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 2xi3_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL VTPCAAEEQK LPINALSNSL LRHHNLVYST TSRSACQRQK DATA SEQUENCE KVTFDRLQVL DSHYHDVLKE VKAAASKVKA NLLSVEEACS LTPPHSAKSK DATA SEQUENCE FGYGAKDVRC HARKAVAHIN SVWKDLLEDS VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS KLPLAVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVQAWKS KKTPMGFSYD TRCFDSTVTE SDIRTEEAIY QCCDLDPQAR DATA SEQUENCE VAIKSLTERL YVGGPLTNSR GENCGYRRCR ASGVLTTSCG NTLTCYIKAR DATA SEQUENCE AACRAAGLQD CTMLVCGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDGAGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMFAPTLW ARMILMTHFF SVLIARDQLE QALNCEIYGA DATA SEQUENCE CYSIEPLDLP PIIQRLHGLS AFSLHSYSPG EINRVAACLR KLGVPPLRAW DATA SEQUENCE RHRARSVRAR LLSRGGRAAI CGKYLFNWAV RTKLKLTPIA AAGRLDLSGW DATA SEQUENCE FTAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.052 0.000 1.055 1 S CA 0.000 58.177 58.200 -0.039 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 2 M N 3.357 122.918 119.600 -0.065 0.000 2.217 2 M HA 0.246 4.726 4.480 -0.001 0.000 0.354 2 M C 1.946 178.131 176.300 -0.193 0.000 1.225 2 M CA 0.038 55.285 55.300 -0.089 0.000 1.137 2 M CB 0.605 33.169 32.600 -0.060 0.000 1.576 2 M HN 0.784 nan 8.290 nan 0.000 0.461 3 S N 2.545 118.069 115.700 -0.295 0.000 2.382 3 S HA -0.090 4.380 4.470 -0.001 0.000 0.228 3 S C 0.129 174.302 174.600 -0.712 0.000 1.027 3 S CA 0.957 58.859 58.200 -0.497 0.000 0.991 3 S CB -0.206 62.618 63.200 -0.627 0.000 0.823 3 S HN 0.641 nan 8.310 nan 0.000 0.469 4 Y N 0.971 121.081 120.300 -0.317 0.000 2.562 4 Y HA 0.585 5.134 4.550 -0.001 0.000 0.345 4 Y C -0.134 175.422 175.900 -0.572 0.000 1.045 4 Y CA -0.950 56.821 58.100 -0.547 0.000 1.028 4 Y CB 2.048 39.950 38.460 -0.931 0.000 1.297 4 Y HN 0.204 nan 8.280 nan 0.000 0.463 5 S N 0.099 115.539 115.700 -0.434 0.000 2.537 5 S HA 0.767 5.237 4.470 -0.001 0.000 0.301 5 S C -1.499 172.805 174.600 -0.493 0.000 1.092 5 S CA -0.796 57.203 58.200 -0.335 0.000 1.048 5 S CB 1.249 64.376 63.200 -0.121 0.000 1.053 5 S HN 0.610 nan 8.310 nan 0.000 0.501 6 W N 0.295 121.646 121.300 0.085 0.000 2.844 6 W HA 0.470 5.129 4.660 -0.001 0.000 0.340 6 W C 1.220 177.765 176.519 0.043 0.000 1.093 6 W CA -0.633 56.747 57.345 0.058 0.000 1.212 6 W CB 2.178 31.656 29.460 0.029 0.000 1.422 6 W HN 0.865 nan 8.180 nan 0.000 0.515 7 T N -2.293 112.440 114.554 0.298 0.000 3.057 7 T HA 0.329 4.678 4.350 -0.001 0.000 0.254 7 T C 1.396 176.178 174.700 0.137 0.000 1.094 7 T CA 0.835 63.038 62.100 0.170 0.000 1.088 7 T CB 0.131 69.077 68.868 0.130 0.000 0.934 7 T HN 1.194 nan 8.240 nan 0.000 0.497 8 G N 1.257 110.145 108.800 0.147 0.000 2.253 8 G HA2 0.029 3.988 3.960 -0.001 0.000 0.209 8 G HA3 0.029 3.988 3.960 -0.001 0.000 0.209 8 G C 0.394 175.314 174.900 0.034 0.000 0.997 8 G CA -0.164 44.976 45.100 0.067 0.000 0.640 8 G HN 1.094 nan 8.290 nan 0.000 0.496 9 A N 0.750 123.604 122.820 0.057 0.000 2.483 9 A HA 0.611 4.931 4.320 -0.001 0.000 0.238 9 A C 0.717 178.300 177.584 -0.000 0.000 1.070 9 A CA 0.370 52.428 52.037 0.034 0.000 0.770 9 A CB 0.173 19.205 19.000 0.052 0.000 1.008 9 A HN 0.911 nan 8.150 nan 0.000 0.497 10 L N 1.896 123.108 121.223 -0.018 0.000 2.375 10 L HA 0.288 4.627 4.340 -0.001 0.000 0.271 10 L C -0.079 176.768 176.870 -0.039 0.000 1.107 10 L CA -0.848 53.963 54.840 -0.048 0.000 0.806 10 L CB 1.266 43.301 42.059 -0.040 0.000 1.146 10 L HN 0.435 nan 8.230 nan 0.000 0.447 11 V N 1.463 121.336 119.914 -0.068 0.000 2.446 11 V HA 0.118 4.238 4.120 -0.001 0.000 0.276 11 V C 0.592 176.673 176.094 -0.022 0.000 1.030 11 V CA -0.217 62.057 62.300 -0.042 0.000 1.033 11 V CB 0.497 32.280 31.823 -0.067 0.000 0.993 11 V HN 0.903 nan 8.190 nan 0.000 0.477 12 T N 4.961 119.513 114.554 -0.005 0.000 2.925 12 T HA 0.672 5.022 4.350 -0.001 0.000 0.285 12 T C -2.616 172.094 174.700 0.017 0.000 1.021 12 T CA -2.192 59.910 62.100 0.003 0.000 1.042 12 T CB 2.174 71.044 68.868 0.003 0.000 1.037 12 T HN 0.451 nan 8.240 nan 0.000 0.481 13 P HA 0.274 nan 4.420 nan 0.000 0.276 13 P C 0.764 178.082 177.300 0.031 0.000 1.252 13 P CA -0.794 62.325 63.100 0.031 0.000 0.802 13 P CB 0.609 32.328 31.700 0.032 0.000 1.035 14 C N -1.014 118.310 119.300 0.039 0.000 2.906 14 C HA 0.797 5.256 4.460 -0.001 0.000 0.274 14 C C 0.696 175.704 174.990 0.030 0.000 1.257 14 C CA -0.020 59.019 59.018 0.034 0.000 1.695 14 C CB -1.159 26.608 27.740 0.046 0.000 1.958 14 C HN 0.693 nan 8.230 nan 0.000 0.619 15 A N 0.150 122.990 122.820 0.034 0.000 2.564 15 A HA 0.789 5.108 4.320 -0.001 0.000 0.291 15 A C -0.376 177.233 177.584 0.041 0.000 1.102 15 A CA 0.019 52.077 52.037 0.035 0.000 0.660 15 A CB -0.253 18.769 19.000 0.036 0.000 1.283 15 A HN 1.417 nan 8.150 nan 0.000 0.430 16 A N 0.029 122.875 122.820 0.045 0.000 2.531 16 A HA 0.500 4.819 4.320 -0.001 0.000 0.236 16 A C -0.005 177.621 177.584 0.070 0.000 1.062 16 A CA 0.588 52.657 52.037 0.054 0.000 0.760 16 A CB -0.272 18.760 19.000 0.053 0.000 0.995 16 A HN 0.614 nan 8.150 nan 0.000 0.501 17 E N 1.431 121.678 120.200 0.079 0.000 2.185 17 E HA 0.282 4.631 4.350 -0.001 0.000 0.261 17 E C -1.071 175.612 176.600 0.139 0.000 0.879 17 E CA -0.383 56.078 56.400 0.102 0.000 0.756 17 E CB 1.663 31.411 29.700 0.080 0.000 1.152 17 E HN 0.756 nan 8.360 nan 0.000 0.416 18 E N 2.032 122.359 120.200 0.211 0.000 2.313 18 E HA 0.027 4.376 4.350 -0.001 0.000 0.276 18 E C 0.395 177.210 176.600 0.357 0.000 1.031 18 E CA 0.019 56.585 56.400 0.277 0.000 0.857 18 E CB 1.550 31.449 29.700 0.332 0.000 1.040 18 E HN 0.485 nan 8.360 nan 0.000 0.408 19 Q N 2.596 122.577 119.800 0.301 0.000 2.387 19 Q HA 0.046 4.385 4.340 -0.001 0.000 0.212 19 Q C -0.224 176.026 176.000 0.418 0.000 0.925 19 Q CA 0.602 56.587 55.803 0.303 0.000 0.901 19 Q CB 0.555 29.411 28.738 0.198 0.000 1.020 19 Q HN 0.267 nan 8.270 nan 0.000 0.545 20 K N 1.029 121.637 120.400 0.347 0.000 2.110 20 K HA 0.225 4.544 4.320 -0.001 0.000 0.263 20 K C -0.901 175.843 176.600 0.240 0.000 0.975 20 K CA -0.731 55.749 56.287 0.321 0.000 0.895 20 K CB 1.453 34.072 32.500 0.200 0.000 1.060 20 K HN 0.030 nan 8.250 nan 0.000 0.448 21 L N 4.532 125.907 121.223 0.254 0.000 2.660 21 L HA 0.055 4.394 4.340 -0.001 0.000 0.272 21 L C -2.364 174.359 176.870 -0.245 0.000 1.194 21 L CA -0.852 53.934 54.840 -0.090 0.000 0.945 21 L CB -0.323 41.822 42.059 0.143 0.000 1.212 21 L HN 0.424 nan 8.230 nan 0.000 0.490 22 P HA 0.148 nan 4.420 nan 0.000 0.269 22 P C -0.420 176.716 177.300 -0.273 0.000 1.209 22 P CA -0.033 62.864 63.100 -0.338 0.000 0.776 22 P CB 0.451 31.911 31.700 -0.400 0.000 0.876 23 I N 2.964 123.392 120.570 -0.236 0.000 2.474 23 I HA 0.225 4.394 4.170 -0.001 0.000 0.287 23 I C 0.665 176.688 176.117 -0.156 0.000 1.048 23 I CA 0.134 61.294 61.300 -0.233 0.000 1.383 23 I CB 0.395 38.242 38.000 -0.255 0.000 1.412 23 I HN 0.441 nan 8.210 nan 0.000 0.531 24 N N 4.189 122.814 118.700 -0.125 0.000 2.521 24 N HA 0.202 4.941 4.740 -0.001 0.000 0.269 24 N C 0.046 175.522 175.510 -0.056 0.000 1.079 24 N CA -0.243 52.757 53.050 -0.083 0.000 0.980 24 N CB 1.974 40.411 38.487 -0.082 0.000 1.667 24 N HN 0.632 nan 8.380 nan 0.000 0.498 25 A N 3.755 126.550 122.820 -0.042 0.000 1.883 25 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 25 A C 2.005 179.582 177.584 -0.012 0.000 1.186 25 A CA 1.213 53.232 52.037 -0.029 0.000 0.624 25 A CB -0.526 18.456 19.000 -0.029 0.000 0.822 25 A HN 0.676 nan 8.150 nan 0.000 0.444 26 L N 0.343 121.563 121.223 -0.006 0.000 2.093 26 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 26 L C 3.053 179.978 176.870 0.092 0.000 1.085 26 L CA 1.559 56.415 54.840 0.027 0.000 0.755 26 L CB -0.436 41.616 42.059 -0.013 0.000 0.904 26 L HN 0.641 nan 8.230 nan 0.000 0.435 27 S N -0.780 114.944 115.700 0.041 0.000 2.383 27 S HA -0.222 4.248 4.470 -0.001 0.000 0.227 27 S C 1.784 176.387 174.600 0.005 0.000 1.026 27 S CA 1.308 59.525 58.200 0.029 0.000 0.981 27 S CB -0.677 62.520 63.200 -0.007 0.000 0.818 27 S HN 0.491 nan 8.310 nan 0.000 0.472 28 N N 1.909 120.610 118.700 0.001 0.000 2.309 28 N HA -0.141 4.598 4.740 -0.001 0.000 0.182 28 N C 1.830 177.343 175.510 0.004 0.000 1.018 28 N CA 1.520 54.575 53.050 0.008 0.000 0.876 28 N CB -0.279 38.207 38.487 -0.001 0.000 0.972 28 N HN 0.677 nan 8.380 nan 0.000 0.434 29 S N 0.251 115.957 115.700 0.010 0.000 2.447 29 S HA -0.106 4.363 4.470 -0.001 0.000 0.233 29 S C 1.964 176.576 174.600 0.019 0.000 1.006 29 S CA 0.386 58.582 58.200 -0.007 0.000 0.957 29 S CB -0.246 62.960 63.200 0.009 0.000 0.773 29 S HN 0.294 nan 8.310 nan 0.000 0.507 30 L N 0.962 122.187 121.223 0.003 0.000 2.084 30 L HA 0.453 4.793 4.340 -0.001 0.000 0.202 30 L C 0.092 176.997 176.870 0.057 0.000 1.074 30 L CA 1.138 55.970 54.840 -0.013 0.000 0.757 30 L CB -0.355 41.377 42.059 -0.544 0.000 0.918 30 L HN 0.626 nan 8.230 nan 0.000 0.444 31 L N -3.337 117.886 121.223 -0.001 0.000 2.482 31 L HA 0.522 4.862 4.340 -0.001 0.000 0.263 31 L C 0.118 177.001 176.870 0.022 0.000 0.957 31 L CA -0.389 54.452 54.840 0.001 0.000 0.836 31 L CB 1.802 43.864 42.059 0.006 0.000 1.324 31 L HN -0.007 nan 8.230 nan 0.000 0.406 32 R N 0.324 120.810 120.500 -0.023 0.000 2.308 32 R HA 0.252 4.591 4.340 -0.001 0.000 0.202 32 R C -0.141 176.268 176.300 0.181 0.000 0.898 32 R CA 0.118 56.261 56.100 0.072 0.000 1.046 32 R CB 0.080 30.399 30.300 0.031 0.000 1.026 32 R HN 0.743 nan 8.270 nan 0.000 0.512 33 H N 1.201 120.291 119.070 0.033 0.000 2.799 33 H HA 0.025 4.580 4.556 -0.001 0.000 0.225 33 H C 0.702 176.001 175.328 -0.049 0.000 1.904 33 H CA -0.423 55.596 56.048 -0.048 0.000 1.344 33 H CB 0.022 29.773 29.762 -0.018 0.000 1.744 33 H HN 0.413 nan 8.280 nan 0.000 0.542 34 H N -1.075 118.090 119.070 0.157 0.000 2.491 34 H HA -0.054 4.501 4.556 -0.001 0.000 0.290 34 H C 1.373 176.780 175.328 0.132 0.000 1.050 34 H CA 0.571 56.690 56.048 0.119 0.000 1.309 34 H CB 0.055 29.859 29.762 0.070 0.000 1.392 34 H HN 0.318 nan 8.280 nan 0.000 0.554 35 N N 0.635 119.235 118.700 -0.166 0.000 2.520 35 N HA -0.042 4.697 4.740 -0.001 0.000 0.185 35 N C 1.241 176.802 175.510 0.086 0.000 1.068 35 N CA 0.685 53.729 53.050 -0.010 0.000 0.911 35 N CB 0.110 38.530 38.487 -0.112 0.000 0.961 35 N HN 0.479 nan 8.380 nan 0.000 0.446 36 L N -0.070 121.219 121.223 0.111 0.000 2.509 36 L HA 0.130 4.470 4.340 -0.001 0.000 0.222 36 L C 0.170 177.202 176.870 0.270 0.000 1.123 36 L CA 0.170 55.108 54.840 0.165 0.000 0.856 36 L CB 0.279 42.423 42.059 0.141 0.000 0.985 36 L HN -0.176 nan 8.230 nan 0.000 0.456 37 V N 0.425 120.506 119.914 0.278 0.000 2.398 37 V HA 0.300 4.420 4.120 -0.001 0.000 0.286 37 V C -0.616 175.721 176.094 0.405 0.000 1.026 37 V CA -0.650 61.826 62.300 0.294 0.000 0.868 37 V CB 0.837 32.816 31.823 0.260 0.000 0.982 37 V HN 0.186 nan 8.190 nan 0.000 0.443 38 Y N 2.061 122.506 120.300 0.242 0.000 2.581 38 Y HA 0.820 5.369 4.550 -0.001 0.000 0.345 38 Y C -0.313 175.642 175.900 0.092 0.000 1.036 38 Y CA -1.143 57.098 58.100 0.234 0.000 1.042 38 Y CB 1.901 40.464 38.460 0.171 0.000 1.289 38 Y HN 0.426 nan 8.280 nan 0.000 0.471 39 S N 1.372 117.111 115.700 0.066 0.000 2.475 39 S HA 0.499 4.968 4.470 -0.001 0.000 0.298 39 S C -0.376 174.305 174.600 0.134 0.000 1.119 39 S CA -0.315 57.752 58.200 -0.221 0.000 1.085 39 S CB 0.517 63.375 63.200 -0.570 0.000 1.028 39 S HN 1.037 nan 8.310 nan 0.000 0.489 40 T N 2.009 116.640 114.554 0.129 0.000 2.926 40 T HA 0.510 4.859 4.350 -0.001 0.000 0.307 40 T C 0.407 175.166 174.700 0.098 0.000 1.059 40 T CA -0.182 62.041 62.100 0.205 0.000 1.122 40 T CB 0.621 69.623 68.868 0.224 0.000 0.972 40 T HN 0.831 nan 8.240 nan 0.000 0.545 41 T N -1.871 112.741 114.554 0.097 0.000 2.812 41 T HA 0.486 4.835 4.350 -0.001 0.000 0.294 41 T C 1.397 176.124 174.700 0.046 0.000 1.159 41 T CA -0.240 61.898 62.100 0.064 0.000 1.008 41 T CB 1.184 70.095 68.868 0.072 0.000 1.289 41 T HN 0.757 nan 8.240 nan 0.000 0.514 42 S N 0.158 115.878 115.700 0.033 0.000 2.440 42 S HA -0.145 4.325 4.470 -0.001 0.000 0.238 42 S C 1.771 176.371 174.600 0.000 0.000 1.010 42 S CA 0.595 58.804 58.200 0.014 0.000 0.972 42 S CB -0.747 62.460 63.200 0.013 0.000 0.774 42 S HN 0.736 nan 8.310 nan 0.000 0.501 43 R N 1.645 122.152 120.500 0.012 0.000 2.200 43 R HA -0.033 4.306 4.340 -0.001 0.000 0.234 43 R C 1.995 178.287 176.300 -0.013 0.000 1.127 43 R CA 1.464 57.565 56.100 0.001 0.000 0.989 43 R CB -0.506 29.803 30.300 0.014 0.000 0.869 43 R HN 0.726 nan 8.270 nan 0.000 0.459 44 S N -0.896 114.799 115.700 -0.008 0.000 2.572 44 S HA 0.296 4.765 4.470 -0.001 0.000 0.228 44 S C 1.640 176.214 174.600 -0.043 0.000 0.963 44 S CA 0.050 58.237 58.200 -0.021 0.000 0.939 44 S CB 1.001 64.200 63.200 -0.003 0.000 0.804 44 S HN 0.264 nan 8.310 nan 0.000 0.480 45 A N 1.089 123.875 122.820 -0.056 0.000 1.933 45 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 45 A C 2.271 179.757 177.584 -0.163 0.000 1.175 45 A CA 1.546 53.525 52.037 -0.096 0.000 0.628 45 A CB -1.502 17.438 19.000 -0.100 0.000 0.814 45 A HN 0.701 nan 8.150 nan 0.000 0.444 46 C N -1.021 118.183 119.300 -0.160 0.000 2.413 46 C HA -0.145 4.315 4.460 -0.001 0.000 0.277 46 C C 2.821 177.711 174.990 -0.166 0.000 1.265 46 C CA 1.317 60.213 59.018 -0.203 0.000 1.752 46 C CB -1.285 26.364 27.740 -0.151 0.000 1.998 46 C HN 0.763 nan 8.230 nan 0.000 0.489 47 Q N 0.558 120.295 119.800 -0.105 0.000 2.084 47 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 47 Q C 2.400 178.363 176.000 -0.061 0.000 0.978 47 Q CA 1.562 57.323 55.803 -0.070 0.000 0.844 47 Q CB -0.136 28.573 28.738 -0.048 0.000 0.898 47 Q HN 0.528 nan 8.270 nan 0.000 0.426 48 R N 0.489 120.946 120.500 -0.071 0.000 2.075 48 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 48 R C 2.054 178.311 176.300 -0.072 0.000 1.126 48 R CA 1.869 57.943 56.100 -0.044 0.000 0.963 48 R CB -0.259 30.021 30.300 -0.034 0.000 0.858 48 R HN 0.348 nan 8.270 nan 0.000 0.435 49 Q N 0.048 119.723 119.800 -0.208 0.000 2.112 49 Q HA -0.225 4.114 4.340 -0.001 0.000 0.206 49 Q C 1.957 177.889 176.000 -0.112 0.000 0.987 49 Q CA 2.121 57.713 55.803 -0.351 0.000 0.858 49 Q CB -0.191 28.022 28.738 -0.874 0.000 0.905 49 Q HN 0.311 nan 8.270 nan 0.000 0.420 50 K N 1.078 121.427 120.400 -0.085 0.000 2.057 50 K HA -0.184 4.136 4.320 -0.001 0.000 0.206 50 K C 2.021 178.697 176.600 0.126 0.000 1.050 50 K CA 1.235 57.541 56.287 0.031 0.000 0.935 50 K CB 0.037 32.539 32.500 0.003 0.000 0.715 50 K HN -0.045 nan 8.250 nan 0.000 0.439 51 K N 0.529 120.992 120.400 0.106 0.000 2.057 51 K HA -0.090 4.229 4.320 -0.001 0.000 0.206 51 K C 1.717 178.499 176.600 0.303 0.000 1.050 51 K CA 1.478 57.864 56.287 0.166 0.000 0.935 51 K CB 0.117 32.683 32.500 0.109 0.000 0.715 51 K HN 0.217 nan 8.250 nan 0.000 0.439 52 V N -1.266 118.807 119.914 0.264 0.000 3.623 52 V HA 0.099 4.219 4.120 -0.001 0.000 0.271 52 V C 0.105 176.330 176.094 0.219 0.000 1.248 52 V CA 0.199 62.686 62.300 0.310 0.000 1.156 52 V CB 0.076 32.047 31.823 0.248 0.000 0.870 52 V HN -0.005 nan 8.190 nan 0.000 0.453 53 T N 4.276 119.009 114.554 0.299 0.000 2.770 53 T HA 0.731 5.080 4.350 -0.001 0.000 0.297 53 T C -0.761 174.080 174.700 0.235 0.000 0.997 53 T CA -0.053 62.194 62.100 0.245 0.000 0.949 53 T CB 0.361 69.503 68.868 0.457 0.000 0.941 53 T HN 0.626 nan 8.240 nan 0.000 0.457 54 F N -0.216 119.827 119.950 0.155 0.000 2.773 54 F HA 0.653 5.179 4.527 -0.001 0.000 0.314 54 F C -1.102 174.728 175.800 0.050 0.000 1.160 54 F CA -1.699 56.355 58.000 0.091 0.000 0.920 54 F CB 0.587 39.633 39.000 0.077 0.000 1.323 54 F HN 0.200 nan 8.300 nan 0.000 0.457 55 D N 0.631 121.217 120.400 0.311 0.000 2.302 55 D HA 0.439 5.078 4.640 -0.001 0.000 0.248 55 D C -0.886 175.560 176.300 0.244 0.000 1.094 55 D CA -0.041 54.064 54.000 0.175 0.000 0.897 55 D CB 0.925 41.793 40.800 0.113 0.000 1.200 55 D HN 0.563 nan 8.370 nan 0.000 0.429 56 R N 2.272 122.849 120.500 0.128 0.000 2.310 56 R HA 0.448 4.788 4.340 -0.001 0.000 0.324 56 R C -0.934 175.396 176.300 0.051 0.000 0.955 56 R CA -0.834 55.338 56.100 0.119 0.000 0.830 56 R CB 1.087 31.427 30.300 0.066 0.000 1.154 56 R HN 0.324 nan 8.270 nan 0.000 0.458 57 L N 2.122 123.371 121.223 0.042 0.000 2.295 57 L HA 0.467 4.806 4.340 -0.001 0.000 0.285 57 L C -0.863 176.005 176.870 -0.003 0.000 1.035 57 L CA 0.098 54.944 54.840 0.011 0.000 0.806 57 L CB 1.352 43.414 42.059 0.005 0.000 1.214 57 L HN 0.638 nan 8.230 nan 0.000 0.426 58 Q N 3.848 123.638 119.800 -0.017 0.000 2.274 58 Q HA 0.652 4.991 4.340 -0.001 0.000 0.268 58 Q C -2.068 173.910 176.000 -0.038 0.000 1.015 58 Q CA -0.636 55.149 55.803 -0.031 0.000 0.775 58 Q CB 2.080 30.788 28.738 -0.051 0.000 1.256 58 Q HN 0.575 nan 8.270 nan 0.000 0.442 59 V N 5.458 125.354 119.914 -0.030 0.000 2.443 59 V HA 0.455 4.575 4.120 -0.001 0.000 0.293 59 V C -0.438 175.657 176.094 0.002 0.000 1.021 59 V CA -0.646 61.640 62.300 -0.023 0.000 0.848 59 V CB 1.492 33.300 31.823 -0.024 0.000 0.998 59 V HN 0.739 nan 8.190 nan 0.000 0.424 60 L N 5.108 126.303 121.223 -0.046 0.000 2.322 60 L HA 0.713 5.052 4.340 -0.001 0.000 0.279 60 L C -0.190 176.722 176.870 0.069 0.000 1.036 60 L CA -0.452 54.313 54.840 -0.126 0.000 0.807 60 L CB 1.729 43.501 42.059 -0.479 0.000 1.226 60 L HN 0.772 nan 8.230 nan 0.000 0.433 61 D N -0.363 120.134 120.400 0.163 0.000 2.727 61 D HA 0.202 4.842 4.640 -0.001 0.000 0.264 61 D C 0.764 177.203 176.300 0.233 0.000 1.101 61 D CA -0.219 53.897 54.000 0.193 0.000 1.122 61 D CB 0.909 41.803 40.800 0.157 0.000 1.390 61 D HN 0.405 nan 8.370 nan 0.000 0.606 62 S N -1.034 114.736 115.700 0.117 0.000 2.382 62 S HA -0.235 4.235 4.470 -0.001 0.000 0.228 62 S C 1.603 176.243 174.600 0.065 0.000 1.027 62 S CA 0.996 59.241 58.200 0.075 0.000 0.991 62 S CB -0.881 62.281 63.200 -0.063 0.000 0.823 62 S HN 0.500 nan 8.310 nan 0.000 0.469 63 H N 0.026 119.175 119.070 0.131 0.000 2.353 63 H HA -0.054 4.501 4.556 -0.001 0.000 0.300 63 H C 1.966 177.310 175.328 0.026 0.000 1.090 63 H CA 1.740 57.841 56.048 0.088 0.000 1.327 63 H CB -0.927 28.905 29.762 0.117 0.000 1.383 63 H HN 0.665 nan 8.280 nan 0.000 0.508 64 Y N 1.490 121.792 120.300 0.005 0.000 2.128 64 Y HA -0.265 4.285 4.550 -0.001 0.000 0.284 64 Y C 2.732 178.476 175.900 -0.259 0.000 1.154 64 Y CA 1.756 59.675 58.100 -0.302 0.000 1.149 64 Y CB -0.277 37.836 38.460 -0.578 0.000 0.976 64 Y HN 0.242 nan 8.280 nan 0.000 0.505 65 H N -0.278 118.861 119.070 0.114 0.000 2.389 65 H HA -0.132 4.423 4.556 -0.001 0.000 0.299 65 H C 1.689 176.986 175.328 -0.053 0.000 1.081 65 H CA 1.566 57.632 56.048 0.031 0.000 1.345 65 H CB -0.288 29.529 29.762 0.092 0.000 1.393 65 H HN 0.470 nan 8.280 nan 0.000 0.520 66 D N 0.315 120.760 120.400 0.076 0.000 2.117 66 D HA -0.107 4.532 4.640 -0.001 0.000 0.197 66 D C 2.412 178.694 176.300 -0.030 0.000 0.987 66 D CA 0.606 54.628 54.000 0.038 0.000 0.829 66 D CB -0.261 40.583 40.800 0.074 0.000 0.961 66 D HN 0.125 nan 8.370 nan 0.000 0.460 67 V N 1.042 120.891 119.914 -0.108 0.000 2.358 67 V HA -0.183 3.936 4.120 -0.001 0.000 0.246 67 V C 2.424 178.404 176.094 -0.189 0.000 1.047 67 V CA 0.872 63.074 62.300 -0.164 0.000 1.035 67 V CB -0.390 31.276 31.823 -0.263 0.000 0.658 67 V HN 0.131 nan 8.190 nan 0.000 0.452 68 L N 0.251 121.290 121.223 -0.307 0.000 2.083 68 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 68 L C 2.369 179.183 176.870 -0.094 0.000 1.083 68 L CA 1.922 56.611 54.840 -0.252 0.000 0.752 68 L CB -0.761 41.107 42.059 -0.319 0.000 0.899 68 L HN 0.222 nan 8.230 nan 0.000 0.433 69 K N -0.415 119.955 120.400 -0.049 0.000 2.057 69 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 69 K C 1.935 178.529 176.600 -0.010 0.000 1.049 69 K CA 1.907 58.186 56.287 -0.013 0.000 0.931 69 K CB -0.203 32.301 32.500 0.006 0.000 0.714 69 K HN 0.506 nan 8.250 nan 0.000 0.440 70 E N 0.490 120.684 120.200 -0.011 0.000 2.058 70 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 70 E C 2.093 178.701 176.600 0.014 0.000 0.997 70 E CA 1.269 57.674 56.400 0.009 0.000 0.801 70 E CB -0.098 29.615 29.700 0.022 0.000 0.746 70 E HN 0.025 nan 8.360 nan 0.000 0.450 71 V N 1.534 121.454 119.914 0.010 0.000 2.295 71 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 71 V C 2.147 178.236 176.094 -0.009 0.000 1.049 71 V CA 1.820 64.128 62.300 0.014 0.000 1.024 71 V CB -0.370 31.463 31.823 0.017 0.000 0.648 71 V HN 0.197 nan 8.190 nan 0.000 0.447 72 K N 0.059 120.449 120.400 -0.016 0.000 2.057 72 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 72 K C 2.321 178.918 176.600 -0.005 0.000 1.049 72 K CA 1.440 57.719 56.287 -0.012 0.000 0.931 72 K CB -0.446 32.047 32.500 -0.011 0.000 0.714 72 K HN 0.473 nan 8.250 nan 0.000 0.440 73 A N 1.595 124.413 122.820 -0.002 0.000 1.908 73 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 73 A C 2.376 179.959 177.584 -0.002 0.000 1.181 73 A CA 2.076 54.113 52.037 0.001 0.000 0.627 73 A CB -0.740 18.263 19.000 0.004 0.000 0.818 73 A HN 0.360 nan 8.150 nan 0.000 0.445 74 A N -0.376 122.441 122.820 -0.005 0.000 1.930 74 A HA 0.227 4.547 4.320 -0.001 0.000 0.217 74 A C 2.469 180.041 177.584 -0.021 0.000 1.175 74 A CA 1.857 53.885 52.037 -0.014 0.000 0.627 74 A CB -0.944 18.043 19.000 -0.021 0.000 0.815 74 A HN 1.101 nan 8.150 nan 0.000 0.443 75 A N 0.505 123.314 122.820 -0.018 0.000 2.019 75 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 75 A C 2.348 179.931 177.584 -0.002 0.000 1.164 75 A CA 2.058 54.087 52.037 -0.012 0.000 0.644 75 A CB -0.924 18.076 19.000 0.000 0.000 0.805 75 A HN 1.046 nan 8.150 nan 0.000 0.449 76 S N -0.578 115.122 115.700 0.001 0.000 2.547 76 S HA -0.043 4.426 4.470 -0.001 0.000 0.235 76 S C 1.390 175.991 174.600 0.002 0.000 0.980 76 S CA 0.923 59.127 58.200 0.005 0.000 0.941 76 S CB -0.147 63.056 63.200 0.006 0.000 0.763 76 S HN 0.482 nan 8.310 nan 0.000 0.532 77 K N 1.035 121.432 120.400 -0.004 0.000 2.418 77 K HA 0.258 4.577 4.320 -0.001 0.000 0.195 77 K C 0.206 176.801 176.600 -0.008 0.000 1.035 77 K CA 0.107 56.390 56.287 -0.007 0.000 1.003 77 K CB -0.122 32.371 32.500 -0.012 0.000 0.793 77 K HN 0.337 nan 8.250 nan 0.000 0.494 78 V N 2.360 122.269 119.914 -0.008 0.000 2.498 78 V HA 0.145 4.264 4.120 -0.001 0.000 0.279 78 V C 0.190 176.284 176.094 -0.000 0.000 1.048 78 V CA -0.623 61.671 62.300 -0.011 0.000 0.967 78 V CB 1.313 33.126 31.823 -0.017 0.000 0.988 78 V HN 0.042 nan 8.190 nan 0.000 0.473 79 K N 3.729 124.128 120.400 -0.001 0.000 2.307 79 K HA 0.767 5.086 4.320 -0.001 0.000 0.263 79 K C -0.696 175.908 176.600 0.006 0.000 0.973 79 K CA -0.410 55.881 56.287 0.006 0.000 0.846 79 K CB 1.497 34.001 32.500 0.007 0.000 1.100 79 K HN 0.825 nan 8.250 nan 0.000 0.438 80 A N 4.054 126.882 122.820 0.013 0.000 2.374 80 A HA 0.515 4.834 4.320 -0.001 0.000 0.317 80 A C -1.243 176.358 177.584 0.028 0.000 1.094 80 A CA -0.954 51.091 52.037 0.014 0.000 0.765 80 A CB 1.007 20.010 19.000 0.005 0.000 1.268 80 A HN 0.918 nan 8.150 nan 0.000 0.438 81 N N 0.126 118.846 118.700 0.033 0.000 2.404 81 N HA 0.580 5.319 4.740 -0.001 0.000 0.297 81 N C -0.799 174.740 175.510 0.048 0.000 1.163 81 N CA -0.704 52.368 53.050 0.038 0.000 0.864 81 N CB 1.454 39.958 38.487 0.029 0.000 1.247 81 N HN 0.612 nan 8.380 nan 0.000 0.510 82 L N 1.550 122.798 121.223 0.042 0.000 2.461 82 L HA 0.119 4.458 4.340 -0.001 0.000 0.272 82 L C -0.467 176.398 176.870 -0.009 0.000 1.197 82 L CA -0.257 54.599 54.840 0.026 0.000 0.836 82 L CB 0.259 42.324 42.059 0.009 0.000 1.105 82 L HN 0.290 nan 8.230 nan 0.000 0.477 83 L N 2.064 123.267 121.223 -0.034 0.000 2.334 83 L HA 0.255 4.594 4.340 -0.001 0.000 0.277 83 L C 0.483 177.262 176.870 -0.152 0.000 1.075 83 L CA 0.304 55.104 54.840 -0.067 0.000 0.804 83 L CB 1.632 43.660 42.059 -0.052 0.000 1.174 83 L HN 0.714 nan 8.230 nan 0.000 0.438 84 S N 1.615 117.233 115.700 -0.137 0.000 2.589 84 S HA 0.161 4.630 4.470 -0.001 0.000 0.265 84 S C 1.338 175.823 174.600 -0.192 0.000 1.342 84 S CA -0.657 57.439 58.200 -0.173 0.000 1.005 84 S CB 0.746 63.866 63.200 -0.132 0.000 0.909 84 S HN 0.343 nan 8.310 nan 0.000 0.555 85 V N 1.857 121.640 119.914 -0.217 0.000 2.287 85 V HA -0.183 3.936 4.120 -0.001 0.000 0.248 85 V C 2.633 178.673 176.094 -0.091 0.000 1.053 85 V CA 2.455 64.648 62.300 -0.178 0.000 1.027 85 V CB -1.387 30.334 31.823 -0.170 0.000 0.646 85 V HN 0.872 nan 8.190 nan 0.000 0.447 86 E N 0.234 120.372 120.200 -0.103 0.000 2.058 86 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 86 E C 2.182 178.788 176.600 0.009 0.000 0.997 86 E CA 1.624 57.979 56.400 -0.076 0.000 0.801 86 E CB -0.344 29.214 29.700 -0.236 0.000 0.746 86 E HN 0.681 nan 8.360 nan 0.000 0.450 87 E N 0.076 120.239 120.200 -0.061 0.000 2.077 87 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 87 E C 2.027 178.566 176.600 -0.102 0.000 0.989 87 E CA 0.997 57.354 56.400 -0.072 0.000 0.800 87 E CB -0.165 29.482 29.700 -0.090 0.000 0.746 87 E HN 0.286 nan 8.360 nan 0.000 0.452 88 A N 0.647 123.400 122.820 -0.110 0.000 1.930 88 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 88 A C 2.400 179.923 177.584 -0.101 0.000 1.175 88 A CA 0.979 52.938 52.037 -0.129 0.000 0.627 88 A CB -0.772 18.160 19.000 -0.114 0.000 0.815 88 A HN 0.352 nan 8.150 nan 0.000 0.443 89 C N -0.664 118.605 119.300 -0.052 0.000 2.413 89 C HA -0.086 4.373 4.460 -0.001 0.000 0.276 89 C C 3.158 178.086 174.990 -0.104 0.000 1.248 89 C CA 1.494 60.474 59.018 -0.063 0.000 1.742 89 C CB -1.234 26.499 27.740 -0.012 0.000 2.017 89 C HN 0.590 nan 8.230 nan 0.000 0.481 90 S N 0.445 116.114 115.700 -0.052 0.000 2.474 90 S HA 0.041 4.510 4.470 -0.001 0.000 0.235 90 S C 1.409 175.974 174.600 -0.058 0.000 0.997 90 S CA 0.771 58.941 58.200 -0.051 0.000 0.949 90 S CB -0.247 62.958 63.200 0.008 0.000 0.766 90 S HN 0.587 nan 8.310 nan 0.000 0.517 91 L N 1.166 122.316 121.223 -0.121 0.000 2.591 91 L HA 0.088 4.427 4.340 -0.001 0.000 0.228 91 L C 0.274 177.056 176.870 -0.148 0.000 1.133 91 L CA 0.285 55.026 54.840 -0.165 0.000 0.880 91 L CB -0.267 41.593 42.059 -0.332 0.000 1.033 91 L HN 0.100 nan 8.230 nan 0.000 0.450 92 T N 1.685 116.146 114.554 -0.154 0.000 2.794 92 T HA 0.238 4.587 4.350 -0.001 0.000 0.296 92 T C -2.320 172.186 174.700 -0.324 0.000 0.949 92 T CA -1.144 60.837 62.100 -0.199 0.000 1.101 92 T CB 1.141 69.907 68.868 -0.170 0.000 0.905 92 T HN -0.133 nan 8.240 nan 0.000 0.516 93 P HA 0.199 nan 4.420 nan 0.000 0.271 93 P C -1.955 174.941 177.300 -0.674 0.000 1.218 93 P CA -1.584 61.120 63.100 -0.660 0.000 0.780 93 P CB 0.252 31.499 31.700 -0.755 0.000 0.901 94 P HA -0.155 nan 4.420 nan 0.000 0.220 94 P C 0.866 178.025 177.300 -0.236 0.000 1.148 94 P CA 1.521 64.393 63.100 -0.380 0.000 0.803 94 P CB -0.421 31.105 31.700 -0.290 0.000 0.782 95 H N -3.130 115.830 119.070 -0.183 0.000 2.517 95 H HA 0.293 4.848 4.556 -0.001 0.000 0.282 95 H C 0.305 175.554 175.328 -0.132 0.000 1.023 95 H CA -0.208 55.761 56.048 -0.132 0.000 1.169 95 H CB -0.294 29.397 29.762 -0.118 0.000 1.454 95 H HN -0.082 nan 8.280 nan 0.000 0.556 96 S N 0.996 116.475 115.700 -0.367 0.000 2.568 96 S HA 0.346 4.815 4.470 -0.001 0.000 0.282 96 S C 0.577 175.085 174.600 -0.152 0.000 1.338 96 S CA -0.167 57.871 58.200 -0.269 0.000 1.045 96 S CB 0.134 63.178 63.200 -0.261 0.000 0.873 96 S HN 0.672 nan 8.310 nan 0.000 0.516 97 A N 4.549 127.271 122.820 -0.164 0.000 2.546 97 A HA 0.244 4.563 4.320 -0.001 0.000 0.243 97 A C 0.537 178.096 177.584 -0.041 0.000 1.063 97 A CA -0.161 51.818 52.037 -0.096 0.000 0.757 97 A CB -0.216 18.702 19.000 -0.137 0.000 0.991 97 A HN 0.882 nan 8.150 nan 0.000 0.503 98 K N 2.299 122.677 120.400 -0.036 0.000 2.336 98 K HA 0.267 4.587 4.320 -0.001 0.000 0.262 98 K C 0.354 176.888 176.600 -0.109 0.000 0.992 98 K CA 0.185 56.427 56.287 -0.075 0.000 0.927 98 K CB 0.394 32.850 32.500 -0.073 0.000 0.956 98 K HN 0.460 nan 8.250 nan 0.000 0.495 99 S N 0.415 115.946 115.700 -0.282 0.000 2.592 99 S HA 0.077 4.547 4.470 -0.001 0.000 0.271 99 S C 0.548 174.966 174.600 -0.303 0.000 1.326 99 S CA -0.587 57.403 58.200 -0.350 0.000 1.024 99 S CB 0.679 63.304 63.200 -0.959 0.000 0.921 99 S HN 0.694 nan 8.310 nan 0.000 0.527 100 K N 2.091 122.309 120.400 -0.305 0.000 2.486 100 K HA 0.047 4.366 4.320 -0.001 0.000 0.194 100 K C -0.200 175.986 176.600 -0.690 0.000 1.033 100 K CA 0.793 56.779 56.287 -0.502 0.000 1.004 100 K CB -0.069 32.043 32.500 -0.646 0.000 0.798 100 K HN 0.601 nan 8.250 nan 0.000 0.495 101 F N 0.209 119.965 119.950 -0.323 0.000 2.837 101 F HA 0.248 4.774 4.527 -0.001 0.000 0.298 101 F C 1.022 176.714 175.800 -0.180 0.000 1.161 101 F CA -0.364 57.456 58.000 -0.300 0.000 1.353 101 F CB 0.912 39.578 39.000 -0.557 0.000 0.951 101 F HN 0.051 nan 8.300 nan 0.000 0.508 102 G N 0.469 109.215 108.800 -0.089 0.000 2.132 102 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.228 102 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.228 102 G C -0.394 174.582 174.900 0.127 0.000 1.000 102 G CA 0.112 45.225 45.100 0.021 0.000 0.693 102 G HN 0.555 nan 8.290 nan 0.000 0.515 103 Y N -2.675 117.634 120.300 0.015 0.000 2.656 103 Y HA 0.780 5.329 4.550 -0.001 0.000 0.334 103 Y C 0.335 176.244 175.900 0.015 0.000 1.179 103 Y CA -1.019 57.091 58.100 0.016 0.000 1.050 103 Y CB 0.595 39.073 38.460 0.029 0.000 1.308 103 Y HN 0.747 nan 8.280 nan 0.000 0.456 104 G N -0.187 108.715 108.800 0.170 0.000 3.211 104 G HA2 0.548 4.507 3.960 -0.001 0.000 0.262 104 G HA3 0.548 4.507 3.960 -0.001 0.000 0.262 104 G C 0.137 175.101 174.900 0.107 0.000 1.352 104 G CA -0.733 44.401 45.100 0.057 0.000 1.004 104 G HN 1.199 nan 8.290 nan 0.000 0.559 105 A N -0.383 122.441 122.820 0.007 0.000 1.933 105 A HA 0.004 4.323 4.320 -0.001 0.000 0.218 105 A C 2.161 179.701 177.584 -0.073 0.000 1.175 105 A CA 2.003 54.011 52.037 -0.048 0.000 0.628 105 A CB -0.450 18.473 19.000 -0.129 0.000 0.814 105 A HN 0.587 nan 8.150 nan 0.000 0.444 106 K N -0.108 120.256 120.400 -0.059 0.000 2.097 106 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 106 K C 1.402 177.965 176.600 -0.062 0.000 1.049 106 K CA 1.428 57.672 56.287 -0.072 0.000 0.933 106 K CB -0.258 32.215 32.500 -0.045 0.000 0.717 106 K HN 0.469 nan 8.250 nan 0.000 0.442 107 D N 0.654 121.051 120.400 -0.005 0.000 2.117 107 D HA -0.119 4.521 4.640 -0.001 0.000 0.198 107 D C 2.063 178.322 176.300 -0.069 0.000 0.982 107 D CA 1.004 55.001 54.000 -0.005 0.000 0.828 107 D CB -0.173 40.678 40.800 0.085 0.000 0.967 107 D HN -0.043 nan 8.370 nan 0.000 0.464 108 V N 1.436 121.324 119.914 -0.042 0.000 2.295 108 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 108 V C 2.484 178.424 176.094 -0.258 0.000 1.049 108 V CA 1.561 63.797 62.300 -0.107 0.000 1.024 108 V CB -0.394 31.414 31.823 -0.025 0.000 0.648 108 V HN 0.125 nan 8.190 nan 0.000 0.447 109 R N -0.901 119.442 120.500 -0.260 0.000 2.148 109 R HA -0.107 4.233 4.340 -0.001 0.000 0.227 109 R C 1.963 177.959 176.300 -0.507 0.000 1.103 109 R CA 1.587 57.468 56.100 -0.365 0.000 0.983 109 R CB -0.463 29.680 30.300 -0.262 0.000 0.874 109 R HN 0.463 nan 8.270 nan 0.000 0.451 110 C N -0.606 118.490 119.300 -0.339 0.000 2.697 110 C HA 0.170 4.630 4.460 -0.001 0.000 0.267 110 C C -0.061 174.838 174.990 -0.151 0.000 1.278 110 C CA -0.339 58.544 59.018 -0.224 0.000 1.708 110 C CB -1.404 26.282 27.740 -0.090 0.000 1.860 110 C HN 0.643 nan 8.230 nan 0.000 0.589 111 H N -0.569 118.463 119.070 -0.063 0.000 2.839 111 H HA -0.155 4.400 4.556 -0.001 0.000 0.298 111 H C 0.697 175.980 175.328 -0.075 0.000 1.224 111 H CA 0.299 56.301 56.048 -0.075 0.000 1.144 111 H CB -1.647 28.075 29.762 -0.067 0.000 1.372 111 H HN 0.640 nan 8.280 nan 0.000 0.408 112 A N 1.048 123.853 122.820 -0.025 0.000 2.498 112 A HA 0.244 4.563 4.320 -0.001 0.000 0.239 112 A C 1.768 179.320 177.584 -0.054 0.000 1.068 112 A CA 0.449 52.467 52.037 -0.031 0.000 0.766 112 A CB 0.313 19.291 19.000 -0.036 0.000 1.003 112 A HN 0.611 nan 8.150 nan 0.000 0.497 113 R N 1.964 122.444 120.500 -0.034 0.000 2.103 113 R HA -0.203 4.136 4.340 -0.001 0.000 0.242 113 R C 1.778 178.039 176.300 -0.065 0.000 1.142 113 R CA 2.506 58.583 56.100 -0.039 0.000 0.960 113 R CB -0.399 29.890 30.300 -0.018 0.000 0.858 113 R HN 0.746 nan 8.270 nan 0.000 0.439 114 K N -0.258 120.103 120.400 -0.065 0.000 2.057 114 K HA -0.048 4.272 4.320 -0.001 0.000 0.207 114 K C 2.042 178.491 176.600 -0.251 0.000 1.049 114 K CA 1.415 57.662 56.287 -0.067 0.000 0.931 114 K CB -0.304 32.206 32.500 0.017 0.000 0.714 114 K HN 0.319 nan 8.250 nan 0.000 0.440 115 A N 0.589 123.126 122.820 -0.471 0.000 1.858 115 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 115 A C 2.238 179.516 177.584 -0.509 0.000 1.190 115 A CA 1.701 53.118 52.037 -1.034 0.000 0.617 115 A CB -0.719 17.849 19.000 -0.720 0.000 0.827 115 A HN 0.171 nan 8.150 nan 0.000 0.443 116 V N -0.077 119.687 119.914 -0.250 0.000 2.407 116 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 116 V C 3.046 179.079 176.094 -0.101 0.000 1.055 116 V CA 1.859 64.078 62.300 -0.136 0.000 1.049 116 V CB -1.249 30.530 31.823 -0.073 0.000 0.662 116 V HN 0.624 nan 8.190 nan 0.000 0.455 117 A N -0.337 122.435 122.820 -0.081 0.000 1.908 117 A HA -0.316 4.003 4.320 -0.001 0.000 0.218 117 A C 2.135 179.717 177.584 -0.003 0.000 1.181 117 A CA 2.417 54.436 52.037 -0.031 0.000 0.627 117 A CB -0.836 18.159 19.000 -0.008 0.000 0.818 117 A HN 0.728 nan 8.150 nan 0.000 0.445 118 H N -0.189 118.817 119.070 -0.107 0.000 2.357 118 H HA -0.002 4.553 4.556 -0.002 0.000 0.301 118 H C 1.718 177.024 175.328 -0.037 0.000 1.082 118 H CA 1.895 57.909 56.048 -0.057 0.000 1.342 118 H CB -0.304 29.494 29.762 0.061 0.000 1.389 118 H HN 0.417 nan 8.280 nan 0.000 0.511 119 I N 0.313 120.795 120.570 -0.146 0.000 2.208 119 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 119 I C 2.103 178.168 176.117 -0.086 0.000 1.097 119 I CA 1.322 62.541 61.300 -0.135 0.000 1.363 119 I CB -0.313 37.643 38.000 -0.074 0.000 1.051 119 I HN 0.390 nan 8.210 nan 0.000 0.413 120 N N 0.424 119.086 118.700 -0.063 0.000 2.188 120 N HA -0.153 4.586 4.740 -0.001 0.000 0.184 120 N C 2.065 177.588 175.510 0.022 0.000 1.018 120 N CA 1.817 54.866 53.050 -0.001 0.000 0.858 120 N CB -0.220 38.256 38.487 -0.018 0.000 0.989 120 N HN 0.419 nan 8.380 nan 0.000 0.426 121 S N 0.361 116.029 115.700 -0.054 0.000 2.402 121 S HA -0.034 4.435 4.470 -0.001 0.000 0.229 121 S C 2.189 176.725 174.600 -0.106 0.000 1.021 121 S CA 0.731 58.893 58.200 -0.064 0.000 0.974 121 S CB -0.567 62.597 63.200 -0.061 0.000 0.800 121 S HN 0.004 nan 8.310 nan 0.000 0.484 122 V N 0.826 120.621 119.914 -0.198 0.000 2.358 122 V HA -0.109 4.010 4.120 -0.001 0.000 0.246 122 V C 2.238 178.321 176.094 -0.018 0.000 1.047 122 V CA 1.756 63.956 62.300 -0.168 0.000 1.035 122 V CB -1.048 30.632 31.823 -0.238 0.000 0.658 122 V HN 0.716 nan 8.190 nan 0.000 0.452 123 W N 1.449 122.672 121.300 -0.129 0.000 2.355 123 W HA -0.227 4.432 4.660 -0.000 0.000 0.309 123 W C 2.520 178.998 176.519 -0.067 0.000 1.206 123 W CA 2.287 59.583 57.345 -0.082 0.000 1.284 123 W CB -0.119 29.300 29.460 -0.068 0.000 1.145 123 W HN 0.241 nan 8.180 nan 0.000 0.502 124 K N 0.630 121.063 120.400 0.055 0.000 2.063 124 K HA -0.276 4.043 4.320 -0.001 0.000 0.208 124 K C 1.707 178.236 176.600 -0.118 0.000 1.048 124 K CA 2.294 58.559 56.287 -0.038 0.000 0.928 124 K CB -0.606 31.905 32.500 0.018 0.000 0.713 124 K HN 0.046 nan 8.250 nan 0.000 0.442 125 D N 0.144 120.482 120.400 -0.104 0.000 2.178 125 D HA -0.114 4.526 4.640 -0.001 0.000 0.202 125 D C 1.961 178.169 176.300 -0.153 0.000 0.974 125 D CA 0.738 54.673 54.000 -0.108 0.000 0.841 125 D CB 0.102 40.850 40.800 -0.087 0.000 0.953 125 D HN 0.224 nan 8.370 nan 0.000 0.478 126 L N -0.004 121.087 121.223 -0.220 0.000 2.083 126 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 126 L C 2.328 179.007 176.870 -0.319 0.000 1.083 126 L CA 0.614 55.284 54.840 -0.283 0.000 0.752 126 L CB -0.279 41.546 42.059 -0.391 0.000 0.899 126 L HN 0.236 nan 8.230 nan 0.000 0.433 127 L N -0.856 120.141 121.223 -0.376 0.000 2.217 127 L HA -0.137 4.202 4.340 -0.001 0.000 0.211 127 L C 2.146 178.913 176.870 -0.172 0.000 1.107 127 L CA 1.100 55.759 54.840 -0.302 0.000 0.783 127 L CB -0.315 41.565 42.059 -0.300 0.000 0.919 127 L HN 0.340 nan 8.230 nan 0.000 0.442 128 E N -1.189 118.926 120.200 -0.141 0.000 2.364 128 E HA -0.014 4.335 4.350 -0.001 0.000 0.196 128 E C 0.100 176.653 176.600 -0.077 0.000 0.990 128 E CA 0.067 56.412 56.400 -0.090 0.000 0.886 128 E CB 0.513 30.171 29.700 -0.070 0.000 0.866 128 E HN 0.161 nan 8.360 nan 0.000 0.493 129 D N -0.084 120.262 120.400 -0.089 0.000 2.549 129 D HA 0.169 4.808 4.640 -0.001 0.000 0.251 129 D C -0.373 175.880 176.300 -0.080 0.000 1.153 129 D CA -0.439 53.519 54.000 -0.070 0.000 0.861 129 D CB 1.635 42.400 40.800 -0.059 0.000 1.207 129 D HN -0.270 nan 8.370 nan 0.000 0.543 130 S N 1.897 117.558 115.700 -0.065 0.000 2.568 130 S HA 0.082 4.552 4.470 -0.001 0.000 0.232 130 S C 1.475 176.047 174.600 -0.047 0.000 0.975 130 S CA 0.110 58.271 58.200 -0.064 0.000 0.949 130 S CB 0.469 63.635 63.200 -0.056 0.000 0.829 130 S HN 0.550 nan 8.310 nan 0.000 0.479 131 V N -2.651 117.240 119.914 -0.039 0.000 3.137 131 V HA 0.262 4.381 4.120 -0.001 0.000 0.236 131 V C 0.558 176.644 176.094 -0.013 0.000 1.260 131 V CA 0.031 62.317 62.300 -0.023 0.000 1.244 131 V CB -0.874 30.938 31.823 -0.018 0.000 1.016 131 V HN 0.166 nan 8.190 nan 0.000 0.477 132 T N 4.683 119.228 114.554 -0.015 0.000 2.817 132 T HA 0.315 4.664 4.350 -0.001 0.000 0.295 132 T C -2.436 172.266 174.700 0.004 0.000 0.958 132 T CA -0.134 61.966 62.100 0.001 0.000 1.157 132 T CB 0.628 69.496 68.868 -0.001 0.000 0.898 132 T HN 0.368 nan 8.240 nan 0.000 0.536 133 P HA 0.160 nan 4.420 nan 0.000 0.266 133 P C -0.209 177.093 177.300 0.003 0.000 1.195 133 P CA -0.103 63.012 63.100 0.025 0.000 0.768 133 P CB 0.376 32.133 31.700 0.096 0.000 0.838 134 I N 2.260 122.814 120.570 -0.026 0.000 2.396 134 I HA 0.149 4.318 4.170 -0.001 0.000 0.292 134 I C 0.914 177.017 176.117 -0.023 0.000 0.999 134 I CA -0.444 60.846 61.300 -0.016 0.000 1.310 134 I CB 0.758 38.740 38.000 -0.029 0.000 1.404 134 I HN 0.304 nan 8.210 nan 0.000 0.496 135 D N 4.053 124.457 120.400 0.008 0.000 2.399 135 D HA 0.179 4.818 4.640 -0.001 0.000 0.241 135 D C -0.326 175.949 176.300 -0.042 0.000 1.133 135 D CA 0.310 54.301 54.000 -0.015 0.000 0.890 135 D CB 0.791 41.602 40.800 0.018 0.000 1.201 135 D HN 0.613 nan 8.370 nan 0.000 0.432 136 T N -0.763 113.735 114.554 -0.093 0.000 2.906 136 T HA 0.615 4.964 4.350 -0.001 0.000 0.295 136 T C -0.355 174.204 174.700 -0.235 0.000 1.075 136 T CA -0.950 61.060 62.100 -0.150 0.000 1.005 136 T CB 1.528 70.326 68.868 -0.117 0.000 1.136 136 T HN 0.200 nan 8.240 nan 0.000 0.498 137 T N 2.229 116.496 114.554 -0.478 0.000 2.829 137 T HA 0.582 4.932 4.350 -0.001 0.000 0.282 137 T C -0.367 174.049 174.700 -0.472 0.000 0.990 137 T CA -0.605 61.171 62.100 -0.541 0.000 1.028 137 T CB 0.764 69.127 68.868 -0.841 0.000 0.951 137 T HN 0.724 nan 8.240 nan 0.000 0.460 138 I N 4.096 124.551 120.570 -0.192 0.000 2.377 138 I HA 0.533 4.702 4.170 -0.001 0.000 0.293 138 I C -0.938 175.185 176.117 0.011 0.000 0.987 138 I CA -0.756 60.518 61.300 -0.044 0.000 1.185 138 I CB 0.637 38.666 38.000 0.050 0.000 1.341 138 I HN 0.411 nan 8.210 nan 0.000 0.455 139 M N 6.260 125.920 119.600 0.101 0.000 2.593 139 M HA 0.495 4.975 4.480 -0.001 0.000 0.290 139 M C -0.657 175.706 176.300 0.105 0.000 1.244 139 M CA -0.619 54.756 55.300 0.126 0.000 0.857 139 M CB 1.885 34.627 32.600 0.236 0.000 1.738 139 M HN 0.594 nan 8.290 nan 0.000 0.461 140 A N 2.206 125.069 122.820 0.072 0.000 2.320 140 A HA 0.474 4.793 4.320 -0.001 0.000 0.287 140 A C -0.030 177.594 177.584 0.066 0.000 1.181 140 A CA -0.485 51.587 52.037 0.058 0.000 0.831 140 A CB 0.273 19.294 19.000 0.034 0.000 1.102 140 A HN 0.738 nan 8.150 nan 0.000 0.513 141 K N 2.007 122.449 120.400 0.070 0.000 2.326 141 K HA 0.073 4.393 4.320 -0.001 0.000 0.275 141 K C -0.614 176.001 176.600 0.025 0.000 1.018 141 K CA 0.164 56.481 56.287 0.050 0.000 0.962 141 K CB 0.492 33.028 32.500 0.061 0.000 0.953 141 K HN 0.761 nan 8.250 nan 0.000 0.475 142 N N 2.818 121.504 118.700 -0.023 0.000 2.589 142 N HA 0.100 4.840 4.740 -0.001 0.000 0.232 142 N C -1.213 174.187 175.510 -0.183 0.000 1.015 142 N CA -0.283 52.717 53.050 -0.084 0.000 0.931 142 N CB 0.903 39.334 38.487 -0.095 0.000 1.150 142 N HN 0.378 nan 8.380 nan 0.000 0.512 143 E N 0.890 120.979 120.200 -0.185 0.000 2.288 143 E HA 0.426 4.775 4.350 -0.001 0.000 0.268 143 E C -0.905 175.338 176.600 -0.596 0.000 0.885 143 E CA -0.963 55.220 56.400 -0.362 0.000 0.767 143 E CB 2.571 32.125 29.700 -0.242 0.000 1.220 143 E HN 0.081 nan 8.360 nan 0.000 0.427 144 V N 3.353 122.763 119.914 -0.839 0.000 2.439 144 V HA 0.467 4.586 4.120 -0.001 0.000 0.282 144 V C -0.790 174.668 176.094 -1.059 0.000 1.039 144 V CA -0.186 61.623 62.300 -0.818 0.000 0.913 144 V CB 0.191 31.643 31.823 -0.618 0.000 0.983 144 V HN 0.516 nan 8.190 nan 0.000 0.460 145 F N 2.341 121.926 119.950 -0.608 0.000 2.675 145 F HA 0.620 5.146 4.527 -0.001 0.000 0.324 145 F C 0.061 175.643 175.800 -0.362 0.000 1.106 145 F CA -0.730 56.989 58.000 -0.469 0.000 0.970 145 F CB 1.352 40.072 39.000 -0.465 0.000 1.385 145 F HN 0.517 nan 8.300 nan 0.000 0.489 146 C N 2.623 122.007 119.300 0.139 0.000 2.376 146 C HA 0.803 5.263 4.460 -0.001 0.000 0.335 146 C C -0.061 175.136 174.990 0.345 0.000 1.229 146 C CA -0.731 58.412 59.018 0.209 0.000 1.867 146 C CB 0.028 27.848 27.740 0.132 0.000 2.319 146 C HN 0.725 nan 8.230 nan 0.000 0.515 147 V N 5.613 125.761 119.914 0.390 0.000 2.763 147 V HA 0.359 4.478 4.120 -0.001 0.000 0.306 147 V C -0.307 175.871 176.094 0.140 0.000 1.059 147 V CA 0.480 62.941 62.300 0.268 0.000 1.138 147 V CB 0.724 32.622 31.823 0.125 0.000 0.940 147 V HN 0.864 nan 8.190 nan 0.000 0.489 148 Q N 4.401 124.252 119.800 0.086 0.000 2.771 148 Q HA 0.349 4.688 4.340 -0.001 0.000 0.247 148 Q C -2.178 173.830 176.000 0.013 0.000 0.986 148 Q CA -1.792 54.037 55.803 0.043 0.000 0.713 148 Q CB 1.601 30.359 28.738 0.035 0.000 1.241 148 Q HN 0.621 nan 8.270 nan 0.000 0.488 149 P HA -0.198 nan 4.420 nan 0.000 0.216 149 P C 1.009 178.303 177.300 -0.011 0.000 1.150 149 P CA 1.238 64.332 63.100 -0.009 0.000 0.843 149 P CB 0.398 32.093 31.700 -0.009 0.000 0.787 150 E N -0.048 120.149 120.200 -0.005 0.000 2.485 150 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 150 E C 1.205 177.801 176.600 -0.008 0.000 1.098 150 E CA 0.800 57.197 56.400 -0.006 0.000 0.878 150 E CB -0.405 29.294 29.700 -0.003 0.000 0.939 150 E HN 0.248 nan 8.360 nan 0.000 0.503 151 K N -1.174 119.220 120.400 -0.011 0.000 2.558 151 K HA 0.186 4.505 4.320 -0.001 0.000 0.215 151 K C 0.717 177.303 176.600 -0.023 0.000 1.298 151 K CA 0.605 56.884 56.287 -0.015 0.000 1.008 151 K CB 0.792 33.285 32.500 -0.011 0.000 1.073 151 K HN 0.190 nan 8.250 nan 0.000 0.606 152 G N -0.321 108.463 108.800 -0.026 0.000 2.813 152 G HA2 0.015 3.974 3.960 -0.001 0.000 0.194 152 G HA3 0.015 3.974 3.960 -0.001 0.000 0.194 152 G C 0.565 175.435 174.900 -0.050 0.000 1.010 152 G CA -0.068 45.011 45.100 -0.036 0.000 0.771 152 G HN 0.643 nan 8.290 nan 0.000 0.485 153 G N 0.356 109.126 108.800 -0.051 0.000 2.964 153 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.229 153 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.229 153 G C -0.152 174.669 174.900 -0.132 0.000 1.395 153 G CA 0.158 45.209 45.100 -0.082 0.000 1.060 153 G HN 0.807 nan 8.290 nan 0.000 0.568 154 R N 1.298 121.656 120.500 -0.236 0.000 2.312 154 R HA 0.484 4.823 4.340 -0.001 0.000 0.311 154 R C -0.093 176.111 176.300 -0.159 0.000 1.004 154 R CA -0.644 55.209 56.100 -0.412 0.000 0.902 154 R CB 1.364 31.228 30.300 -0.727 0.000 1.073 154 R HN 0.421 nan 8.270 nan 0.000 0.457 155 K N 3.778 124.164 120.400 -0.023 0.000 2.326 155 K HA 0.140 4.460 4.320 -0.001 0.000 0.275 155 K C -2.021 174.579 176.600 -0.000 0.000 1.018 155 K CA -1.350 54.898 56.287 -0.066 0.000 0.962 155 K CB 0.267 32.608 32.500 -0.264 0.000 0.953 155 K HN 0.311 nan 8.250 nan 0.000 0.475 156 P HA 0.020 nan 4.420 nan 0.000 0.274 156 P C -0.819 176.505 177.300 0.041 0.000 1.231 156 P CA -0.413 62.693 63.100 0.009 0.000 0.790 156 P CB 0.644 32.337 31.700 -0.013 0.000 0.951 157 A N 3.542 126.399 122.820 0.061 0.000 2.531 157 A HA 0.052 4.371 4.320 -0.001 0.000 0.236 157 A C 0.611 178.236 177.584 0.068 0.000 1.062 157 A CA 0.049 52.136 52.037 0.083 0.000 0.760 157 A CB -0.381 18.658 19.000 0.065 0.000 0.995 157 A HN 0.475 nan 8.150 nan 0.000 0.501 158 R N 0.550 121.108 120.500 0.097 0.000 2.582 158 R HA 0.447 4.787 4.340 -0.001 0.000 0.271 158 R C -0.705 175.647 176.300 0.087 0.000 1.078 158 R CA -0.247 55.911 56.100 0.097 0.000 1.127 158 R CB 0.447 30.822 30.300 0.124 0.000 1.038 158 R HN 0.655 nan 8.270 nan 0.000 0.500 159 L N 2.946 124.223 121.223 0.089 0.000 2.322 159 L HA 0.523 4.863 4.340 -0.001 0.000 0.279 159 L C -0.054 176.899 176.870 0.139 0.000 1.036 159 L CA -0.558 54.336 54.840 0.092 0.000 0.807 159 L CB 1.300 43.393 42.059 0.058 0.000 1.226 159 L HN 0.499 nan 8.230 nan 0.000 0.433 160 I N 2.473 123.143 120.570 0.168 0.000 2.474 160 I HA 0.528 4.697 4.170 -0.001 0.000 0.294 160 I C -1.177 175.104 176.117 0.275 0.000 1.005 160 I CA -0.676 60.763 61.300 0.231 0.000 1.113 160 I CB 2.024 40.169 38.000 0.241 0.000 1.289 160 I HN 0.234 nan 8.210 nan 0.000 0.436 161 V N 8.149 128.226 119.914 0.272 0.000 2.483 161 V HA 0.518 4.638 4.120 -0.001 0.000 0.297 161 V C -0.883 175.363 176.094 0.253 0.000 1.027 161 V CA -0.462 61.943 62.300 0.175 0.000 0.855 161 V CB 1.303 33.219 31.823 0.155 0.000 0.995 161 V HN 0.591 nan 8.190 nan 0.000 0.424 162 F N 5.106 125.105 119.950 0.082 0.000 2.619 162 F HA 0.935 5.461 4.527 -0.001 0.000 0.308 162 F C -3.033 172.810 175.800 0.072 0.000 1.097 162 F CA -2.574 55.475 58.000 0.082 0.000 0.953 162 F CB 1.776 40.819 39.000 0.071 0.000 1.287 162 F HN 0.297 nan 8.300 nan 0.000 0.446 163 P HA 0.173 nan 4.420 nan 0.000 0.282 163 P C -0.998 176.451 177.300 0.247 0.000 1.287 163 P CA -0.139 63.047 63.100 0.144 0.000 0.792 163 P CB 1.025 32.808 31.700 0.139 0.000 1.163 164 D N -0.906 119.616 120.400 0.204 0.000 2.400 164 D HA -0.054 4.586 4.640 -0.001 0.000 0.238 164 D C 1.344 177.794 176.300 0.250 0.000 1.157 164 D CA -0.256 53.894 54.000 0.251 0.000 0.889 164 D CB 0.260 41.263 40.800 0.338 0.000 1.199 164 D HN 0.098 nan 8.370 nan 0.000 0.436 165 L N 3.255 124.607 121.223 0.215 0.000 2.089 165 L HA -0.035 4.304 4.340 -0.001 0.000 0.213 165 L C 2.016 179.037 176.870 0.252 0.000 1.079 165 L CA 2.568 57.520 54.840 0.186 0.000 0.758 165 L CB -1.076 41.054 42.059 0.118 0.000 0.891 165 L HN 0.655 nan 8.230 nan 0.000 0.433 166 G N -1.333 107.684 108.800 0.361 0.000 2.418 166 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 166 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 166 G C 1.533 176.518 174.900 0.142 0.000 1.158 166 G CA 1.044 46.332 45.100 0.314 0.000 0.771 166 G HN 0.352 nan 8.290 nan 0.000 0.545 167 V N 0.861 120.864 119.914 0.148 0.000 2.343 167 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 167 V C 2.925 179.099 176.094 0.133 0.000 1.051 167 V CA 1.960 64.329 62.300 0.114 0.000 1.036 167 V CB -0.491 31.396 31.823 0.107 0.000 0.654 167 V HN 0.332 nan 8.190 nan 0.000 0.451 168 R N -0.305 120.284 120.500 0.148 0.000 2.105 168 R HA -0.129 4.210 4.340 -0.001 0.000 0.239 168 R C 2.229 178.591 176.300 0.103 0.000 1.135 168 R CA 1.462 57.642 56.100 0.133 0.000 0.967 168 R CB -0.647 29.722 30.300 0.115 0.000 0.861 168 R HN 0.423 nan 8.270 nan 0.000 0.442 169 V N 0.432 120.400 119.914 0.090 0.000 2.358 169 V HA -0.283 3.837 4.120 -0.001 0.000 0.246 169 V C 2.468 178.598 176.094 0.060 0.000 1.047 169 V CA 1.527 63.856 62.300 0.047 0.000 1.035 169 V CB -0.416 31.427 31.823 0.033 0.000 0.658 169 V HN 0.458 nan 8.190 nan 0.000 0.452 170 C N -0.111 119.260 119.300 0.119 0.000 2.422 170 C HA -0.133 4.327 4.460 -0.001 0.000 0.279 170 C C 2.632 177.781 174.990 0.265 0.000 1.305 170 C CA 0.831 59.990 59.018 0.235 0.000 1.757 170 C CB -1.019 26.914 27.740 0.323 0.000 1.962 170 C HN 0.624 nan 8.230 nan 0.000 0.499 171 E N 0.808 121.127 120.200 0.199 0.000 2.077 171 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 171 E C 2.144 178.861 176.600 0.196 0.000 0.989 171 E CA 1.120 57.651 56.400 0.220 0.000 0.800 171 E CB -0.116 29.725 29.700 0.235 0.000 0.746 171 E HN 0.635 nan 8.360 nan 0.000 0.452 172 K N 0.422 120.907 120.400 0.142 0.000 2.026 172 K HA -0.110 4.209 4.320 -0.001 0.000 0.208 172 K C 2.204 178.866 176.600 0.103 0.000 1.048 172 K CA 1.392 57.752 56.287 0.122 0.000 0.929 172 K CB -0.125 32.378 32.500 0.005 0.000 0.713 172 K HN 0.086 nan 8.250 nan 0.000 0.439 173 M N 0.403 120.021 119.600 0.030 0.000 2.082 173 M HA -0.235 4.244 4.480 -0.001 0.000 0.258 173 M C 2.429 178.773 176.300 0.072 0.000 1.069 173 M CA 1.991 57.248 55.300 -0.072 0.000 1.102 173 M CB -0.418 31.950 32.600 -0.388 0.000 1.336 173 M HN 0.253 nan 8.290 nan 0.000 0.404 174 A N -0.737 122.231 122.820 0.246 0.000 1.970 174 A HA 0.054 4.374 4.320 -0.001 0.000 0.216 174 A C 1.870 179.551 177.584 0.162 0.000 1.170 174 A CA 1.173 53.390 52.037 0.300 0.000 0.645 174 A CB -0.183 19.027 19.000 0.349 0.000 0.816 174 A HN 0.507 nan 8.150 nan 0.000 0.447 175 L N -3.308 117.998 121.223 0.139 0.000 3.174 175 L HA 0.188 4.527 4.340 -0.001 0.000 0.283 175 L C 1.819 178.723 176.870 0.057 0.000 1.187 175 L CA 0.021 54.888 54.840 0.044 0.000 1.018 175 L CB 0.083 42.144 42.059 0.002 0.000 1.433 175 L HN 0.436 nan 8.230 nan 0.000 0.593 176 Y N 1.525 121.843 120.300 0.031 0.000 2.128 176 Y HA -0.339 4.211 4.550 -0.001 0.000 0.284 176 Y C 2.156 178.092 175.900 0.060 0.000 1.154 176 Y CA 2.310 60.445 58.100 0.058 0.000 1.149 176 Y CB 0.089 38.574 38.460 0.040 0.000 0.976 176 Y HN 0.205 nan 8.280 nan 0.000 0.505 177 D N -0.827 119.596 120.400 0.038 0.000 2.117 177 D HA -0.163 4.476 4.640 -0.001 0.000 0.198 177 D C 2.268 178.504 176.300 -0.106 0.000 0.982 177 D CA 1.427 55.400 54.000 -0.046 0.000 0.828 177 D CB -0.211 40.614 40.800 0.041 0.000 0.967 177 D HN 0.253 nan 8.370 nan 0.000 0.464 178 V N 0.535 120.393 119.914 -0.094 0.000 2.255 178 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 178 V C 2.659 178.643 176.094 -0.183 0.000 1.051 178 V CA 1.911 64.130 62.300 -0.134 0.000 1.018 178 V CB -0.792 30.915 31.823 -0.193 0.000 0.641 178 V HN 0.325 nan 8.190 nan 0.000 0.445 179 V N -2.435 117.350 119.914 -0.214 0.000 3.141 179 V HA -0.069 4.050 4.120 -0.001 0.000 0.265 179 V C 1.990 177.940 176.094 -0.241 0.000 1.126 179 V CA 1.988 64.159 62.300 -0.215 0.000 1.141 179 V CB -0.345 31.376 31.823 -0.169 0.000 0.743 179 V HN 0.461 nan 8.190 nan 0.000 0.492 180 S N -0.075 115.474 115.700 -0.251 0.000 2.501 180 S HA 0.145 4.614 4.470 -0.001 0.000 0.220 180 S C 1.737 176.249 174.600 -0.147 0.000 0.997 180 S CA 0.982 59.054 58.200 -0.213 0.000 0.919 180 S CB -0.019 63.001 63.200 -0.300 0.000 0.778 180 S HN 0.733 nan 8.310 nan 0.000 0.523 181 K N -0.162 120.146 120.400 -0.154 0.000 2.436 181 K HA 0.294 4.613 4.320 -0.001 0.000 0.198 181 K C 1.539 178.041 176.600 -0.163 0.000 1.174 181 K CA -0.037 56.175 56.287 -0.125 0.000 0.951 181 K CB -0.032 32.418 32.500 -0.084 0.000 1.040 181 K HN 0.069 nan 8.250 nan 0.000 0.536 182 L N 2.389 123.506 121.223 -0.178 0.000 2.044 182 L HA 0.018 4.357 4.340 -0.001 0.000 0.205 182 L C -1.321 175.387 176.870 -0.269 0.000 1.075 182 L CA 1.656 56.400 54.840 -0.160 0.000 0.747 182 L CB -0.705 41.309 42.059 -0.075 0.000 0.903 182 L HN -0.060 nan 8.230 nan 0.000 0.435 183 P HA -0.172 nan 4.420 nan 0.000 0.215 183 P C 1.960 178.850 177.300 -0.684 0.000 1.153 183 P CA 1.197 63.871 63.100 -0.711 0.000 0.853 183 P CB -0.108 30.786 31.700 -1.344 0.000 0.788 184 L N -0.157 120.706 121.223 -0.599 0.000 2.012 184 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 184 L C 2.226 178.976 176.870 -0.200 0.000 1.073 184 L CA 2.160 56.831 54.840 -0.282 0.000 0.748 184 L CB -1.573 40.408 42.059 -0.129 0.000 0.891 184 L HN -0.114 nan 8.230 nan 0.000 0.431 185 A N -1.342 121.370 122.820 -0.181 0.000 1.940 185 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 185 A C 2.239 179.744 177.584 -0.132 0.000 1.176 185 A CA 2.113 54.076 52.037 -0.123 0.000 0.631 185 A CB -0.996 17.947 19.000 -0.094 0.000 0.814 185 A HN 0.332 nan 8.150 nan 0.000 0.446 186 V N -0.909 118.891 119.914 -0.190 0.000 2.488 186 V HA -0.127 3.992 4.120 -0.001 0.000 0.246 186 V C 2.341 178.263 176.094 -0.287 0.000 1.046 186 V CA 2.012 64.194 62.300 -0.196 0.000 1.053 186 V CB -0.446 31.249 31.823 -0.214 0.000 0.679 186 V HN 0.576 nan 8.190 nan 0.000 0.458 187 M N -1.265 118.097 119.600 -0.396 0.000 2.367 187 M HA 0.371 4.850 4.480 -0.001 0.000 0.256 187 M C 1.515 177.687 176.300 -0.213 0.000 1.091 187 M CA 0.756 55.742 55.300 -0.524 0.000 1.049 187 M CB 0.522 32.721 32.600 -0.668 0.000 1.406 187 M HN 0.434 nan 8.290 nan 0.000 0.498 188 G N 1.858 110.576 108.800 -0.138 0.000 2.634 188 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.309 188 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.309 188 G C 0.851 175.731 174.900 -0.034 0.000 1.265 188 G CA 0.984 46.053 45.100 -0.053 0.000 0.998 188 G HN 0.534 nan 8.290 nan 0.000 0.551 189 S N -0.552 115.171 115.700 0.040 0.000 2.507 189 S HA 0.112 4.581 4.470 -0.001 0.000 0.235 189 S C 2.130 176.677 174.600 -0.089 0.000 0.988 189 S CA 1.803 60.044 58.200 0.069 0.000 0.944 189 S CB -0.003 63.378 63.200 0.302 0.000 0.762 189 S HN 0.940 nan 8.310 nan 0.000 0.526 190 S N 0.321 116.006 115.700 -0.025 0.000 2.522 190 S HA 0.122 4.591 4.470 -0.001 0.000 0.227 190 S C 0.185 174.728 174.600 -0.095 0.000 0.986 190 S CA -0.133 58.044 58.200 -0.037 0.000 0.929 190 S CB -0.393 62.875 63.200 0.113 0.000 0.769 190 S HN 0.691 nan 8.310 nan 0.000 0.529 191 Y N 3.001 123.129 120.300 -0.287 0.000 2.584 191 Y HA 0.466 5.016 4.550 -0.001 0.000 0.351 191 Y C 1.236 176.898 175.900 -0.398 0.000 1.030 191 Y CA -1.550 56.356 58.100 -0.325 0.000 1.332 191 Y CB 0.037 38.320 38.460 -0.295 0.000 1.148 191 Y HN 0.055 nan 8.280 nan 0.000 0.528 192 G N 4.436 112.802 108.800 -0.724 0.000 2.448 192 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.218 192 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.218 192 G C 0.966 175.370 174.900 -0.827 0.000 1.135 192 G CA 0.196 44.894 45.100 -0.670 0.000 0.784 192 G HN 0.616 nan 8.290 nan 0.000 0.543 193 F N 1.171 120.418 119.950 -1.171 0.000 2.802 193 F HA 0.081 4.608 4.527 -0.001 0.000 0.300 193 F C 2.730 178.242 175.800 -0.480 0.000 1.168 193 F CA 0.447 57.857 58.000 -0.984 0.000 1.433 193 F CB -0.059 38.335 39.000 -1.010 0.000 1.115 193 F HN 0.374 nan 8.300 nan 0.000 0.582 194 Q N -0.714 118.772 119.800 -0.523 0.000 2.472 194 Q HA -0.079 4.260 4.340 -0.001 0.000 0.208 194 Q C -0.644 175.196 176.000 -0.268 0.000 0.958 194 Q CA 0.768 56.380 55.803 -0.320 0.000 0.932 194 Q CB -0.268 28.192 28.738 -0.464 0.000 1.007 194 Q HN 0.284 nan 8.270 nan 0.000 0.508 195 Y N 1.827 122.155 120.300 0.047 0.000 2.341 195 Y HA 0.297 4.846 4.550 -0.001 0.000 0.337 195 Y C 0.543 176.434 175.900 -0.016 0.000 1.014 195 Y CA -1.315 56.786 58.100 0.001 0.000 1.111 195 Y CB 1.518 39.918 38.460 -0.100 0.000 1.194 195 Y HN 0.099 nan 8.280 nan 0.000 0.462 196 S N 2.886 118.504 115.700 -0.138 0.000 2.580 196 S HA 0.130 4.599 4.470 -0.001 0.000 0.266 196 S C -1.942 172.395 174.600 -0.439 0.000 1.354 196 S CA -0.896 56.786 58.200 -0.863 0.000 1.008 196 S CB 0.955 63.688 63.200 -0.778 0.000 0.898 196 S HN 0.450 nan 8.310 nan 0.000 0.555 197 P HA -0.019 nan 4.420 nan 0.000 0.216 197 P C 1.718 178.953 177.300 -0.109 0.000 1.153 197 P CA 1.784 64.761 63.100 -0.205 0.000 0.858 197 P CB -0.537 31.073 31.700 -0.149 0.000 0.789 198 G N -0.452 108.264 108.800 -0.141 0.000 2.408 198 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 198 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 198 G C 1.523 176.381 174.900 -0.071 0.000 1.150 198 G CA 0.521 45.588 45.100 -0.054 0.000 0.776 198 G HN 0.311 nan 8.290 nan 0.000 0.542 199 Q N -0.551 119.191 119.800 -0.096 0.000 2.167 199 Q HA 0.026 4.365 4.340 -0.001 0.000 0.202 199 Q C 2.582 178.439 176.000 -0.238 0.000 0.970 199 Q CA 0.773 56.533 55.803 -0.073 0.000 0.855 199 Q CB -0.100 28.694 28.738 0.093 0.000 0.911 199 Q HN 0.441 nan 8.270 nan 0.000 0.438 200 R N 0.342 120.729 120.500 -0.188 0.000 2.075 200 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 200 R C 2.089 178.301 176.300 -0.147 0.000 1.126 200 R CA 1.096 57.052 56.100 -0.240 0.000 0.963 200 R CB -0.114 30.139 30.300 -0.078 0.000 0.858 200 R HN 0.097 nan 8.270 nan 0.000 0.435 201 V N 1.581 121.438 119.914 -0.096 0.000 2.287 201 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 201 V C 2.392 178.411 176.094 -0.125 0.000 1.053 201 V CA 2.288 64.537 62.300 -0.086 0.000 1.027 201 V CB -0.592 31.218 31.823 -0.022 0.000 0.646 201 V HN 0.506 nan 8.190 nan 0.000 0.447 202 E N -0.432 119.704 120.200 -0.107 0.000 2.085 202 E HA -0.286 4.063 4.350 -0.001 0.000 0.194 202 E C 2.137 178.654 176.600 -0.138 0.000 0.994 202 E CA 1.793 58.126 56.400 -0.111 0.000 0.801 202 E CB -0.242 29.418 29.700 -0.067 0.000 0.743 202 E HN 0.566 nan 8.360 nan 0.000 0.453 203 F N 1.232 120.985 119.950 -0.329 0.000 2.102 203 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 203 F C 1.966 177.631 175.800 -0.224 0.000 1.105 203 F CA 1.484 59.279 58.000 -0.343 0.000 1.239 203 F CB -0.201 38.415 39.000 -0.641 0.000 0.991 203 F HN 0.003 nan 8.300 nan 0.000 0.474 204 L N -0.751 120.388 121.223 -0.139 0.000 2.056 204 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 204 L C 2.366 179.108 176.870 -0.214 0.000 1.078 204 L CA 0.963 55.701 54.840 -0.171 0.000 0.749 204 L CB -0.846 41.153 42.059 -0.101 0.000 0.901 204 L HN 0.018 nan 8.230 nan 0.000 0.433 205 V N -0.471 119.283 119.914 -0.266 0.000 2.343 205 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 205 V C 2.457 178.432 176.094 -0.198 0.000 1.051 205 V CA 1.797 63.908 62.300 -0.315 0.000 1.036 205 V CB -0.463 31.024 31.823 -0.560 0.000 0.654 205 V HN 0.438 nan 8.190 nan 0.000 0.451 206 Q N 0.662 120.326 119.800 -0.228 0.000 2.124 206 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 206 Q C 2.120 177.992 176.000 -0.214 0.000 0.977 206 Q CA 2.178 57.862 55.803 -0.197 0.000 0.850 206 Q CB -0.651 27.966 28.738 -0.202 0.000 0.901 206 Q HN 0.584 nan 8.270 nan 0.000 0.429 207 A N 0.010 122.635 122.820 -0.325 0.000 1.902 207 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 207 A C 2.047 179.562 177.584 -0.114 0.000 1.181 207 A CA 1.346 53.204 52.037 -0.298 0.000 0.623 207 A CB -1.398 17.332 19.000 -0.449 0.000 0.818 207 A HN 0.749 nan 8.150 nan 0.000 0.443 208 W N 0.890 122.046 121.300 -0.240 0.000 2.355 208 W HA -0.137 4.522 4.660 -0.001 0.000 0.309 208 W C 1.619 178.058 176.519 -0.132 0.000 1.206 208 W CA 1.920 59.163 57.345 -0.170 0.000 1.284 208 W CB -0.139 29.218 29.460 -0.171 0.000 1.145 208 W HN 0.305 nan 8.180 nan 0.000 0.502 209 K N 0.240 120.656 120.400 0.026 0.000 2.439 209 K HA -0.095 4.224 4.320 -0.001 0.000 0.197 209 K C 2.008 178.551 176.600 -0.095 0.000 1.041 209 K CA 1.326 57.593 56.287 -0.033 0.000 0.970 209 K CB -0.128 32.369 32.500 -0.006 0.000 0.773 209 K HN 0.044 nan 8.250 nan 0.000 0.479 210 S N 0.296 115.923 115.700 -0.121 0.000 2.527 210 S HA 0.047 4.516 4.470 -0.001 0.000 0.222 210 S C 0.518 175.037 174.600 -0.134 0.000 0.985 210 S CA 0.015 58.145 58.200 -0.116 0.000 0.921 210 S CB 0.120 63.248 63.200 -0.119 0.000 0.772 210 S HN -0.043 nan 8.310 nan 0.000 0.529 211 K N 1.756 122.040 120.400 -0.193 0.000 2.118 211 K HA 0.397 4.716 4.320 -0.001 0.000 0.267 211 K C 0.490 176.979 176.600 -0.186 0.000 0.991 211 K CA -0.497 55.667 56.287 -0.204 0.000 0.916 211 K CB 1.060 33.382 32.500 -0.296 0.000 1.041 211 K HN 0.105 nan 8.250 nan 0.000 0.455 212 K N 0.642 120.960 120.400 -0.137 0.000 2.025 212 K HA -0.021 4.298 4.320 -0.001 0.000 0.207 212 K C 0.160 176.685 176.600 -0.125 0.000 1.049 212 K CA 1.153 57.375 56.287 -0.107 0.000 0.933 212 K CB 0.179 32.635 32.500 -0.074 0.000 0.714 212 K HN 0.457 nan 8.250 nan 0.000 0.438 213 T N 3.357 117.826 114.554 -0.141 0.000 3.009 213 T HA 0.220 4.570 4.350 -0.001 0.000 0.346 213 T C -2.773 171.791 174.700 -0.226 0.000 1.092 213 T CA -1.512 60.501 62.100 -0.145 0.000 1.080 213 T CB 1.976 70.803 68.868 -0.068 0.000 1.037 213 T HN -0.029 nan 8.240 nan 0.000 0.487 214 P HA 0.349 nan 4.420 nan 0.000 0.275 214 P C -0.663 176.295 177.300 -0.569 0.000 1.228 214 P CA -0.686 61.948 63.100 -0.778 0.000 0.786 214 P CB 0.859 31.464 31.700 -1.826 0.000 0.927 215 M N 2.014 121.375 119.600 -0.398 0.000 2.457 215 M HA 0.672 5.152 4.480 -0.001 0.000 0.300 215 M C -1.055 175.205 176.300 -0.066 0.000 1.141 215 M CA -0.332 54.811 55.300 -0.262 0.000 0.901 215 M CB 2.434 34.914 32.600 -0.201 0.000 1.687 215 M HN 0.580 nan 8.290 nan 0.000 0.449 216 G N 3.462 112.328 108.800 0.109 0.000 2.672 216 G HA2 0.841 4.800 3.960 -0.001 0.000 0.292 216 G HA3 0.841 4.800 3.960 -0.001 0.000 0.292 216 G C -1.983 173.001 174.900 0.141 0.000 1.375 216 G CA -0.647 44.535 45.100 0.137 0.000 0.890 216 G HN 0.807 nan 8.290 nan 0.000 0.476 217 F N -0.584 119.334 119.950 -0.052 0.000 2.654 217 F HA 0.785 5.312 4.527 -0.001 0.000 0.308 217 F C -0.208 175.575 175.800 -0.028 0.000 1.108 217 F CA -1.377 56.589 58.000 -0.058 0.000 0.957 217 F CB 1.410 40.357 39.000 -0.089 0.000 1.309 217 F HN 0.629 nan 8.300 nan 0.000 0.446 218 S N 1.043 116.822 115.700 0.130 0.000 2.578 218 S HA 0.626 5.095 4.470 -0.001 0.000 0.283 218 S C -1.547 173.250 174.600 0.328 0.000 1.195 218 S CA -0.592 57.670 58.200 0.105 0.000 1.050 218 S CB 1.664 64.903 63.200 0.064 0.000 1.012 218 S HN 0.853 nan 8.310 nan 0.000 0.511 219 Y N 1.401 121.814 120.300 0.189 0.000 2.326 219 Y HA 0.457 5.007 4.550 -0.001 0.000 0.331 219 Y C -1.072 174.952 175.900 0.207 0.000 0.962 219 Y CA -0.888 57.383 58.100 0.285 0.000 1.167 219 Y CB 1.407 40.141 38.460 0.457 0.000 1.148 219 Y HN 0.857 nan 8.280 nan 0.000 0.463 220 D N 4.511 124.740 120.400 -0.285 0.000 2.412 220 D HA 0.230 4.869 4.640 -0.001 0.000 0.224 220 D C -0.774 175.363 176.300 -0.272 0.000 1.093 220 D CA -0.110 53.793 54.000 -0.161 0.000 0.850 220 D CB 0.997 41.744 40.800 -0.089 0.000 1.046 220 D HN 0.475 nan 8.370 nan 0.000 0.507 221 T N 3.524 118.083 114.554 0.008 0.000 2.884 221 T HA 0.146 4.495 4.350 -0.001 0.000 0.298 221 T C 0.481 175.258 174.700 0.128 0.000 0.998 221 T CA -0.395 61.794 62.100 0.149 0.000 1.124 221 T CB 0.633 69.814 68.868 0.522 0.000 0.931 221 T HN 0.307 nan 8.240 nan 0.000 0.531 222 R N 2.067 122.606 120.500 0.064 0.000 2.351 222 R HA 0.185 4.524 4.340 -0.001 0.000 0.318 222 R C -0.166 176.231 176.300 0.163 0.000 1.055 222 R CA -0.229 55.906 56.100 0.058 0.000 0.968 222 R CB -0.638 29.634 30.300 -0.048 0.000 0.974 222 R HN 0.924 nan 8.270 nan 0.000 0.439 223 C N 5.440 124.872 119.300 0.219 0.000 3.514 223 C HA -0.163 4.296 4.460 -0.001 0.000 0.286 223 C C 1.340 176.540 174.990 0.350 0.000 1.302 223 C CA 0.151 59.353 59.018 0.307 0.000 2.239 223 C CB -2.924 25.066 27.740 0.416 0.000 1.429 223 C HN 1.033 nan 8.230 nan 0.000 0.565 224 F N 1.826 121.895 119.950 0.198 0.000 2.087 224 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 224 F C 1.985 177.895 175.800 0.183 0.000 1.100 224 F CA 2.402 60.517 58.000 0.191 0.000 1.226 224 F CB 0.026 39.127 39.000 0.167 0.000 0.983 224 F HN 0.484 nan 8.300 nan 0.000 0.479 225 D N -0.407 120.223 120.400 0.383 0.000 2.158 225 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 225 D C 2.421 178.776 176.300 0.092 0.000 0.995 225 D CA 1.658 55.809 54.000 0.253 0.000 0.846 225 D CB -0.504 40.451 40.800 0.258 0.000 0.941 225 D HN 0.262 nan 8.370 nan 0.000 0.456 226 S N -0.430 115.339 115.700 0.115 0.000 2.453 226 S HA -0.095 4.374 4.470 -0.001 0.000 0.231 226 S C 2.056 176.608 174.600 -0.080 0.000 1.005 226 S CA 1.313 59.480 58.200 -0.055 0.000 0.949 226 S CB -0.162 62.947 63.200 -0.151 0.000 0.774 226 S HN 0.525 nan 8.310 nan 0.000 0.510 227 T N -0.280 114.304 114.554 0.050 0.000 3.055 227 T HA 0.102 4.451 4.350 -0.001 0.000 0.265 227 T C 0.631 175.246 174.700 -0.142 0.000 1.111 227 T CA 0.103 62.214 62.100 0.018 0.000 1.118 227 T CB -0.437 68.397 68.868 -0.056 0.000 0.909 227 T HN 0.038 nan 8.240 nan 0.000 0.501 228 V N 3.999 123.791 119.914 -0.202 0.000 2.479 228 V HA 0.309 4.428 4.120 -0.001 0.000 0.281 228 V C 1.155 177.189 176.094 -0.100 0.000 1.031 228 V CA -0.251 61.955 62.300 -0.157 0.000 1.038 228 V CB 0.139 31.911 31.823 -0.086 0.000 0.981 228 V HN 0.719 nan 8.190 nan 0.000 0.478 229 T N 1.060 115.568 114.554 -0.077 0.000 2.881 229 T HA 0.348 4.697 4.350 -0.001 0.000 0.278 229 T C 0.967 175.640 174.700 -0.045 0.000 0.982 229 T CA -0.609 61.451 62.100 -0.066 0.000 0.989 229 T CB 1.331 70.165 68.868 -0.057 0.000 1.058 229 T HN 0.632 nan 8.240 nan 0.000 0.529 230 E N 0.497 120.672 120.200 -0.042 0.000 2.085 230 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 230 E C 2.423 179.017 176.600 -0.010 0.000 0.994 230 E CA 1.587 57.975 56.400 -0.020 0.000 0.801 230 E CB -0.190 29.499 29.700 -0.020 0.000 0.743 230 E HN 0.814 nan 8.360 nan 0.000 0.453 231 S N 1.110 116.798 115.700 -0.019 0.000 2.383 231 S HA -0.181 4.288 4.470 -0.001 0.000 0.227 231 S C 1.517 176.113 174.600 -0.005 0.000 1.026 231 S CA 1.194 59.387 58.200 -0.012 0.000 0.981 231 S CB -0.178 63.010 63.200 -0.021 0.000 0.818 231 S HN 0.093 nan 8.310 nan 0.000 0.472 232 D N 1.953 122.345 120.400 -0.014 0.000 2.123 232 D HA -0.020 4.619 4.640 -0.001 0.000 0.196 232 D C 1.870 178.172 176.300 0.003 0.000 0.992 232 D CA 1.237 55.240 54.000 0.005 0.000 0.833 232 D CB -0.360 40.438 40.800 -0.003 0.000 0.954 232 D HN 0.486 nan 8.370 nan 0.000 0.455 233 I N 0.389 120.962 120.570 0.005 0.000 2.353 233 I HA -0.144 4.025 4.170 -0.001 0.000 0.248 233 I C 2.395 178.516 176.117 0.007 0.000 1.119 233 I CA 0.673 61.984 61.300 0.018 0.000 1.417 233 I CB -0.040 37.992 38.000 0.055 0.000 1.078 233 I HN -0.125 nan 8.210 nan 0.000 0.421 234 R N 0.009 120.514 120.500 0.008 0.000 2.115 234 R HA -0.080 4.259 4.340 -0.001 0.000 0.230 234 R C 2.234 178.516 176.300 -0.031 0.000 1.111 234 R CA 1.537 57.639 56.100 0.002 0.000 0.976 234 R CB -0.466 29.840 30.300 0.010 0.000 0.870 234 R HN 0.290 nan 8.270 nan 0.000 0.445 235 T N 0.955 115.492 114.554 -0.028 0.000 2.821 235 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 235 T C 1.430 176.046 174.700 -0.141 0.000 1.046 235 T CA 1.221 63.298 62.100 -0.039 0.000 1.139 235 T CB -0.037 68.847 68.868 0.027 0.000 0.871 235 T HN 0.361 nan 8.240 nan 0.000 0.454 236 E N 0.793 120.870 120.200 -0.204 0.000 2.085 236 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 236 E C 2.361 178.445 176.600 -0.860 0.000 0.994 236 E CA 0.854 56.961 56.400 -0.488 0.000 0.801 236 E CB -0.073 29.398 29.700 -0.382 0.000 0.743 236 E HN 0.381 nan 8.360 nan 0.000 0.453 237 E N 0.817 120.753 120.200 -0.441 0.000 2.085 237 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 237 E C 2.046 178.563 176.600 -0.140 0.000 0.994 237 E CA 1.207 57.481 56.400 -0.211 0.000 0.801 237 E CB -0.067 29.646 29.700 0.021 0.000 0.743 237 E HN 0.219 nan 8.360 nan 0.000 0.453 238 A N 0.970 123.719 122.820 -0.119 0.000 1.933 238 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 238 A C 2.313 179.859 177.584 -0.064 0.000 1.175 238 A CA 1.268 53.272 52.037 -0.056 0.000 0.628 238 A CB -0.561 18.418 19.000 -0.035 0.000 0.814 238 A HN 0.295 nan 8.150 nan 0.000 0.444 239 I N -1.640 118.842 120.570 -0.146 0.000 2.202 239 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 239 I C 2.281 178.402 176.117 0.006 0.000 1.091 239 I CA 1.164 62.403 61.300 -0.102 0.000 1.368 239 I CB -0.522 37.389 38.000 -0.148 0.000 1.058 239 I HN 0.354 nan 8.210 nan 0.000 0.410 240 Y N 1.087 121.393 120.300 0.011 0.000 2.207 240 Y HA -0.233 4.316 4.550 -0.001 0.000 0.287 240 Y C 2.588 178.499 175.900 0.018 0.000 1.156 240 Y CA 0.732 58.841 58.100 0.014 0.000 1.182 240 Y CB -1.070 37.411 38.460 0.035 0.000 0.979 240 Y HN 0.275 nan 8.280 nan 0.000 0.521 241 Q N -1.406 118.488 119.800 0.156 0.000 2.488 241 Q HA -0.073 4.266 4.340 -0.001 0.000 0.211 241 Q C 2.185 178.224 176.000 0.064 0.000 0.967 241 Q CA 0.677 56.540 55.803 0.099 0.000 0.926 241 Q CB -0.604 28.175 28.738 0.069 0.000 0.992 241 Q HN 0.515 nan 8.270 nan 0.000 0.506 242 C N 0.159 119.493 119.300 0.056 0.000 2.448 242 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 242 C C 1.550 176.561 174.990 0.036 0.000 1.398 242 C CA -0.661 58.378 59.018 0.035 0.000 1.774 242 C CB -0.628 27.124 27.740 0.021 0.000 1.888 242 C HN 0.411 nan 8.230 nan 0.000 0.519 243 C N 1.668 120.998 119.300 0.051 0.000 2.700 243 C HA 0.179 4.638 4.460 -0.001 0.000 0.397 243 C C 0.490 175.501 174.990 0.035 0.000 1.301 243 C CA -0.281 58.761 59.018 0.039 0.000 2.219 243 C CB -0.284 27.483 27.740 0.045 0.000 2.699 243 C HN 0.518 nan 8.230 nan 0.000 0.669 244 D N 1.395 121.811 120.400 0.026 0.000 2.338 244 D HA 0.450 5.089 4.640 -0.001 0.000 0.255 244 D C -0.560 175.759 176.300 0.031 0.000 1.237 244 D CA 0.377 54.393 54.000 0.026 0.000 0.883 244 D CB 0.000 40.811 40.800 0.019 0.000 1.087 244 D HN 0.380 nan 8.370 nan 0.000 0.485 245 L N 2.423 123.669 121.223 0.039 0.000 2.309 245 L HA 0.435 4.774 4.340 -0.001 0.000 0.261 245 L C 0.161 177.060 176.870 0.049 0.000 1.021 245 L CA -1.409 53.460 54.840 0.048 0.000 0.823 245 L CB 1.799 43.894 42.059 0.060 0.000 1.366 245 L HN 0.299 nan 8.230 nan 0.000 0.423 246 D N 0.755 121.190 120.400 0.059 0.000 2.372 246 D HA 0.114 4.754 4.640 -0.001 0.000 0.243 246 D C -1.730 174.609 176.300 0.066 0.000 1.121 246 D CA -1.016 53.021 54.000 0.062 0.000 0.898 246 D CB 1.391 42.237 40.800 0.077 0.000 1.202 246 D HN 0.182 nan 8.370 nan 0.000 0.428 247 P HA -0.208 nan 4.420 nan 0.000 0.216 247 P C 0.948 178.279 177.300 0.053 0.000 1.157 247 P CA 1.490 64.617 63.100 0.045 0.000 0.880 247 P CB 0.111 31.834 31.700 0.037 0.000 0.791 248 Q N -1.122 118.730 119.800 0.087 0.000 2.124 248 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 248 Q C 2.216 178.283 176.000 0.112 0.000 0.977 248 Q CA 1.506 57.374 55.803 0.107 0.000 0.850 248 Q CB -0.626 28.254 28.738 0.237 0.000 0.901 248 Q HN 0.181 nan 8.270 nan 0.000 0.429 249 A N 1.458 124.378 122.820 0.166 0.000 1.908 249 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 249 A C 2.012 179.646 177.584 0.084 0.000 1.181 249 A CA 1.319 53.457 52.037 0.167 0.000 0.627 249 A CB -0.423 18.669 19.000 0.153 0.000 0.818 249 A HN 0.234 nan 8.150 nan 0.000 0.445 250 R N -0.735 119.802 120.500 0.061 0.000 2.096 250 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 250 R C 2.015 178.322 176.300 0.011 0.000 1.127 250 R CA 1.488 57.615 56.100 0.045 0.000 0.968 250 R CB -0.566 29.758 30.300 0.039 0.000 0.861 250 R HN 0.420 nan 8.270 nan 0.000 0.440 251 V N 0.879 120.776 119.914 -0.027 0.000 2.323 251 V HA -0.188 3.931 4.120 -0.001 0.000 0.244 251 V C 2.455 178.469 176.094 -0.133 0.000 1.041 251 V CA 1.886 64.139 62.300 -0.078 0.000 1.025 251 V CB -0.654 31.105 31.823 -0.107 0.000 0.656 251 V HN 0.383 nan 8.190 nan 0.000 0.451 252 A N -0.112 122.588 122.820 -0.200 0.000 1.933 252 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 252 A C 2.181 179.701 177.584 -0.106 0.000 1.175 252 A CA 1.866 53.729 52.037 -0.290 0.000 0.628 252 A CB -0.554 18.146 19.000 -0.500 0.000 0.814 252 A HN 0.507 nan 8.150 nan 0.000 0.444 253 I N -0.728 119.843 120.570 0.002 0.000 2.252 253 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 253 I C 2.503 178.673 176.117 0.089 0.000 1.102 253 I CA 1.783 63.142 61.300 0.097 0.000 1.385 253 I CB -0.125 37.968 38.000 0.154 0.000 1.064 253 I HN 0.275 nan 8.210 nan 0.000 0.414 254 K N 1.058 121.481 120.400 0.039 0.000 2.057 254 K HA -0.111 4.209 4.320 -0.001 0.000 0.207 254 K C 2.111 178.697 176.600 -0.022 0.000 1.049 254 K CA 1.840 58.141 56.287 0.023 0.000 0.931 254 K CB -0.312 32.190 32.500 0.004 0.000 0.714 254 K HN 0.095 nan 8.250 nan 0.000 0.440 255 S N 0.641 116.298 115.700 -0.072 0.000 2.356 255 S HA -0.048 4.421 4.470 -0.001 0.000 0.223 255 S C 1.807 176.320 174.600 -0.144 0.000 1.032 255 S CA 1.335 59.470 58.200 -0.109 0.000 1.005 255 S CB -0.344 62.763 63.200 -0.155 0.000 0.867 255 S HN 0.259 nan 8.310 nan 0.000 0.449 256 L N 1.018 122.133 121.223 -0.180 0.000 2.079 256 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 256 L C 2.680 179.266 176.870 -0.473 0.000 1.081 256 L CA 1.219 55.833 54.840 -0.376 0.000 0.752 256 L CB -1.115 40.717 42.059 -0.379 0.000 0.896 256 L HN 0.327 nan 8.230 nan 0.000 0.433 257 T N -1.028 113.451 114.554 -0.124 0.000 2.674 257 T HA -0.152 4.198 4.350 -0.001 0.000 0.265 257 T C 1.780 176.484 174.700 0.007 0.000 1.039 257 T CA 1.189 63.334 62.100 0.075 0.000 1.150 257 T CB -0.091 68.886 68.868 0.181 0.000 0.864 257 T HN 0.268 nan 8.240 nan 0.000 0.427 258 E N 0.868 121.056 120.200 -0.020 0.000 2.208 258 E HA 0.025 4.374 4.350 -0.001 0.000 0.193 258 E C 2.243 178.824 176.600 -0.032 0.000 0.988 258 E CA 0.737 57.129 56.400 -0.013 0.000 0.828 258 E CB -0.055 29.637 29.700 -0.014 0.000 0.763 258 E HN 0.448 nan 8.360 nan 0.000 0.478 259 R N -0.656 119.796 120.500 -0.079 0.000 2.265 259 R HA 0.137 4.476 4.340 -0.001 0.000 0.194 259 R C 1.656 177.897 176.300 -0.097 0.000 0.931 259 R CA 0.187 56.242 56.100 -0.076 0.000 1.032 259 R CB 0.405 30.652 30.300 -0.088 0.000 0.980 259 R HN 0.022 nan 8.270 nan 0.000 0.497 260 L N -2.271 118.856 121.223 -0.160 0.000 2.678 260 L HA 0.196 4.535 4.340 -0.001 0.000 0.187 260 L C 1.177 178.029 176.870 -0.031 0.000 1.073 260 L CA 0.752 55.496 54.840 -0.160 0.000 0.883 260 L CB -0.317 41.560 42.059 -0.304 0.000 1.501 260 L HN -0.144 nan 8.230 nan 0.000 0.488 261 Y N -0.312 120.009 120.300 0.035 0.000 2.181 261 Y HA -0.055 4.494 4.550 -0.001 0.000 0.288 261 Y C 2.729 178.639 175.900 0.017 0.000 1.146 261 Y CA 1.499 59.627 58.100 0.046 0.000 1.164 261 Y CB -1.149 37.364 38.460 0.087 0.000 0.982 261 Y HN 0.097 nan 8.280 nan 0.000 0.515 262 V N -0.815 119.186 119.914 0.146 0.000 2.970 262 V HA 0.258 4.377 4.120 -0.001 0.000 0.260 262 V C 0.898 177.007 176.094 0.025 0.000 1.100 262 V CA 1.466 63.810 62.300 0.074 0.000 1.122 262 V CB -0.523 31.333 31.823 0.056 0.000 0.721 262 V HN 0.552 nan 8.190 nan 0.000 0.483 263 G N -2.362 106.438 108.800 0.001 0.000 2.356 263 G HA2 0.538 4.497 3.960 -0.001 0.000 0.300 263 G HA3 0.538 4.497 3.960 -0.001 0.000 0.300 263 G C -0.412 174.371 174.900 -0.194 0.000 1.331 263 G CA -0.088 44.964 45.100 -0.081 0.000 0.905 263 G HN 1.208 nan 8.290 nan 0.000 0.587 264 G N -0.970 107.478 108.800 -0.585 0.000 2.336 264 G HA2 0.696 4.656 3.960 -0.001 0.000 0.300 264 G HA3 0.696 4.656 3.960 -0.001 0.000 0.300 264 G C -3.486 170.671 174.900 -1.238 0.000 1.375 264 G CA 0.163 44.766 45.100 -0.828 0.000 0.885 264 G HN 0.827 nan 8.290 nan 0.000 0.599 265 P HA 0.490 nan 4.420 nan 0.000 0.274 265 P C -0.534 176.639 177.300 -0.211 0.000 1.231 265 P CA -0.201 62.679 63.100 -0.366 0.000 0.790 265 P CB 1.127 32.805 31.700 -0.037 0.000 0.951 266 L N 1.964 123.127 121.223 -0.100 0.000 2.313 266 L HA 0.472 4.811 4.340 -0.001 0.000 0.283 266 L C 0.414 177.282 176.870 -0.003 0.000 1.013 266 L CA -0.222 54.594 54.840 -0.039 0.000 0.816 266 L CB 1.703 43.785 42.059 0.038 0.000 1.236 266 L HN 0.264 nan 8.230 nan 0.000 0.419 267 T N 1.438 115.969 114.554 -0.039 0.000 2.841 267 T HA 0.335 4.685 4.350 -0.001 0.000 0.283 267 T C -0.201 174.473 174.700 -0.044 0.000 1.000 267 T CA -0.823 61.258 62.100 -0.032 0.000 0.977 267 T CB 1.513 70.349 68.868 -0.053 0.000 0.979 267 T HN 0.654 nan 8.240 nan 0.000 0.446 268 N N 0.697 119.388 118.700 -0.016 0.000 2.364 268 N HA 0.115 4.854 4.740 -0.001 0.000 0.264 268 N C 1.422 176.914 175.510 -0.031 0.000 1.263 268 N CA -0.291 52.748 53.050 -0.018 0.000 0.959 268 N CB 0.117 38.605 38.487 0.001 0.000 1.204 268 N HN 0.456 nan 8.380 nan 0.000 0.550 269 S N -1.032 114.659 115.700 -0.015 0.000 2.474 269 S HA -0.067 4.402 4.470 -0.001 0.000 0.235 269 S C 1.191 175.781 174.600 -0.017 0.000 0.997 269 S CA 0.440 58.634 58.200 -0.010 0.000 0.949 269 S CB -0.373 62.836 63.200 0.016 0.000 0.766 269 S HN 0.614 nan 8.310 nan 0.000 0.517 270 R N 0.431 120.922 120.500 -0.015 0.000 2.334 270 R HA 0.306 4.645 4.340 -0.001 0.000 0.216 270 R C 1.435 177.721 176.300 -0.023 0.000 0.905 270 R CA 0.394 56.484 56.100 -0.017 0.000 1.064 270 R CB 0.046 30.341 30.300 -0.008 0.000 1.046 270 R HN 0.560 nan 8.270 nan 0.000 0.508 271 G N 1.426 110.208 108.800 -0.030 0.000 2.157 271 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.248 271 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.248 271 G C -0.266 174.624 174.900 -0.017 0.000 0.979 271 G CA -0.198 44.881 45.100 -0.035 0.000 0.650 271 G HN 0.379 nan 8.290 nan 0.000 0.529 272 E N 0.210 120.406 120.200 -0.006 0.000 2.301 272 E HA 0.389 4.738 4.350 -0.001 0.000 0.275 272 E C 0.133 176.746 176.600 0.022 0.000 1.030 272 E CA -0.723 55.683 56.400 0.009 0.000 0.852 272 E CB 0.697 30.405 29.700 0.013 0.000 1.060 272 E HN 0.207 nan 8.360 nan 0.000 0.401 273 N N 1.950 120.671 118.700 0.035 0.000 2.401 273 N HA 0.010 4.749 4.740 -0.001 0.000 0.255 273 N C -0.400 175.163 175.510 0.087 0.000 1.110 273 N CA -0.073 53.010 53.050 0.054 0.000 0.949 273 N CB 0.385 38.906 38.487 0.056 0.000 1.110 273 N HN 0.416 nan 8.380 nan 0.000 0.490 274 C N 2.203 121.572 119.300 0.116 0.000 2.590 274 C HA 0.570 5.030 4.460 -0.001 0.000 0.272 274 C C 1.279 176.451 174.990 0.303 0.000 1.338 274 C CA 0.626 59.766 59.018 0.203 0.000 1.746 274 C CB -1.326 26.550 27.740 0.227 0.000 2.020 274 C HN 0.912 nan 8.230 nan 0.000 0.531 275 G N -1.525 107.383 108.800 0.180 0.000 2.373 275 G HA2 0.287 4.247 3.960 -0.001 0.000 0.250 275 G HA3 0.287 4.247 3.960 -0.001 0.000 0.250 275 G C -2.116 172.824 174.900 0.066 0.000 1.304 275 G CA -0.414 44.747 45.100 0.103 0.000 0.948 275 G HN 0.041 nan 8.290 nan 0.000 0.474 276 Y N 0.488 120.674 120.300 -0.191 0.000 2.470 276 Y HA 0.745 5.294 4.550 -0.001 0.000 0.341 276 Y C -0.050 175.725 175.900 -0.207 0.000 1.021 276 Y CA -0.834 57.177 58.100 -0.149 0.000 1.025 276 Y CB 2.042 40.428 38.460 -0.124 0.000 1.266 276 Y HN 0.721 nan 8.280 nan 0.000 0.448 277 R N 4.466 124.779 120.500 -0.312 0.000 2.460 277 R HA 0.562 4.901 4.340 -0.001 0.000 0.303 277 R C -0.669 175.476 176.300 -0.258 0.000 0.968 277 R CA -0.618 55.273 56.100 -0.350 0.000 0.889 277 R CB 0.911 31.061 30.300 -0.249 0.000 1.123 277 R HN 0.740 nan 8.270 nan 0.000 0.455 278 R N 3.275 123.570 120.500 -0.341 0.000 2.668 278 R HA 0.201 4.540 4.340 -0.001 0.000 0.435 278 R C -0.582 175.574 176.300 -0.240 0.000 1.059 278 R CA -0.106 55.880 56.100 -0.190 0.000 1.073 278 R CB 0.031 30.250 30.300 -0.136 0.000 1.401 278 R HN 0.807 nan 8.270 nan 0.000 0.590 279 C N -1.871 117.248 119.300 -0.302 0.000 3.311 279 C HA 0.665 5.124 4.460 -0.001 0.000 0.366 279 C C 0.001 174.921 174.990 -0.116 0.000 1.694 279 C CA -1.430 57.450 59.018 -0.231 0.000 1.244 279 C CB 1.372 28.906 27.740 -0.343 0.000 2.038 279 C HN 0.364 nan 8.230 nan 0.000 0.436 280 R N 1.288 121.767 120.500 -0.036 0.000 2.522 280 R HA 0.496 4.836 4.340 -0.001 0.000 0.284 280 R C 0.095 176.449 176.300 0.090 0.000 1.032 280 R CA 0.956 57.089 56.100 0.054 0.000 1.049 280 R CB -0.009 30.359 30.300 0.112 0.000 0.956 280 R HN 1.253 nan 8.270 nan 0.000 0.422 281 A N 3.541 126.432 122.820 0.119 0.000 2.409 281 A HA 0.223 4.543 4.320 -0.001 0.000 0.262 281 A C 0.857 178.544 177.584 0.172 0.000 1.113 281 A CA 0.057 52.189 52.037 0.158 0.000 0.790 281 A CB 0.427 19.534 19.000 0.178 0.000 1.046 281 A HN 1.007 nan 8.150 nan 0.000 0.496 282 S N 1.860 117.676 115.700 0.193 0.000 2.527 282 S HA 0.139 4.608 4.470 -0.001 0.000 0.222 282 S C 1.002 175.706 174.600 0.174 0.000 0.985 282 S CA 0.570 58.880 58.200 0.184 0.000 0.921 282 S CB 0.164 63.480 63.200 0.193 0.000 0.772 282 S HN 1.273 nan 8.310 nan 0.000 0.529 283 G N 1.900 110.825 108.800 0.207 0.000 4.757 283 G HA2 0.530 4.489 3.960 -0.001 0.000 0.303 283 G HA3 0.530 4.489 3.960 -0.001 0.000 0.303 283 G C -0.218 174.813 174.900 0.218 0.000 1.318 283 G CA -0.208 45.018 45.100 0.209 0.000 1.020 283 G HN 0.523 nan 8.290 nan 0.000 0.589 284 V N -2.212 117.813 119.914 0.185 0.000 3.113 284 V HA 0.601 4.720 4.120 -0.001 0.000 0.316 284 V C 1.334 177.507 176.094 0.131 0.000 1.125 284 V CA -0.954 61.469 62.300 0.205 0.000 1.026 284 V CB 1.714 33.721 31.823 0.308 0.000 1.080 284 V HN 0.084 nan 8.190 nan 0.000 0.444 285 L N 2.117 123.430 121.223 0.151 0.000 2.131 285 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 285 L C 2.228 179.119 176.870 0.034 0.000 1.092 285 L CA 2.987 57.900 54.840 0.123 0.000 0.759 285 L CB -0.688 41.470 42.059 0.165 0.000 0.903 285 L HN 1.089 nan 8.230 nan 0.000 0.435 286 T N -6.017 108.479 114.554 -0.097 0.000 3.169 286 T HA 0.020 4.370 4.350 -0.001 0.000 0.250 286 T C 1.542 176.190 174.700 -0.087 0.000 1.111 286 T CA 0.651 62.644 62.100 -0.178 0.000 1.010 286 T CB -0.663 67.941 68.868 -0.441 0.000 0.984 286 T HN 0.249 nan 8.240 nan 0.000 0.537 287 T N 1.912 116.452 114.554 -0.023 0.000 2.652 287 T HA -0.157 4.193 4.350 -0.001 0.000 0.267 287 T C 2.193 176.928 174.700 0.058 0.000 1.039 287 T CA 1.805 63.930 62.100 0.041 0.000 1.153 287 T CB -0.611 68.305 68.868 0.080 0.000 0.863 287 T HN 0.530 nan 8.240 nan 0.000 0.428 288 S N -0.348 115.370 115.700 0.030 0.000 2.357 288 S HA -0.132 4.337 4.470 -0.001 0.000 0.221 288 S C 2.447 177.090 174.600 0.071 0.000 1.031 288 S CA 1.270 59.494 58.200 0.040 0.000 0.982 288 S CB -0.911 62.241 63.200 -0.079 0.000 0.853 288 S HN 0.672 nan 8.310 nan 0.000 0.458 289 C N 1.353 120.662 119.300 0.014 0.000 2.432 289 C HA 0.071 4.530 4.460 -0.001 0.000 0.277 289 C C 2.823 177.862 174.990 0.082 0.000 1.249 289 C CA 1.195 60.224 59.018 0.019 0.000 1.725 289 C CB -1.786 25.931 27.740 -0.038 0.000 2.028 289 C HN 0.703 nan 8.230 nan 0.000 0.477 290 G N 0.478 109.339 108.800 0.100 0.000 2.446 290 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 290 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 290 G C 1.522 176.517 174.900 0.158 0.000 1.168 290 G CA 1.142 46.317 45.100 0.125 0.000 0.771 290 G HN 0.597 nan 8.290 nan 0.000 0.551 291 N N 0.317 119.117 118.700 0.166 0.000 2.166 291 N HA -0.069 4.670 4.740 -0.001 0.000 0.186 291 N C 2.416 177.976 175.510 0.084 0.000 1.019 291 N CA 1.554 54.720 53.050 0.193 0.000 0.856 291 N CB -0.699 37.833 38.487 0.075 0.000 0.993 291 N HN 0.248 nan 8.380 nan 0.000 0.426 292 T N 1.738 116.345 114.554 0.088 0.000 2.708 292 T HA -0.013 4.336 4.350 -0.001 0.000 0.266 292 T C 2.135 176.904 174.700 0.115 0.000 1.037 292 T CA 0.702 62.857 62.100 0.091 0.000 1.146 292 T CB -0.309 68.656 68.868 0.161 0.000 0.865 292 T HN 0.124 nan 8.240 nan 0.000 0.435 293 L N 0.611 121.892 121.223 0.097 0.000 2.017 293 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 293 L C 2.956 179.927 176.870 0.170 0.000 1.073 293 L CA 1.318 56.219 54.840 0.101 0.000 0.745 293 L CB -1.013 41.076 42.059 0.050 0.000 0.894 293 L HN 0.295 nan 8.230 nan 0.000 0.432 294 T N -1.390 113.278 114.554 0.191 0.000 2.777 294 T HA -0.229 4.121 4.350 -0.001 0.000 0.266 294 T C 2.014 176.898 174.700 0.307 0.000 1.040 294 T CA 1.397 63.637 62.100 0.234 0.000 1.141 294 T CB -0.465 68.564 68.868 0.268 0.000 0.868 294 T HN 0.453 nan 8.240 nan 0.000 0.444 295 C N 0.739 120.263 119.300 0.374 0.000 2.413 295 C HA -0.118 4.341 4.460 -0.001 0.000 0.276 295 C C 2.398 177.524 174.990 0.227 0.000 1.236 295 C CA 0.678 59.892 59.018 0.325 0.000 1.735 295 C CB -1.394 26.401 27.740 0.091 0.000 2.031 295 C HN 0.653 nan 8.230 nan 0.000 0.474 296 Y N 1.300 121.646 120.300 0.077 0.000 2.145 296 Y HA -0.102 4.447 4.550 -0.001 0.000 0.286 296 Y C 2.074 177.981 175.900 0.011 0.000 1.145 296 Y CA 2.137 60.260 58.100 0.039 0.000 1.148 296 Y CB -0.491 37.975 38.460 0.009 0.000 0.981 296 Y HN 0.359 nan 8.280 nan 0.000 0.507 297 I N 0.299 120.859 120.570 -0.016 0.000 2.179 297 I HA -0.339 3.831 4.170 -0.001 0.000 0.242 297 I C 2.362 178.326 176.117 -0.255 0.000 1.088 297 I CA 1.792 62.956 61.300 -0.226 0.000 1.357 297 I CB -0.399 37.478 38.000 -0.204 0.000 1.051 297 I HN 0.178 nan 8.210 nan 0.000 0.409 298 K N 0.750 121.098 120.400 -0.085 0.000 2.057 298 K HA -0.109 4.211 4.320 -0.001 0.000 0.206 298 K C 2.270 178.869 176.600 -0.001 0.000 1.050 298 K CA 1.491 57.741 56.287 -0.061 0.000 0.935 298 K CB -0.272 32.294 32.500 0.110 0.000 0.715 298 K HN 0.304 nan 8.250 nan 0.000 0.439 299 A N 1.595 124.423 122.820 0.013 0.000 1.898 299 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 299 A C 2.128 179.741 177.584 0.049 0.000 1.181 299 A CA 1.398 53.485 52.037 0.083 0.000 0.620 299 A CB -0.435 18.683 19.000 0.198 0.000 0.819 299 A HN 0.214 nan 8.150 nan 0.000 0.442 300 R N -0.340 120.058 120.500 -0.169 0.000 2.081 300 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 300 R C 2.260 178.487 176.300 -0.123 0.000 1.131 300 R CA 1.519 57.482 56.100 -0.228 0.000 0.960 300 R CB -0.400 29.565 30.300 -0.559 0.000 0.856 300 R HN 0.433 nan 8.270 nan 0.000 0.436 301 A N 0.554 123.304 122.820 -0.118 0.000 1.902 301 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 301 A C 2.347 179.980 177.584 0.080 0.000 1.181 301 A CA 1.593 53.624 52.037 -0.009 0.000 0.623 301 A CB -0.819 18.162 19.000 -0.032 0.000 0.818 301 A HN 0.528 nan 8.150 nan 0.000 0.443 302 A N -1.117 121.771 122.820 0.114 0.000 1.972 302 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 302 A C 2.246 179.853 177.584 0.038 0.000 1.169 302 A CA 1.588 53.575 52.037 -0.083 0.000 0.635 302 A CB -1.238 17.381 19.000 -0.633 0.000 0.810 302 A HN 0.592 nan 8.150 nan 0.000 0.446 303 C N -0.879 118.547 119.300 0.209 0.000 2.425 303 C HA -0.092 4.368 4.460 -0.001 0.000 0.277 303 C C 2.892 177.906 174.990 0.041 0.000 1.280 303 C CA 1.138 60.306 59.018 0.249 0.000 1.744 303 C CB -1.295 26.550 27.740 0.175 0.000 1.989 303 C HN 0.611 nan 8.230 nan 0.000 0.491 304 R N 1.002 121.431 120.500 -0.117 0.000 2.066 304 R HA -0.049 4.290 4.340 -0.001 0.000 0.232 304 R C 2.465 178.547 176.300 -0.363 0.000 1.131 304 R CA 1.485 57.386 56.100 -0.331 0.000 0.955 304 R CB -0.576 29.331 30.300 -0.656 0.000 0.851 304 R HN 0.505 nan 8.270 nan 0.000 0.432 305 A N 1.439 124.080 122.820 -0.298 0.000 1.940 305 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 305 A C 2.268 179.850 177.584 -0.004 0.000 1.176 305 A CA 1.887 53.898 52.037 -0.044 0.000 0.631 305 A CB -0.555 18.455 19.000 0.017 0.000 0.814 305 A HN 0.413 nan 8.150 nan 0.000 0.446 306 A N -1.957 120.874 122.820 0.019 0.000 2.208 306 A HA 0.404 4.723 4.320 -0.001 0.000 0.209 306 A C 1.827 179.437 177.584 0.044 0.000 1.161 306 A CA 1.216 53.291 52.037 0.063 0.000 0.782 306 A CB -0.938 18.168 19.000 0.177 0.000 0.816 306 A HN 1.962 nan 8.150 nan 0.000 0.477 307 G N -0.684 108.129 108.800 0.022 0.000 2.176 307 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.252 307 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.252 307 G C 0.019 174.933 174.900 0.024 0.000 1.024 307 G CA 0.310 45.420 45.100 0.017 0.000 0.755 307 G HN 0.462 nan 8.290 nan 0.000 0.507 308 L N 0.299 121.546 121.223 0.040 0.000 2.410 308 L HA 0.326 4.665 4.340 -0.001 0.000 0.273 308 L C 1.094 177.977 176.870 0.021 0.000 1.152 308 L CA -0.228 54.637 54.840 0.042 0.000 0.855 308 L CB 0.683 42.790 42.059 0.079 0.000 1.129 308 L HN 0.448 nan 8.230 nan 0.000 0.463 309 Q N 1.886 121.692 119.800 0.010 0.000 2.257 309 Q HA 0.252 4.591 4.340 -0.001 0.000 0.255 309 Q C -0.472 175.519 176.000 -0.014 0.000 0.920 309 Q CA -0.886 54.915 55.803 -0.003 0.000 0.927 309 Q CB 1.408 30.142 28.738 -0.007 0.000 1.229 309 Q HN 0.495 nan 8.270 nan 0.000 0.433 310 D N 0.832 121.224 120.400 -0.015 0.000 2.697 310 D HA -0.161 4.479 4.640 -0.001 0.000 0.238 310 D C -1.278 175.005 176.300 -0.028 0.000 1.152 310 D CA 0.138 54.124 54.000 -0.024 0.000 0.666 310 D CB -0.976 39.800 40.800 -0.039 0.000 1.037 310 D HN 0.673 nan 8.370 nan 0.000 0.423 311 C N 0.776 120.069 119.300 -0.012 0.000 2.593 311 C HA 0.533 4.992 4.460 -0.001 0.000 0.409 311 C C 0.958 175.947 174.990 -0.002 0.000 1.304 311 C CA -0.192 58.817 59.018 -0.014 0.000 2.007 311 C CB 0.778 28.519 27.740 0.002 0.000 2.614 311 C HN 0.453 nan 8.230 nan 0.000 0.585 312 T N 5.482 120.028 114.554 -0.013 0.000 2.792 312 T HA 0.500 4.849 4.350 -0.001 0.000 0.280 312 T C -0.321 174.417 174.700 0.063 0.000 0.990 312 T CA -0.209 61.914 62.100 0.038 0.000 0.960 312 T CB 0.808 69.656 68.868 -0.034 0.000 0.939 312 T HN 0.529 nan 8.240 nan 0.000 0.439 313 M N 3.155 122.839 119.600 0.141 0.000 2.508 313 M HA 0.596 5.076 4.480 -0.001 0.000 0.327 313 M C -1.278 175.127 176.300 0.174 0.000 1.160 313 M CA -1.109 54.257 55.300 0.110 0.000 0.980 313 M CB 2.115 34.781 32.600 0.110 0.000 1.693 313 M HN 0.316 nan 8.290 nan 0.000 0.452 314 L N 3.088 124.363 121.223 0.087 0.000 2.372 314 L HA 0.627 4.966 4.340 -0.001 0.000 0.274 314 L C -1.415 175.420 176.870 -0.058 0.000 0.988 314 L CA -0.468 54.372 54.840 -0.000 0.000 0.833 314 L CB 1.714 43.782 42.059 0.015 0.000 1.236 314 L HN 0.461 nan 8.230 nan 0.000 0.410 315 V N 3.946 123.807 119.914 -0.088 0.000 2.487 315 V HA 0.483 4.602 4.120 -0.001 0.000 0.298 315 V C -0.680 175.235 176.094 -0.299 0.000 1.028 315 V CA -0.497 61.743 62.300 -0.099 0.000 0.860 315 V CB 1.602 33.455 31.823 0.050 0.000 0.991 315 V HN 0.843 nan 8.190 nan 0.000 0.427 316 C N 4.729 123.790 119.300 -0.398 0.000 2.534 316 C HA 0.769 5.228 4.460 -0.001 0.000 0.309 316 C C 1.258 176.060 174.990 -0.314 0.000 1.072 316 C CA -0.003 58.533 59.018 -0.803 0.000 1.441 316 C CB -0.276 26.846 27.740 -1.030 0.000 1.906 316 C HN 1.380 nan 8.230 nan 0.000 0.429 317 G N 4.497 113.269 108.800 -0.046 0.000 2.622 317 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.307 317 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.307 317 G C 0.744 175.497 174.900 -0.246 0.000 1.226 317 G CA 1.040 46.139 45.100 -0.002 0.000 0.997 317 G HN 0.757 nan 8.290 nan 0.000 0.551 318 D N 1.207 121.386 120.400 -0.368 0.000 2.349 318 D HA 0.092 4.732 4.640 -0.001 0.000 0.224 318 D C 0.499 176.658 176.300 -0.234 0.000 1.029 318 D CA 0.921 54.529 54.000 -0.654 0.000 0.879 318 D CB -0.150 40.239 40.800 -0.685 0.000 0.906 318 D HN 0.441 nan 8.370 nan 0.000 0.528 319 D N 0.493 120.811 120.400 -0.137 0.000 2.277 319 D HA 0.284 4.923 4.640 -0.001 0.000 0.249 319 D C -1.008 175.264 176.300 -0.047 0.000 1.134 319 D CA -0.537 53.427 54.000 -0.060 0.000 0.863 319 D CB 1.086 41.844 40.800 -0.069 0.000 1.143 319 D HN 0.041 nan 8.370 nan 0.000 0.458 320 L N 5.393 126.634 121.223 0.031 0.000 2.409 320 L HA 0.465 4.805 4.340 -0.001 0.000 0.272 320 L C -1.681 175.185 176.870 -0.006 0.000 0.980 320 L CA -0.725 54.143 54.840 0.047 0.000 0.826 320 L CB 1.798 43.964 42.059 0.178 0.000 1.268 320 L HN 0.142 nan 8.230 nan 0.000 0.407 321 V N 6.163 126.028 119.914 -0.081 0.000 2.656 321 V HA 0.824 4.944 4.120 -0.001 0.000 0.307 321 V C -1.392 174.536 176.094 -0.277 0.000 1.051 321 V CA -0.336 61.855 62.300 -0.181 0.000 0.893 321 V CB 2.286 34.044 31.823 -0.108 0.000 0.999 321 V HN 0.589 nan 8.190 nan 0.000 0.426 322 V N 7.592 127.153 119.914 -0.588 0.000 2.588 322 V HA 0.593 4.712 4.120 -0.001 0.000 0.304 322 V C -0.363 175.483 176.094 -0.414 0.000 1.042 322 V CA -0.477 61.481 62.300 -0.570 0.000 0.877 322 V CB 1.811 33.073 31.823 -0.935 0.000 0.996 322 V HN 0.778 nan 8.190 nan 0.000 0.425 323 I N 4.682 125.146 120.570 -0.177 0.000 2.465 323 I HA 0.706 4.875 4.170 -0.001 0.000 0.291 323 I C -0.088 175.971 176.117 -0.096 0.000 1.014 323 I CA -0.322 60.933 61.300 -0.075 0.000 1.093 323 I CB 1.736 39.748 38.000 0.019 0.000 1.267 323 I HN 0.910 nan 8.210 nan 0.000 0.431 324 C N 2.281 121.519 119.300 -0.102 0.000 3.336 324 C HA 0.693 5.152 4.460 -0.001 0.000 0.352 324 C C -0.401 174.516 174.990 -0.121 0.000 1.567 324 C CA -0.875 58.092 59.018 -0.085 0.000 1.328 324 C CB 1.415 29.142 27.740 -0.022 0.000 1.922 324 C HN 0.746 nan 8.230 nan 0.000 0.439 325 E N 1.299 121.448 120.200 -0.084 0.000 2.167 325 E HA 0.451 4.800 4.350 -0.001 0.000 0.284 325 E C 0.104 176.678 176.600 -0.043 0.000 1.016 325 E CA 0.380 56.728 56.400 -0.087 0.000 0.817 325 E CB 1.061 30.721 29.700 -0.066 0.000 1.080 325 E HN 0.816 nan 8.360 nan 0.000 0.397 326 S N 3.205 118.886 115.700 -0.031 0.000 2.549 326 S HA 0.269 4.738 4.470 -0.001 0.000 0.286 326 S C 0.575 175.191 174.600 0.027 0.000 1.314 326 S CA 0.262 58.488 58.200 0.044 0.000 1.062 326 S CB 0.588 63.869 63.200 0.134 0.000 0.865 326 S HN 0.615 nan 8.310 nan 0.000 0.498 327 A N 3.710 126.554 122.820 0.039 0.000 2.387 327 A HA 0.633 4.952 4.320 -0.001 0.000 0.234 327 A C 0.981 178.578 177.584 0.021 0.000 1.253 327 A CA 0.319 52.369 52.037 0.021 0.000 0.894 327 A CB -0.911 18.100 19.000 0.019 0.000 0.963 327 A HN 1.865 nan 8.150 nan 0.000 0.508 328 G N -2.136 106.684 108.800 0.033 0.000 2.539 328 G HA2 0.058 4.017 3.960 -0.001 0.000 0.686 328 G HA3 0.058 4.017 3.960 -0.001 0.000 0.686 328 G C 0.384 175.308 174.900 0.039 0.000 1.258 328 G CA -0.460 44.647 45.100 0.011 0.000 0.846 328 G HN 0.481 nan 8.290 nan 0.000 0.647 329 V N 0.780 120.692 119.914 -0.003 0.000 2.261 329 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 329 V C 2.902 179.029 176.094 0.055 0.000 1.047 329 V CA 3.095 65.413 62.300 0.029 0.000 1.015 329 V CB -0.774 31.022 31.823 -0.045 0.000 0.642 329 V HN 0.779 nan 8.190 nan 0.000 0.446 330 Q N -0.531 119.284 119.800 0.024 0.000 2.119 330 Q HA -0.230 4.109 4.340 -0.001 0.000 0.201 330 Q C 2.256 178.271 176.000 0.024 0.000 0.972 330 Q CA 1.649 57.465 55.803 0.022 0.000 0.847 330 Q CB -0.154 28.590 28.738 0.010 0.000 0.903 330 Q HN 0.660 nan 8.270 nan 0.000 0.433 331 E N 0.940 121.155 120.200 0.025 0.000 2.051 331 E HA -0.182 4.167 4.350 -0.001 0.000 0.192 331 E C 1.590 178.206 176.600 0.027 0.000 0.991 331 E CA 1.357 57.771 56.400 0.022 0.000 0.799 331 E CB -0.061 29.651 29.700 0.021 0.000 0.748 331 E HN 0.275 nan 8.360 nan 0.000 0.449 332 D N 0.109 120.540 120.400 0.051 0.000 2.117 332 D HA -0.135 4.505 4.640 -0.001 0.000 0.197 332 D C 1.858 178.163 176.300 0.008 0.000 0.987 332 D CA 1.516 55.545 54.000 0.049 0.000 0.829 332 D CB -0.398 40.482 40.800 0.133 0.000 0.961 332 D HN 0.211 nan 8.370 nan 0.000 0.460 333 A N 1.006 123.844 122.820 0.029 0.000 1.902 333 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 333 A C 2.315 179.890 177.584 -0.015 0.000 1.181 333 A CA 2.265 54.304 52.037 0.004 0.000 0.623 333 A CB -0.742 18.273 19.000 0.025 0.000 0.818 333 A HN 0.237 nan 8.150 nan 0.000 0.443 334 A N -0.607 122.211 122.820 -0.003 0.000 1.933 334 A HA -0.059 4.261 4.320 -0.001 0.000 0.218 334 A C 2.426 180.004 177.584 -0.010 0.000 1.175 334 A CA 2.026 54.061 52.037 -0.004 0.000 0.628 334 A CB -0.825 18.177 19.000 0.003 0.000 0.814 334 A HN 0.448 nan 8.150 nan 0.000 0.444 335 S N -0.590 115.102 115.700 -0.013 0.000 2.382 335 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 335 S C 1.803 176.380 174.600 -0.039 0.000 1.027 335 S CA 1.395 59.587 58.200 -0.012 0.000 0.991 335 S CB -0.335 62.861 63.200 -0.007 0.000 0.823 335 S HN 0.443 nan 8.310 nan 0.000 0.469 336 L N 1.996 123.146 121.223 -0.121 0.000 2.156 336 L HA 0.080 4.419 4.340 -0.001 0.000 0.208 336 L C 2.165 179.001 176.870 -0.057 0.000 1.095 336 L CA 1.502 56.202 54.840 -0.232 0.000 0.770 336 L CB -0.501 41.331 42.059 -0.377 0.000 0.914 336 L HN 0.123 nan 8.230 nan 0.000 0.439 337 R N -0.758 119.724 120.500 -0.030 0.000 2.081 337 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 337 R C 2.197 178.505 176.300 0.014 0.000 1.131 337 R CA 1.301 57.404 56.100 0.003 0.000 0.960 337 R CB -0.603 29.695 30.300 -0.003 0.000 0.856 337 R HN 0.475 nan 8.270 nan 0.000 0.436 338 A N 0.681 123.508 122.820 0.012 0.000 1.930 338 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 338 A C 1.940 179.526 177.584 0.002 0.000 1.175 338 A CA 0.984 53.023 52.037 0.003 0.000 0.627 338 A CB -0.583 18.423 19.000 0.010 0.000 0.815 338 A HN 0.374 nan 8.150 nan 0.000 0.443 339 F N 1.305 121.190 119.950 -0.109 0.000 2.102 339 F HA -0.163 4.363 4.527 -0.001 0.000 0.298 339 F C 2.454 178.168 175.800 -0.144 0.000 1.105 339 F CA 2.311 60.234 58.000 -0.128 0.000 1.239 339 F CB -0.516 38.388 39.000 -0.161 0.000 0.991 339 F HN 0.202 nan 8.300 nan 0.000 0.474 340 T N 0.095 114.704 114.554 0.091 0.000 2.746 340 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 340 T C 1.703 176.370 174.700 -0.054 0.000 1.039 340 T CA 1.785 63.942 62.100 0.095 0.000 1.142 340 T CB -0.347 68.652 68.868 0.219 0.000 0.866 340 T HN 0.390 nan 8.240 nan 0.000 0.444 341 E N 1.009 121.163 120.200 -0.077 0.000 2.077 341 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 341 E C 2.564 179.023 176.600 -0.235 0.000 0.989 341 E CA 1.023 57.353 56.400 -0.116 0.000 0.800 341 E CB -0.231 29.418 29.700 -0.085 0.000 0.746 341 E HN 0.481 nan 8.360 nan 0.000 0.452 342 A N 1.284 123.906 122.820 -0.330 0.000 1.858 342 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 342 A C 2.173 179.301 177.584 -0.760 0.000 1.190 342 A CA 1.368 53.063 52.037 -0.571 0.000 0.617 342 A CB -0.361 18.341 19.000 -0.496 0.000 0.827 342 A HN 0.121 nan 8.150 nan 0.000 0.443 343 M N -0.234 119.024 119.600 -0.570 0.000 2.149 343 M HA -0.124 4.355 4.480 -0.001 0.000 0.261 343 M C 2.194 178.405 176.300 -0.150 0.000 1.064 343 M CA 2.067 57.162 55.300 -0.341 0.000 1.102 343 M CB -1.957 30.366 32.600 -0.461 0.000 1.369 343 M HN 0.470 nan 8.290 nan 0.000 0.408 344 T N 0.172 114.642 114.554 -0.140 0.000 2.708 344 T HA -0.126 4.223 4.350 -0.001 0.000 0.266 344 T C 1.950 176.582 174.700 -0.113 0.000 1.037 344 T CA 1.177 63.234 62.100 -0.072 0.000 1.146 344 T CB -0.221 68.614 68.868 -0.055 0.000 0.865 344 T HN 0.388 nan 8.240 nan 0.000 0.435 345 R N 0.035 120.400 120.500 -0.225 0.000 2.127 345 R HA -0.079 4.261 4.340 -0.001 0.000 0.238 345 R C 1.781 178.008 176.300 -0.123 0.000 1.134 345 R CA 1.166 57.136 56.100 -0.216 0.000 0.975 345 R CB -0.323 29.784 30.300 -0.322 0.000 0.865 345 R HN 0.438 nan 8.270 nan 0.000 0.447 346 Y N 0.108 120.343 120.300 -0.107 0.000 2.529 346 Y HA 0.084 4.634 4.550 -0.001 0.000 0.290 346 Y C 0.839 176.675 175.900 -0.108 0.000 1.177 346 Y CA -0.321 57.697 58.100 -0.135 0.000 1.305 346 Y CB -0.179 38.218 38.460 -0.106 0.000 1.047 346 Y HN -0.052 nan 8.280 nan 0.000 0.522 347 S N -0.013 115.717 115.700 0.051 0.000 3.963 347 S HA -0.045 4.425 4.470 -0.001 0.000 0.438 347 S C -0.132 174.485 174.600 0.028 0.000 0.879 347 S CA 0.445 58.662 58.200 0.029 0.000 1.262 347 S CB -1.413 61.792 63.200 0.008 0.000 0.850 347 S HN 0.756 nan 8.310 nan 0.000 0.570 348 A N 2.122 124.979 122.820 0.062 0.000 3.464 348 A HA 0.571 4.890 4.320 -0.001 0.000 0.243 348 A C -2.572 175.133 177.584 0.202 0.000 1.100 348 A CA -0.623 51.486 52.037 0.120 0.000 0.957 348 A CB 0.828 19.940 19.000 0.187 0.000 1.340 348 A HN 0.417 nan 8.150 nan 0.000 0.645 349 P HA 0.375 nan 4.420 nan 0.000 0.272 349 P C -2.873 174.473 177.300 0.077 0.000 1.230 349 P CA -1.060 62.100 63.100 0.100 0.000 0.788 349 P CB 0.337 32.028 31.700 -0.016 0.000 0.949 350 P HA 0.147 nan 4.420 nan 0.000 0.281 350 P C 0.847 178.074 177.300 -0.122 0.000 1.264 350 P CA -0.138 62.839 63.100 -0.206 0.000 0.824 350 P CB 0.721 32.243 31.700 -0.298 0.000 1.092 351 G N 1.072 109.797 108.800 -0.126 0.000 2.395 351 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.214 351 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.214 351 G C -0.322 174.538 174.900 -0.066 0.000 1.177 351 G CA 0.435 45.492 45.100 -0.072 0.000 0.794 351 G HN 0.698 nan 8.290 nan 0.000 0.532 352 D N -0.774 119.579 120.400 -0.078 0.000 2.738 352 D HA 0.524 5.164 4.640 -0.001 0.000 0.237 352 D C -3.114 173.149 176.300 -0.061 0.000 1.123 352 D CA -2.089 51.879 54.000 -0.053 0.000 0.856 352 D CB 2.059 42.838 40.800 -0.034 0.000 1.552 352 D HN -0.088 nan 8.370 nan 0.000 0.480 353 P HA 0.147 nan 4.420 nan 0.000 0.265 353 P C -2.291 175.012 177.300 0.006 0.000 1.193 353 P CA -0.755 62.344 63.100 -0.002 0.000 0.765 353 P CB -0.189 31.516 31.700 0.008 0.000 0.823 354 P HA 0.087 nan 4.420 nan 0.000 0.272 354 P C -0.788 176.512 177.300 -0.000 0.000 1.223 354 P CA 0.115 63.253 63.100 0.063 0.000 0.784 354 P CB 0.652 32.431 31.700 0.133 0.000 0.923 355 Q N 1.248 121.062 119.800 0.024 0.000 2.375 355 Q HA 0.446 4.785 4.340 -0.001 0.000 0.271 355 Q C -2.507 173.500 176.000 0.010 0.000 1.074 355 Q CA -2.257 53.549 55.803 0.005 0.000 0.808 355 Q CB 1.464 30.218 28.738 0.027 0.000 1.327 355 Q HN 0.295 nan 8.270 nan 0.000 0.441 356 P HA 0.100 nan 4.420 nan 0.000 0.271 356 P C -0.507 176.704 177.300 -0.149 0.000 1.220 356 P CA 0.157 63.195 63.100 -0.103 0.000 0.768 356 P CB 0.763 32.407 31.700 -0.093 0.000 0.848 357 E N 2.208 122.283 120.200 -0.207 0.000 2.212 357 E HA 0.233 4.582 4.350 -0.001 0.000 0.268 357 E C -0.481 175.984 176.600 -0.225 0.000 0.902 357 E CA -0.410 55.918 56.400 -0.120 0.000 0.779 357 E CB 1.370 31.070 29.700 0.000 0.000 1.172 357 E HN 0.434 nan 8.360 nan 0.000 0.409 358 Y N -0.074 120.374 120.300 0.247 0.000 2.612 358 Y HA 0.167 4.716 4.550 -0.001 0.000 0.250 358 Y C 0.195 176.357 175.900 0.436 0.000 1.175 358 Y CA -0.406 57.898 58.100 0.341 0.000 1.205 358 Y CB 1.021 39.585 38.460 0.174 0.000 1.201 358 Y HN 0.238 nan 8.280 nan 0.000 0.532 359 D N 0.421 121.003 120.400 0.304 0.000 2.542 359 D HA 0.107 4.746 4.640 -0.001 0.000 0.252 359 D C 0.615 176.712 176.300 -0.339 0.000 1.222 359 D CA -0.346 53.695 54.000 0.069 0.000 0.895 359 D CB 1.692 42.527 40.800 0.059 0.000 1.207 359 D HN 0.121 nan 8.370 nan 0.000 0.558 360 L N 4.317 125.005 121.223 -0.893 0.000 2.079 360 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 360 L C 1.584 178.122 176.870 -0.554 0.000 1.081 360 L CA 1.956 56.057 54.840 -1.231 0.000 0.752 360 L CB -0.313 40.761 42.059 -1.642 0.000 0.896 360 L HN 0.515 nan 8.230 nan 0.000 0.433 361 E N -0.735 119.258 120.200 -0.345 0.000 2.338 361 E HA -0.152 4.198 4.350 -0.001 0.000 0.197 361 E C 1.961 178.473 176.600 -0.146 0.000 1.007 361 E CA 0.814 57.095 56.400 -0.199 0.000 0.849 361 E CB -0.150 29.479 29.700 -0.118 0.000 0.774 361 E HN 0.547 nan 8.360 nan 0.000 0.506 362 L N 0.772 121.910 121.223 -0.143 0.000 2.592 362 L HA 0.164 4.504 4.340 -0.001 0.000 0.227 362 L C 0.694 177.516 176.870 -0.080 0.000 1.127 362 L CA -0.118 54.673 54.840 -0.081 0.000 0.884 362 L CB 0.230 42.266 42.059 -0.038 0.000 1.065 362 L HN 0.026 nan 8.230 nan 0.000 0.457 363 I N 0.236 120.728 120.570 -0.131 0.000 2.352 363 I HA 0.078 4.247 4.170 -0.001 0.000 0.290 363 I C 0.031 176.103 176.117 -0.076 0.000 1.036 363 I CA 0.209 61.450 61.300 -0.099 0.000 1.336 363 I CB 1.139 39.055 38.000 -0.140 0.000 1.407 363 I HN -0.081 nan 8.210 nan 0.000 0.497 364 T N 5.191 119.722 114.554 -0.037 0.000 2.758 364 T HA 0.428 4.777 4.350 -0.001 0.000 0.285 364 T C -0.216 174.481 174.700 -0.005 0.000 0.981 364 T CA -0.613 61.477 62.100 -0.018 0.000 0.965 364 T CB 0.923 69.788 68.868 -0.006 0.000 0.927 364 T HN 0.706 nan 8.240 nan 0.000 0.448 365 S N 0.877 116.577 115.700 -0.000 0.000 2.571 365 S HA 0.424 4.894 4.470 -0.001 0.000 0.284 365 S C 0.223 174.839 174.600 0.026 0.000 1.128 365 S CA -0.830 57.370 58.200 0.001 0.000 0.970 365 S CB 0.594 63.777 63.200 -0.028 0.000 1.039 365 S HN 0.904 nan 8.310 nan 0.000 0.485 366 C N 1.988 121.306 119.300 0.029 0.000 4.268 366 C HA -0.179 4.280 4.460 -0.001 0.000 0.299 366 C C 1.423 176.486 174.990 0.122 0.000 1.429 366 C CA 0.694 59.755 59.018 0.071 0.000 2.018 366 C CB -3.286 24.493 27.740 0.064 0.000 1.277 366 C HN 1.552 nan 8.230 nan 0.000 0.767 367 S N -1.510 114.245 115.700 0.090 0.000 3.270 367 S HA -0.220 4.250 4.470 -0.001 0.000 0.293 367 S C 0.403 175.063 174.600 0.101 0.000 1.278 367 S CA 1.417 59.669 58.200 0.087 0.000 1.038 367 S CB -1.170 62.092 63.200 0.103 0.000 1.218 367 S HN 1.842 nan 8.310 nan 0.000 0.659 368 S N 1.310 117.084 115.700 0.123 0.000 2.638 368 S HA 0.815 5.284 4.470 -0.001 0.000 0.302 368 S C -0.798 173.842 174.600 0.067 0.000 1.096 368 S CA -0.589 57.704 58.200 0.156 0.000 0.953 368 S CB 2.112 65.507 63.200 0.325 0.000 1.107 368 S HN 0.529 nan 8.310 nan 0.000 0.503 369 N N -0.402 118.323 118.700 0.043 0.000 2.357 369 N HA 0.413 5.152 4.740 -0.001 0.000 0.284 369 N C -1.423 174.040 175.510 -0.078 0.000 1.236 369 N CA -0.758 52.271 53.050 -0.035 0.000 0.774 369 N CB 1.554 40.006 38.487 -0.058 0.000 1.534 369 N HN 0.460 nan 8.380 nan 0.000 0.478 370 V N 0.538 120.374 119.914 -0.130 0.000 2.614 370 V HA 0.361 4.480 4.120 -0.001 0.000 0.291 370 V C 0.522 176.497 176.094 -0.198 0.000 1.049 370 V CA 0.060 62.261 62.300 -0.165 0.000 1.038 370 V CB 0.805 32.527 31.823 -0.168 0.000 0.980 370 V HN 0.834 nan 8.190 nan 0.000 0.481 371 S N 3.117 118.608 115.700 -0.349 0.000 2.732 371 S HA 0.846 5.315 4.470 -0.001 0.000 0.293 371 S C -1.145 173.322 174.600 -0.222 0.000 1.159 371 S CA -0.521 57.496 58.200 -0.304 0.000 0.847 371 S CB 2.110 65.103 63.200 -0.344 0.000 1.169 371 S HN 0.433 nan 8.310 nan 0.000 0.501 372 V N 1.299 121.195 119.914 -0.030 0.000 2.656 372 V HA 0.948 5.067 4.120 -0.001 0.000 0.307 372 V C 0.204 176.295 176.094 -0.005 0.000 1.051 372 V CA -0.294 61.947 62.300 -0.098 0.000 0.893 372 V CB 0.958 32.602 31.823 -0.297 0.000 0.999 372 V HN 1.103 nan 8.190 nan 0.000 0.426 373 A N 2.922 125.616 122.820 -0.211 0.000 2.525 373 A HA 0.967 5.287 4.320 -0.001 0.000 0.291 373 A C -1.449 175.697 177.584 -0.729 0.000 1.268 373 A CA -0.565 51.201 52.037 -0.452 0.000 0.712 373 A CB 1.630 20.212 19.000 -0.697 0.000 1.320 373 A HN 0.930 nan 8.150 nan 0.000 0.456 374 H N -0.007 118.745 119.070 -0.531 0.000 2.690 374 H HA 0.503 5.058 4.556 -0.001 0.000 0.368 374 H C -0.872 174.204 175.328 -0.421 0.000 1.150 374 H CA -0.377 55.385 56.048 -0.476 0.000 1.174 374 H CB 1.303 30.730 29.762 -0.559 0.000 1.684 374 H HN 0.790 nan 8.280 nan 0.000 0.538 375 D N 0.540 120.893 120.400 -0.079 0.000 2.440 375 D HA 0.140 4.779 4.640 -0.001 0.000 0.269 375 D C 1.709 178.124 176.300 0.191 0.000 1.249 375 D CA -0.336 53.678 54.000 0.023 0.000 1.055 375 D CB -0.047 40.755 40.800 0.004 0.000 1.104 375 D HN 0.601 nan 8.370 nan 0.000 0.561 376 G N -1.101 107.787 108.800 0.147 0.000 2.450 376 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.220 376 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.220 376 G C 1.327 176.293 174.900 0.110 0.000 1.130 376 G CA 1.053 46.227 45.100 0.123 0.000 0.760 376 G HN 0.642 nan 8.290 nan 0.000 0.557 377 A N -0.707 122.168 122.820 0.091 0.000 2.218 377 A HA 0.480 4.800 4.320 -0.001 0.000 0.209 377 A C 2.008 179.638 177.584 0.078 0.000 1.168 377 A CA 1.256 53.332 52.037 0.065 0.000 0.804 377 A CB -0.281 18.745 19.000 0.044 0.000 0.834 377 A HN 1.593 nan 8.150 nan 0.000 0.482 378 G N -0.899 107.974 108.800 0.121 0.000 2.176 378 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.232 378 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.232 378 G C 0.228 175.202 174.900 0.124 0.000 0.986 378 G CA 0.263 45.426 45.100 0.106 0.000 0.643 378 G HN 0.481 nan 8.290 nan 0.000 0.522 379 K N 0.745 121.190 120.400 0.075 0.000 2.270 379 K HA 0.350 4.670 4.320 -0.001 0.000 0.276 379 K C 0.858 177.424 176.600 -0.057 0.000 1.023 379 K CA -0.512 55.792 56.287 0.030 0.000 0.955 379 K CB 0.525 33.028 32.500 0.005 0.000 0.975 379 K HN 0.248 nan 8.250 nan 0.000 0.471 380 R N 1.331 121.747 120.500 -0.139 0.000 2.489 380 R HA 0.109 4.449 4.340 -0.001 0.000 0.287 380 R C -0.561 175.531 176.300 -0.346 0.000 1.053 380 R CA -0.098 55.759 56.100 -0.404 0.000 1.036 380 R CB 0.552 30.614 30.300 -0.397 0.000 0.966 380 R HN 0.215 nan 8.270 nan 0.000 0.432 381 V N 4.944 124.607 119.914 -0.418 0.000 2.483 381 V HA 0.231 4.350 4.120 -0.001 0.000 0.297 381 V C -0.978 174.992 176.094 -0.207 0.000 1.027 381 V CA -0.862 61.299 62.300 -0.231 0.000 0.855 381 V CB 1.275 33.003 31.823 -0.159 0.000 0.995 381 V HN 0.589 nan 8.190 nan 0.000 0.424 382 Y N 5.360 125.662 120.300 0.004 0.000 2.299 382 Y HA 0.616 5.165 4.550 -0.001 0.000 0.326 382 Y C 0.077 176.051 175.900 0.124 0.000 1.164 382 Y CA -0.117 57.996 58.100 0.022 0.000 1.234 382 Y CB 1.055 39.487 38.460 -0.047 0.000 1.219 382 Y HN 0.725 nan 8.280 nan 0.000 0.497 383 Y N 0.450 120.818 120.300 0.113 0.000 2.625 383 Y HA 0.672 5.221 4.550 -0.001 0.000 0.338 383 Y C -2.145 173.822 175.900 0.112 0.000 1.123 383 Y CA -1.830 56.319 58.100 0.081 0.000 1.046 383 Y CB 0.789 39.268 38.460 0.032 0.000 1.299 383 Y HN 0.444 nan 8.280 nan 0.000 0.464 384 L N 2.298 123.580 121.223 0.099 0.000 2.292 384 L HA 0.713 5.052 4.340 -0.001 0.000 0.284 384 L C 0.048 177.104 176.870 0.311 0.000 1.065 384 L CA 0.493 55.394 54.840 0.102 0.000 0.806 384 L CB 1.412 43.565 42.059 0.156 0.000 1.175 384 L HN 1.010 nan 8.230 nan 0.000 0.431 385 T N 4.294 118.983 114.554 0.225 0.000 2.716 385 T HA 0.877 5.227 4.350 -0.001 0.000 0.286 385 T C -1.222 173.585 174.700 0.177 0.000 1.052 385 T CA -0.603 61.693 62.100 0.326 0.000 1.024 385 T CB 1.145 70.166 68.868 0.255 0.000 1.349 385 T HN 0.836 nan 8.240 nan 0.000 0.525 386 R N 0.448 120.963 120.500 0.024 0.000 2.728 386 R HA 0.441 4.780 4.340 -0.001 0.000 0.274 386 R C -1.570 174.533 176.300 -0.329 0.000 1.030 386 R CA -1.002 55.004 56.100 -0.156 0.000 0.876 386 R CB 0.368 30.508 30.300 -0.267 0.000 1.259 386 R HN 0.542 nan 8.270 nan 0.000 0.468 387 D N 1.462 121.679 120.400 -0.305 0.000 2.458 387 D HA 0.067 4.706 4.640 -0.001 0.000 0.243 387 D C -1.431 174.474 176.300 -0.658 0.000 1.146 387 D CA -1.341 52.427 54.000 -0.386 0.000 0.877 387 D CB 1.320 41.988 40.800 -0.221 0.000 1.176 387 D HN 0.340 nan 8.370 nan 0.000 0.461 388 P HA 0.037 nan 4.420 nan 0.000 0.249 388 P C 1.130 178.108 177.300 -0.537 0.000 1.229 388 P CA 0.150 62.576 63.100 -1.122 0.000 0.788 388 P CB 0.308 31.280 31.700 -1.213 0.000 1.072 389 T N -0.341 114.011 114.554 -0.336 0.000 2.622 389 T HA -0.138 4.212 4.350 -0.001 0.000 0.266 389 T C 1.719 176.350 174.700 -0.116 0.000 1.047 389 T CA 2.365 64.365 62.100 -0.168 0.000 1.159 389 T CB -1.174 67.638 68.868 -0.093 0.000 0.863 389 T HN 0.185 nan 8.240 nan 0.000 0.422 390 T N 2.173 116.662 114.554 -0.108 0.000 2.777 390 T HA -0.036 4.313 4.350 -0.001 0.000 0.266 390 T C -0.580 174.077 174.700 -0.071 0.000 1.040 390 T CA 1.058 63.118 62.100 -0.066 0.000 1.141 390 T CB -1.210 67.649 68.868 -0.016 0.000 0.868 390 T HN 0.331 nan 8.240 nan 0.000 0.444 391 P HA -0.018 nan 4.420 nan 0.000 0.216 391 P C 1.502 178.845 177.300 0.072 0.000 1.153 391 P CA 0.957 64.070 63.100 0.022 0.000 0.858 391 P CB -0.194 31.508 31.700 0.002 0.000 0.789 392 L N -1.453 119.762 121.223 -0.012 0.000 2.109 392 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 392 L C 2.479 179.380 176.870 0.051 0.000 1.086 392 L CA 1.402 56.256 54.840 0.022 0.000 0.760 392 L CB -1.179 40.852 42.059 -0.046 0.000 0.910 392 L HN -0.052 nan 8.230 nan 0.000 0.437 393 A N 0.405 123.243 122.820 0.030 0.000 1.877 393 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 393 A C 2.388 180.036 177.584 0.107 0.000 1.186 393 A CA 1.511 53.584 52.037 0.060 0.000 0.620 393 A CB -0.456 18.554 19.000 0.017 0.000 0.822 393 A HN 0.313 nan 8.150 nan 0.000 0.443 394 R N -0.615 119.924 120.500 0.064 0.000 2.092 394 R HA -0.025 4.314 4.340 -0.001 0.000 0.231 394 R C 2.440 178.903 176.300 0.271 0.000 1.119 394 R CA 1.071 57.233 56.100 0.103 0.000 0.970 394 R CB -0.427 29.878 30.300 0.009 0.000 0.864 394 R HN 0.513 nan 8.270 nan 0.000 0.440 395 A N 1.257 124.259 122.820 0.304 0.000 1.933 395 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 395 A C 2.348 180.159 177.584 0.379 0.000 1.175 395 A CA 1.625 53.955 52.037 0.488 0.000 0.628 395 A CB -0.536 18.780 19.000 0.528 0.000 0.814 395 A HN 0.387 nan 8.150 nan 0.000 0.444 396 A N -1.342 121.605 122.820 0.212 0.000 1.898 396 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 396 A C 2.093 179.801 177.584 0.206 0.000 1.181 396 A CA 1.358 53.477 52.037 0.136 0.000 0.620 396 A CB -0.815 18.242 19.000 0.095 0.000 0.819 396 A HN 0.827 nan 8.150 nan 0.000 0.442 397 W N 1.080 122.440 121.300 0.099 0.000 2.355 397 W HA -0.137 4.522 4.660 -0.001 0.000 0.309 397 W C 1.687 178.285 176.519 0.132 0.000 1.206 397 W CA 1.905 59.304 57.345 0.089 0.000 1.284 397 W CB -0.381 29.108 29.460 0.047 0.000 1.145 397 W HN 0.555 nan 8.180 nan 0.000 0.502 398 E N -0.775 119.728 120.200 0.505 0.000 2.268 398 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 398 E C 1.980 178.812 176.600 0.387 0.000 0.995 398 E CA 1.685 58.362 56.400 0.463 0.000 0.836 398 E CB -0.148 29.872 29.700 0.534 0.000 0.763 398 E HN 0.109 nan 8.360 nan 0.000 0.491 399 T N 0.372 115.121 114.554 0.325 0.000 2.896 399 T HA -0.041 4.309 4.350 -0.001 0.000 0.263 399 T C 1.949 176.710 174.700 0.100 0.000 1.050 399 T CA 1.025 63.253 62.100 0.212 0.000 1.140 399 T CB -0.014 68.963 68.868 0.182 0.000 0.877 399 T HN 0.226 nan 8.240 nan 0.000 0.457 400 A N 1.022 123.857 122.820 0.025 0.000 1.970 400 A HA 0.138 4.457 4.320 -0.001 0.000 0.216 400 A C 1.179 178.721 177.584 -0.071 0.000 1.170 400 A CA 0.705 52.690 52.037 -0.087 0.000 0.645 400 A CB 0.166 19.018 19.000 -0.247 0.000 0.816 400 A HN 0.158 nan 8.150 nan 0.000 0.447 401 R N -0.783 119.714 120.500 -0.006 0.000 2.621 401 R HA 0.281 4.620 4.340 -0.001 0.000 0.284 401 R C -1.510 174.923 176.300 0.221 0.000 0.998 401 R CA -0.755 55.389 56.100 0.075 0.000 0.895 401 R CB 0.862 31.184 30.300 0.037 0.000 1.195 401 R HN 0.411 nan 8.270 nan 0.000 0.450 402 H N 1.662 120.792 119.070 0.101 0.000 2.955 402 H HA 0.178 4.733 4.556 -0.001 0.000 0.290 402 H C -0.476 174.921 175.328 0.115 0.000 1.047 402 H CA 0.201 56.314 56.048 0.109 0.000 1.484 402 H CB 0.347 30.153 29.762 0.075 0.000 1.501 402 H HN 0.576 nan 8.280 nan 0.000 0.521 403 T N 3.427 117.933 114.554 -0.080 0.000 2.885 403 T HA 0.308 4.658 4.350 -0.001 0.000 0.285 403 T C -1.784 172.731 174.700 -0.308 0.000 1.019 403 T CA -1.878 60.136 62.100 -0.142 0.000 1.010 403 T CB 1.900 70.782 68.868 0.024 0.000 1.022 403 T HN 0.391 nan 8.240 nan 0.000 0.466 404 P HA 0.058 nan 4.420 nan 0.000 0.217 404 P C 0.132 177.205 177.300 -0.378 0.000 1.150 404 P CA 0.413 63.288 63.100 -0.376 0.000 0.832 404 P CB 0.086 31.520 31.700 -0.443 0.000 0.787 405 V N 1.437 121.146 119.914 -0.341 0.000 2.495 405 V HA 0.276 4.395 4.120 -0.001 0.000 0.298 405 V C -0.102 175.878 176.094 -0.191 0.000 1.031 405 V CA -0.783 61.354 62.300 -0.273 0.000 0.871 405 V CB 1.798 33.455 31.823 -0.276 0.000 0.988 405 V HN 0.004 nan 8.190 nan 0.000 0.432 406 N N 2.644 121.201 118.700 -0.239 0.000 2.546 406 N HA 0.118 4.857 4.740 -0.001 0.000 0.238 406 N C 1.194 176.482 175.510 -0.370 0.000 0.984 406 N CA 0.049 52.914 53.050 -0.307 0.000 0.935 406 N CB 1.866 39.997 38.487 -0.592 0.000 1.122 406 N HN 0.816 nan 8.380 nan 0.000 0.510 407 S N 2.212 117.822 115.700 -0.151 0.000 2.419 407 S HA -0.124 4.346 4.470 -0.001 0.000 0.233 407 S C 1.824 176.393 174.600 -0.052 0.000 1.016 407 S CA 0.300 58.452 58.200 -0.081 0.000 0.974 407 S CB -0.396 62.806 63.200 0.003 0.000 0.786 407 S HN 0.808 nan 8.310 nan 0.000 0.492 408 W N 1.227 122.467 121.300 -0.101 0.000 2.363 408 W HA -0.019 4.641 4.660 -0.001 0.000 0.296 408 W C 1.685 178.110 176.519 -0.157 0.000 1.212 408 W CA 0.451 57.703 57.345 -0.155 0.000 1.260 408 W CB -1.037 28.096 29.460 -0.545 0.000 1.131 408 W HN 0.358 nan 8.180 nan 0.000 0.530 409 L N 2.876 123.522 121.223 -0.961 0.000 2.093 409 L HA 0.158 4.497 4.340 -0.001 0.000 0.208 409 L C 2.638 179.323 176.870 -0.308 0.000 1.085 409 L CA 2.662 57.007 54.840 -0.825 0.000 0.755 409 L CB -1.366 39.962 42.059 -1.220 0.000 0.904 409 L HN 0.051 nan 8.230 nan 0.000 0.435 410 G N -0.729 107.910 108.800 -0.269 0.000 2.418 410 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 410 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 410 G C 1.463 176.374 174.900 0.019 0.000 1.158 410 G CA 0.700 45.719 45.100 -0.135 0.000 0.771 410 G HN 0.427 nan 8.290 nan 0.000 0.545 411 N N 0.642 119.420 118.700 0.130 0.000 2.166 411 N HA -0.029 4.710 4.740 -0.001 0.000 0.186 411 N C 2.240 177.928 175.510 0.296 0.000 1.019 411 N CA 0.673 53.935 53.050 0.352 0.000 0.856 411 N CB -0.203 38.564 38.487 0.466 0.000 0.993 411 N HN 0.342 nan 8.380 nan 0.000 0.426 412 I N 0.885 121.582 120.570 0.211 0.000 2.226 412 I HA -0.230 3.940 4.170 -0.001 0.000 0.245 412 I C 2.002 178.189 176.117 0.117 0.000 1.100 412 I CA 0.907 62.310 61.300 0.171 0.000 1.374 412 I CB -0.149 38.005 38.000 0.257 0.000 1.057 412 I HN 0.050 nan 8.210 nan 0.000 0.413 413 I N -0.132 120.503 120.570 0.109 0.000 2.202 413 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 413 I C 2.485 178.712 176.117 0.183 0.000 1.091 413 I CA 1.184 62.575 61.300 0.151 0.000 1.368 413 I CB -0.234 37.837 38.000 0.119 0.000 1.058 413 I HN 0.209 nan 8.210 nan 0.000 0.410 414 M N -0.485 119.137 119.600 0.036 0.000 2.254 414 M HA -0.075 4.404 4.480 -0.001 0.000 0.265 414 M C 1.124 177.210 176.300 -0.357 0.000 1.066 414 M CA 1.690 56.880 55.300 -0.183 0.000 1.123 414 M CB -0.680 31.663 32.600 -0.427 0.000 1.388 414 M HN 0.121 nan 8.290 nan 0.000 0.425 415 F N -0.577 119.369 119.950 -0.006 0.000 2.791 415 F HA 0.435 4.961 4.527 -0.001 0.000 0.308 415 F C 1.770 177.326 175.800 -0.407 0.000 1.138 415 F CA -0.400 57.485 58.000 -0.192 0.000 1.294 415 F CB -0.971 37.870 39.000 -0.263 0.000 0.975 415 F HN 0.020 nan 8.300 nan 0.000 0.512 416 A N 0.963 123.609 122.820 -0.290 0.000 1.958 416 A HA -0.156 4.163 4.320 -0.001 0.000 0.221 416 A C -0.370 176.971 177.584 -0.405 0.000 1.178 416 A CA 1.839 53.677 52.037 -0.331 0.000 0.642 416 A CB -1.604 17.223 19.000 -0.287 0.000 0.816 416 A HN 0.218 nan 8.150 nan 0.000 0.453 417 P HA 0.007 nan 4.420 nan 0.000 0.229 417 P C 0.707 177.781 177.300 -0.376 0.000 1.160 417 P CA 1.276 64.131 63.100 -0.408 0.000 0.777 417 P CB -0.437 31.041 31.700 -0.371 0.000 0.814 418 T N -2.490 111.843 114.554 -0.368 0.000 2.898 418 T HA 0.092 4.441 4.350 -0.001 0.000 0.301 418 T C 1.157 175.474 174.700 -0.638 0.000 1.049 418 T CA -0.636 61.199 62.100 -0.443 0.000 1.095 418 T CB 0.533 68.937 68.868 -0.773 0.000 0.976 418 T HN -0.192 nan 8.240 nan 0.000 0.539 419 L N 2.222 122.951 121.223 -0.824 0.000 2.013 419 L HA -0.028 4.311 4.340 -0.001 0.000 0.212 419 L C 2.372 178.939 176.870 -0.506 0.000 1.073 419 L CA 1.822 56.145 54.840 -0.861 0.000 0.753 419 L CB -1.015 40.437 42.059 -1.012 0.000 0.890 419 L HN 0.933 nan 8.230 nan 0.000 0.432 420 W N -0.981 120.111 121.300 -0.346 0.000 2.418 420 W HA 0.094 4.754 4.660 -0.001 0.000 0.292 420 W C 2.035 178.425 176.519 -0.215 0.000 1.213 420 W CA 0.771 57.950 57.345 -0.276 0.000 1.283 420 W CB -1.425 27.902 29.460 -0.221 0.000 1.119 420 W HN 0.305 nan 8.180 nan 0.000 0.542 421 A N 1.884 124.259 122.820 -0.743 0.000 1.930 421 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 421 A C 2.254 179.706 177.584 -0.220 0.000 1.175 421 A CA 1.807 53.568 52.037 -0.460 0.000 0.627 421 A CB -0.744 17.857 19.000 -0.664 0.000 0.815 421 A HN 0.313 nan 8.150 nan 0.000 0.443 422 R N -1.133 119.166 120.500 -0.334 0.000 2.062 422 R HA 0.086 4.425 4.340 -0.001 0.000 0.229 422 R C 2.246 178.399 176.300 -0.246 0.000 1.128 422 R CA 1.629 57.568 56.100 -0.269 0.000 0.960 422 R CB -0.312 29.713 30.300 -0.460 0.000 0.855 422 R HN 0.501 nan 8.270 nan 0.000 0.432 423 M N -0.303 118.996 119.600 -0.503 0.000 2.334 423 M HA 0.009 4.488 4.480 -0.001 0.000 0.266 423 M C 1.859 178.064 176.300 -0.159 0.000 1.082 423 M CA 1.398 56.426 55.300 -0.453 0.000 1.141 423 M CB 0.171 32.423 32.600 -0.580 0.000 1.380 423 M HN 0.125 nan 8.290 nan 0.000 0.440 424 I N -0.718 119.631 120.570 -0.368 0.000 2.962 424 I HA -0.092 4.078 4.170 -0.001 0.000 0.246 424 I C 2.086 177.984 176.117 -0.366 0.000 1.091 424 I CA 0.342 61.157 61.300 -0.808 0.000 1.469 424 I CB -0.248 37.279 38.000 -0.790 0.000 1.324 424 I HN 0.120 nan 8.210 nan 0.000 0.461 425 L N 0.383 121.585 121.223 -0.035 0.000 2.017 425 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 425 L C 2.693 179.809 176.870 0.409 0.000 1.073 425 L CA 1.674 56.667 54.840 0.255 0.000 0.745 425 L CB -0.426 41.852 42.059 0.366 0.000 0.894 425 L HN 0.296 nan 8.230 nan 0.000 0.432 426 M N -0.984 118.846 119.600 0.385 0.000 2.086 426 M HA -0.178 4.301 4.480 -0.001 0.000 0.261 426 M C 2.322 179.113 176.300 0.818 0.000 1.067 426 M CA 2.017 57.673 55.300 0.593 0.000 1.116 426 M CB -0.679 32.142 32.600 0.368 0.000 1.348 426 M HN 0.238 nan 8.290 nan 0.000 0.407 427 T N -1.166 113.836 114.554 0.748 0.000 2.684 427 T HA -0.232 4.117 4.350 -0.001 0.000 0.267 427 T C 1.660 176.652 174.700 0.488 0.000 1.036 427 T CA 1.983 64.493 62.100 0.683 0.000 1.148 427 T CB -0.565 68.738 68.868 0.725 0.000 0.863 427 T HN 0.461 nan 8.240 nan 0.000 0.436 428 H N 0.459 119.679 119.070 0.251 0.000 2.293 428 H HA -0.021 4.534 4.556 -0.001 0.000 0.300 428 H C 1.808 177.018 175.328 -0.196 0.000 1.082 428 H CA 1.592 57.667 56.048 0.046 0.000 1.308 428 H CB -0.579 29.030 29.762 -0.256 0.000 1.375 428 H HN 0.342 nan 8.280 nan 0.000 0.495 429 F N -0.890 118.976 119.950 -0.140 0.000 2.259 429 F HA -0.025 4.501 4.527 -0.001 0.000 0.298 429 F C 2.037 177.643 175.800 -0.323 0.000 1.088 429 F CA 0.697 58.389 58.000 -0.514 0.000 1.358 429 F CB -0.601 37.798 39.000 -1.001 0.000 1.040 429 F HN 0.146 nan 8.300 nan 0.000 0.505 430 F N 0.141 120.196 119.950 0.175 0.000 2.234 430 F HA -0.216 4.310 4.527 -0.001 0.000 0.299 430 F C 2.788 178.612 175.800 0.041 0.000 1.087 430 F CA 1.401 59.505 58.000 0.174 0.000 1.340 430 F CB -0.990 38.204 39.000 0.323 0.000 1.031 430 F HN -0.008 nan 8.300 nan 0.000 0.500 431 S N -0.350 115.424 115.700 0.122 0.000 2.382 431 S HA -0.142 4.328 4.470 -0.001 0.000 0.228 431 S C 2.041 176.586 174.600 -0.090 0.000 1.027 431 S CA 1.495 59.698 58.200 0.005 0.000 0.991 431 S CB -1.026 62.174 63.200 0.000 0.000 0.823 431 S HN 0.129 nan 8.310 nan 0.000 0.469 432 V N 2.089 121.860 119.914 -0.239 0.000 2.358 432 V HA -0.052 4.068 4.120 -0.001 0.000 0.246 432 V C 2.608 178.643 176.094 -0.098 0.000 1.047 432 V CA 1.719 63.873 62.300 -0.243 0.000 1.035 432 V CB -0.801 30.761 31.823 -0.434 0.000 0.658 432 V HN 0.480 nan 8.190 nan 0.000 0.452 433 L N -0.687 120.497 121.223 -0.065 0.000 2.046 433 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 433 L C 2.368 179.256 176.870 0.029 0.000 1.077 433 L CA 1.632 56.471 54.840 -0.003 0.000 0.747 433 L CB -0.543 41.506 42.059 -0.016 0.000 0.896 433 L HN 0.268 nan 8.230 nan 0.000 0.432 434 I N 0.098 120.697 120.570 0.049 0.000 2.179 434 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 434 I C 2.839 178.967 176.117 0.018 0.000 1.088 434 I CA 1.239 62.570 61.300 0.053 0.000 1.357 434 I CB -0.459 37.579 38.000 0.064 0.000 1.051 434 I HN 0.195 nan 8.210 nan 0.000 0.409 435 A N 0.708 123.525 122.820 -0.005 0.000 1.940 435 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 435 A C 2.237 179.814 177.584 -0.011 0.000 1.176 435 A CA 1.576 53.603 52.037 -0.016 0.000 0.631 435 A CB -0.485 18.493 19.000 -0.037 0.000 0.814 435 A HN 0.393 nan 8.150 nan 0.000 0.446 436 R N -0.657 119.838 120.500 -0.008 0.000 2.393 436 R HA 0.105 4.444 4.340 -0.001 0.000 0.244 436 R C -0.645 175.659 176.300 0.006 0.000 0.920 436 R CA 0.311 56.408 56.100 -0.004 0.000 1.076 436 R CB 0.226 30.522 30.300 -0.006 0.000 1.119 436 R HN 0.350 nan 8.270 nan 0.000 0.524 437 D N 1.181 121.590 120.400 0.015 0.000 2.723 437 D HA -0.199 4.440 4.640 -0.001 0.000 0.236 437 D C -0.075 176.243 176.300 0.030 0.000 1.138 437 D CA 1.055 55.069 54.000 0.024 0.000 0.676 437 D CB -0.968 39.841 40.800 0.016 0.000 1.069 437 D HN 0.451 nan 8.370 nan 0.000 0.430 438 Q N -0.734 119.089 119.800 0.039 0.000 2.159 438 Q HA 0.278 4.617 4.340 -0.001 0.000 0.217 438 Q C 2.182 178.222 176.000 0.066 0.000 0.818 438 Q CA -0.281 55.551 55.803 0.048 0.000 1.008 438 Q CB 0.707 29.475 28.738 0.050 0.000 1.148 438 Q HN 0.347 nan 8.270 nan 0.000 0.491 439 L N 0.850 122.118 121.223 0.076 0.000 2.131 439 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 439 L C 1.598 178.529 176.870 0.103 0.000 1.092 439 L CA 1.235 56.137 54.840 0.103 0.000 0.759 439 L CB 0.059 42.202 42.059 0.141 0.000 0.903 439 L HN 0.297 nan 8.230 nan 0.000 0.435 440 E N -0.571 119.678 120.200 0.083 0.000 2.479 440 E HA 0.042 4.391 4.350 -0.001 0.000 0.193 440 E C 0.140 176.780 176.600 0.068 0.000 1.049 440 E CA 0.053 56.498 56.400 0.076 0.000 0.870 440 E CB 0.286 30.023 29.700 0.063 0.000 0.944 440 E HN 0.569 nan 8.360 nan 0.000 0.492 441 Q N 0.900 120.741 119.800 0.068 0.000 2.278 441 Q HA 0.467 4.807 4.340 -0.001 0.000 0.257 441 Q C -0.451 175.590 176.000 0.068 0.000 0.928 441 Q CA -0.488 55.353 55.803 0.064 0.000 0.932 441 Q CB 1.790 30.564 28.738 0.059 0.000 1.221 441 Q HN 0.057 nan 8.270 nan 0.000 0.434 442 A N 3.646 126.503 122.820 0.063 0.000 2.445 442 A HA 0.452 4.771 4.320 -0.001 0.000 0.242 442 A C -0.520 177.094 177.584 0.050 0.000 1.075 442 A CA -0.071 52.000 52.037 0.056 0.000 0.777 442 A CB 0.301 19.338 19.000 0.062 0.000 1.013 442 A HN 0.723 nan 8.150 nan 0.000 0.493 443 L N 1.758 122.987 121.223 0.011 0.000 2.370 443 L HA 0.372 4.712 4.340 -0.001 0.000 0.266 443 L C -0.459 176.373 176.870 -0.063 0.000 1.002 443 L CA -1.050 53.775 54.840 -0.025 0.000 0.818 443 L CB 1.957 43.956 42.059 -0.101 0.000 1.325 443 L HN 0.625 nan 8.230 nan 0.000 0.418 444 N N 1.319 119.987 118.700 -0.054 0.000 2.472 444 N HA 0.490 5.229 4.740 -0.001 0.000 0.277 444 N C -0.692 174.715 175.510 -0.172 0.000 1.081 444 N CA -0.293 52.721 53.050 -0.059 0.000 0.973 444 N CB 1.447 39.939 38.487 0.009 0.000 1.105 444 N HN 0.690 nan 8.380 nan 0.000 0.470 445 C N -0.311 118.884 119.300 -0.175 0.000 3.241 445 C HA 0.609 5.068 4.460 -0.001 0.000 0.312 445 C C -0.449 174.447 174.990 -0.156 0.000 1.350 445 C CA -0.985 57.897 59.018 -0.226 0.000 1.415 445 C CB 1.149 28.692 27.740 -0.328 0.000 1.770 445 C HN 0.633 nan 8.230 nan 0.000 0.466 446 E N 0.480 120.593 120.200 -0.145 0.000 2.183 446 E HA 0.721 5.070 4.350 -0.001 0.000 0.271 446 E C -1.102 175.423 176.600 -0.125 0.000 0.919 446 E CA -0.393 55.951 56.400 -0.093 0.000 0.781 446 E CB 1.883 31.548 29.700 -0.059 0.000 1.140 446 E HN 0.614 nan 8.360 nan 0.000 0.402 447 I N 3.491 123.988 120.570 -0.120 0.000 2.439 447 I HA 0.151 4.320 4.170 -0.001 0.000 0.285 447 I C -0.938 175.133 176.117 -0.076 0.000 1.021 447 I CA -0.859 60.280 61.300 -0.268 0.000 1.091 447 I CB 0.898 38.456 38.000 -0.736 0.000 1.242 447 I HN 0.631 nan 8.210 nan 0.000 0.439 448 Y N 5.145 125.429 120.300 -0.026 0.000 3.305 448 Y HA -0.259 4.290 4.550 -0.001 0.000 0.212 448 Y C 1.483 177.294 175.900 -0.148 0.000 1.248 448 Y CA 1.083 59.121 58.100 -0.104 0.000 1.359 448 Y CB -2.010 36.347 38.460 -0.171 0.000 1.407 448 Y HN 0.989 nan 8.280 nan 0.000 0.572 449 G N -2.184 106.659 108.800 0.072 0.000 2.253 449 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.251 449 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.251 449 G C 0.451 175.352 174.900 0.002 0.000 0.998 449 G CA 0.161 45.279 45.100 0.029 0.000 0.621 449 G HN 1.580 nan 8.290 nan 0.000 0.524 450 A N -0.455 122.360 122.820 -0.008 0.000 2.310 450 A HA 0.633 4.953 4.320 -0.001 0.000 0.299 450 A C 0.641 178.032 177.584 -0.322 0.000 1.147 450 A CA 0.426 52.312 52.037 -0.251 0.000 0.818 450 A CB 0.939 19.696 19.000 -0.404 0.000 1.096 450 A HN 1.428 nan 8.150 nan 0.000 0.495 451 C N 2.758 121.793 119.300 -0.441 0.000 2.435 451 C HA 0.703 5.162 4.460 -0.001 0.000 0.375 451 C C -0.855 173.701 174.990 -0.724 0.000 1.281 451 C CA -0.306 58.520 59.018 -0.321 0.000 1.963 451 C CB -1.448 26.296 27.740 0.007 0.000 2.490 451 C HN 0.660 nan 8.230 nan 0.000 0.557 452 Y N 2.772 122.830 120.300 -0.405 0.000 2.499 452 Y HA 0.435 4.984 4.550 -0.001 0.000 0.347 452 Y C 0.390 176.104 175.900 -0.310 0.000 0.987 452 Y CA -0.380 57.443 58.100 -0.461 0.000 1.044 452 Y CB 1.771 39.902 38.460 -0.547 0.000 1.245 452 Y HN 0.573 nan 8.280 nan 0.000 0.461 453 S N 3.886 119.522 115.700 -0.106 0.000 2.422 453 S HA 0.674 5.143 4.470 -0.001 0.000 0.298 453 S C -0.919 173.704 174.600 0.038 0.000 1.118 453 S CA -0.324 57.878 58.200 0.002 0.000 1.083 453 S CB -0.401 62.838 63.200 0.065 0.000 0.971 453 S HN 0.525 nan 8.310 nan 0.000 0.478 454 I N 3.842 124.419 120.570 0.011 0.000 2.545 454 I HA 0.360 4.529 4.170 -0.001 0.000 0.292 454 I C -0.259 175.878 176.117 0.032 0.000 1.040 454 I CA -0.743 60.580 61.300 0.038 0.000 1.068 454 I CB 2.293 40.290 38.000 -0.005 0.000 1.251 454 I HN 0.558 nan 8.210 nan 0.000 0.424 455 E N 6.790 127.031 120.200 0.068 0.000 2.194 455 E HA 0.177 4.526 4.350 -0.001 0.000 0.284 455 E C -1.772 174.883 176.600 0.091 0.000 1.035 455 E CA -1.530 54.914 56.400 0.073 0.000 0.836 455 E CB 1.181 30.928 29.700 0.080 0.000 1.070 455 E HN 0.322 nan 8.360 nan 0.000 0.401 456 P HA -0.172 nan 4.420 nan 0.000 0.219 456 P C 0.843 178.288 177.300 0.242 0.000 1.146 456 P CA 1.064 64.237 63.100 0.122 0.000 0.808 456 P CB 0.235 31.963 31.700 0.047 0.000 0.779 457 L N -0.928 120.423 121.223 0.214 0.000 2.549 457 L HA -0.085 4.254 4.340 -0.001 0.000 0.229 457 L C 1.046 178.015 176.870 0.165 0.000 1.158 457 L CA 1.000 55.979 54.840 0.232 0.000 0.842 457 L CB -0.576 41.585 42.059 0.171 0.000 0.952 457 L HN -0.059 nan 8.230 nan 0.000 0.452 458 D N -0.496 119.990 120.400 0.143 0.000 2.328 458 D HA 0.049 4.688 4.640 -0.001 0.000 0.221 458 D C 2.107 178.481 176.300 0.123 0.000 1.072 458 D CA 0.209 54.269 54.000 0.101 0.000 0.850 458 D CB 0.408 41.257 40.800 0.080 0.000 0.922 458 D HN 0.266 nan 8.370 nan 0.000 0.516 459 L N 0.879 122.217 121.223 0.192 0.000 2.042 459 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 459 L C -0.487 176.502 176.870 0.197 0.000 1.076 459 L CA 1.487 56.463 54.840 0.225 0.000 0.749 459 L CB -1.200 41.062 42.059 0.339 0.000 0.893 459 L HN 0.042 nan 8.230 nan 0.000 0.432 460 P HA -0.122 nan 4.420 nan 0.000 0.214 460 P C -1.415 175.949 177.300 0.106 0.000 1.162 460 P CA 1.570 64.710 63.100 0.067 0.000 0.879 460 P CB -1.130 30.435 31.700 -0.225 0.000 0.786 461 P HA -0.086 nan 4.420 nan 0.000 0.221 461 P C 1.624 178.931 177.300 0.011 0.000 1.150 461 P CA 1.286 64.377 63.100 -0.015 0.000 0.800 461 P CB -0.402 31.264 31.700 -0.057 0.000 0.787 462 I N -0.489 120.102 120.570 0.035 0.000 2.202 462 I HA -0.211 3.958 4.170 -0.001 0.000 0.242 462 I C 2.569 178.730 176.117 0.073 0.000 1.091 462 I CA 1.349 62.657 61.300 0.012 0.000 1.368 462 I CB -0.501 37.552 38.000 0.089 0.000 1.058 462 I HN -0.182 nan 8.210 nan 0.000 0.410 463 I N 0.221 120.892 120.570 0.169 0.000 2.226 463 I HA -0.328 3.841 4.170 -0.001 0.000 0.245 463 I C 2.685 178.841 176.117 0.065 0.000 1.100 463 I CA 1.332 62.741 61.300 0.181 0.000 1.374 463 I CB -0.411 37.700 38.000 0.184 0.000 1.057 463 I HN 0.339 nan 8.210 nan 0.000 0.413 464 Q N 0.926 120.804 119.800 0.131 0.000 2.061 464 Q HA -0.244 4.095 4.340 -0.001 0.000 0.204 464 Q C 2.418 178.420 176.000 0.003 0.000 0.984 464 Q CA 1.612 57.467 55.803 0.085 0.000 0.846 464 Q CB 0.031 28.869 28.738 0.166 0.000 0.902 464 Q HN 0.313 nan 8.270 nan 0.000 0.421 465 R N 0.010 120.495 120.500 -0.025 0.000 2.092 465 R HA -0.053 4.286 4.340 -0.001 0.000 0.231 465 R C 2.302 178.537 176.300 -0.109 0.000 1.119 465 R CA 0.998 57.053 56.100 -0.076 0.000 0.970 465 R CB -0.438 29.787 30.300 -0.126 0.000 0.864 465 R HN 0.403 nan 8.270 nan 0.000 0.440 466 L N -0.880 120.259 121.223 -0.140 0.000 2.127 466 L HA -0.052 4.287 4.340 -0.001 0.000 0.203 466 L C 1.875 178.472 176.870 -0.454 0.000 1.080 466 L CA 0.986 55.640 54.840 -0.310 0.000 0.768 466 L CB -0.239 41.593 42.059 -0.379 0.000 0.924 466 L HN 0.256 nan 8.230 nan 0.000 0.444 467 H N -0.998 118.006 119.070 -0.110 0.000 3.046 467 H HA 0.300 4.856 4.556 -0.001 0.000 0.262 467 H C 0.875 176.123 175.328 -0.134 0.000 1.044 467 H CA 0.765 56.734 56.048 -0.131 0.000 1.209 467 H CB 1.081 30.741 29.762 -0.170 0.000 1.507 467 H HN 0.287 nan 8.280 nan 0.000 0.507 468 G N 1.276 110.056 108.800 -0.033 0.000 2.746 468 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.685 468 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.685 468 G C 0.381 175.229 174.900 -0.086 0.000 1.350 468 G CA -0.159 44.919 45.100 -0.036 0.000 0.837 468 G HN 0.162 nan 8.290 nan 0.000 0.564 469 L N 1.505 122.735 121.223 0.012 0.000 2.187 469 L HA -0.034 4.306 4.340 -0.001 0.000 0.213 469 L C 3.148 180.033 176.870 0.024 0.000 1.100 469 L CA 3.200 58.107 54.840 0.111 0.000 0.765 469 L CB -0.728 41.437 42.059 0.176 0.000 0.904 469 L HN 1.326 nan 8.230 nan 0.000 0.437 470 S N -1.479 114.196 115.700 -0.041 0.000 2.447 470 S HA -0.095 4.374 4.470 -0.001 0.000 0.233 470 S C 2.106 176.620 174.600 -0.143 0.000 1.006 470 S CA 0.651 58.820 58.200 -0.051 0.000 0.957 470 S CB -0.637 62.534 63.200 -0.049 0.000 0.773 470 S HN 0.397 nan 8.310 nan 0.000 0.507 471 A N 0.722 123.355 122.820 -0.312 0.000 2.070 471 A HA 0.138 4.457 4.320 -0.001 0.000 0.220 471 A C 1.446 178.809 177.584 -0.368 0.000 1.159 471 A CA 1.005 52.780 52.037 -0.436 0.000 0.656 471 A CB -0.842 17.796 19.000 -0.603 0.000 0.800 471 A HN 0.614 nan 8.150 nan 0.000 0.453 472 F N -0.211 119.764 119.950 0.042 0.000 2.765 472 F HA 0.137 4.664 4.527 -0.001 0.000 0.302 472 F C 1.828 177.676 175.800 0.081 0.000 1.111 472 F CA 0.528 58.575 58.000 0.079 0.000 1.359 472 F CB 0.071 39.145 39.000 0.124 0.000 1.097 472 F HN 0.254 nan 8.300 nan 0.000 0.577 473 S N -1.451 114.347 115.700 0.162 0.000 2.847 473 S HA 0.300 4.769 4.470 -0.001 0.000 0.254 473 S C 0.082 174.750 174.600 0.114 0.000 1.039 473 S CA -0.352 57.933 58.200 0.141 0.000 1.113 473 S CB -0.532 62.742 63.200 0.122 0.000 1.092 473 S HN 0.059 nan 8.310 nan 0.000 0.620 474 L N 4.503 125.723 121.223 -0.005 0.000 2.490 474 L HA 0.336 4.676 4.340 -0.001 0.000 0.274 474 L C 0.849 177.635 176.870 -0.140 0.000 1.201 474 L CA 0.230 54.962 54.840 -0.180 0.000 0.869 474 L CB 0.121 41.933 42.059 -0.412 0.000 1.123 474 L HN 0.605 nan 8.230 nan 0.000 0.484 475 H N -0.048 118.805 119.070 -0.361 0.000 2.928 475 H HA 0.235 4.790 4.556 -0.001 0.000 0.285 475 H C -0.199 174.967 175.328 -0.270 0.000 1.438 475 H CA -0.809 55.080 56.048 -0.265 0.000 1.176 475 H CB 1.282 31.010 29.762 -0.057 0.000 1.864 475 H HN 0.436 nan 8.280 nan 0.000 0.567 476 S N -0.212 115.444 115.700 -0.074 0.000 3.608 476 S HA -0.217 4.252 4.470 -0.001 0.000 0.382 476 S C -0.434 174.153 174.600 -0.021 0.000 0.945 476 S CA 0.560 58.738 58.200 -0.037 0.000 1.256 476 S CB -2.546 60.549 63.200 -0.175 0.000 0.913 476 S HN 0.461 nan 8.310 nan 0.000 0.518 477 Y N 1.820 122.148 120.300 0.046 0.000 2.385 477 Y HA 0.258 4.807 4.550 -0.001 0.000 0.346 477 Y C 1.455 177.402 175.900 0.078 0.000 1.270 477 Y CA 0.413 58.548 58.100 0.059 0.000 1.472 477 Y CB 0.353 38.843 38.460 0.050 0.000 1.354 477 Y HN 0.507 nan 8.280 nan 0.000 0.611 478 S N 1.026 116.882 115.700 0.259 0.000 2.585 478 S HA 0.167 4.637 4.470 -0.001 0.000 0.273 478 S C -2.056 172.624 174.600 0.134 0.000 1.339 478 S CA -1.132 57.161 58.200 0.155 0.000 1.028 478 S CB 1.297 64.565 63.200 0.113 0.000 0.906 478 S HN 0.421 nan 8.310 nan 0.000 0.528 479 P HA 0.023 nan 4.420 nan 0.000 0.216 479 P C 1.733 179.070 177.300 0.062 0.000 1.150 479 P CA 1.537 64.681 63.100 0.074 0.000 0.837 479 P CB -0.440 31.295 31.700 0.058 0.000 0.786 480 G N -0.062 108.772 108.800 0.056 0.000 2.418 480 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 480 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 480 G C 1.671 176.596 174.900 0.043 0.000 1.158 480 G CA 0.890 46.014 45.100 0.040 0.000 0.771 480 G HN 0.268 nan 8.290 nan 0.000 0.545 481 E N 0.573 120.817 120.200 0.072 0.000 2.046 481 E HA 0.002 4.351 4.350 -0.001 0.000 0.190 481 E C 2.445 179.079 176.600 0.055 0.000 0.982 481 E CA 0.592 57.042 56.400 0.083 0.000 0.800 481 E CB -0.373 29.427 29.700 0.167 0.000 0.756 481 E HN 0.472 nan 8.360 nan 0.000 0.449 482 I N 0.957 121.567 120.570 0.066 0.000 2.208 482 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 482 I C 1.852 177.985 176.117 0.027 0.000 1.097 482 I CA 1.117 62.441 61.300 0.040 0.000 1.363 482 I CB -0.438 37.602 38.000 0.066 0.000 1.051 482 I HN 0.166 nan 8.210 nan 0.000 0.413 483 N N 0.716 119.434 118.700 0.030 0.000 2.120 483 N HA -0.205 4.535 4.740 -0.001 0.000 0.188 483 N C 1.888 177.399 175.510 0.001 0.000 1.024 483 N CA 1.173 54.235 53.050 0.019 0.000 0.852 483 N CB -0.447 38.053 38.487 0.021 0.000 1.003 483 N HN 0.341 nan 8.380 nan 0.000 0.424 484 R N 0.771 121.266 120.500 -0.008 0.000 2.075 484 R HA -0.017 4.322 4.340 -0.001 0.000 0.232 484 R C 1.841 178.103 176.300 -0.063 0.000 1.126 484 R CA 0.877 56.955 56.100 -0.038 0.000 0.963 484 R CB -0.127 30.143 30.300 -0.050 0.000 0.858 484 R HN -0.035 nan 8.270 nan 0.000 0.435 485 V N 1.016 120.899 119.914 -0.051 0.000 2.307 485 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 485 V C 2.476 178.549 176.094 -0.035 0.000 1.045 485 V CA 1.926 64.187 62.300 -0.064 0.000 1.024 485 V CB -0.745 31.065 31.823 -0.022 0.000 0.651 485 V HN 0.561 nan 8.190 nan 0.000 0.449 486 A N 0.016 122.832 122.820 -0.007 0.000 1.908 486 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 486 A C 2.407 179.996 177.584 0.007 0.000 1.181 486 A CA 2.285 54.329 52.037 0.012 0.000 0.627 486 A CB -0.804 18.210 19.000 0.024 0.000 0.818 486 A HN 0.590 nan 8.150 nan 0.000 0.445 487 A N -1.232 121.585 122.820 -0.004 0.000 1.930 487 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 487 A C 2.401 179.980 177.584 -0.008 0.000 1.175 487 A CA 1.646 53.682 52.037 -0.002 0.000 0.627 487 A CB -1.390 17.606 19.000 -0.008 0.000 0.815 487 A HN 0.850 nan 8.150 nan 0.000 0.443 488 C N -0.251 119.027 119.300 -0.036 0.000 2.429 488 C HA -0.032 4.428 4.460 -0.001 0.000 0.277 488 C C 2.614 177.589 174.990 -0.026 0.000 1.262 488 C CA 1.139 60.127 59.018 -0.051 0.000 1.733 488 C CB -1.537 26.132 27.740 -0.118 0.000 2.010 488 C HN 0.579 nan 8.230 nan 0.000 0.483 489 L N 0.330 121.545 121.223 -0.013 0.000 2.046 489 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 489 L C 3.035 179.908 176.870 0.006 0.000 1.077 489 L CA 1.695 56.542 54.840 0.011 0.000 0.747 489 L CB -0.872 41.217 42.059 0.050 0.000 0.896 489 L HN 0.357 nan 8.230 nan 0.000 0.432 490 R N 0.339 120.853 120.500 0.023 0.000 2.081 490 R HA -0.188 4.152 4.340 -0.001 0.000 0.235 490 R C 2.353 178.704 176.300 0.085 0.000 1.131 490 R CA 1.376 57.502 56.100 0.045 0.000 0.960 490 R CB -0.257 30.073 30.300 0.049 0.000 0.856 490 R HN 0.306 nan 8.270 nan 0.000 0.436 491 K N 1.074 121.518 120.400 0.074 0.000 2.057 491 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 491 K C 1.761 178.489 176.600 0.213 0.000 1.049 491 K CA 1.221 57.581 56.287 0.121 0.000 0.931 491 K CB 0.052 32.591 32.500 0.065 0.000 0.714 491 K HN 0.137 nan 8.250 nan 0.000 0.440 492 L N -0.238 121.027 121.223 0.070 0.000 2.567 492 L HA 0.177 4.517 4.340 -0.001 0.000 0.225 492 L C 0.714 177.400 176.870 -0.307 0.000 1.119 492 L CA 0.332 55.185 54.840 0.021 0.000 0.871 492 L CB 0.312 42.373 42.059 0.003 0.000 1.036 492 L HN 0.558 nan 8.230 nan 0.000 0.459 493 G N 1.205 109.655 108.800 -0.582 0.000 2.289 493 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.280 493 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.280 493 G C -0.144 174.588 174.900 -0.281 0.000 1.089 493 G CA -0.002 44.604 45.100 -0.823 0.000 0.939 493 G HN 0.088 nan 8.290 nan 0.000 0.499 494 V N 0.693 120.547 119.914 -0.101 0.000 2.481 494 V HA 0.480 4.599 4.120 -0.001 0.000 0.286 494 V C -1.248 174.921 176.094 0.124 0.000 1.042 494 V CA -1.671 60.672 62.300 0.072 0.000 0.928 494 V CB 1.686 33.588 31.823 0.130 0.000 0.986 494 V HN 0.211 nan 8.190 nan 0.000 0.462 495 P HA 0.170 nan 4.420 nan 0.000 0.269 495 P C -2.523 174.884 177.300 0.178 0.000 1.215 495 P CA -0.863 62.241 63.100 0.007 0.000 0.780 495 P CB -0.176 31.314 31.700 -0.350 0.000 0.898 496 P HA 0.069 nan 4.420 nan 0.000 0.272 496 P C 0.897 178.375 177.300 0.297 0.000 1.240 496 P CA 0.004 63.206 63.100 0.170 0.000 0.791 496 P CB 0.665 32.420 31.700 0.092 0.000 0.978 497 L N 0.202 121.600 121.223 0.291 0.000 2.079 497 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 497 L C 2.677 179.744 176.870 0.328 0.000 1.081 497 L CA 1.484 56.527 54.840 0.338 0.000 0.752 497 L CB -0.610 41.557 42.059 0.179 0.000 0.896 497 L HN 0.364 nan 8.230 nan 0.000 0.433 498 R N 0.072 120.712 120.500 0.233 0.000 2.120 498 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 498 R C 2.292 178.745 176.300 0.256 0.000 1.123 498 R CA 1.377 57.617 56.100 0.233 0.000 0.975 498 R CB -0.644 29.762 30.300 0.177 0.000 0.866 498 R HN 0.373 nan 8.270 nan 0.000 0.446 499 A N -0.344 122.562 122.820 0.144 0.000 1.898 499 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 499 A C 1.968 179.563 177.584 0.019 0.000 1.181 499 A CA 0.987 53.028 52.037 0.007 0.000 0.620 499 A CB -0.831 18.058 19.000 -0.186 0.000 0.819 499 A HN 0.399 nan 8.150 nan 0.000 0.442 500 W N -0.215 121.193 121.300 0.179 0.000 2.363 500 W HA -0.089 4.570 4.660 -0.001 0.000 0.296 500 W C 2.524 179.239 176.519 0.325 0.000 1.212 500 W CA 1.418 58.902 57.345 0.232 0.000 1.260 500 W CB -0.103 29.495 29.460 0.230 0.000 1.131 500 W HN 0.303 nan 8.180 nan 0.000 0.530 501 R N -0.317 120.511 120.500 0.546 0.000 2.081 501 R HA -0.191 4.148 4.340 -0.001 0.000 0.235 501 R C 1.793 178.167 176.300 0.123 0.000 1.131 501 R CA 2.051 58.399 56.100 0.414 0.000 0.960 501 R CB -0.633 29.886 30.300 0.365 0.000 0.856 501 R HN 0.246 nan 8.270 nan 0.000 0.436 502 H N -0.527 118.595 119.070 0.088 0.000 2.321 502 H HA -0.068 4.487 4.556 -0.001 0.000 0.300 502 H C 2.235 177.545 175.328 -0.030 0.000 1.087 502 H CA 2.194 58.243 56.048 0.002 0.000 1.319 502 H CB 0.017 29.767 29.762 -0.020 0.000 1.379 502 H HN 0.139 nan 8.280 nan 0.000 0.501 503 R N 0.305 120.875 120.500 0.116 0.000 2.081 503 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 503 R C 2.319 178.613 176.300 -0.011 0.000 1.131 503 R CA 1.146 57.269 56.100 0.038 0.000 0.960 503 R CB -0.239 30.071 30.300 0.017 0.000 0.856 503 R HN 0.343 nan 8.270 nan 0.000 0.436 504 A N 0.936 123.769 122.820 0.021 0.000 1.933 504 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 504 A C 2.112 179.446 177.584 -0.417 0.000 1.175 504 A CA 1.362 53.250 52.037 -0.249 0.000 0.628 504 A CB -0.414 18.493 19.000 -0.154 0.000 0.814 504 A HN 0.359 nan 8.150 nan 0.000 0.444 505 R N -0.294 120.043 120.500 -0.272 0.000 2.081 505 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 505 R C 2.521 178.695 176.300 -0.209 0.000 1.131 505 R CA 1.585 57.534 56.100 -0.253 0.000 0.960 505 R CB -0.393 29.787 30.300 -0.201 0.000 0.856 505 R HN 0.514 nan 8.270 nan 0.000 0.436 506 S N 0.389 115.997 115.700 -0.155 0.000 2.356 506 S HA -0.106 4.363 4.470 -0.001 0.000 0.223 506 S C 2.156 176.660 174.600 -0.160 0.000 1.032 506 S CA 1.300 59.428 58.200 -0.120 0.000 1.005 506 S CB -0.212 62.944 63.200 -0.073 0.000 0.867 506 S HN 0.066 nan 8.310 nan 0.000 0.449 507 V N 2.190 121.968 119.914 -0.227 0.000 2.282 507 V HA -0.237 3.883 4.120 -0.001 0.000 0.249 507 V C 2.529 178.426 176.094 -0.328 0.000 1.057 507 V CA 2.107 64.241 62.300 -0.276 0.000 1.032 507 V CB -0.688 30.887 31.823 -0.413 0.000 0.645 507 V HN 0.405 nan 8.190 nan 0.000 0.447 508 R N 0.212 120.437 120.500 -0.458 0.000 2.083 508 R HA -0.192 4.148 4.340 -0.001 0.000 0.237 508 R C 2.322 178.527 176.300 -0.159 0.000 1.137 508 R CA 1.821 57.734 56.100 -0.311 0.000 0.951 508 R CB -0.508 29.614 30.300 -0.296 0.000 0.851 508 R HN 0.482 nan 8.270 nan 0.000 0.434 509 A N 0.927 123.659 122.820 -0.147 0.000 1.908 509 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 509 A C 2.219 179.763 177.584 -0.066 0.000 1.181 509 A CA 1.663 53.644 52.037 -0.093 0.000 0.627 509 A CB -0.564 18.384 19.000 -0.085 0.000 0.818 509 A HN 0.418 nan 8.150 nan 0.000 0.445 510 R N -0.514 119.945 120.500 -0.067 0.000 2.092 510 R HA 0.004 4.344 4.340 -0.001 0.000 0.231 510 R C 1.954 178.248 176.300 -0.011 0.000 1.119 510 R CA 1.269 57.349 56.100 -0.033 0.000 0.970 510 R CB -0.376 29.907 30.300 -0.027 0.000 0.864 510 R HN 0.537 nan 8.270 nan 0.000 0.440 511 L N 0.163 121.375 121.223 -0.017 0.000 2.056 511 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 511 L C 2.288 179.163 176.870 0.008 0.000 1.078 511 L CA 1.063 55.912 54.840 0.016 0.000 0.749 511 L CB -0.380 41.685 42.059 0.010 0.000 0.901 511 L HN 0.256 nan 8.230 nan 0.000 0.433 512 L N -0.270 120.944 121.223 -0.015 0.000 2.042 512 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 512 L C 2.829 179.695 176.870 -0.007 0.000 1.076 512 L CA 1.640 56.472 54.840 -0.014 0.000 0.749 512 L CB -0.664 41.375 42.059 -0.033 0.000 0.893 512 L HN 0.417 nan 8.230 nan 0.000 0.432 513 S N -0.300 115.394 115.700 -0.010 0.000 2.500 513 S HA -0.164 4.305 4.470 -0.001 0.000 0.239 513 S C 1.884 176.487 174.600 0.006 0.000 0.989 513 S CA 0.752 58.949 58.200 -0.005 0.000 0.951 513 S CB -0.320 62.875 63.200 -0.009 0.000 0.759 513 S HN 0.432 nan 8.310 nan 0.000 0.523 514 R N 0.862 121.370 120.500 0.015 0.000 2.280 514 R HA 0.326 4.665 4.340 -0.001 0.000 0.195 514 R C 1.527 177.842 176.300 0.025 0.000 0.935 514 R CA 0.322 56.437 56.100 0.025 0.000 1.033 514 R CB -0.407 29.918 30.300 0.041 0.000 0.964 514 R HN 0.532 nan 8.270 nan 0.000 0.489 515 G N 0.443 109.255 108.800 0.020 0.000 2.740 515 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.250 515 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.250 515 G C 0.490 175.407 174.900 0.028 0.000 1.358 515 G CA -0.300 44.812 45.100 0.020 0.000 0.897 515 G HN 0.619 nan 8.290 nan 0.000 0.567 516 G N -1.059 107.756 108.800 0.025 0.000 2.574 516 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.282 516 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.282 516 G C 1.139 176.057 174.900 0.031 0.000 1.257 516 G CA 1.331 46.447 45.100 0.027 0.000 0.956 516 G HN 1.429 nan 8.290 nan 0.000 0.560 517 R N 0.223 120.745 120.500 0.037 0.000 2.120 517 R HA 0.057 4.397 4.340 -0.001 0.000 0.234 517 R C 3.210 179.547 176.300 0.061 0.000 1.123 517 R CA 1.885 58.010 56.100 0.041 0.000 0.975 517 R CB -0.556 29.776 30.300 0.054 0.000 0.866 517 R HN 0.689 nan 8.270 nan 0.000 0.446 518 A N 1.180 124.046 122.820 0.077 0.000 1.933 518 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 518 A C 2.331 179.947 177.584 0.054 0.000 1.175 518 A CA 1.640 53.733 52.037 0.094 0.000 0.628 518 A CB -0.486 18.575 19.000 0.102 0.000 0.814 518 A HN 0.389 nan 8.150 nan 0.000 0.444 519 A N -0.263 122.582 122.820 0.041 0.000 1.969 519 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 519 A C 2.060 179.670 177.584 0.043 0.000 1.169 519 A CA 1.298 53.353 52.037 0.030 0.000 0.635 519 A CB -0.522 18.493 19.000 0.024 0.000 0.810 519 A HN 0.501 nan 8.150 nan 0.000 0.445 520 I N -0.769 119.830 120.570 0.048 0.000 2.252 520 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 520 I C 2.422 178.566 176.117 0.045 0.000 1.102 520 I CA 0.898 62.242 61.300 0.072 0.000 1.385 520 I CB -0.455 37.520 38.000 -0.041 0.000 1.064 520 I HN 0.368 nan 8.210 nan 0.000 0.414 521 C N 0.885 120.175 119.300 -0.016 0.000 2.413 521 C HA -0.136 4.324 4.460 -0.001 0.000 0.276 521 C C 2.991 177.931 174.990 -0.082 0.000 1.236 521 C CA 1.207 60.155 59.018 -0.116 0.000 1.735 521 C CB -1.741 25.885 27.740 -0.190 0.000 2.031 521 C HN 0.672 nan 8.230 nan 0.000 0.474 522 G N 0.117 108.922 108.800 0.009 0.000 2.421 522 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.216 522 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.216 522 G C 1.609 176.536 174.900 0.045 0.000 1.171 522 G CA 1.156 46.310 45.100 0.091 0.000 0.775 522 G HN 0.651 nan 8.290 nan 0.000 0.543 523 K N -0.743 119.653 120.400 -0.006 0.000 2.026 523 K HA -0.094 4.225 4.320 -0.001 0.000 0.208 523 K C 2.206 178.668 176.600 -0.230 0.000 1.048 523 K CA 1.334 57.556 56.287 -0.108 0.000 0.929 523 K CB -0.315 32.126 32.500 -0.099 0.000 0.713 523 K HN 0.461 nan 8.250 nan 0.000 0.439 524 Y N 0.398 120.516 120.300 -0.304 0.000 2.262 524 Y HA 0.032 4.581 4.550 -0.001 0.000 0.295 524 Y C 2.044 177.659 175.900 -0.476 0.000 1.121 524 Y CA 0.519 58.284 58.100 -0.559 0.000 1.144 524 Y CB 0.111 37.972 38.460 -0.998 0.000 1.043 524 Y HN -0.064 nan 8.280 nan 0.000 0.528 525 L N -1.484 119.576 121.223 -0.271 0.000 2.217 525 L HA -0.132 4.207 4.340 -0.001 0.000 0.211 525 L C 0.518 177.105 176.870 -0.471 0.000 1.107 525 L CA 1.282 55.901 54.840 -0.369 0.000 0.783 525 L CB -0.222 41.385 42.059 -0.753 0.000 0.919 525 L HN 0.223 nan 8.230 nan 0.000 0.442 526 F N -1.807 118.082 119.950 -0.103 0.000 2.764 526 F HA 0.187 4.713 4.527 -0.001 0.000 0.310 526 F C 1.534 177.014 175.800 -0.534 0.000 1.124 526 F CA -0.453 57.270 58.000 -0.461 0.000 1.252 526 F CB -0.490 38.253 39.000 -0.429 0.000 1.010 526 F HN -0.094 nan 8.300 nan 0.000 0.518 527 N N 1.133 119.750 118.700 -0.138 0.000 2.289 527 N HA -0.194 4.545 4.740 -0.001 0.000 0.184 527 N C 1.984 177.463 175.510 -0.051 0.000 1.016 527 N CA 1.629 54.617 53.050 -0.104 0.000 0.872 527 N CB -0.183 38.265 38.487 -0.066 0.000 0.973 527 N HN 0.538 nan 8.380 nan 0.000 0.433 528 W N -0.583 120.762 121.300 0.074 0.000 2.421 528 W HA 0.120 4.779 4.660 -0.001 0.000 0.270 528 W C 1.196 177.764 176.519 0.082 0.000 1.233 528 W CA 0.688 58.082 57.345 0.081 0.000 1.226 528 W CB -0.793 28.733 29.460 0.109 0.000 1.121 528 W HN 0.064 nan 8.180 nan 0.000 0.579 529 A N 1.363 123.846 122.820 -0.562 0.000 2.178 529 A HA 0.254 4.573 4.320 -0.001 0.000 0.211 529 A C 0.944 178.375 177.584 -0.255 0.000 1.157 529 A CA 0.874 52.561 52.037 -0.583 0.000 0.780 529 A CB -0.724 17.615 19.000 -1.102 0.000 0.828 529 A HN 0.117 nan 8.150 nan 0.000 0.476 530 V N -3.778 116.025 119.914 -0.185 0.000 2.732 530 V HA 0.533 4.652 4.120 -0.001 0.000 0.310 530 V C 1.064 177.115 176.094 -0.071 0.000 1.053 530 V CA -0.723 61.499 62.300 -0.130 0.000 0.957 530 V CB 1.493 33.236 31.823 -0.132 0.000 1.018 530 V HN 0.340 nan 8.190 nan 0.000 0.452 531 R N 1.068 121.529 120.500 -0.064 0.000 2.073 531 R HA 0.039 4.378 4.340 -0.001 0.000 0.229 531 R C 0.713 176.987 176.300 -0.044 0.000 1.120 531 R CA 1.382 57.456 56.100 -0.042 0.000 0.967 531 R CB -0.105 30.171 30.300 -0.040 0.000 0.862 531 R HN 0.880 nan 8.270 nan 0.000 0.436 532 T N 2.987 117.510 114.554 -0.053 0.000 2.997 532 T HA 0.169 4.519 4.350 -0.001 0.000 0.311 532 T C -0.663 174.000 174.700 -0.061 0.000 1.079 532 T CA -0.407 61.662 62.100 -0.052 0.000 0.982 532 T CB 0.754 69.592 68.868 -0.050 0.000 1.032 532 T HN -0.005 nan 8.240 nan 0.000 0.581 533 K N 2.943 123.309 120.400 -0.057 0.000 2.436 533 K HA 0.250 4.569 4.320 -0.001 0.000 0.275 533 K C 0.320 176.874 176.600 -0.076 0.000 0.999 533 K CA -0.188 56.061 56.287 -0.064 0.000 0.980 533 K CB 0.898 33.369 32.500 -0.050 0.000 0.919 533 K HN 0.510 nan 8.250 nan 0.000 0.484 534 L N 2.182 123.344 121.223 -0.103 0.000 2.399 534 L HA 0.202 4.541 4.340 -0.001 0.000 0.266 534 L C 0.532 177.326 176.870 -0.127 0.000 1.114 534 L CA -0.953 53.815 54.840 -0.120 0.000 0.804 534 L CB 0.523 42.485 42.059 -0.161 0.000 1.146 534 L HN 0.257 nan 8.230 nan 0.000 0.451 535 K N 2.764 123.099 120.400 -0.107 0.000 2.349 535 K HA 0.356 4.675 4.320 -0.001 0.000 0.288 535 K C -0.788 175.727 176.600 -0.142 0.000 1.058 535 K CA 0.275 56.508 56.287 -0.090 0.000 0.953 535 K CB 0.234 32.703 32.500 -0.052 0.000 0.997 535 K HN 0.358 nan 8.250 nan 0.000 0.477 536 L N 3.996 125.139 121.223 -0.134 0.000 2.262 536 L HA 0.342 4.681 4.340 -0.001 0.000 0.288 536 L C 0.556 177.450 176.870 0.040 0.000 1.035 536 L CA -0.743 53.980 54.840 -0.195 0.000 0.820 536 L CB 1.041 42.964 42.059 -0.226 0.000 1.204 536 L HN 0.694 nan 8.230 nan 0.000 0.424 537 T N 0.591 115.211 114.554 0.109 0.000 2.944 537 T HA 0.572 4.921 4.350 -0.001 0.000 0.284 537 T C -2.572 172.269 174.700 0.235 0.000 1.010 537 T CA -2.299 59.890 62.100 0.148 0.000 1.025 537 T CB 1.467 70.394 68.868 0.097 0.000 1.079 537 T HN 0.162 nan 8.240 nan 0.000 0.516 538 P HA 0.218 nan 4.420 nan 0.000 0.265 538 P C -0.495 176.845 177.300 0.066 0.000 1.193 538 P CA -0.122 63.046 63.100 0.115 0.000 0.765 538 P CB 0.112 31.853 31.700 0.069 0.000 0.823 539 I N 2.171 122.731 120.570 -0.018 0.000 2.396 539 I HA 0.090 4.259 4.170 -0.001 0.000 0.289 539 I C 1.613 177.695 176.117 -0.058 0.000 1.056 539 I CA -0.210 61.021 61.300 -0.115 0.000 1.365 539 I CB 1.024 38.856 38.000 -0.279 0.000 1.407 539 I HN 0.424 nan 8.210 nan 0.000 0.509 540 A N 5.976 128.772 122.820 -0.040 0.000 1.892 540 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 540 A C 2.412 179.973 177.584 -0.037 0.000 1.188 540 A CA 2.088 54.110 52.037 -0.026 0.000 0.631 540 A CB -0.659 18.331 19.000 -0.016 0.000 0.822 540 A HN 0.868 nan 8.150 nan 0.000 0.447 541 A N -0.385 122.405 122.820 -0.050 0.000 2.024 541 A HA 0.144 4.463 4.320 -0.001 0.000 0.220 541 A C 2.419 179.969 177.584 -0.057 0.000 1.164 541 A CA 2.000 54.007 52.037 -0.049 0.000 0.643 541 A CB -0.900 18.070 19.000 -0.051 0.000 0.806 541 A HN 1.115 nan 8.150 nan 0.000 0.451 542 A N -0.290 122.493 122.820 -0.062 0.000 1.883 542 A HA 0.096 4.416 4.320 -0.001 0.000 0.217 542 A C 2.147 179.691 177.584 -0.065 0.000 1.186 542 A CA 1.628 53.627 52.037 -0.063 0.000 0.624 542 A CB -1.263 17.710 19.000 -0.046 0.000 0.822 542 A HN 0.907 nan 8.150 nan 0.000 0.444 543 G N -1.620 107.150 108.800 -0.049 0.000 3.295 543 G HA2 0.256 4.216 3.960 -0.001 0.000 0.231 543 G HA3 0.256 4.216 3.960 -0.001 0.000 0.231 543 G C 0.979 175.850 174.900 -0.049 0.000 1.277 543 G CA 0.131 45.204 45.100 -0.046 0.000 1.013 543 G HN 0.521 nan 8.290 nan 0.000 0.509 544 R N -1.299 119.165 120.500 -0.059 0.000 2.551 544 R HA 0.206 4.545 4.340 -0.001 0.000 0.316 544 R C 0.177 176.433 176.300 -0.073 0.000 0.934 544 R CA -0.438 55.628 56.100 -0.056 0.000 1.117 544 R CB 0.382 30.658 30.300 -0.040 0.000 1.626 544 R HN 0.214 nan 8.270 nan 0.000 0.513 545 L N 2.433 123.595 121.223 -0.101 0.000 2.455 545 L HA 0.023 4.362 4.340 -0.001 0.000 0.272 545 L C 0.079 176.845 176.870 -0.175 0.000 1.174 545 L CA 0.132 54.886 54.840 -0.142 0.000 0.869 545 L CB 0.341 42.284 42.059 -0.194 0.000 1.130 545 L HN -0.045 nan 8.230 nan 0.000 0.474 546 D N 4.595 124.898 120.400 -0.162 0.000 2.453 546 D HA 0.171 4.810 4.640 -0.001 0.000 0.223 546 D C 0.435 176.560 176.300 -0.291 0.000 1.183 546 D CA 0.025 53.928 54.000 -0.161 0.000 0.933 546 D CB 0.491 41.243 40.800 -0.079 0.000 1.038 546 D HN 0.355 nan 8.370 nan 0.000 0.513 547 L N 1.941 122.916 121.223 -0.415 0.000 2.741 547 L HA 0.194 4.533 4.340 -0.001 0.000 0.237 547 L C 0.616 177.259 176.870 -0.378 0.000 1.178 547 L CA -0.335 54.037 54.840 -0.781 0.000 0.973 547 L CB -0.001 41.535 42.059 -0.871 0.000 1.255 547 L HN 0.154 nan 8.230 nan 0.000 0.498 548 S N 1.044 116.649 115.700 -0.159 0.000 2.596 548 S HA 0.197 4.666 4.470 -0.001 0.000 0.298 548 S C 1.309 175.952 174.600 0.072 0.000 1.255 548 S CA 0.920 59.100 58.200 -0.032 0.000 1.083 548 S CB 0.473 63.658 63.200 -0.024 0.000 0.837 548 S HN 0.712 nan 8.310 nan 0.000 0.499 549 G N 2.876 111.740 108.800 0.108 0.000 2.176 549 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.253 549 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.253 549 G C 0.721 175.787 174.900 0.276 0.000 0.979 549 G CA 0.203 45.402 45.100 0.166 0.000 0.641 549 G HN 0.674 nan 8.290 nan 0.000 0.530 550 W N 0.290 121.499 121.300 -0.153 0.000 2.332 550 W HA 0.306 4.965 4.660 -0.002 0.000 0.321 550 W C 1.491 177.616 176.519 -0.657 0.000 1.219 550 W CA 1.521 58.542 57.345 -0.540 0.000 1.277 550 W CB -0.621 28.348 29.460 -0.818 0.000 1.161 550 W HN 0.245 nan 8.180 nan 0.000 0.476 551 F N 0.333 120.409 119.950 0.210 0.000 2.438 551 F HA 0.227 4.753 4.527 -0.001 0.000 0.315 551 F C 1.086 177.011 175.800 0.209 0.000 1.258 551 F CA 0.106 58.214 58.000 0.179 0.000 1.180 551 F CB -0.001 39.060 39.000 0.101 0.000 1.412 551 F HN -0.221 nan 8.300 nan 0.000 0.544 552 T N -2.226 112.523 114.554 0.326 0.000 3.058 552 T HA 0.683 5.032 4.350 -0.001 0.000 0.247 552 T C 0.598 175.441 174.700 0.237 0.000 0.987 552 T CA 0.366 62.606 62.100 0.234 0.000 1.062 552 T CB 0.382 69.367 68.868 0.193 0.000 1.048 552 T HN 0.218 nan 8.240 nan 0.000 0.468 553 A N 0.185 123.131 122.820 0.210 0.000 2.566 553 A HA 0.818 5.137 4.320 -0.001 0.000 0.292 553 A C -0.093 177.265 177.584 -0.377 0.000 1.112 553 A CA -0.481 51.565 52.037 0.014 0.000 0.707 553 A CB 1.126 20.007 19.000 -0.197 0.000 1.302 553 A HN 0.639 nan 8.150 nan 0.000 0.409 554 G N -1.123 107.239 108.800 -0.730 0.000 2.367 554 G HA2 0.533 4.492 3.960 -0.001 0.000 0.314 554 G HA3 0.533 4.492 3.960 -0.001 0.000 0.314 554 G C -0.857 173.483 174.900 -0.932 0.000 1.130 554 G CA -0.052 44.265 45.100 -1.306 0.000 0.864 554 G HN 0.586 nan 8.290 nan 0.000 0.486 555 Y N 0.614 120.732 120.300 -0.303 0.000 2.779 555 Y HA 0.270 4.819 4.550 -0.001 0.000 0.251 555 Y C 1.315 177.149 175.900 -0.111 0.000 1.145 555 Y CA -0.762 57.252 58.100 -0.144 0.000 1.201 555 Y CB 0.436 38.834 38.460 -0.103 0.000 1.281 555 Y HN 0.392 nan 8.280 nan 0.000 0.563 556 S N 0.781 116.460 115.700 -0.035 0.000 2.544 556 S HA 0.299 4.768 4.470 -0.001 0.000 0.290 556 S C 1.344 175.971 174.600 0.046 0.000 1.276 556 S CA 1.339 59.547 58.200 0.013 0.000 1.075 556 S CB 0.208 63.417 63.200 0.015 0.000 0.849 556 S HN 0.912 nan 8.310 nan 0.000 0.494 557 G N 2.987 111.817 108.800 0.050 0.000 2.205 557 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.261 557 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.261 557 G C 0.819 175.756 174.900 0.062 0.000 0.980 557 G CA 0.277 45.414 45.100 0.062 0.000 0.632 557 G HN 1.045 nan 8.290 nan 0.000 0.533 558 G N -0.128 108.713 108.800 0.068 0.000 2.985 558 G HA2 0.384 4.343 3.960 -0.001 0.000 0.209 558 G HA3 0.384 4.343 3.960 -0.001 0.000 0.209 558 G C 0.501 175.419 174.900 0.030 0.000 1.165 558 G CA 1.195 46.349 45.100 0.089 0.000 0.776 558 G HN 1.220 nan 8.290 nan 0.000 0.541 559 D N -0.529 119.853 120.400 -0.030 0.000 2.716 559 D HA -0.159 4.480 4.640 -0.001 0.000 0.239 559 D C -0.147 176.066 176.300 -0.145 0.000 1.125 559 D CA 0.343 54.286 54.000 -0.095 0.000 0.681 559 D CB -1.215 39.541 40.800 -0.074 0.000 1.070 559 D HN 0.115 nan 8.370 nan 0.000 0.432 560 I N 1.308 121.758 120.570 -0.201 0.000 2.404 560 I HA 0.377 4.546 4.170 -0.001 0.000 0.293 560 I C -0.127 175.727 176.117 -0.439 0.000 0.992 560 I CA -0.766 60.309 61.300 -0.374 0.000 1.149 560 I CB 1.284 38.919 38.000 -0.607 0.000 1.315 560 I HN 0.117 nan 8.210 nan 0.000 0.446 561 Y N 5.935 125.888 120.300 -0.579 0.000 2.346 561 Y HA 0.468 5.017 4.550 -0.001 0.000 0.332 561 Y C -0.558 175.046 175.900 -0.493 0.000 0.985 561 Y CA -0.414 57.372 58.100 -0.523 0.000 1.112 561 Y CB 1.218 39.470 38.460 -0.345 0.000 1.170 561 Y HN 0.639 nan 8.280 nan 0.000 0.447 562 H N 0.000 118.494 119.070 -0.961 0.000 2.539 562 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 562 H CA 0.000 55.624 56.048 -0.707 0.000 1.023 562 H CB 0.000 29.307 29.762 -0.759 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496