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 2pbi_1_C DATA FIRST_RESID 7 DATA SEQUENCE GQQYRPRMAF LQKIEALVKD MQNPETGVRM HNQRVLVTSV PHAMTGGDVL DATA SEQUENCE QWITQRLWIS NLEAQNLGNF IVKYGYIYPL QDPKNLILKP DSSLYRFQTP DATA SEQUENCE YFWPTQQWPA EDTDYAIYLA KRNIKKKGIL EEYEKENYDF LNKKINYKWD DATA SEQUENCE FVIMQAKEQY RTGKERNKAD RYALDCQEKA YWLVHRSPPG MNNVLDYGLD DATA SEQUENCE RVTNPNEVKK QTVTAVRKEI MYYQQALMRS TVKSSVSLGG IVKYSEQFSS DATA SEQUENCE NDAIMSGCLP SNPWITDDTQ FWDLNAKLVE IPTKMRVERW AFNFSELIRD DATA SEQUENCE PKGRQSFQYF LKKEFSGENL GFWEACEDLK YGDQSKVKEK AEEIYKLFLA DATA SEQUENCE PGARRWINID GKTMDITVKG LRHPHRYVLD AAQTHIYMLM KKDSYARYLK DATA SEQUENCE SPIYKEMLAK AIEPQ 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 7 G HA2 0.000 nan 3.960 nan 0.000 0.244 7 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 7 G C 0.000 174.898 174.900 -0.004 0.000 0.946 7 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 8 Q N -0.504 119.289 119.800 -0.011 0.000 2.356 8 Q HA 0.635 4.975 4.340 -0.000 0.000 0.270 8 Q C 0.250 176.204 176.000 -0.077 0.000 1.058 8 Q CA -0.468 55.327 55.803 -0.013 0.000 0.802 8 Q CB 2.812 31.568 28.738 0.030 0.000 1.303 8 Q HN 0.569 nan 8.270 nan 0.000 0.444 9 Q N 0.422 120.105 119.800 -0.196 0.000 2.369 9 Q HA 0.221 4.561 4.340 -0.000 0.000 0.254 9 Q C -0.594 175.123 176.000 -0.472 0.000 0.858 9 Q CA 0.335 55.863 55.803 -0.458 0.000 0.961 9 Q CB 1.031 29.216 28.738 -0.921 0.000 1.119 9 Q HN 0.569 nan 8.270 nan 0.000 0.538 10 Y N 0.512 120.813 120.300 0.002 0.000 2.409 10 Y HA 0.423 4.973 4.550 -0.000 0.000 0.339 10 Y C -0.081 175.767 175.900 -0.087 0.000 1.033 10 Y CA -1.181 56.893 58.100 -0.044 0.000 1.094 10 Y CB 1.150 39.574 38.460 -0.061 0.000 1.210 10 Y HN -0.206 nan 8.280 nan 0.000 0.456 11 R N 4.090 124.587 120.500 -0.004 0.000 2.537 11 R HA 0.150 4.490 4.340 -0.000 0.000 0.280 11 R C -2.332 173.814 176.300 -0.256 0.000 1.058 11 R CA -1.427 54.502 56.100 -0.285 0.000 1.057 11 R CB 0.005 30.117 30.300 -0.313 0.000 0.973 11 R HN 0.369 nan 8.270 nan 0.000 0.438 12 P HA 0.045 nan 4.420 nan 0.000 0.274 12 P C -0.700 176.505 177.300 -0.159 0.000 1.256 12 P CA -0.296 62.697 63.100 -0.179 0.000 0.795 12 P CB 0.637 32.263 31.700 -0.124 0.000 1.038 13 R N 0.623 121.066 120.500 -0.095 0.000 2.698 13 R HA 0.202 4.542 4.340 -0.000 0.000 0.266 13 R C 0.362 176.639 176.300 -0.039 0.000 1.026 13 R CA 0.554 56.607 56.100 -0.078 0.000 1.102 13 R CB -0.123 30.143 30.300 -0.056 0.000 0.978 13 R HN 0.531 nan 8.270 nan 0.000 0.436 14 M N 2.323 121.885 119.600 -0.063 0.000 2.353 14 M HA 0.190 4.670 4.480 -0.000 0.000 0.218 14 M C 0.352 176.545 176.300 -0.179 0.000 1.044 14 M CA -0.190 55.085 55.300 -0.041 0.000 0.615 14 M CB 1.876 34.393 32.600 -0.138 0.000 1.531 14 M HN 0.784 nan 8.290 nan 0.000 0.378 15 A N 1.003 123.801 122.820 -0.035 0.000 2.070 15 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 15 A C 1.676 179.209 177.584 -0.085 0.000 1.159 15 A CA 1.437 53.438 52.037 -0.059 0.000 0.656 15 A CB -0.672 18.326 19.000 -0.003 0.000 0.800 15 A HN 0.859 nan 8.150 nan 0.000 0.453 16 F N -0.646 119.245 119.950 -0.097 0.000 2.365 16 F HA -0.013 4.514 4.527 -0.000 0.000 0.300 16 F C 1.514 177.216 175.800 -0.163 0.000 1.090 16 F CA 0.861 58.778 58.000 -0.138 0.000 1.408 16 F CB -0.671 38.224 39.000 -0.175 0.000 1.060 16 F HN 0.099 nan 8.300 nan 0.000 0.534 17 L N 0.493 121.158 121.223 -0.929 0.000 2.017 17 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 17 L C 3.017 179.716 176.870 -0.285 0.000 1.073 17 L CA 1.812 56.254 54.840 -0.662 0.000 0.745 17 L CB -0.983 40.718 42.059 -0.596 0.000 0.894 17 L HN 0.323 nan 8.230 nan 0.000 0.432 18 Q N 1.128 120.807 119.800 -0.202 0.000 2.096 18 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 18 Q C 2.046 177.981 176.000 -0.108 0.000 0.982 18 Q CA 1.789 57.529 55.803 -0.104 0.000 0.850 18 Q CB 0.022 28.717 28.738 -0.071 0.000 0.901 18 Q HN 0.507 nan 8.270 nan 0.000 0.422 19 K N 0.053 120.385 120.400 -0.113 0.000 2.057 19 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 19 K C 2.325 178.844 176.600 -0.135 0.000 1.050 19 K CA 1.374 57.610 56.287 -0.085 0.000 0.935 19 K CB -0.100 32.374 32.500 -0.044 0.000 0.715 19 K HN 0.242 nan 8.250 nan 0.000 0.439 20 I N 1.390 121.828 120.570 -0.220 0.000 2.179 20 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 20 I C 2.151 177.951 176.117 -0.530 0.000 1.088 20 I CA 1.411 62.467 61.300 -0.406 0.000 1.357 20 I CB -0.358 37.243 38.000 -0.664 0.000 1.051 20 I HN 0.221 nan 8.210 nan 0.000 0.409 21 E N 1.061 120.973 120.200 -0.480 0.000 2.097 21 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 21 E C 2.346 178.851 176.600 -0.159 0.000 1.000 21 E CA 1.459 57.638 56.400 -0.369 0.000 0.804 21 E CB -0.210 29.445 29.700 -0.075 0.000 0.740 21 E HN 0.533 nan 8.360 nan 0.000 0.454 22 A N 0.993 123.754 122.820 -0.097 0.000 1.902 22 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 22 A C 2.162 179.736 177.584 -0.017 0.000 1.181 22 A CA 1.165 53.186 52.037 -0.028 0.000 0.623 22 A CB -0.553 18.438 19.000 -0.015 0.000 0.818 22 A HN 0.227 nan 8.150 nan 0.000 0.443 23 L N -0.216 120.979 121.223 -0.048 0.000 2.056 23 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 23 L C 2.421 179.279 176.870 -0.020 0.000 1.078 23 L CA 1.754 56.608 54.840 0.025 0.000 0.749 23 L CB -0.378 41.693 42.059 0.021 0.000 0.901 23 L HN 0.160 nan 8.230 nan 0.000 0.433 24 V N -0.276 119.552 119.914 -0.143 0.000 2.343 24 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 24 V C 2.537 178.533 176.094 -0.164 0.000 1.051 24 V CA 2.066 64.276 62.300 -0.149 0.000 1.036 24 V CB -0.705 30.965 31.823 -0.256 0.000 0.654 24 V HN 0.457 nan 8.190 nan 0.000 0.451 25 K N -0.236 120.128 120.400 -0.060 0.000 2.103 25 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 25 K C 1.873 178.440 176.600 -0.055 0.000 1.048 25 K CA 1.659 57.931 56.287 -0.025 0.000 0.930 25 K CB -0.286 32.249 32.500 0.058 0.000 0.716 25 K HN 0.459 nan 8.250 nan 0.000 0.444 26 D N 0.645 121.047 120.400 0.003 0.000 2.144 26 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 26 D C 1.787 178.066 176.300 -0.035 0.000 0.978 26 D CA 1.148 55.213 54.000 0.108 0.000 0.833 26 D CB -0.011 40.975 40.800 0.311 0.000 0.961 26 D HN 0.220 nan 8.370 nan 0.000 0.470 27 M N 0.024 119.392 119.600 -0.387 0.000 2.296 27 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 27 M C 1.772 177.811 176.300 -0.435 0.000 1.064 27 M CA 1.080 55.890 55.300 -0.817 0.000 1.109 27 M CB -0.033 32.242 32.600 -0.542 0.000 1.396 27 M HN -0.059 nan 8.290 nan 0.000 0.430 28 Q N -0.045 119.476 119.800 -0.465 0.000 2.392 28 Q HA 0.078 4.418 4.340 -0.000 0.000 0.203 28 Q C 0.457 176.351 176.000 -0.177 0.000 0.917 28 Q CA -0.220 55.300 55.803 -0.471 0.000 0.939 28 Q CB 0.058 28.432 28.738 -0.607 0.000 1.063 28 Q HN 0.410 nan 8.270 nan 0.000 0.516 29 N N 2.039 120.680 118.700 -0.097 0.000 2.411 29 N HA -0.051 4.688 4.740 -0.000 0.000 0.261 29 N C -2.007 173.514 175.510 0.018 0.000 1.248 29 N CA -0.826 52.219 53.050 -0.008 0.000 0.885 29 N CB 1.144 39.667 38.487 0.059 0.000 1.062 29 N HN -0.078 nan 8.380 nan 0.000 0.471 30 P HA -0.078 nan 4.420 nan 0.000 0.218 30 P C 0.382 177.712 177.300 0.050 0.000 1.148 30 P CA 1.412 64.529 63.100 0.027 0.000 0.822 30 P CB 0.375 32.084 31.700 0.014 0.000 0.784 31 E N -1.782 118.454 120.200 0.061 0.000 2.201 31 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 31 E C 1.338 178.006 176.600 0.113 0.000 0.957 31 E CA 1.406 57.850 56.400 0.073 0.000 0.858 31 E CB -0.043 29.691 29.700 0.057 0.000 0.816 31 E HN 0.297 nan 8.360 nan 0.000 0.475 32 T N -2.364 112.281 114.554 0.152 0.000 3.040 32 T HA 0.270 4.620 4.350 -0.000 0.000 0.266 32 T C 0.911 175.885 174.700 0.456 0.000 1.005 32 T CA -0.063 62.185 62.100 0.246 0.000 0.906 32 T CB 0.693 69.685 68.868 0.207 0.000 1.082 32 T HN 0.062 nan 8.240 nan 0.000 0.531 33 G N 1.538 110.495 108.800 0.262 0.000 2.525 33 G HA2 0.470 4.430 3.960 -0.000 0.000 0.276 33 G HA3 0.470 4.430 3.960 -0.000 0.000 0.276 33 G C -0.264 174.633 174.900 -0.005 0.000 1.388 33 G CA -0.543 44.591 45.100 0.057 0.000 1.050 33 G HN 0.347 nan 8.290 nan 0.000 0.520 34 V N 0.714 120.437 119.914 -0.317 0.000 2.655 34 V HA 0.117 4.237 4.120 -0.000 0.000 0.300 34 V C 1.279 177.418 176.094 0.075 0.000 1.044 34 V CA -0.398 61.836 62.300 -0.111 0.000 1.095 34 V CB 0.923 32.652 31.823 -0.157 0.000 0.952 34 V HN 0.739 nan 8.190 nan 0.000 0.485 35 R N 5.147 125.728 120.500 0.135 0.000 2.504 35 R HA 0.036 4.375 4.340 -0.000 0.000 0.291 35 R C -0.299 176.075 176.300 0.123 0.000 0.974 35 R CA -0.146 56.031 56.100 0.129 0.000 1.077 35 R CB 0.196 30.576 30.300 0.134 0.000 0.926 35 R HN 0.572 nan 8.270 nan 0.000 0.407 36 M N 3.375 123.054 119.600 0.131 0.000 2.288 36 M HA 0.095 4.575 4.480 -0.000 0.000 0.334 36 M C 0.925 177.340 176.300 0.192 0.000 1.150 36 M CA -0.288 55.111 55.300 0.165 0.000 1.118 36 M CB 0.830 33.535 32.600 0.174 0.000 1.501 36 M HN 0.730 nan 8.290 nan 0.000 0.462 37 H N 2.012 121.143 119.070 0.101 0.000 2.265 37 H HA 0.072 4.628 4.556 -0.000 0.000 0.305 37 H C 0.044 175.421 175.328 0.082 0.000 1.054 37 H CA 1.764 57.856 56.048 0.073 0.000 1.296 37 H CB 0.271 30.059 29.762 0.042 0.000 1.395 37 H HN 0.617 nan 8.280 nan 0.000 0.502 38 N N 0.315 118.978 118.700 -0.062 0.000 2.446 38 N HA 0.100 4.839 4.740 -0.000 0.000 0.265 38 N C -0.525 175.047 175.510 0.102 0.000 0.975 38 N CA -0.118 52.861 53.050 -0.119 0.000 0.928 38 N CB 1.165 39.568 38.487 -0.142 0.000 1.160 38 N HN 0.338 nan 8.380 nan 0.000 0.495 39 Q N 1.617 121.456 119.800 0.066 0.000 2.515 39 Q HA 0.078 4.418 4.340 -0.000 0.000 0.214 39 Q C 0.740 176.808 176.000 0.112 0.000 0.971 39 Q CA 0.783 56.643 55.803 0.095 0.000 0.952 39 Q CB 0.407 29.168 28.738 0.038 0.000 0.999 39 Q HN 0.483 nan 8.270 nan 0.000 0.524 40 R N -0.823 119.749 120.500 0.119 0.000 2.257 40 R HA 0.137 4.477 4.340 -0.000 0.000 0.195 40 R C 0.361 176.728 176.300 0.111 0.000 0.921 40 R CA -0.121 56.032 56.100 0.088 0.000 1.069 40 R CB 0.662 30.984 30.300 0.037 0.000 1.115 40 R HN 0.020 nan 8.270 nan 0.000 0.571 41 V N 2.980 122.961 119.914 0.111 0.000 2.599 41 V HA 0.012 4.132 4.120 -0.000 0.000 0.300 41 V C 0.310 176.470 176.094 0.109 0.000 1.034 41 V CA 0.386 62.711 62.300 0.041 0.000 1.115 41 V CB 0.488 32.261 31.823 -0.084 0.000 0.934 41 V HN 0.235 nan 8.190 nan 0.000 0.485 42 L N 7.475 128.743 121.223 0.076 0.000 2.873 42 L HA 0.294 4.634 4.340 -0.000 0.000 0.236 42 L C -0.366 176.558 176.870 0.090 0.000 1.375 42 L CA -0.073 54.821 54.840 0.091 0.000 1.239 42 L CB 0.000 42.093 42.059 0.057 0.000 1.603 42 L HN 0.404 nan 8.230 nan 0.000 0.430 43 V N -0.164 119.821 119.914 0.118 0.000 2.409 43 V HA 0.251 4.371 4.120 -0.000 0.000 0.291 43 V C 0.883 177.082 176.094 0.175 0.000 1.020 43 V CA -0.147 62.221 62.300 0.113 0.000 0.848 43 V CB 1.589 33.454 31.823 0.070 0.000 0.990 43 V HN 0.555 nan 8.190 nan 0.000 0.430 44 T N -1.381 113.250 114.554 0.128 0.000 2.975 44 T HA -0.020 4.330 4.350 -0.000 0.000 0.257 44 T C 1.653 176.408 174.700 0.092 0.000 1.003 44 T CA 0.563 62.731 62.100 0.114 0.000 0.932 44 T CB 0.275 69.187 68.868 0.074 0.000 1.087 44 T HN 0.638 nan 8.240 nan 0.000 0.512 45 S N 1.713 117.467 115.700 0.089 0.000 2.481 45 S HA 0.192 4.662 4.470 -0.000 0.000 0.231 45 S C 0.784 175.441 174.600 0.095 0.000 0.996 45 S CA 0.242 58.486 58.200 0.074 0.000 0.942 45 S CB -0.763 62.478 63.200 0.068 0.000 0.768 45 S HN 0.765 nan 8.310 nan 0.000 0.520 46 V N -3.399 116.595 119.914 0.133 0.000 3.130 46 V HA 0.720 4.840 4.120 -0.000 0.000 0.310 46 V C -3.267 172.942 176.094 0.192 0.000 1.158 46 V CA -2.975 59.426 62.300 0.169 0.000 1.029 46 V CB 0.778 32.726 31.823 0.208 0.000 1.057 46 V HN -0.103 nan 8.190 nan 0.000 0.436 47 P HA 0.189 nan 4.420 nan 0.000 0.267 47 P C -0.183 177.281 177.300 0.273 0.000 1.200 47 P CA 0.206 63.453 63.100 0.246 0.000 0.772 47 P CB 0.030 31.915 31.700 0.308 0.000 0.855 48 H N 0.091 119.235 119.070 0.125 0.000 2.852 48 H HA 0.239 4.795 4.556 -0.000 0.000 0.362 48 H C 0.518 175.896 175.328 0.084 0.000 1.122 48 H CA -0.501 55.609 56.048 0.103 0.000 1.419 48 H CB 0.803 30.624 29.762 0.099 0.000 1.401 48 H HN 0.487 nan 8.280 nan 0.000 0.609 49 A N 3.704 126.565 122.820 0.068 0.000 2.332 49 A HA 0.416 4.736 4.320 -0.000 0.000 0.258 49 A C 0.214 177.836 177.584 0.064 0.000 1.087 49 A CA -0.379 51.666 52.037 0.014 0.000 0.802 49 A CB 0.331 19.312 19.000 -0.032 0.000 1.042 49 A HN 0.717 nan 8.150 nan 0.000 0.489 50 M N 0.510 120.100 119.600 -0.016 0.000 2.550 50 M HA 0.593 5.073 4.480 -0.000 0.000 0.292 50 M C -0.247 176.041 176.300 -0.021 0.000 1.221 50 M CA -0.521 54.779 55.300 0.001 0.000 0.873 50 M CB 1.658 34.222 32.600 -0.060 0.000 1.727 50 M HN 0.702 nan 8.290 nan 0.000 0.459 51 T N -1.046 113.499 114.554 -0.014 0.000 2.899 51 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 51 T C 1.150 175.881 174.700 0.052 0.000 1.033 51 T CA -0.011 62.092 62.100 0.004 0.000 1.084 51 T CB 1.172 70.032 68.868 -0.013 0.000 0.979 51 T HN 0.883 nan 8.240 nan 0.000 0.532 52 G N 0.824 109.702 108.800 0.131 0.000 2.422 52 G HA2 0.051 4.011 3.960 -0.000 0.000 0.218 52 G HA3 0.051 4.011 3.960 -0.000 0.000 0.218 52 G C 1.509 176.384 174.900 -0.041 0.000 1.140 52 G CA 0.453 45.527 45.100 -0.042 0.000 0.775 52 G HN 1.005 nan 8.290 nan 0.000 0.545 53 G N 0.777 109.587 108.800 0.017 0.000 2.418 53 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 53 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 53 G C 1.460 176.384 174.900 0.040 0.000 1.158 53 G CA 1.206 46.321 45.100 0.024 0.000 0.771 53 G HN 0.306 nan 8.290 nan 0.000 0.545 54 D N 0.181 120.611 120.400 0.050 0.000 2.144 54 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 54 D C 2.782 179.143 176.300 0.102 0.000 0.984 54 D CA 0.592 54.642 54.000 0.085 0.000 0.834 54 D CB -0.307 40.546 40.800 0.089 0.000 0.955 54 D HN 0.195 nan 8.370 nan 0.000 0.465 55 V N 1.774 121.701 119.914 0.022 0.000 2.295 55 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 55 V C 2.518 178.668 176.094 0.093 0.000 1.049 55 V CA 1.009 63.313 62.300 0.007 0.000 1.024 55 V CB -0.435 31.289 31.823 -0.165 0.000 0.648 55 V HN 0.259 nan 8.190 nan 0.000 0.447 56 L N 0.248 121.491 121.223 0.034 0.000 1.990 56 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 56 L C 2.508 179.432 176.870 0.090 0.000 1.072 56 L CA 2.681 57.549 54.840 0.047 0.000 0.755 56 L CB -1.015 41.048 42.059 0.008 0.000 0.889 56 L HN 0.513 nan 8.230 nan 0.000 0.432 57 Q N -1.296 118.562 119.800 0.097 0.000 2.096 57 Q HA -0.301 4.039 4.340 -0.000 0.000 0.204 57 Q C 2.182 178.270 176.000 0.147 0.000 0.982 57 Q CA 2.551 58.414 55.803 0.098 0.000 0.850 57 Q CB -0.495 28.302 28.738 0.098 0.000 0.901 57 Q HN 0.636 nan 8.270 nan 0.000 0.422 58 W N 0.643 121.964 121.300 0.035 0.000 2.381 58 W HA -0.120 4.540 4.660 -0.000 0.000 0.301 58 W C 1.675 178.229 176.519 0.058 0.000 1.205 58 W CA 1.403 58.782 57.345 0.056 0.000 1.285 58 W CB -0.107 29.393 29.460 0.066 0.000 1.133 58 W HN 0.129 nan 8.180 nan 0.000 0.521 59 I N 0.479 121.282 120.570 0.388 0.000 2.179 59 I HA -0.370 3.800 4.170 -0.000 0.000 0.242 59 I C 2.734 178.866 176.117 0.024 0.000 1.088 59 I CA 2.045 63.486 61.300 0.235 0.000 1.357 59 I CB -1.250 36.888 38.000 0.230 0.000 1.051 59 I HN 0.087 nan 8.210 nan 0.000 0.409 60 T N -1.574 112.991 114.554 0.017 0.000 2.759 60 T HA -0.275 4.075 4.350 -0.000 0.000 0.269 60 T C 1.878 176.551 174.700 -0.045 0.000 1.042 60 T CA 1.287 63.363 62.100 -0.040 0.000 1.140 60 T CB -0.318 68.509 68.868 -0.069 0.000 0.864 60 T HN 0.313 nan 8.240 nan 0.000 0.455 61 Q N 0.614 120.386 119.800 -0.047 0.000 2.096 61 Q HA 0.018 4.358 4.340 -0.000 0.000 0.197 61 Q C 2.612 178.605 176.000 -0.012 0.000 0.964 61 Q CA 1.236 57.068 55.803 0.048 0.000 0.838 61 Q CB -0.152 28.578 28.738 -0.014 0.000 0.906 61 Q HN 0.512 nan 8.270 nan 0.000 0.444 62 R N 0.050 120.345 120.500 -0.340 0.000 2.096 62 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 62 R C 1.680 177.885 176.300 -0.159 0.000 1.127 62 R CA 1.230 57.057 56.100 -0.453 0.000 0.968 62 R CB -0.301 29.359 30.300 -1.068 0.000 0.861 62 R HN 0.181 nan 8.270 nan 0.000 0.440 63 L N -1.134 120.056 121.223 -0.055 0.000 2.590 63 L HA 0.204 4.544 4.340 -0.000 0.000 0.227 63 L C -0.019 176.953 176.870 0.170 0.000 1.099 63 L CA 0.441 55.304 54.840 0.038 0.000 0.872 63 L CB -0.605 41.470 42.059 0.027 0.000 1.088 63 L HN 0.402 nan 8.230 nan 0.000 0.479 64 W N 2.426 123.671 121.300 -0.092 0.000 5.820 64 W HA -0.240 4.421 4.660 0.000 0.000 0.415 64 W C -0.472 176.021 176.519 -0.043 0.000 1.627 64 W CA 0.260 57.565 57.345 -0.066 0.000 0.991 64 W CB -0.970 28.453 29.460 -0.061 0.000 2.842 64 W HN 0.111 nan 8.180 nan 0.000 1.416 65 I N -0.839 119.669 120.570 -0.103 0.000 3.145 65 I HA 0.628 4.798 4.170 -0.000 0.000 0.313 65 I C 0.723 176.748 176.117 -0.152 0.000 1.122 65 I CA -0.716 60.523 61.300 -0.101 0.000 0.987 65 I CB 1.458 39.443 38.000 -0.025 0.000 1.236 65 I HN -0.031 nan 8.210 nan 0.000 0.453 66 S N 1.052 116.687 115.700 -0.109 0.000 2.589 66 S HA 0.185 4.655 4.470 -0.000 0.000 0.265 66 S C 0.434 174.990 174.600 -0.074 0.000 1.342 66 S CA 0.040 58.178 58.200 -0.102 0.000 1.005 66 S CB 0.546 63.704 63.200 -0.070 0.000 0.909 66 S HN 0.811 nan 8.310 nan 0.000 0.555 67 N N 0.099 118.758 118.700 -0.069 0.000 2.166 67 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 67 N C 1.532 177.027 175.510 -0.024 0.000 1.019 67 N CA 0.929 53.953 53.050 -0.044 0.000 0.856 67 N CB -0.369 38.092 38.487 -0.042 0.000 0.993 67 N HN 0.463 nan 8.380 nan 0.000 0.426 68 L N 1.641 122.850 121.223 -0.024 0.000 2.012 68 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 68 L C 2.270 179.142 176.870 0.003 0.000 1.073 68 L CA 1.730 56.563 54.840 -0.010 0.000 0.748 68 L CB -0.531 41.521 42.059 -0.013 0.000 0.891 68 L HN 0.219 nan 8.230 nan 0.000 0.431 69 E N -1.224 118.975 120.200 -0.001 0.000 2.072 69 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 69 E C 2.096 178.713 176.600 0.029 0.000 0.985 69 E CA 0.989 57.398 56.400 0.014 0.000 0.801 69 E CB -0.090 29.611 29.700 0.002 0.000 0.750 69 E HN 0.536 nan 8.360 nan 0.000 0.452 70 A N 0.635 123.464 122.820 0.016 0.000 1.930 70 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 70 A C 2.094 179.701 177.584 0.038 0.000 1.175 70 A CA 1.585 53.641 52.037 0.032 0.000 0.627 70 A CB -0.516 18.494 19.000 0.018 0.000 0.815 70 A HN 0.280 nan 8.150 nan 0.000 0.443 71 Q N 0.547 120.360 119.800 0.021 0.000 2.084 71 Q HA -0.190 4.149 4.340 -0.000 0.000 0.202 71 Q C 1.852 177.870 176.000 0.029 0.000 0.978 71 Q CA 2.251 58.061 55.803 0.011 0.000 0.844 71 Q CB -0.509 28.228 28.738 -0.003 0.000 0.898 71 Q HN 0.690 nan 8.270 nan 0.000 0.426 72 N N -0.603 118.134 118.700 0.061 0.000 2.084 72 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 72 N C 1.638 177.298 175.510 0.249 0.000 1.030 72 N CA 1.440 54.567 53.050 0.129 0.000 0.849 72 N CB -0.367 38.208 38.487 0.147 0.000 1.012 72 N HN 0.364 nan 8.380 nan 0.000 0.423 73 L N -0.301 121.041 121.223 0.198 0.000 2.046 73 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 73 L C 2.136 179.123 176.870 0.194 0.000 1.077 73 L CA 1.722 56.691 54.840 0.215 0.000 0.747 73 L CB -1.053 41.077 42.059 0.118 0.000 0.896 73 L HN 0.405 nan 8.230 nan 0.000 0.432 74 G N -0.398 108.465 108.800 0.105 0.000 2.440 74 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 74 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 74 G C 1.293 176.201 174.900 0.015 0.000 1.154 74 G CA 0.792 45.915 45.100 0.039 0.000 0.767 74 G HN 0.369 nan 8.290 nan 0.000 0.552 75 N N 0.531 119.227 118.700 -0.006 0.000 2.069 75 N HA -0.082 4.658 4.740 -0.000 0.000 0.191 75 N C 1.865 177.303 175.510 -0.121 0.000 1.031 75 N CA 0.920 53.902 53.050 -0.113 0.000 0.852 75 N CB -0.535 37.816 38.487 -0.227 0.000 1.018 75 N HN 0.390 nan 8.380 nan 0.000 0.423 76 F N 1.008 120.990 119.950 0.054 0.000 2.234 76 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 76 F C 2.165 178.113 175.800 0.248 0.000 1.087 76 F CA 0.363 58.442 58.000 0.131 0.000 1.340 76 F CB -0.295 38.801 39.000 0.161 0.000 1.031 76 F HN -0.018 nan 8.300 nan 0.000 0.500 77 I N -0.723 120.041 120.570 0.324 0.000 2.264 77 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 77 I C 2.133 178.433 176.117 0.304 0.000 1.111 77 I CA 0.945 62.417 61.300 0.287 0.000 1.382 77 I CB -0.547 37.531 38.000 0.130 0.000 1.060 77 I HN -0.054 nan 8.210 nan 0.000 0.418 78 V N 0.574 120.588 119.914 0.166 0.000 2.379 78 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 78 V C 2.367 178.533 176.094 0.120 0.000 1.044 78 V CA 1.600 63.986 62.300 0.144 0.000 1.036 78 V CB -0.672 31.201 31.823 0.083 0.000 0.664 78 V HN 0.350 nan 8.190 nan 0.000 0.453 79 K N -0.675 119.748 120.400 0.037 0.000 2.063 79 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 79 K C 2.022 178.561 176.600 -0.101 0.000 1.048 79 K CA 1.901 58.127 56.287 -0.103 0.000 0.928 79 K CB -0.289 32.046 32.500 -0.276 0.000 0.713 79 K HN 0.507 nan 8.250 nan 0.000 0.442 80 Y N -0.408 119.977 120.300 0.141 0.000 2.546 80 Y HA 0.024 4.574 4.550 -0.000 0.000 0.287 80 Y C 1.414 177.298 175.900 -0.025 0.000 1.158 80 Y CA 0.502 58.676 58.100 0.123 0.000 1.307 80 Y CB 0.830 39.513 38.460 0.371 0.000 1.036 80 Y HN 0.303 nan 8.280 nan 0.000 0.532 81 G N -1.272 107.634 108.800 0.177 0.000 2.141 81 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.231 81 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.231 81 G C 0.487 175.503 174.900 0.192 0.000 0.984 81 G CA 0.257 45.449 45.100 0.153 0.000 0.660 81 G HN 0.478 nan 8.290 nan 0.000 0.525 82 Y N 0.284 120.724 120.300 0.234 0.000 2.293 82 Y HA 0.270 4.820 4.550 -0.000 0.000 0.291 82 Y C 1.952 178.058 175.900 0.343 0.000 1.137 82 Y CA 1.482 59.681 58.100 0.165 0.000 1.202 82 Y CB 0.107 38.507 38.460 -0.100 0.000 0.990 82 Y HN 0.665 nan 8.280 nan 0.000 0.537 83 I N -2.541 118.263 120.570 0.391 0.000 2.828 83 I HA 0.560 4.730 4.170 -0.000 0.000 0.302 83 I C -1.380 174.923 176.117 0.309 0.000 1.101 83 I CA -1.490 59.946 61.300 0.226 0.000 1.031 83 I CB 2.437 40.422 38.000 -0.024 0.000 1.231 83 I HN -0.067 nan 8.210 nan 0.000 0.427 84 Y N 2.088 122.529 120.300 0.235 0.000 2.524 84 Y HA 0.844 5.394 4.550 -0.000 0.000 0.347 84 Y C -3.110 172.857 175.900 0.111 0.000 1.005 84 Y CA -2.997 55.219 58.100 0.194 0.000 1.025 84 Y CB 1.207 39.739 38.460 0.119 0.000 1.275 84 Y HN 0.367 nan 8.280 nan 0.000 0.460 85 P HA 0.176 nan 4.420 nan 0.000 0.274 85 P C 0.019 177.227 177.300 -0.153 0.000 1.231 85 P CA -0.291 62.533 63.100 -0.460 0.000 0.790 85 P CB 1.871 33.356 31.700 -0.358 0.000 0.951 86 L N 0.122 121.193 121.223 -0.253 0.000 2.607 86 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 86 L C 1.086 177.927 176.870 -0.050 0.000 1.123 86 L CA 0.228 55.028 54.840 -0.066 0.000 0.890 86 L CB -0.379 41.642 42.059 -0.063 0.000 1.103 86 L HN 0.463 nan 8.230 nan 0.000 0.468 87 Q N -1.034 118.701 119.800 -0.108 0.000 2.416 87 Q HA 0.192 4.532 4.340 -0.000 0.000 0.281 87 Q C -0.804 175.162 176.000 -0.057 0.000 1.067 87 Q CA -0.652 55.115 55.803 -0.059 0.000 0.809 87 Q CB 1.695 30.393 28.738 -0.068 0.000 1.418 87 Q HN 0.037 nan 8.270 nan 0.000 0.411 88 D N 1.447 121.836 120.400 -0.019 0.000 2.735 88 D HA -0.131 4.509 4.640 -0.000 0.000 0.235 88 D C -1.465 174.833 176.300 -0.003 0.000 1.175 88 D CA 0.885 54.880 54.000 -0.009 0.000 0.683 88 D CB -0.110 40.681 40.800 -0.015 0.000 1.008 88 D HN 0.539 nan 8.370 nan 0.000 0.416 89 P HA -0.143 nan 4.420 nan 0.000 0.225 89 P C 1.112 178.432 177.300 0.032 0.000 1.148 89 P CA 0.658 63.776 63.100 0.030 0.000 0.779 89 P CB 0.243 31.969 31.700 0.043 0.000 0.780 90 K N -0.696 119.717 120.400 0.021 0.000 2.418 90 K HA 0.021 4.341 4.320 -0.000 0.000 0.195 90 K C 0.704 177.298 176.600 -0.010 0.000 1.035 90 K CA 0.193 56.483 56.287 0.004 0.000 1.003 90 K CB -0.348 32.151 32.500 -0.003 0.000 0.793 90 K HN 0.063 nan 8.250 nan 0.000 0.494 91 N N 1.713 120.413 118.700 -0.000 0.000 2.645 91 N HA 0.093 4.833 4.740 -0.000 0.000 0.233 91 N C -0.755 174.766 175.510 0.018 0.000 1.058 91 N CA -0.087 52.961 53.050 -0.003 0.000 0.942 91 N CB 0.086 38.574 38.487 0.000 0.000 1.210 91 N HN 0.006 nan 8.380 nan 0.000 0.512 92 L N 5.399 126.620 121.223 -0.003 0.000 2.423 92 L HA 0.316 4.656 4.340 -0.000 0.000 0.249 92 L C 0.198 177.061 176.870 -0.011 0.000 1.276 92 L CA -0.289 54.560 54.840 0.014 0.000 1.199 92 L CB -0.901 41.144 42.059 -0.023 0.000 1.407 92 L HN 0.430 nan 8.230 nan 0.000 0.410 93 I N -1.289 119.304 120.570 0.039 0.000 2.969 93 I HA 0.492 4.662 4.170 -0.000 0.000 0.307 93 I C -0.974 175.184 176.117 0.069 0.000 1.149 93 I CA -1.270 60.033 61.300 0.005 0.000 1.008 93 I CB 2.312 40.302 38.000 -0.016 0.000 1.232 93 I HN -0.019 nan 8.210 nan 0.000 0.435 94 L N 3.598 124.798 121.223 -0.039 0.000 2.261 94 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 94 L C -0.391 176.463 176.870 -0.026 0.000 1.059 94 L CA 0.157 54.910 54.840 -0.146 0.000 0.816 94 L CB 0.287 42.204 42.059 -0.238 0.000 1.191 94 L HN 0.530 nan 8.230 nan 0.000 0.431 95 K N 7.392 127.854 120.400 0.103 0.000 2.285 95 K HA 0.321 4.641 4.320 -0.000 0.000 0.286 95 K C -2.067 174.568 176.600 0.059 0.000 1.072 95 K CA -1.499 54.844 56.287 0.094 0.000 0.913 95 K CB 0.776 33.358 32.500 0.138 0.000 1.067 95 K HN 0.411 nan 8.250 nan 0.000 0.479 96 P HA -0.015 nan 4.420 nan 0.000 0.228 96 P C -1.367 175.948 177.300 0.025 0.000 1.748 96 P CA 0.092 63.198 63.100 0.009 0.000 0.909 96 P CB 0.001 31.701 31.700 0.000 0.000 1.882 97 D N -1.385 119.041 120.400 0.042 0.000 3.096 97 D HA 0.082 4.721 4.640 -0.000 0.000 0.277 97 D C 0.975 177.297 176.300 0.037 0.000 1.256 97 D CA -0.415 53.607 54.000 0.036 0.000 1.044 97 D CB -0.498 40.320 40.800 0.030 0.000 1.318 97 D HN -0.142 nan 8.370 nan 0.000 0.622 98 S N -1.066 114.646 115.700 0.020 0.000 2.607 98 S HA 0.108 4.578 4.470 -0.000 0.000 0.224 98 S C 0.332 174.903 174.600 -0.049 0.000 0.969 98 S CA -0.421 57.774 58.200 -0.010 0.000 0.927 98 S CB -0.844 62.358 63.200 0.002 0.000 0.772 98 S HN 0.386 nan 8.310 nan 0.000 0.533 99 S N 2.051 117.747 115.700 -0.006 0.000 2.558 99 S HA 0.229 4.699 4.470 -0.000 0.000 0.293 99 S C 0.108 174.662 174.600 -0.076 0.000 1.292 99 S CA -0.166 58.008 58.200 -0.045 0.000 1.063 99 S CB 0.143 63.353 63.200 0.017 0.000 0.831 99 S HN 0.441 nan 8.310 nan 0.000 0.499 100 L N 3.132 124.216 121.223 -0.232 0.000 2.343 100 L HA 0.561 4.901 4.340 -0.000 0.000 0.275 100 L C -0.855 175.740 176.870 -0.459 0.000 1.056 100 L CA -0.597 54.098 54.840 -0.241 0.000 0.804 100 L CB 0.574 42.499 42.059 -0.224 0.000 1.203 100 L HN 0.622 nan 8.230 nan 0.000 0.440 101 Y N 0.980 121.163 120.300 -0.196 0.000 2.553 101 Y HA 0.588 5.138 4.550 -0.000 0.000 0.347 101 Y C -0.293 175.381 175.900 -0.376 0.000 1.019 101 Y CA -0.901 57.036 58.100 -0.271 0.000 1.032 101 Y CB 2.111 40.412 38.460 -0.265 0.000 1.284 101 Y HN 0.404 nan 8.280 nan 0.000 0.466 102 R N 1.090 121.318 120.500 -0.452 0.000 2.750 102 R HA 0.488 4.828 4.340 -0.000 0.000 0.281 102 R C -1.587 174.438 176.300 -0.458 0.000 0.972 102 R CA -1.061 54.751 56.100 -0.481 0.000 0.912 102 R CB 1.846 31.843 30.300 -0.504 0.000 1.187 102 R HN 0.536 nan 8.270 nan 0.000 0.464 103 F N 1.687 121.613 119.950 -0.040 0.000 2.538 103 F HA 0.013 4.540 4.527 -0.000 0.000 0.371 103 F C 1.144 177.118 175.800 0.290 0.000 1.087 103 F CA 0.126 58.213 58.000 0.144 0.000 1.250 103 F CB 0.647 39.759 39.000 0.186 0.000 1.110 103 F HN 0.276 nan 8.300 nan 0.000 0.570 104 Q N 2.236 122.466 119.800 0.717 0.000 2.340 104 Q HA 0.113 4.453 4.340 -0.000 0.000 0.249 104 Q C -0.026 176.334 176.000 0.600 0.000 0.957 104 Q CA -0.126 56.141 55.803 0.773 0.000 0.882 104 Q CB 1.198 30.416 28.738 0.800 0.000 1.235 104 Q HN 0.632 nan 8.270 nan 0.000 0.439 105 T N 4.117 118.874 114.554 0.339 0.000 2.919 105 T HA 0.238 4.588 4.350 -0.000 0.000 0.302 105 T C -1.826 172.592 174.700 -0.469 0.000 1.031 105 T CA -1.640 60.448 62.100 -0.021 0.000 1.127 105 T CB 0.470 69.325 68.868 -0.021 0.000 0.952 105 T HN 0.555 nan 8.240 nan 0.000 0.540 106 P HA -0.064 nan 4.420 nan 0.000 0.221 106 P C 0.845 177.777 177.300 -0.615 0.000 1.145 106 P CA 0.749 62.960 63.100 -1.481 0.000 0.795 106 P CB -0.123 30.881 31.700 -1.159 0.000 0.775 107 Y N -0.767 119.192 120.300 -0.567 0.000 2.315 107 Y HA -0.120 4.430 4.550 -0.000 0.000 0.288 107 Y C 1.344 176.910 175.900 -0.556 0.000 1.154 107 Y CA 1.539 59.301 58.100 -0.564 0.000 1.229 107 Y CB -0.608 37.406 38.460 -0.743 0.000 0.980 107 Y HN -0.094 nan 8.280 nan 0.000 0.540 108 F N -1.420 118.409 119.950 -0.203 0.000 2.647 108 F HA 0.114 4.641 4.527 -0.000 0.000 0.300 108 F C -0.114 175.827 175.800 0.234 0.000 1.106 108 F CA -1.046 56.798 58.000 -0.260 0.000 1.313 108 F CB 0.008 38.890 39.000 -0.196 0.000 1.007 108 F HN -0.074 nan 8.300 nan 0.000 0.536 109 W N 2.176 123.541 121.300 0.108 0.000 2.303 109 W HA 0.342 5.002 4.660 -0.000 0.000 0.334 109 W C -2.150 174.424 176.519 0.090 0.000 1.197 109 W CA -3.151 54.203 57.345 0.016 0.000 1.262 109 W CB -0.345 29.143 29.460 0.047 0.000 1.153 109 W HN -0.156 nan 8.180 nan 0.000 0.596 110 P HA 0.214 nan 4.420 nan 0.000 0.272 110 P C -0.199 177.240 177.300 0.232 0.000 1.230 110 P CA -0.034 63.257 63.100 0.319 0.000 0.788 110 P CB 0.712 32.573 31.700 0.268 0.000 0.949 111 T N -2.370 112.317 114.554 0.222 0.000 2.916 111 T HA 0.223 4.573 4.350 -0.000 0.000 0.292 111 T C 0.688 175.429 174.700 0.068 0.000 1.055 111 T CA -0.599 61.597 62.100 0.161 0.000 1.009 111 T CB 1.777 70.812 68.868 0.279 0.000 1.118 111 T HN 0.305 nan 8.240 nan 0.000 0.497 112 Q N 0.445 120.223 119.800 -0.037 0.000 2.049 112 Q HA -0.108 4.232 4.340 -0.000 0.000 0.198 112 Q C 1.829 177.711 176.000 -0.197 0.000 0.971 112 Q CA 1.721 57.452 55.803 -0.121 0.000 0.833 112 Q CB -0.107 28.536 28.738 -0.158 0.000 0.896 112 Q HN 0.919 nan 8.270 nan 0.000 0.434 113 Q N -1.304 118.270 119.800 -0.376 0.000 2.354 113 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 113 Q C -0.601 174.957 176.000 -0.737 0.000 0.933 113 Q CA 0.181 55.519 55.803 -0.776 0.000 0.901 113 Q CB 0.451 28.386 28.738 -1.339 0.000 1.007 113 Q HN 0.212 nan 8.270 nan 0.000 0.495 114 W N 2.093 123.431 121.300 0.063 0.000 2.463 114 W HA 0.422 5.082 4.660 -0.000 0.000 0.316 114 W C -2.282 174.308 176.519 0.118 0.000 1.004 114 W CA -2.263 55.131 57.345 0.082 0.000 1.309 114 W CB 0.867 30.359 29.460 0.053 0.000 1.288 114 W HN -0.033 nan 8.180 nan 0.000 0.423 115 P HA 0.294 nan 4.420 nan 0.000 0.274 115 P C -0.037 177.444 177.300 0.303 0.000 1.246 115 P CA -0.319 62.965 63.100 0.307 0.000 0.795 115 P CB 0.815 32.681 31.700 0.277 0.000 1.006 116 A N 1.808 124.799 122.820 0.284 0.000 2.498 116 A HA 0.113 4.433 4.320 -0.000 0.000 0.239 116 A C 0.538 178.340 177.584 0.362 0.000 1.068 116 A CA 0.031 52.232 52.037 0.273 0.000 0.766 116 A CB -0.353 18.744 19.000 0.162 0.000 1.003 116 A HN 0.483 nan 8.150 nan 0.000 0.497 117 E N 1.366 121.806 120.200 0.401 0.000 2.242 117 E HA 0.128 4.478 4.350 -0.000 0.000 0.275 117 E C -0.200 176.640 176.600 0.401 0.000 1.002 117 E CA -0.668 55.943 56.400 0.351 0.000 0.841 117 E CB 1.134 30.999 29.700 0.276 0.000 1.109 117 E HN 0.640 nan 8.360 nan 0.000 0.394 118 D N 1.183 121.781 120.400 0.330 0.000 2.144 118 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 118 D C 1.471 177.940 176.300 0.281 0.000 0.984 118 D CA 1.486 55.684 54.000 0.331 0.000 0.834 118 D CB 0.050 41.020 40.800 0.283 0.000 0.955 118 D HN 0.403 nan 8.370 nan 0.000 0.465 119 T N 0.872 115.567 114.554 0.235 0.000 2.746 119 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 119 T C 1.349 176.172 174.700 0.206 0.000 1.039 119 T CA 1.089 63.301 62.100 0.186 0.000 1.142 119 T CB -0.162 68.807 68.868 0.169 0.000 0.866 119 T HN 0.139 nan 8.240 nan 0.000 0.444 120 D N 0.063 120.646 120.400 0.304 0.000 2.144 120 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 120 D C 1.773 178.273 176.300 0.333 0.000 0.978 120 D CA 0.870 55.103 54.000 0.389 0.000 0.833 120 D CB -0.249 40.876 40.800 0.541 0.000 0.961 120 D HN 0.339 nan 8.370 nan 0.000 0.470 121 Y N 1.859 122.151 120.300 -0.014 0.000 2.242 121 Y HA -0.056 4.494 4.550 -0.000 0.000 0.291 121 Y C 2.241 178.034 175.900 -0.180 0.000 1.137 121 Y CA 0.844 58.618 58.100 -0.544 0.000 1.181 121 Y CB -0.456 37.717 38.460 -0.478 0.000 0.989 121 Y HN -0.081 nan 8.280 nan 0.000 0.527 122 A N 0.185 122.979 122.820 -0.044 0.000 1.902 122 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 122 A C 2.334 179.826 177.584 -0.154 0.000 1.181 122 A CA 1.886 53.869 52.037 -0.090 0.000 0.623 122 A CB -1.068 17.930 19.000 -0.003 0.000 0.818 122 A HN 0.488 nan 8.150 nan 0.000 0.443 123 I N -1.906 118.604 120.570 -0.101 0.000 2.286 123 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 123 I C 2.459 178.548 176.117 -0.046 0.000 1.115 123 I CA 1.639 62.878 61.300 -0.102 0.000 1.392 123 I CB -0.373 37.613 38.000 -0.024 0.000 1.065 123 I HN 0.551 nan 8.210 nan 0.000 0.418 124 Y N 1.680 121.904 120.300 -0.127 0.000 2.145 124 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 124 Y C 2.230 177.994 175.900 -0.227 0.000 1.145 124 Y CA 1.643 59.655 58.100 -0.147 0.000 1.148 124 Y CB -0.366 37.924 38.460 -0.284 0.000 0.981 124 Y HN 0.002 nan 8.280 nan 0.000 0.507 125 L N -0.312 120.619 121.223 -0.487 0.000 2.093 125 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 125 L C 2.779 179.392 176.870 -0.428 0.000 1.085 125 L CA 0.958 55.476 54.840 -0.536 0.000 0.755 125 L CB -0.999 40.847 42.059 -0.356 0.000 0.904 125 L HN 0.328 nan 8.230 nan 0.000 0.435 126 A N 0.361 123.078 122.820 -0.171 0.000 1.902 126 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 126 A C 2.411 179.825 177.584 -0.284 0.000 1.181 126 A CA 2.055 54.000 52.037 -0.154 0.000 0.623 126 A CB -0.428 18.495 19.000 -0.128 0.000 0.818 126 A HN 0.336 nan 8.150 nan 0.000 0.443 127 K N -0.701 119.534 120.400 -0.274 0.000 2.057 127 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 127 K C 2.291 178.707 176.600 -0.307 0.000 1.050 127 K CA 1.117 57.258 56.287 -0.243 0.000 0.935 127 K CB -0.183 32.245 32.500 -0.121 0.000 0.715 127 K HN 0.352 nan 8.250 nan 0.000 0.439 128 R N 0.402 120.644 120.500 -0.429 0.000 2.152 128 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 128 R C 1.866 177.947 176.300 -0.363 0.000 1.117 128 R CA 1.377 57.227 56.100 -0.417 0.000 0.981 128 R CB -0.250 29.698 30.300 -0.586 0.000 0.870 128 R HN 0.247 nan 8.270 nan 0.000 0.451 129 N N 0.636 119.080 118.700 -0.426 0.000 2.354 129 N HA -0.032 4.708 4.740 -0.000 0.000 0.179 129 N C 1.500 176.817 175.510 -0.322 0.000 1.021 129 N CA 0.769 53.576 53.050 -0.405 0.000 0.887 129 N CB 0.107 38.253 38.487 -0.569 0.000 0.974 129 N HN 0.162 nan 8.380 nan 0.000 0.437 130 I N -0.080 120.277 120.570 -0.355 0.000 2.406 130 I HA -0.132 4.038 4.170 -0.000 0.000 0.249 130 I C 2.169 178.035 176.117 -0.418 0.000 1.122 130 I CA 0.488 61.533 61.300 -0.424 0.000 1.431 130 I CB -0.121 37.515 38.000 -0.608 0.000 1.087 130 I HN -0.010 nan 8.210 nan 0.000 0.424 131 K N 1.298 121.503 120.400 -0.324 0.000 2.015 131 K HA -0.139 4.181 4.320 -0.000 0.000 0.216 131 K C 1.012 177.560 176.600 -0.087 0.000 1.052 131 K CA 1.487 57.696 56.287 -0.130 0.000 0.937 131 K CB -0.256 32.212 32.500 -0.053 0.000 0.719 131 K HN 0.200 nan 8.250 nan 0.000 0.446 132 K N 1.071 121.403 120.400 -0.113 0.000 2.601 132 K HA 0.103 4.423 4.320 -0.000 0.000 0.249 132 K C -1.140 175.389 176.600 -0.118 0.000 0.966 132 K CA -0.413 55.821 56.287 -0.089 0.000 0.827 132 K CB 1.460 33.930 32.500 -0.049 0.000 1.178 132 K HN -0.168 nan 8.250 nan 0.000 0.437 133 K N 2.490 122.823 120.400 -0.112 0.000 2.441 133 K HA -0.088 4.232 4.320 -0.000 0.000 0.273 133 K C 0.375 176.913 176.600 -0.102 0.000 1.090 133 K CA 1.761 57.980 56.287 -0.114 0.000 1.158 133 K CB -0.282 32.166 32.500 -0.086 0.000 0.847 133 K HN 0.881 nan 8.250 nan 0.000 0.483 134 G N 4.522 113.246 108.800 -0.127 0.000 2.272 134 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 134 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 134 G C 0.305 175.147 174.900 -0.097 0.000 1.067 134 G CA 0.224 45.258 45.100 -0.110 0.000 0.902 134 G HN 0.780 nan 8.290 nan 0.000 0.500 135 I N -0.966 119.533 120.570 -0.118 0.000 3.883 135 I HA 0.269 4.439 4.170 -0.000 0.000 0.326 135 I C 0.776 176.827 176.117 -0.109 0.000 1.283 135 I CA -0.486 60.758 61.300 -0.092 0.000 1.161 135 I CB 0.033 37.984 38.000 -0.081 0.000 1.012 135 I HN 0.152 nan 8.210 nan 0.000 0.421 136 L N 1.997 123.126 121.223 -0.157 0.000 2.455 136 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 136 L C 0.697 177.494 176.870 -0.121 0.000 1.174 136 L CA 0.774 55.505 54.840 -0.182 0.000 0.869 136 L CB 0.095 42.009 42.059 -0.241 0.000 1.130 136 L HN 0.146 nan 8.230 nan 0.000 0.474 137 E N 2.539 122.667 120.200 -0.120 0.000 2.409 137 E HA -0.020 4.330 4.350 -0.000 0.000 0.257 137 E C 0.675 177.245 176.600 -0.050 0.000 1.150 137 E CA -0.545 55.831 56.400 -0.041 0.000 0.942 137 E CB 0.617 30.350 29.700 0.055 0.000 0.979 137 E HN 0.470 nan 8.360 nan 0.000 0.447 138 E N 0.848 121.081 120.200 0.055 0.000 2.065 138 E HA -0.240 4.110 4.350 -0.000 0.000 0.201 138 E C 1.969 178.623 176.600 0.090 0.000 1.016 138 E CA 1.779 58.220 56.400 0.070 0.000 0.818 138 E CB -0.423 29.335 29.700 0.097 0.000 0.749 138 E HN 0.655 nan 8.360 nan 0.000 0.453 139 Y N 0.253 120.578 120.300 0.041 0.000 2.421 139 Y HA 0.036 4.586 4.550 -0.000 0.000 0.292 139 Y C 1.756 177.712 175.900 0.093 0.000 1.136 139 Y CA 0.995 59.130 58.100 0.059 0.000 1.255 139 Y CB -0.302 38.192 38.460 0.056 0.000 0.991 139 Y HN -0.007 nan 8.280 nan 0.000 0.552 140 E N 0.891 120.745 120.200 -0.577 0.000 2.170 140 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 140 E C 1.907 178.409 176.600 -0.163 0.000 0.981 140 E CA 0.557 56.687 56.400 -0.450 0.000 0.830 140 E CB 0.022 29.414 29.700 -0.513 0.000 0.775 140 E HN 0.522 nan 8.360 nan 0.000 0.470 141 K N 1.039 121.378 120.400 -0.103 0.000 2.057 141 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 141 K C 2.058 178.698 176.600 0.066 0.000 1.050 141 K CA 0.882 57.161 56.287 -0.014 0.000 0.935 141 K CB -0.032 32.456 32.500 -0.019 0.000 0.715 141 K HN 0.125 nan 8.250 nan 0.000 0.439 142 E N 0.869 121.106 120.200 0.062 0.000 2.038 142 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 142 E C 1.855 178.543 176.600 0.146 0.000 1.000 142 E CA 1.169 57.627 56.400 0.097 0.000 0.803 142 E CB -0.031 29.727 29.700 0.096 0.000 0.750 142 E HN 0.246 nan 8.360 nan 0.000 0.448 143 N N 0.069 118.857 118.700 0.147 0.000 2.120 143 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 143 N C 1.620 177.259 175.510 0.215 0.000 1.024 143 N CA 0.935 54.122 53.050 0.228 0.000 0.852 143 N CB -0.554 38.092 38.487 0.264 0.000 1.003 143 N HN 0.248 nan 8.380 nan 0.000 0.424 144 Y N 1.723 122.014 120.300 -0.014 0.000 2.181 144 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 144 Y C 1.590 177.493 175.900 0.003 0.000 1.146 144 Y CA 1.536 59.622 58.100 -0.024 0.000 1.164 144 Y CB -0.185 38.231 38.460 -0.072 0.000 0.982 144 Y HN -0.005 nan 8.280 nan 0.000 0.515 145 D N -0.748 119.695 120.400 0.071 0.000 2.183 145 D HA -0.167 4.473 4.640 -0.000 0.000 0.203 145 D C 1.910 178.179 176.300 -0.051 0.000 0.969 145 D CA 1.072 55.051 54.000 -0.035 0.000 0.842 145 D CB -0.653 40.172 40.800 0.041 0.000 0.957 145 D HN 0.412 nan 8.370 nan 0.000 0.484 146 F N 1.217 121.123 119.950 -0.073 0.000 2.102 146 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 146 F C 1.903 177.648 175.800 -0.091 0.000 1.105 146 F CA 1.220 59.190 58.000 -0.051 0.000 1.239 146 F CB -0.367 38.645 39.000 0.020 0.000 0.991 146 F HN -0.123 nan 8.300 nan 0.000 0.474 147 L N 0.384 121.472 121.223 -0.225 0.000 2.046 147 L HA -0.223 4.116 4.340 -0.000 0.000 0.208 147 L C 2.249 178.820 176.870 -0.499 0.000 1.077 147 L CA 1.690 56.348 54.840 -0.304 0.000 0.747 147 L CB -1.039 41.029 42.059 0.013 0.000 0.896 147 L HN 0.244 nan 8.230 nan 0.000 0.432 148 N N 0.220 118.449 118.700 -0.784 0.000 2.272 148 N HA -0.202 4.537 4.740 -0.000 0.000 0.185 148 N C 1.696 176.717 175.510 -0.815 0.000 1.014 148 N CA 1.333 53.581 53.050 -1.337 0.000 0.870 148 N CB 0.134 37.895 38.487 -1.211 0.000 0.975 148 N HN 0.092 nan 8.380 nan 0.000 0.433 149 K N -0.049 120.034 120.400 -0.528 0.000 2.211 149 K HA 0.113 4.433 4.320 -0.000 0.000 0.201 149 K C 1.816 178.227 176.600 -0.314 0.000 1.052 149 K CA 0.626 56.697 56.287 -0.360 0.000 0.973 149 K CB 0.059 32.408 32.500 -0.253 0.000 0.766 149 K HN 0.098 nan 8.250 nan 0.000 0.466 150 K N 0.737 120.888 120.400 -0.414 0.000 2.021 150 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 150 K C 0.904 177.455 176.600 -0.080 0.000 1.047 150 K CA 1.097 57.199 56.287 -0.308 0.000 0.943 150 K CB 0.221 32.389 32.500 -0.552 0.000 0.725 150 K HN 0.194 nan 8.250 nan 0.000 0.439 151 I N -1.418 119.086 120.570 -0.110 0.000 3.626 151 I HA 0.171 4.341 4.170 -0.000 0.000 0.345 151 I C 0.710 176.748 176.117 -0.132 0.000 1.502 151 I CA -0.288 60.972 61.300 -0.067 0.000 1.135 151 I CB 0.100 38.056 38.000 -0.075 0.000 1.456 151 I HN 0.124 nan 8.210 nan 0.000 0.460 152 N N 1.869 120.529 118.700 -0.067 0.000 2.289 152 N HA -0.232 4.508 4.740 -0.000 0.000 0.184 152 N C 1.832 177.385 175.510 0.073 0.000 1.016 152 N CA 1.695 54.693 53.050 -0.087 0.000 0.872 152 N CB -0.039 38.356 38.487 -0.153 0.000 0.973 152 N HN 0.806 nan 8.380 nan 0.000 0.433 153 Y N -0.250 120.078 120.300 0.047 0.000 2.293 153 Y HA 0.051 4.600 4.550 -0.000 0.000 0.291 153 Y C 1.939 177.907 175.900 0.112 0.000 1.137 153 Y CA 0.750 58.887 58.100 0.063 0.000 1.202 153 Y CB -0.317 38.161 38.460 0.031 0.000 0.990 153 Y HN -0.171 nan 8.280 nan 0.000 0.537 154 K N -0.060 120.005 120.400 -0.558 0.000 2.426 154 K HA -0.073 4.247 4.320 -0.000 0.000 0.193 154 K C 1.530 178.142 176.600 0.020 0.000 1.028 154 K CA 0.127 56.232 56.287 -0.305 0.000 1.047 154 K CB -0.359 31.852 32.500 -0.481 0.000 0.821 154 K HN 0.525 nan 8.250 nan 0.000 0.513 155 W N 2.467 123.674 121.300 -0.156 0.000 2.480 155 W HA -0.203 4.457 4.660 -0.000 0.000 0.257 155 W C 0.031 176.529 176.519 -0.036 0.000 1.235 155 W CA 1.399 58.686 57.345 -0.097 0.000 1.218 155 W CB 0.172 29.567 29.460 -0.108 0.000 1.131 155 W HN 0.237 nan 8.180 nan 0.000 0.606 156 D N -0.488 119.969 120.400 0.096 0.000 2.123 156 D HA -0.209 4.431 4.640 -0.000 0.000 0.200 156 D C 1.738 178.043 176.300 0.008 0.000 0.976 156 D CA 1.270 55.299 54.000 0.048 0.000 0.831 156 D CB -1.029 39.824 40.800 0.088 0.000 0.974 156 D HN 0.037 nan 8.370 nan 0.000 0.469 157 F N 1.349 121.235 119.950 -0.106 0.000 2.259 157 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 157 F C 2.109 177.807 175.800 -0.170 0.000 1.088 157 F CA 0.758 58.693 58.000 -0.109 0.000 1.358 157 F CB -0.137 38.816 39.000 -0.079 0.000 1.040 157 F HN -0.054 nan 8.300 nan 0.000 0.505 158 V N -1.018 118.741 119.914 -0.259 0.000 2.358 158 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 158 V C 2.200 178.000 176.094 -0.491 0.000 1.047 158 V CA 1.887 63.916 62.300 -0.453 0.000 1.035 158 V CB -1.131 30.287 31.823 -0.676 0.000 0.658 158 V HN 0.258 nan 8.190 nan 0.000 0.452 159 I N 0.271 120.552 120.570 -0.483 0.000 2.286 159 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 159 I C 2.643 178.605 176.117 -0.258 0.000 1.115 159 I CA 2.531 63.623 61.300 -0.346 0.000 1.392 159 I CB -0.421 37.420 38.000 -0.265 0.000 1.065 159 I HN 0.445 nan 8.210 nan 0.000 0.418 160 M N -0.704 118.734 119.600 -0.270 0.000 2.200 160 M HA -0.180 4.299 4.480 -0.000 0.000 0.265 160 M C 1.967 178.108 176.300 -0.265 0.000 1.066 160 M CA 1.551 56.715 55.300 -0.226 0.000 1.127 160 M CB -0.120 32.362 32.600 -0.198 0.000 1.379 160 M HN 0.161 nan 8.290 nan 0.000 0.420 161 Q N 0.426 119.979 119.800 -0.411 0.000 2.172 161 Q HA -0.005 4.335 4.340 -0.000 0.000 0.200 161 Q C 2.207 178.088 176.000 -0.199 0.000 0.964 161 Q CA 1.575 57.167 55.803 -0.352 0.000 0.855 161 Q CB -0.376 28.051 28.738 -0.518 0.000 0.918 161 Q HN 0.725 nan 8.270 nan 0.000 0.444 162 A N 1.549 124.247 122.820 -0.204 0.000 1.873 162 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 162 A C 2.091 179.637 177.584 -0.063 0.000 1.186 162 A CA 1.475 53.433 52.037 -0.132 0.000 0.616 162 A CB -0.277 18.611 19.000 -0.186 0.000 0.823 162 A HN 0.213 nan 8.150 nan 0.000 0.442 163 K N -0.618 119.734 120.400 -0.080 0.000 2.097 163 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 163 K C 2.103 178.716 176.600 0.022 0.000 1.050 163 K CA 1.466 57.747 56.287 -0.009 0.000 0.938 163 K CB -0.093 32.382 32.500 -0.041 0.000 0.718 163 K HN 0.682 nan 8.250 nan 0.000 0.442 164 E N 0.995 121.174 120.200 -0.035 0.000 2.106 164 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 164 E C 1.960 178.549 176.600 -0.018 0.000 0.984 164 E CA 1.118 57.497 56.400 -0.035 0.000 0.806 164 E CB 0.217 29.876 29.700 -0.069 0.000 0.750 164 E HN 0.287 nan 8.360 nan 0.000 0.458 165 Q N -0.839 118.958 119.800 -0.006 0.000 2.083 165 Q HA -0.175 4.165 4.340 -0.000 0.000 0.198 165 Q C 1.877 177.908 176.000 0.052 0.000 0.969 165 Q CA 1.328 57.141 55.803 0.017 0.000 0.838 165 Q CB -0.158 28.599 28.738 0.032 0.000 0.900 165 Q HN 0.391 nan 8.270 nan 0.000 0.436 166 Y N 1.103 121.375 120.300 -0.046 0.000 2.293 166 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 166 Y C 2.288 178.168 175.900 -0.034 0.000 1.137 166 Y CA 1.358 59.434 58.100 -0.040 0.000 1.202 166 Y CB 0.061 38.487 38.460 -0.056 0.000 0.990 166 Y HN -0.107 nan 8.280 nan 0.000 0.537 167 R N -0.803 119.665 120.500 -0.053 0.000 2.066 167 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 167 R C 2.041 178.262 176.300 -0.131 0.000 1.131 167 R CA 1.950 57.979 56.100 -0.118 0.000 0.955 167 R CB -0.398 29.883 30.300 -0.033 0.000 0.851 167 R HN 0.264 nan 8.270 nan 0.000 0.432 168 T N -0.548 113.956 114.554 -0.084 0.000 2.788 168 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 168 T C 1.649 176.298 174.700 -0.084 0.000 1.044 168 T CA 1.272 63.330 62.100 -0.071 0.000 1.139 168 T CB -0.381 68.457 68.868 -0.049 0.000 0.867 168 T HN 0.553 nan 8.240 nan 0.000 0.454 169 G N 1.382 110.121 108.800 -0.102 0.000 2.470 169 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 169 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 169 G C 1.464 176.287 174.900 -0.128 0.000 1.121 169 G CA 0.374 45.418 45.100 -0.093 0.000 0.766 169 G HN 0.432 nan 8.290 nan 0.000 0.553 170 K N 0.152 120.434 120.400 -0.197 0.000 2.426 170 K HA 0.065 4.385 4.320 -0.000 0.000 0.193 170 K C 1.692 178.230 176.600 -0.104 0.000 1.028 170 K CA 0.162 56.341 56.287 -0.179 0.000 1.047 170 K CB 0.267 32.612 32.500 -0.259 0.000 0.821 170 K HN 0.166 nan 8.250 nan 0.000 0.513 171 E N 0.746 120.896 120.200 -0.084 0.000 2.285 171 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 171 E C 0.723 177.300 176.600 -0.037 0.000 0.997 171 E CA 0.684 57.050 56.400 -0.055 0.000 0.845 171 E CB 0.190 29.861 29.700 -0.049 0.000 0.782 171 E HN 0.147 nan 8.360 nan 0.000 0.491 172 R N 1.976 122.456 120.500 -0.032 0.000 2.549 172 R HA 0.179 4.519 4.340 -0.000 0.000 0.267 172 R C 0.539 176.836 176.300 -0.004 0.000 1.045 172 R CA -0.574 55.518 56.100 -0.012 0.000 1.115 172 R CB 0.378 30.677 30.300 -0.001 0.000 1.121 172 R HN 0.141 nan 8.270 nan 0.000 0.543 173 N N -0.201 118.504 118.700 0.009 0.000 2.317 173 N HA -0.015 4.725 4.740 -0.000 0.000 0.245 173 N C 0.683 176.210 175.510 0.027 0.000 1.294 173 N CA -0.280 52.778 53.050 0.013 0.000 0.924 173 N CB 0.689 39.185 38.487 0.016 0.000 1.186 173 N HN 0.424 nan 8.380 nan 0.000 0.495 174 K N -0.761 119.654 120.400 0.026 0.000 2.026 174 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 174 K C 1.789 178.434 176.600 0.076 0.000 1.048 174 K CA 1.399 57.710 56.287 0.040 0.000 0.929 174 K CB -0.547 31.961 32.500 0.013 0.000 0.713 174 K HN 0.653 nan 8.250 nan 0.000 0.439 175 A N 1.532 124.389 122.820 0.061 0.000 1.902 175 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 175 A C 1.705 179.369 177.584 0.133 0.000 1.181 175 A CA 2.005 54.094 52.037 0.088 0.000 0.623 175 A CB -0.489 18.544 19.000 0.055 0.000 0.818 175 A HN 0.358 nan 8.150 nan 0.000 0.443 176 D N -1.042 119.416 120.400 0.097 0.000 2.149 176 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 176 D C 2.113 178.472 176.300 0.099 0.000 0.972 176 D CA 0.908 54.963 54.000 0.093 0.000 0.835 176 D CB -0.291 40.546 40.800 0.061 0.000 0.966 176 D HN 0.455 nan 8.370 nan 0.000 0.476 177 R N -0.440 120.118 120.500 0.096 0.000 2.075 177 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 177 R C 2.274 178.654 176.300 0.134 0.000 1.126 177 R CA 0.930 57.085 56.100 0.092 0.000 0.963 177 R CB -0.335 30.006 30.300 0.069 0.000 0.858 177 R HN 0.188 nan 8.270 nan 0.000 0.435 178 Y N 0.615 120.943 120.300 0.048 0.000 2.145 178 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 178 Y C 2.142 178.088 175.900 0.077 0.000 1.145 178 Y CA 1.712 59.846 58.100 0.058 0.000 1.148 178 Y CB -0.405 38.082 38.460 0.046 0.000 0.981 178 Y HN 0.177 nan 8.280 nan 0.000 0.507 179 A N 0.047 122.970 122.820 0.172 0.000 1.902 179 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 179 A C 2.274 179.906 177.584 0.080 0.000 1.181 179 A CA 1.861 53.972 52.037 0.124 0.000 0.623 179 A CB -1.137 17.961 19.000 0.163 0.000 0.818 179 A HN 0.553 nan 8.150 nan 0.000 0.443 180 L N -0.607 120.664 121.223 0.080 0.000 2.093 180 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 180 L C 1.969 178.875 176.870 0.060 0.000 1.085 180 L CA 1.236 56.127 54.840 0.085 0.000 0.755 180 L CB -0.513 41.595 42.059 0.082 0.000 0.904 180 L HN 0.310 nan 8.230 nan 0.000 0.435 181 D N -0.666 119.741 120.400 0.011 0.000 2.144 181 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 181 D C 2.263 178.523 176.300 -0.067 0.000 0.978 181 D CA 1.185 55.186 54.000 0.002 0.000 0.833 181 D CB -0.249 40.529 40.800 -0.037 0.000 0.961 181 D HN 0.352 nan 8.370 nan 0.000 0.470 182 C N 0.612 119.804 119.300 -0.181 0.000 2.440 182 C HA -0.085 4.375 4.460 -0.000 0.000 0.278 182 C C 2.699 177.524 174.990 -0.274 0.000 1.295 182 C CA 0.392 59.290 59.018 -0.201 0.000 1.738 182 C CB -0.768 26.863 27.740 -0.182 0.000 1.987 182 C HN 0.415 nan 8.230 nan 0.000 0.492 183 Q N 0.805 120.490 119.800 -0.191 0.000 2.050 183 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 183 Q C 2.144 177.925 176.000 -0.365 0.000 0.980 183 Q CA 1.891 57.523 55.803 -0.285 0.000 0.840 183 Q CB -0.198 28.600 28.738 0.100 0.000 0.898 183 Q HN 0.751 nan 8.270 nan 0.000 0.424 184 E N 0.079 120.145 120.200 -0.223 0.000 2.152 184 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 184 E C 1.930 178.338 176.600 -0.320 0.000 0.983 184 E CA 0.861 57.020 56.400 -0.401 0.000 0.818 184 E CB 0.080 29.782 29.700 0.004 0.000 0.758 184 E HN 0.191 nan 8.360 nan 0.000 0.467 185 K N 0.081 120.411 120.400 -0.117 0.000 2.097 185 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 185 K C 1.978 178.522 176.600 -0.092 0.000 1.049 185 K CA 1.106 57.400 56.287 0.012 0.000 0.933 185 K CB -0.124 32.422 32.500 0.076 0.000 0.717 185 K HN 0.136 nan 8.250 nan 0.000 0.442 186 A N 0.274 122.926 122.820 -0.280 0.000 1.933 186 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 186 A C 2.007 179.467 177.584 -0.206 0.000 1.175 186 A CA 1.312 53.170 52.037 -0.298 0.000 0.628 186 A CB -0.790 17.760 19.000 -0.750 0.000 0.814 186 A HN 0.587 nan 8.150 nan 0.000 0.444 187 Y N -1.101 118.901 120.300 -0.496 0.000 2.114 187 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 187 Y C 2.040 177.695 175.900 -0.409 0.000 1.143 187 Y CA 1.850 59.612 58.100 -0.564 0.000 1.135 187 Y CB -0.539 37.159 38.460 -1.269 0.000 0.980 187 Y HN 0.433 nan 8.280 nan 0.000 0.499 188 W N -0.095 121.030 121.300 -0.291 0.000 2.519 188 W HA -0.069 4.591 4.660 -0.000 0.000 0.266 188 W C 2.155 178.593 176.519 -0.135 0.000 1.253 188 W CA 0.481 57.669 57.345 -0.262 0.000 1.274 188 W CB -0.271 29.044 29.460 -0.242 0.000 1.114 188 W HN 0.090 nan 8.180 nan 0.000 0.596 189 L N -0.568 120.710 121.223 0.091 0.000 2.131 189 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 189 L C 2.084 178.928 176.870 -0.042 0.000 1.092 189 L CA 0.940 55.817 54.840 0.062 0.000 0.759 189 L CB -0.527 41.552 42.059 0.034 0.000 0.903 189 L HN -0.130 nan 8.230 nan 0.000 0.435 190 V N -1.714 118.121 119.914 -0.131 0.000 2.446 190 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 190 V C 2.111 177.986 176.094 -0.365 0.000 1.039 190 V CA 1.274 63.427 62.300 -0.245 0.000 1.045 190 V CB -0.522 31.140 31.823 -0.267 0.000 0.681 190 V HN 0.465 nan 8.190 nan 0.000 0.459 191 H N -0.212 118.643 119.070 -0.358 0.000 2.562 191 H HA 0.246 4.802 4.556 -0.000 0.000 0.267 191 H C 0.506 175.767 175.328 -0.112 0.000 0.959 191 H CA 0.400 56.261 56.048 -0.312 0.000 1.204 191 H CB 0.640 29.983 29.762 -0.699 0.000 1.430 191 H HN 0.172 nan 8.280 nan 0.000 0.545 192 R N 1.373 121.893 120.500 0.033 0.000 2.644 192 R HA 0.253 4.593 4.340 -0.000 0.000 0.271 192 R C -0.483 175.867 176.300 0.082 0.000 1.687 192 R CA -0.210 55.871 56.100 -0.032 0.000 1.655 192 R CB 0.880 30.912 30.300 -0.447 0.000 1.285 192 R HN -0.026 nan 8.270 nan 0.000 0.643 193 S N 2.506 118.203 115.700 -0.005 0.000 2.572 193 S HA 0.254 4.723 4.470 -0.000 0.000 0.279 193 S C -2.064 172.448 174.600 -0.147 0.000 1.341 193 S CA -0.671 57.492 58.200 -0.062 0.000 1.043 193 S CB 0.555 63.686 63.200 -0.114 0.000 0.887 193 S HN 0.196 nan 8.310 nan 0.000 0.516 194 P HA 0.167 nan 4.420 nan 0.000 0.268 194 P C -2.403 174.682 177.300 -0.358 0.000 1.208 194 P CA -1.053 61.557 63.100 -0.817 0.000 0.777 194 P CB -0.426 30.755 31.700 -0.865 0.000 0.875 195 P HA 0.007 nan 4.420 nan 0.000 0.269 195 P C 0.893 178.114 177.300 -0.131 0.000 1.209 195 P CA 0.759 63.779 63.100 -0.133 0.000 0.776 195 P CB 0.223 31.879 31.700 -0.073 0.000 0.876 196 G N 0.780 109.521 108.800 -0.099 0.000 2.234 196 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 196 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 196 G C 0.165 175.007 174.900 -0.096 0.000 0.987 196 G CA -0.016 45.032 45.100 -0.086 0.000 0.625 196 G HN 0.447 nan 8.290 nan 0.000 0.532 197 M N 0.991 120.519 119.600 -0.120 0.000 2.277 197 M HA 0.297 4.777 4.480 -0.000 0.000 0.350 197 M C 0.556 176.786 176.300 -0.117 0.000 1.180 197 M CA -1.336 53.891 55.300 -0.121 0.000 1.103 197 M CB 0.790 33.304 32.600 -0.144 0.000 1.577 197 M HN 0.284 nan 8.290 nan 0.000 0.459 198 N N 2.454 121.085 118.700 -0.115 0.000 2.458 198 N HA -0.073 4.667 4.740 -0.000 0.000 0.258 198 N C -0.596 174.833 175.510 -0.135 0.000 1.219 198 N CA 0.110 53.089 53.050 -0.117 0.000 0.902 198 N CB 0.522 38.937 38.487 -0.120 0.000 1.076 198 N HN 0.491 nan 8.380 nan 0.000 0.455 199 N N 3.932 122.557 118.700 -0.125 0.000 2.521 199 N HA 0.027 4.767 4.740 -0.000 0.000 0.236 199 N C 0.685 176.108 175.510 -0.146 0.000 1.067 199 N CA -0.226 52.743 53.050 -0.135 0.000 0.939 199 N CB 0.895 39.314 38.487 -0.113 0.000 1.201 199 N HN 0.379 nan 8.380 nan 0.000 0.511 200 V N 4.444 124.232 119.914 -0.211 0.000 2.913 200 V HA -0.060 4.060 4.120 -0.000 0.000 0.260 200 V C 1.660 177.656 176.094 -0.163 0.000 1.098 200 V CA 1.363 63.490 62.300 -0.287 0.000 1.121 200 V CB -0.276 31.195 31.823 -0.585 0.000 0.714 200 V HN 0.669 nan 8.190 nan 0.000 0.487 201 L N -0.252 120.920 121.223 -0.085 0.000 2.599 201 L HA 0.149 4.489 4.340 -0.000 0.000 0.230 201 L C 0.770 177.680 176.870 0.067 0.000 1.141 201 L CA 0.039 54.931 54.840 0.086 0.000 0.877 201 L CB -0.362 41.717 42.059 0.033 0.000 1.009 201 L HN 0.252 nan 8.230 nan 0.000 0.447 202 D N 0.627 120.996 120.400 -0.052 0.000 2.389 202 D HA -0.116 4.524 4.640 -0.000 0.000 0.263 202 D C 0.481 176.747 176.300 -0.056 0.000 1.255 202 D CA 0.114 54.022 54.000 -0.153 0.000 0.914 202 D CB 0.649 41.374 40.800 -0.125 0.000 1.116 202 D HN 0.284 nan 8.370 nan 0.000 0.502 203 Y N 2.896 123.230 120.300 0.056 0.000 2.467 203 Y HA 0.478 5.028 4.550 -0.000 0.000 0.250 203 Y C 1.176 177.101 175.900 0.042 0.000 1.155 203 Y CA -0.197 57.942 58.100 0.065 0.000 1.249 203 Y CB -0.066 38.453 38.460 0.098 0.000 1.146 203 Y HN 0.456 nan 8.280 nan 0.000 0.524 204 G N 1.344 110.110 108.800 -0.058 0.000 2.503 204 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.235 204 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.235 204 G C -0.747 174.179 174.900 0.044 0.000 1.179 204 G CA -0.342 44.766 45.100 0.012 0.000 0.944 204 G HN 0.351 nan 8.290 nan 0.000 0.580 205 L N 1.526 122.823 121.223 0.123 0.000 2.439 205 L HA 0.368 4.708 4.340 -0.000 0.000 0.261 205 L C 0.638 177.668 176.870 0.267 0.000 1.153 205 L CA -0.794 54.130 54.840 0.139 0.000 0.808 205 L CB 0.469 42.579 42.059 0.084 0.000 1.126 205 L HN 0.543 nan 8.230 nan 0.000 0.460 206 D N 1.100 121.641 120.400 0.234 0.000 2.371 206 D HA 0.191 4.830 4.640 -0.000 0.000 0.242 206 D C 0.067 176.437 176.300 0.117 0.000 1.218 206 D CA -0.209 53.912 54.000 0.201 0.000 0.945 206 D CB 0.725 41.608 40.800 0.137 0.000 1.137 206 D HN 0.210 nan 8.370 nan 0.000 0.464 207 R N 0.375 120.939 120.500 0.106 0.000 2.536 207 R HA 0.257 4.597 4.340 -0.000 0.000 0.279 207 R C 1.099 177.492 176.300 0.155 0.000 1.001 207 R CA -0.676 55.490 56.100 0.110 0.000 1.027 207 R CB 0.827 31.184 30.300 0.095 0.000 1.096 207 R HN 0.156 nan 8.270 nan 0.000 0.502 208 V N 0.770 120.758 119.914 0.124 0.000 2.379 208 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 208 V C 0.845 177.078 176.094 0.232 0.000 1.044 208 V CA 1.686 64.070 62.300 0.139 0.000 1.036 208 V CB -0.203 31.666 31.823 0.077 0.000 0.664 208 V HN 0.663 nan 8.190 nan 0.000 0.453 209 T N 1.227 115.862 114.554 0.135 0.000 2.795 209 T HA 0.239 4.589 4.350 -0.000 0.000 0.282 209 T C -0.032 174.601 174.700 -0.112 0.000 0.980 209 T CA -0.259 61.853 62.100 0.021 0.000 1.012 209 T CB 0.862 69.715 68.868 -0.025 0.000 0.936 209 T HN 0.211 nan 8.240 nan 0.000 0.457 210 N N 4.678 123.066 118.700 -0.521 0.000 2.416 210 N HA 0.119 4.859 4.740 -0.000 0.000 0.265 210 N C -1.270 174.031 175.510 -0.348 0.000 1.195 210 N CA -2.107 50.486 53.050 -0.761 0.000 0.943 210 N CB 1.073 38.763 38.487 -1.328 0.000 1.115 210 N HN 0.262 nan 8.380 nan 0.000 0.481 211 P HA -0.057 nan 4.420 nan 0.000 0.226 211 P C 0.022 177.226 177.300 -0.159 0.000 1.153 211 P CA 0.904 63.911 63.100 -0.155 0.000 0.777 211 P CB 0.467 32.095 31.700 -0.120 0.000 0.794 212 N N 0.256 118.835 118.700 -0.201 0.000 2.336 212 N HA -0.002 4.738 4.740 -0.000 0.000 0.189 212 N C 0.628 176.042 175.510 -0.160 0.000 1.113 212 N CA 0.197 53.146 53.050 -0.169 0.000 0.858 212 N CB 0.104 38.480 38.487 -0.184 0.000 0.970 212 N HN 0.520 nan 8.380 nan 0.000 0.471 213 E N 0.655 120.732 120.200 -0.204 0.000 2.316 213 E HA 0.168 4.518 4.350 -0.000 0.000 0.275 213 E C -0.478 176.057 176.600 -0.109 0.000 1.029 213 E CA -0.406 55.893 56.400 -0.170 0.000 0.871 213 E CB 1.629 31.193 29.700 -0.227 0.000 1.022 213 E HN -0.273 nan 8.360 nan 0.000 0.418 214 V N 4.626 124.495 119.914 -0.075 0.000 2.348 214 V HA 0.139 4.259 4.120 -0.000 0.000 0.270 214 V C -0.335 175.731 176.094 -0.046 0.000 1.037 214 V CA -0.590 61.678 62.300 -0.053 0.000 0.872 214 V CB 0.977 32.779 31.823 -0.035 0.000 1.002 214 V HN 0.625 nan 8.190 nan 0.000 0.464 215 K N 6.282 126.654 120.400 -0.046 0.000 2.248 215 K HA 0.354 4.673 4.320 -0.000 0.000 0.281 215 K C -0.058 176.528 176.600 -0.024 0.000 1.054 215 K CA -0.359 55.906 56.287 -0.037 0.000 0.903 215 K CB 0.922 33.398 32.500 -0.040 0.000 1.077 215 K HN 0.668 nan 8.250 nan 0.000 0.474 216 K N 2.746 123.136 120.400 -0.016 0.000 2.382 216 K HA 0.036 4.356 4.320 -0.000 0.000 0.275 216 K C 0.215 176.810 176.600 -0.008 0.000 1.009 216 K CA 0.032 56.313 56.287 -0.010 0.000 0.970 216 K CB 0.645 33.142 32.500 -0.006 0.000 0.934 216 K HN 0.413 nan 8.250 nan 0.000 0.479 217 Q N 1.766 121.564 119.800 -0.004 0.000 2.296 217 Q HA 0.044 4.384 4.340 -0.000 0.000 0.262 217 Q C 0.101 176.102 176.000 0.001 0.000 0.981 217 Q CA -0.180 55.622 55.803 -0.001 0.000 0.905 217 Q CB 0.830 29.571 28.738 0.004 0.000 1.186 217 Q HN 0.605 nan 8.270 nan 0.000 0.399 218 T N -1.578 112.976 114.554 0.000 0.000 2.882 218 T HA 0.088 4.438 4.350 -0.000 0.000 0.287 218 T C 1.129 175.832 174.700 0.005 0.000 1.014 218 T CA -0.705 61.396 62.100 0.002 0.000 1.049 218 T CB 1.267 70.135 68.868 0.000 0.000 1.001 218 T HN 0.430 nan 8.240 nan 0.000 0.525 219 V N 1.861 121.778 119.914 0.006 0.000 2.332 219 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 219 V C 2.372 178.471 176.094 0.008 0.000 1.055 219 V CA 2.798 65.103 62.300 0.008 0.000 1.038 219 V CB -1.473 30.354 31.823 0.007 0.000 0.651 219 V HN 1.135 nan 8.190 nan 0.000 0.450 220 T N 0.725 115.281 114.554 0.005 0.000 2.759 220 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 220 T C 1.985 176.686 174.700 0.003 0.000 1.042 220 T CA 1.794 63.896 62.100 0.003 0.000 1.140 220 T CB -0.582 68.286 68.868 -0.000 0.000 0.864 220 T HN 0.738 nan 8.240 nan 0.000 0.455 221 A N 0.854 123.675 122.820 0.002 0.000 1.898 221 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 221 A C 2.569 180.158 177.584 0.009 0.000 1.183 221 A CA 0.831 52.868 52.037 -0.001 0.000 0.622 221 A CB -0.729 18.267 19.000 -0.006 0.000 0.824 221 A HN 0.352 nan 8.150 nan 0.000 0.444 222 V N 0.261 120.186 119.914 0.019 0.000 2.343 222 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 222 V C 2.559 178.680 176.094 0.045 0.000 1.051 222 V CA 2.110 64.432 62.300 0.036 0.000 1.036 222 V CB -0.905 30.938 31.823 0.034 0.000 0.654 222 V HN 0.495 nan 8.190 nan 0.000 0.451 223 R N 0.113 120.631 120.500 0.030 0.000 2.091 223 R HA -0.226 4.114 4.340 -0.000 0.000 0.238 223 R C 2.425 178.743 176.300 0.030 0.000 1.136 223 R CA 1.769 57.886 56.100 0.030 0.000 0.959 223 R CB -0.304 30.006 30.300 0.018 0.000 0.856 223 R HN 0.342 nan 8.270 nan 0.000 0.437 224 K N 0.840 121.251 120.400 0.019 0.000 2.097 224 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 224 K C 1.863 178.472 176.600 0.015 0.000 1.050 224 K CA 1.308 57.602 56.287 0.010 0.000 0.938 224 K CB 0.016 32.512 32.500 -0.006 0.000 0.718 224 K HN 0.125 nan 8.250 nan 0.000 0.442 225 E N 0.195 120.405 120.200 0.018 0.000 2.058 225 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 225 E C 1.890 178.548 176.600 0.097 0.000 0.997 225 E CA 1.561 57.971 56.400 0.016 0.000 0.801 225 E CB -0.111 29.639 29.700 0.084 0.000 0.746 225 E HN 0.293 nan 8.360 nan 0.000 0.450 226 I N 0.522 121.182 120.570 0.150 0.000 2.151 226 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 226 I C 2.666 178.854 176.117 0.118 0.000 1.080 226 I CA 1.310 62.718 61.300 0.180 0.000 1.339 226 I CB -0.216 37.849 38.000 0.109 0.000 1.039 226 I HN 0.267 nan 8.210 nan 0.000 0.409 227 M N -0.947 118.690 119.600 0.061 0.000 2.108 227 M HA -0.265 4.215 4.480 -0.000 0.000 0.261 227 M C 2.452 178.750 176.300 -0.003 0.000 1.066 227 M CA 1.961 57.277 55.300 0.026 0.000 1.107 227 M CB -0.590 32.020 32.600 0.017 0.000 1.356 227 M HN 0.270 nan 8.290 nan 0.000 0.406 228 Y N 0.231 120.453 120.300 -0.130 0.000 2.097 228 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 228 Y C 1.920 177.709 175.900 -0.185 0.000 1.152 228 Y CA 1.796 59.765 58.100 -0.217 0.000 1.136 228 Y CB -0.803 37.428 38.460 -0.382 0.000 0.975 228 Y HN 0.144 nan 8.280 nan 0.000 0.498 229 Y N 0.462 120.704 120.300 -0.096 0.000 2.224 229 Y HA -0.287 4.263 4.550 -0.000 0.000 0.289 229 Y C 2.692 178.483 175.900 -0.181 0.000 1.146 229 Y CA 1.543 59.540 58.100 -0.172 0.000 1.182 229 Y CB -0.480 37.988 38.460 0.013 0.000 0.983 229 Y HN 0.229 nan 8.280 nan 0.000 0.524 230 Q N 0.104 119.920 119.800 0.026 0.000 2.061 230 Q HA -0.305 4.035 4.340 -0.000 0.000 0.204 230 Q C 2.273 178.230 176.000 -0.072 0.000 0.984 230 Q CA 2.088 57.884 55.803 -0.011 0.000 0.846 230 Q CB -0.244 28.495 28.738 0.002 0.000 0.902 230 Q HN 0.617 nan 8.270 nan 0.000 0.421 231 Q N 0.072 119.794 119.800 -0.130 0.000 2.123 231 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 231 Q C 1.866 177.755 176.000 -0.186 0.000 0.966 231 Q CA 1.501 57.220 55.803 -0.140 0.000 0.845 231 Q CB -0.527 28.134 28.738 -0.129 0.000 0.907 231 Q HN 0.264 nan 8.270 nan 0.000 0.439 232 A N 1.187 123.812 122.820 -0.325 0.000 1.933 232 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 232 A C 2.162 179.667 177.584 -0.131 0.000 1.175 232 A CA 1.364 53.220 52.037 -0.302 0.000 0.628 232 A CB -0.808 17.879 19.000 -0.521 0.000 0.814 232 A HN 0.423 nan 8.150 nan 0.000 0.444 233 L N -1.544 119.625 121.223 -0.090 0.000 2.275 233 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 233 L C 2.563 179.410 176.870 -0.038 0.000 1.119 233 L CA 1.017 55.832 54.840 -0.042 0.000 0.790 233 L CB -0.272 41.773 42.059 -0.022 0.000 0.919 233 L HN 0.414 nan 8.230 nan 0.000 0.443 234 M N -1.258 118.312 119.600 -0.049 0.000 2.558 234 M HA 0.007 4.487 4.480 -0.000 0.000 0.255 234 M C 0.461 176.741 176.300 -0.033 0.000 1.113 234 M CA 0.579 55.858 55.300 -0.036 0.000 1.097 234 M CB 0.252 32.829 32.600 -0.038 0.000 1.426 234 M HN 0.034 nan 8.290 nan 0.000 0.488 235 R N 0.637 121.112 120.500 -0.042 0.000 2.357 235 R HA 0.261 4.601 4.340 -0.000 0.000 0.296 235 R C 0.139 176.428 176.300 -0.018 0.000 1.052 235 R CA -0.282 55.799 56.100 -0.031 0.000 0.988 235 R CB 0.979 31.255 30.300 -0.041 0.000 1.025 235 R HN 0.124 nan 8.270 nan 0.000 0.469 236 S N 0.890 116.585 115.700 -0.008 0.000 2.616 236 S HA 0.480 4.950 4.470 -0.000 0.000 0.277 236 S C 0.239 174.840 174.600 0.002 0.000 1.234 236 S CA -0.683 57.516 58.200 -0.002 0.000 1.028 236 S CB 1.760 64.962 63.200 0.003 0.000 0.988 236 S HN 0.656 nan 8.310 nan 0.000 0.522 237 T N -1.601 112.956 114.554 0.005 0.000 2.888 237 T HA 0.783 5.133 4.350 -0.000 0.000 0.288 237 T C 0.013 174.719 174.700 0.010 0.000 1.063 237 T CA -0.457 61.648 62.100 0.008 0.000 1.010 237 T CB 0.784 69.657 68.868 0.009 0.000 1.214 237 T HN 1.515 nan 8.240 nan 0.000 0.533 238 V N -1.826 118.095 119.914 0.011 0.000 3.019 238 V HA 0.693 4.812 4.120 -0.000 0.000 0.317 238 V C -0.244 175.857 176.094 0.012 0.000 1.094 238 V CA -1.476 60.832 62.300 0.013 0.000 1.000 238 V CB 1.126 32.959 31.823 0.015 0.000 1.060 238 V HN 0.999 nan 8.190 nan 0.000 0.443 239 K N 1.198 121.606 120.400 0.012 0.000 2.355 239 K HA 0.236 4.556 4.320 -0.000 0.000 0.270 239 K C 1.375 177.982 176.600 0.012 0.000 1.003 239 K CA 0.465 56.759 56.287 0.011 0.000 0.957 239 K CB 0.894 33.400 32.500 0.011 0.000 0.939 239 K HN 0.814 nan 8.250 nan 0.000 0.482 240 S N 0.973 116.680 115.700 0.011 0.000 2.387 240 S HA -0.199 4.270 4.470 -0.000 0.000 0.230 240 S C 1.940 176.547 174.600 0.012 0.000 1.035 240 S CA 1.890 60.096 58.200 0.011 0.000 1.014 240 S CB -0.223 62.983 63.200 0.010 0.000 0.836 240 S HN 0.797 nan 8.310 nan 0.000 0.466 241 S N 1.273 116.980 115.700 0.012 0.000 2.383 241 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 241 S C 1.851 176.461 174.600 0.017 0.000 1.030 241 S CA 1.253 59.461 58.200 0.014 0.000 1.002 241 S CB -0.743 62.465 63.200 0.012 0.000 0.829 241 S HN 0.317 nan 8.310 nan 0.000 0.467 242 V N 2.799 122.723 119.914 0.017 0.000 2.255 242 V HA -0.133 3.987 4.120 -0.000 0.000 0.243 242 V C 3.162 179.270 176.094 0.023 0.000 1.038 242 V CA 1.961 64.274 62.300 0.021 0.000 1.008 242 V CB -1.110 30.726 31.823 0.020 0.000 0.645 242 V HN 0.780 nan 8.190 nan 0.000 0.449 243 S N 0.317 116.028 115.700 0.019 0.000 2.355 243 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 243 S C 1.995 176.605 174.600 0.017 0.000 1.031 243 S CA 1.474 59.684 58.200 0.016 0.000 0.993 243 S CB -0.729 62.477 63.200 0.010 0.000 0.859 243 S HN 0.471 nan 8.310 nan 0.000 0.453 244 L N 1.517 122.750 121.223 0.016 0.000 2.141 244 L HA 0.064 4.404 4.340 -0.000 0.000 0.209 244 L C 2.984 179.871 176.870 0.027 0.000 1.094 244 L CA 0.989 55.840 54.840 0.018 0.000 0.763 244 L CB -1.232 40.836 42.059 0.015 0.000 0.908 244 L HN 0.535 nan 8.230 nan 0.000 0.437 245 G N 0.010 108.827 108.800 0.028 0.000 2.422 245 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 245 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 245 G C 1.591 176.520 174.900 0.049 0.000 1.146 245 G CA 0.759 45.879 45.100 0.034 0.000 0.769 245 G HN 0.475 nan 8.290 nan 0.000 0.547 246 G N 0.966 109.797 108.800 0.053 0.000 2.402 246 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 246 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 246 G C 1.771 176.733 174.900 0.102 0.000 1.162 246 G CA 0.775 45.922 45.100 0.077 0.000 0.777 246 G HN 0.439 nan 8.290 nan 0.000 0.539 247 I N 0.336 120.944 120.570 0.064 0.000 2.179 247 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 247 I C 2.803 178.985 176.117 0.108 0.000 1.088 247 I CA 0.574 61.912 61.300 0.064 0.000 1.357 247 I CB -0.317 37.694 38.000 0.017 0.000 1.051 247 I HN 0.024 nan 8.210 nan 0.000 0.409 248 V N 0.815 120.775 119.914 0.078 0.000 2.287 248 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 248 V C 2.465 178.610 176.094 0.085 0.000 1.053 248 V CA 1.981 64.323 62.300 0.071 0.000 1.027 248 V CB -0.683 31.166 31.823 0.045 0.000 0.646 248 V HN 0.371 nan 8.190 nan 0.000 0.447 249 K N -1.236 119.217 120.400 0.087 0.000 2.032 249 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 249 K C 2.161 178.825 176.600 0.106 0.000 1.048 249 K CA 2.089 58.420 56.287 0.073 0.000 0.927 249 K CB -0.432 32.109 32.500 0.068 0.000 0.712 249 K HN 0.532 nan 8.250 nan 0.000 0.441 250 Y N 1.529 121.869 120.300 0.067 0.000 2.053 250 Y HA -0.322 4.228 4.550 -0.000 0.000 0.277 250 Y C 2.435 178.435 175.900 0.168 0.000 1.159 250 Y CA 1.977 60.157 58.100 0.134 0.000 1.125 250 Y CB -0.340 38.161 38.460 0.068 0.000 0.969 250 Y HN -0.026 nan 8.280 nan 0.000 0.492 251 S N 0.139 116.021 115.700 0.304 0.000 2.383 251 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 251 S C 1.788 176.448 174.600 0.100 0.000 1.030 251 S CA 1.401 59.725 58.200 0.206 0.000 1.002 251 S CB -0.288 63.008 63.200 0.161 0.000 0.829 251 S HN 0.514 nan 8.310 nan 0.000 0.467 252 E N 1.137 121.368 120.200 0.051 0.000 2.077 252 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 252 E C 2.214 178.755 176.600 -0.098 0.000 0.989 252 E CA 0.882 57.276 56.400 -0.010 0.000 0.800 252 E CB -0.396 29.295 29.700 -0.015 0.000 0.746 252 E HN 0.632 nan 8.360 nan 0.000 0.452 253 Q N -0.374 119.318 119.800 -0.180 0.000 2.124 253 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 253 Q C 1.533 177.129 176.000 -0.673 0.000 0.977 253 Q CA 1.202 56.702 55.803 -0.506 0.000 0.850 253 Q CB -0.043 28.330 28.738 -0.608 0.000 0.901 253 Q HN 0.175 nan 8.270 nan 0.000 0.429 254 F N 0.039 119.759 119.950 -0.383 0.000 2.765 254 F HA 0.055 4.582 4.527 -0.000 0.000 0.302 254 F C 2.397 178.189 175.800 -0.013 0.000 1.111 254 F CA 0.578 58.485 58.000 -0.156 0.000 1.359 254 F CB 0.186 39.072 39.000 -0.190 0.000 1.097 254 F HN 0.164 nan 8.300 nan 0.000 0.577 255 S N -0.383 115.370 115.700 0.087 0.000 2.370 255 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 255 S C 2.235 176.883 174.600 0.081 0.000 1.033 255 S CA 1.464 59.715 58.200 0.085 0.000 1.011 255 S CB -1.092 62.135 63.200 0.044 0.000 0.852 255 S HN 0.393 nan 8.310 nan 0.000 0.457 256 S N 1.961 117.698 115.700 0.061 0.000 2.474 256 S HA 0.040 4.510 4.470 -0.000 0.000 0.235 256 S C 1.563 176.225 174.600 0.103 0.000 0.997 256 S CA 0.727 58.967 58.200 0.067 0.000 0.949 256 S CB -0.656 62.577 63.200 0.054 0.000 0.766 256 S HN 0.581 nan 8.310 nan 0.000 0.517 257 N N 1.399 120.193 118.700 0.158 0.000 2.336 257 N HA 0.040 4.780 4.740 -0.000 0.000 0.189 257 N C -0.449 175.186 175.510 0.209 0.000 1.113 257 N CA 0.304 53.475 53.050 0.202 0.000 0.858 257 N CB 0.031 38.684 38.487 0.277 0.000 0.970 257 N HN 0.447 nan 8.380 nan 0.000 0.471 258 D N 0.687 121.190 120.400 0.172 0.000 2.411 258 D HA 0.236 4.876 4.640 -0.000 0.000 0.225 258 D C 0.758 177.114 176.300 0.093 0.000 1.156 258 D CA -0.288 53.800 54.000 0.147 0.000 0.874 258 D CB 1.282 42.163 40.800 0.135 0.000 1.034 258 D HN 0.071 nan 8.370 nan 0.000 0.502 259 A N 4.473 127.344 122.820 0.085 0.000 2.015 259 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 259 A C 2.219 179.808 177.584 0.008 0.000 1.163 259 A CA 0.635 52.679 52.037 0.013 0.000 0.646 259 A CB -0.295 18.681 19.000 -0.040 0.000 0.806 259 A HN 0.735 nan 8.150 nan 0.000 0.448 260 I N -0.865 119.726 120.570 0.035 0.000 2.361 260 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 260 I C 2.570 178.697 176.117 0.017 0.000 1.133 260 I CA 1.293 62.606 61.300 0.022 0.000 1.413 260 I CB -0.181 37.835 38.000 0.027 0.000 1.073 260 I HN 0.351 nan 8.210 nan 0.000 0.424 261 M N -1.222 118.395 119.600 0.028 0.000 2.466 261 M HA 0.009 4.489 4.480 -0.000 0.000 0.265 261 M C 1.611 177.920 176.300 0.015 0.000 1.122 261 M CA 1.067 56.382 55.300 0.024 0.000 1.157 261 M CB 0.193 32.816 32.600 0.038 0.000 1.352 261 M HN 0.021 nan 8.290 nan 0.000 0.464 262 S N -0.422 115.287 115.700 0.015 0.000 2.666 262 S HA 0.394 4.864 4.470 -0.000 0.000 0.239 262 S C 0.654 175.245 174.600 -0.016 0.000 1.031 262 S CA 0.194 58.398 58.200 0.007 0.000 1.015 262 S CB 0.831 64.046 63.200 0.025 0.000 0.981 262 S HN 0.665 nan 8.310 nan 0.000 0.547 263 G N 1.531 110.311 108.800 -0.034 0.000 2.749 263 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 263 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 263 G C -0.072 174.755 174.900 -0.121 0.000 1.364 263 G CA -0.393 44.660 45.100 -0.078 0.000 0.888 263 G HN 1.317 nan 8.290 nan 0.000 0.566 264 C N -2.217 116.960 119.300 -0.204 0.000 3.318 264 C HA 0.862 5.322 4.460 -0.000 0.000 0.322 264 C C -0.325 174.539 174.990 -0.209 0.000 1.398 264 C CA -1.349 57.505 59.018 -0.273 0.000 1.339 264 C CB 1.040 28.345 27.740 -0.726 0.000 1.668 264 C HN 1.079 nan 8.230 nan 0.000 0.462 265 L N 1.666 122.847 121.223 -0.070 0.000 2.346 265 L HA 0.535 4.875 4.340 -0.000 0.000 0.274 265 L C -1.352 175.590 176.870 0.119 0.000 1.007 265 L CA -1.629 53.214 54.840 0.005 0.000 0.818 265 L CB 2.716 44.788 42.059 0.022 0.000 1.284 265 L HN 0.581 nan 8.230 nan 0.000 0.424 266 P HA -0.046 nan 4.420 nan 0.000 0.222 266 P C 0.010 177.275 177.300 -0.058 0.000 1.153 266 P CA 0.707 63.803 63.100 -0.007 0.000 0.798 266 P CB 0.435 32.132 31.700 -0.006 0.000 0.796 267 S N -1.988 113.648 115.700 -0.106 0.000 2.595 267 S HA 0.235 4.705 4.470 -0.000 0.000 0.270 267 S C -1.045 173.385 174.600 -0.282 0.000 1.145 267 S CA -1.037 57.066 58.200 -0.162 0.000 0.825 267 S CB 0.467 63.595 63.200 -0.120 0.000 1.107 267 S HN -0.106 nan 8.310 nan 0.000 0.461 268 N N 1.630 120.163 118.700 -0.277 0.000 2.420 268 N HA 0.351 5.091 4.740 -0.000 0.000 0.262 268 N C -1.801 173.521 175.510 -0.313 0.000 1.144 268 N CA -1.829 51.027 53.050 -0.323 0.000 0.952 268 N CB 1.009 39.399 38.487 -0.161 0.000 1.081 268 N HN 0.327 nan 8.380 nan 0.000 0.480 269 P HA -0.097 nan 4.420 nan 0.000 0.217 269 P C 0.698 177.669 177.300 -0.548 0.000 1.148 269 P CA 1.435 64.083 63.100 -0.753 0.000 0.828 269 P CB -0.005 30.701 31.700 -1.656 0.000 0.783 270 W N -1.083 120.089 121.300 -0.213 0.000 2.425 270 W HA 0.002 4.662 4.660 -0.000 0.000 0.277 270 W C 2.111 178.591 176.519 -0.064 0.000 1.231 270 W CA 0.230 57.533 57.345 -0.070 0.000 1.248 270 W CB -0.746 28.711 29.460 -0.005 0.000 1.117 270 W HN -0.078 nan 8.180 nan 0.000 0.568 271 I N -0.557 120.072 120.570 0.098 0.000 2.494 271 I HA -0.146 4.024 4.170 -0.000 0.000 0.250 271 I C 2.441 178.552 176.117 -0.010 0.000 1.112 271 I CA 1.697 63.021 61.300 0.039 0.000 1.438 271 I CB -0.583 37.421 38.000 0.007 0.000 1.111 271 I HN -0.075 nan 8.210 nan 0.000 0.431 272 T N -4.458 110.058 114.554 -0.063 0.000 3.022 272 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 272 T C 0.610 175.261 174.700 -0.082 0.000 1.060 272 T CA 0.127 62.184 62.100 -0.071 0.000 1.013 272 T CB 0.182 68.996 68.868 -0.091 0.000 0.982 272 T HN 0.150 nan 8.240 nan 0.000 0.508 273 D N 0.966 121.296 120.400 -0.117 0.000 3.079 273 D HA -0.119 4.521 4.640 -0.000 0.000 0.214 273 D C -0.500 175.710 176.300 -0.151 0.000 1.145 273 D CA 1.323 55.245 54.000 -0.129 0.000 0.958 273 D CB -1.531 39.234 40.800 -0.057 0.000 1.117 273 D HN 0.570 nan 8.370 nan 0.000 0.416 274 D N 0.183 120.477 120.400 -0.177 0.000 2.313 274 D HA 0.226 4.866 4.640 -0.000 0.000 0.239 274 D C 1.252 177.410 176.300 -0.238 0.000 1.142 274 D CA 0.308 54.215 54.000 -0.156 0.000 0.847 274 D CB 0.826 41.556 40.800 -0.117 0.000 1.082 274 D HN 0.100 nan 8.370 nan 0.000 0.480 275 T N 0.612 115.063 114.554 -0.171 0.000 3.148 275 T HA -0.054 4.296 4.350 -0.000 0.000 0.253 275 T C 1.494 176.158 174.700 -0.060 0.000 1.134 275 T CA 0.217 62.219 62.100 -0.163 0.000 1.051 275 T CB 0.068 68.975 68.868 0.066 0.000 0.959 275 T HN 0.432 nan 8.240 nan 0.000 0.525 276 Q N -0.070 119.699 119.800 -0.053 0.000 2.112 276 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 276 Q C 1.690 177.706 176.000 0.028 0.000 0.987 276 Q CA 1.715 57.516 55.803 -0.003 0.000 0.858 276 Q CB -0.363 28.371 28.738 -0.007 0.000 0.905 276 Q HN 0.731 nan 8.270 nan 0.000 0.420 277 F N -0.612 119.245 119.950 -0.155 0.000 2.126 277 F HA -0.285 4.242 4.527 -0.000 0.000 0.299 277 F C 1.501 177.315 175.800 0.023 0.000 1.096 277 F CA 1.380 59.305 58.000 -0.125 0.000 1.255 277 F CB -0.116 38.737 39.000 -0.246 0.000 0.997 277 F HN 0.215 nan 8.300 nan 0.000 0.479 278 W N 1.170 122.412 121.300 -0.097 0.000 2.388 278 W HA -0.121 4.538 4.660 -0.000 0.000 0.294 278 W C 2.252 178.677 176.519 -0.158 0.000 1.212 278 W CA 1.007 58.245 57.345 -0.178 0.000 1.271 278 W CB -1.338 28.076 29.460 -0.076 0.000 1.126 278 W HN 0.120 nan 8.180 nan 0.000 0.535 279 D N 0.073 120.548 120.400 0.125 0.000 2.144 279 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 279 D C 2.339 178.637 176.300 -0.003 0.000 0.978 279 D CA 1.149 55.181 54.000 0.052 0.000 0.833 279 D CB -0.669 40.157 40.800 0.043 0.000 0.961 279 D HN 0.156 nan 8.370 nan 0.000 0.470 280 L N 0.475 121.676 121.223 -0.037 0.000 2.201 280 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 280 L C 1.329 178.139 176.870 -0.100 0.000 1.105 280 L CA 0.742 55.544 54.840 -0.063 0.000 0.775 280 L CB -0.104 41.918 42.059 -0.061 0.000 0.913 280 L HN -0.038 nan 8.230 nan 0.000 0.440 281 N N 0.255 118.861 118.700 -0.156 0.000 2.275 281 N HA 0.210 4.950 4.740 -0.000 0.000 0.236 281 N C 0.285 175.751 175.510 -0.073 0.000 1.154 281 N CA 0.015 52.968 53.050 -0.162 0.000 0.866 281 N CB 0.630 38.901 38.487 -0.359 0.000 1.093 281 N HN 0.092 nan 8.380 nan 0.000 0.515 282 A N 1.021 123.818 122.820 -0.037 0.000 2.555 282 A HA -0.030 4.290 4.320 -0.000 0.000 0.233 282 A C 1.552 179.135 177.584 -0.002 0.000 1.060 282 A CA 0.153 52.180 52.037 -0.018 0.000 0.759 282 A CB 0.614 19.610 19.000 -0.008 0.000 0.995 282 A HN 0.207 nan 8.150 nan 0.000 0.506 283 K N 0.094 120.493 120.400 -0.001 0.000 2.044 283 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 283 K C 0.289 176.908 176.600 0.032 0.000 1.049 283 K CA 1.463 57.760 56.287 0.017 0.000 0.927 283 K CB -0.167 32.335 32.500 0.004 0.000 0.713 283 K HN 0.498 nan 8.250 nan 0.000 0.443 284 L N 0.734 121.970 121.223 0.022 0.000 3.062 284 L HA 0.195 4.535 4.340 -0.000 0.000 0.255 284 L C -0.381 176.504 176.870 0.025 0.000 1.274 284 L CA -0.052 54.804 54.840 0.028 0.000 1.047 284 L CB 0.528 42.598 42.059 0.019 0.000 1.402 284 L HN -0.110 nan 8.230 nan 0.000 0.550 285 V N 0.319 120.248 119.914 0.024 0.000 2.901 285 V HA -0.096 4.024 4.120 -0.000 0.000 0.307 285 V C 1.855 177.963 176.094 0.024 0.000 1.084 285 V CA 0.375 62.685 62.300 0.016 0.000 1.184 285 V CB 1.377 33.203 31.823 0.005 0.000 0.941 285 V HN 0.564 nan 8.190 nan 0.000 0.493 286 E N 4.405 124.614 120.200 0.014 0.000 2.051 286 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 286 E C 0.424 177.035 176.600 0.017 0.000 0.991 286 E CA 1.564 57.973 56.400 0.015 0.000 0.799 286 E CB 0.019 29.723 29.700 0.006 0.000 0.748 286 E HN 0.699 nan 8.360 nan 0.000 0.449 287 I N 2.302 122.875 120.570 0.005 0.000 2.411 287 I HA 0.278 4.447 4.170 -0.000 0.000 0.284 287 I C -2.243 173.864 176.117 -0.016 0.000 1.012 287 I CA -2.451 58.846 61.300 -0.005 0.000 1.119 287 I CB 1.818 39.805 38.000 -0.021 0.000 1.261 287 I HN -0.027 nan 8.210 nan 0.000 0.448 288 P HA 0.095 nan 4.420 nan 0.000 0.272 288 P C -0.077 177.156 177.300 -0.111 0.000 1.230 288 P CA -0.164 62.907 63.100 -0.049 0.000 0.788 288 P CB 0.417 32.087 31.700 -0.048 0.000 0.949 289 T N -2.122 112.359 114.554 -0.120 0.000 2.860 289 T HA 0.136 4.486 4.350 -0.000 0.000 0.299 289 T C 1.262 175.850 174.700 -0.188 0.000 1.045 289 T CA -0.482 61.545 62.100 -0.121 0.000 1.071 289 T CB 0.850 69.668 68.868 -0.083 0.000 0.985 289 T HN 0.373 nan 8.240 nan 0.000 0.537 290 K N 0.351 120.656 120.400 -0.159 0.000 2.057 290 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 290 K C 2.325 178.794 176.600 -0.218 0.000 1.049 290 K CA 1.228 57.397 56.287 -0.197 0.000 0.931 290 K CB -0.198 32.219 32.500 -0.139 0.000 0.714 290 K HN 0.573 nan 8.250 nan 0.000 0.440 291 M N 0.368 119.878 119.600 -0.149 0.000 2.106 291 M HA -0.223 4.256 4.480 -0.000 0.000 0.259 291 M C 2.312 178.468 176.300 -0.240 0.000 1.068 291 M CA 1.672 56.891 55.300 -0.135 0.000 1.100 291 M CB -0.779 31.803 32.600 -0.031 0.000 1.351 291 M HN 0.229 nan 8.290 nan 0.000 0.404 292 R N 0.147 120.491 120.500 -0.260 0.000 2.073 292 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 292 R C 2.022 177.836 176.300 -0.810 0.000 1.134 292 R CA 1.504 57.396 56.100 -0.346 0.000 0.952 292 R CB -0.171 30.000 30.300 -0.215 0.000 0.850 292 R HN 0.199 nan 8.270 nan 0.000 0.433 293 V N 1.428 120.786 119.914 -0.927 0.000 2.407 293 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 293 V C 2.021 177.716 176.094 -0.665 0.000 1.055 293 V CA 2.085 63.606 62.300 -1.298 0.000 1.049 293 V CB -0.509 30.770 31.823 -0.908 0.000 0.662 293 V HN 0.429 nan 8.190 nan 0.000 0.455 294 E N -0.111 119.824 120.200 -0.442 0.000 2.110 294 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 294 E C 2.418 178.690 176.600 -0.547 0.000 0.988 294 E CA 1.177 57.415 56.400 -0.271 0.000 0.804 294 E CB -0.213 29.372 29.700 -0.191 0.000 0.745 294 E HN 0.465 nan 8.360 nan 0.000 0.458 295 R N 0.232 120.259 120.500 -0.789 0.000 2.152 295 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 295 R C 1.523 177.507 176.300 -0.526 0.000 1.117 295 R CA 1.215 56.568 56.100 -1.245 0.000 0.981 295 R CB -0.058 29.857 30.300 -0.642 0.000 0.870 295 R HN 0.228 nan 8.270 nan 0.000 0.451 296 W N 0.060 121.222 121.300 -0.229 0.000 2.364 296 W HA -0.016 4.644 4.660 -0.000 0.000 0.281 296 W C 1.960 178.520 176.519 0.068 0.000 1.219 296 W CA 0.724 58.065 57.345 -0.007 0.000 1.220 296 W CB -0.751 28.810 29.460 0.169 0.000 1.127 296 W HN 0.237 nan 8.180 nan 0.000 0.556 297 A N -1.062 121.865 122.820 0.178 0.000 2.238 297 A HA 0.053 4.372 4.320 -0.000 0.000 0.208 297 A C 1.595 179.379 177.584 0.333 0.000 1.177 297 A CA 0.395 52.515 52.037 0.139 0.000 0.804 297 A CB -0.833 18.187 19.000 0.034 0.000 0.823 297 A HN 0.060 nan 8.150 nan 0.000 0.482 298 F N 1.023 121.037 119.950 0.107 0.000 2.149 298 F HA 0.075 4.602 4.527 -0.000 0.000 0.294 298 F C 1.302 177.203 175.800 0.169 0.000 1.095 298 F CA 0.665 58.669 58.000 0.007 0.000 1.276 298 F CB -0.511 38.324 39.000 -0.275 0.000 1.023 298 F HN 0.561 nan 8.300 nan 0.000 0.480 299 N N -3.094 115.877 118.700 0.451 0.000 3.046 299 N HA -0.002 4.738 4.740 -0.000 0.000 0.243 299 N C 0.138 175.657 175.510 0.015 0.000 1.452 299 N CA -0.495 52.750 53.050 0.325 0.000 0.882 299 N CB 0.686 39.368 38.487 0.326 0.000 1.425 299 N HN -0.128 nan 8.380 nan 0.000 0.517 300 F N 2.206 121.792 119.950 -0.606 0.000 2.171 300 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 300 F C 2.661 178.129 175.800 -0.552 0.000 1.090 300 F CA 2.249 59.536 58.000 -1.188 0.000 1.293 300 F CB -0.506 37.821 39.000 -1.121 0.000 1.013 300 F HN 0.690 nan 8.300 nan 0.000 0.486 301 S N -0.464 115.094 115.700 -0.237 0.000 2.399 301 S HA -0.177 4.292 4.470 -0.000 0.000 0.231 301 S C 1.834 176.337 174.600 -0.162 0.000 1.022 301 S CA 1.181 59.264 58.200 -0.195 0.000 0.983 301 S CB -0.595 62.616 63.200 0.017 0.000 0.803 301 S HN 0.435 nan 8.310 nan 0.000 0.480 302 E N 1.223 121.406 120.200 -0.028 0.000 2.077 302 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 302 E C 2.032 178.586 176.600 -0.076 0.000 0.989 302 E CA 0.928 57.372 56.400 0.073 0.000 0.800 302 E CB -0.612 29.233 29.700 0.242 0.000 0.746 302 E HN 0.540 nan 8.360 nan 0.000 0.452 303 L N 0.852 121.926 121.223 -0.249 0.000 2.027 303 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 303 L C 2.108 178.604 176.870 -0.623 0.000 1.074 303 L CA 1.290 55.824 54.840 -0.511 0.000 0.745 303 L CB -0.345 41.444 42.059 -0.449 0.000 0.898 303 L HN 0.020 nan 8.230 nan 0.000 0.433 304 I N -0.209 119.946 120.570 -0.692 0.000 2.315 304 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 304 I C 2.509 178.434 176.117 -0.319 0.000 1.117 304 I CA 1.259 62.185 61.300 -0.623 0.000 1.404 304 I CB -1.114 36.329 38.000 -0.928 0.000 1.071 304 I HN 0.362 nan 8.210 nan 0.000 0.419 305 R N 0.157 120.519 120.500 -0.230 0.000 2.275 305 R HA -0.020 4.320 4.340 -0.000 0.000 0.199 305 R C 0.402 176.663 176.300 -0.065 0.000 0.989 305 R CA 0.171 56.217 56.100 -0.090 0.000 1.016 305 R CB -0.024 30.255 30.300 -0.035 0.000 0.918 305 R HN 0.228 nan 8.270 nan 0.000 0.473 306 D N 0.710 121.034 120.400 -0.126 0.000 2.317 306 D HA 0.115 4.755 4.640 -0.000 0.000 0.234 306 D C -1.896 174.323 176.300 -0.135 0.000 1.112 306 D CA -2.570 51.387 54.000 -0.071 0.000 0.840 306 D CB 1.920 42.721 40.800 0.000 0.000 1.078 306 D HN -0.197 nan 8.370 nan 0.000 0.486 307 P HA -0.137 nan 4.420 nan 0.000 0.216 307 P C 1.161 178.425 177.300 -0.059 0.000 1.150 307 P CA 1.120 64.195 63.100 -0.041 0.000 0.837 307 P CB 0.405 32.106 31.700 0.002 0.000 0.786 308 K N -0.776 119.616 120.400 -0.013 0.000 2.103 308 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 308 K C 2.301 178.753 176.600 -0.246 0.000 1.052 308 K CA 1.536 57.843 56.287 0.034 0.000 0.945 308 K CB -1.299 31.359 32.500 0.263 0.000 0.722 308 K HN 0.195 nan 8.250 nan 0.000 0.443 309 G N 1.376 109.731 108.800 -0.742 0.000 2.404 309 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.215 309 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.215 309 G C 1.709 176.167 174.900 -0.738 0.000 1.174 309 G CA 0.497 44.604 45.100 -1.656 0.000 0.780 309 G HN 0.262 nan 8.290 nan 0.000 0.537 310 R N 0.118 120.355 120.500 -0.438 0.000 2.096 310 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 310 R C 2.595 178.859 176.300 -0.059 0.000 1.127 310 R CA 1.741 57.724 56.100 -0.195 0.000 0.968 310 R CB -0.348 29.876 30.300 -0.127 0.000 0.861 310 R HN 0.527 nan 8.270 nan 0.000 0.440 311 Q N -0.264 119.500 119.800 -0.060 0.000 2.096 311 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 311 Q C 2.017 178.071 176.000 0.089 0.000 0.982 311 Q CA 2.111 57.929 55.803 0.025 0.000 0.850 311 Q CB -0.151 28.603 28.738 0.026 0.000 0.901 311 Q HN 0.261 nan 8.270 nan 0.000 0.422 312 S N -0.557 115.180 115.700 0.062 0.000 2.356 312 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 312 S C 1.593 176.363 174.600 0.283 0.000 1.032 312 S CA 1.155 59.492 58.200 0.228 0.000 1.005 312 S CB -0.492 62.892 63.200 0.307 0.000 0.867 312 S HN 0.554 nan 8.310 nan 0.000 0.449 313 F N 2.600 122.420 119.950 -0.217 0.000 2.102 313 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 313 F C 2.425 178.257 175.800 0.053 0.000 1.105 313 F CA 2.142 59.950 58.000 -0.320 0.000 1.239 313 F CB -1.140 37.587 39.000 -0.455 0.000 0.991 313 F HN 0.303 nan 8.300 nan 0.000 0.474 314 Q N -0.352 119.451 119.800 0.006 0.000 2.096 314 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 314 Q C 2.158 178.172 176.000 0.024 0.000 0.982 314 Q CA 2.251 58.027 55.803 -0.046 0.000 0.850 314 Q CB -1.374 27.384 28.738 0.034 0.000 0.901 314 Q HN 0.587 nan 8.270 nan 0.000 0.422 315 Y N 0.074 120.396 120.300 0.036 0.000 2.128 315 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 315 Y C 1.936 177.881 175.900 0.075 0.000 1.154 315 Y CA 2.126 60.266 58.100 0.067 0.000 1.149 315 Y CB -0.705 37.829 38.460 0.123 0.000 0.976 315 Y HN 0.311 nan 8.280 nan 0.000 0.505 316 F N 0.097 120.095 119.950 0.080 0.000 2.102 316 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 316 F C 1.883 177.579 175.800 -0.174 0.000 1.105 316 F CA 1.825 59.837 58.000 0.021 0.000 1.239 316 F CB -0.669 38.534 39.000 0.337 0.000 0.991 316 F HN 0.049 nan 8.300 nan 0.000 0.474 317 L N 0.242 121.233 121.223 -0.386 0.000 2.046 317 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 317 L C 2.521 179.141 176.870 -0.416 0.000 1.077 317 L CA 1.685 56.219 54.840 -0.508 0.000 0.747 317 L CB -0.789 41.008 42.059 -0.437 0.000 0.896 317 L HN 0.101 nan 8.230 nan 0.000 0.432 318 K N 0.260 120.469 120.400 -0.318 0.000 2.063 318 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 318 K C 2.168 178.516 176.600 -0.418 0.000 1.048 318 K CA 1.500 57.627 56.287 -0.266 0.000 0.928 318 K CB -0.106 32.276 32.500 -0.196 0.000 0.713 318 K HN 0.117 nan 8.250 nan 0.000 0.442 319 K N 1.632 121.694 120.400 -0.563 0.000 2.147 319 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 319 K C 1.248 177.322 176.600 -0.878 0.000 1.049 319 K CA 1.628 57.522 56.287 -0.656 0.000 0.936 319 K CB 0.157 32.311 32.500 -0.576 0.000 0.722 319 K HN 0.252 nan 8.250 nan 0.000 0.446 320 E N -0.255 119.469 120.200 -0.792 0.000 2.370 320 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 320 E C -0.664 175.651 176.600 -0.475 0.000 1.057 320 E CA -0.339 55.635 56.400 -0.709 0.000 1.011 320 E CB -0.504 28.864 29.700 -0.554 0.000 1.132 320 E HN 0.266 nan 8.360 nan 0.000 0.450 321 F N -0.431 119.416 119.950 -0.172 0.000 3.093 321 F HA -0.328 4.199 4.527 -0.000 0.000 0.287 321 F C 0.760 176.507 175.800 -0.089 0.000 0.882 321 F CA 0.575 58.511 58.000 -0.107 0.000 1.063 321 F CB -2.125 36.832 39.000 -0.071 0.000 1.097 321 F HN 0.288 nan 8.300 nan 0.000 0.604 322 S N -0.857 114.814 115.700 -0.049 0.000 2.702 322 S HA 0.817 5.287 4.470 -0.000 0.000 0.272 322 S C 1.204 175.774 174.600 -0.050 0.000 1.068 322 S CA 0.413 58.586 58.200 -0.045 0.000 0.964 322 S CB 1.553 64.683 63.200 -0.116 0.000 1.307 322 S HN 1.190 nan 8.310 nan 0.000 0.567 323 G N 0.585 109.350 108.800 -0.058 0.000 2.284 323 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 323 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 323 G C 0.610 175.555 174.900 0.075 0.000 1.009 323 G CA 0.630 45.710 45.100 -0.034 0.000 0.625 323 G HN 0.544 nan 8.290 nan 0.000 0.501 324 E N 1.661 121.931 120.200 0.118 0.000 2.153 324 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 324 E C 2.353 179.082 176.600 0.214 0.000 0.988 324 E CA 1.548 58.091 56.400 0.239 0.000 0.811 324 E CB -0.426 29.412 29.700 0.229 0.000 0.746 324 E HN 0.799 nan 8.360 nan 0.000 0.466 325 N N 1.156 119.925 118.700 0.114 0.000 2.120 325 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 325 N C 1.849 177.483 175.510 0.207 0.000 1.024 325 N CA 0.930 54.055 53.050 0.124 0.000 0.852 325 N CB -0.759 37.770 38.487 0.070 0.000 1.003 325 N HN 0.184 nan 8.380 nan 0.000 0.424 326 L N 0.513 121.834 121.223 0.163 0.000 2.131 326 L HA 0.271 4.611 4.340 -0.000 0.000 0.206 326 L C 2.225 179.234 176.870 0.231 0.000 1.087 326 L CA 1.561 56.528 54.840 0.211 0.000 0.767 326 L CB -1.053 41.080 42.059 0.123 0.000 0.917 326 L HN 0.266 nan 8.230 nan 0.000 0.441 327 G N -0.881 108.034 108.800 0.192 0.000 2.440 327 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.218 327 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.218 327 G C 1.568 176.419 174.900 -0.082 0.000 1.154 327 G CA 0.926 46.148 45.100 0.203 0.000 0.767 327 G HN 0.455 nan 8.290 nan 0.000 0.552 328 F N 0.121 119.712 119.950 -0.598 0.000 2.102 328 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 328 F C 2.297 177.873 175.800 -0.373 0.000 1.105 328 F CA 1.505 58.858 58.000 -1.078 0.000 1.239 328 F CB -0.406 38.105 39.000 -0.814 0.000 0.991 328 F HN 0.276 nan 8.300 nan 0.000 0.474 329 W N 1.775 122.904 121.300 -0.284 0.000 2.355 329 W HA -0.156 4.504 4.660 -0.000 0.000 0.309 329 W C 2.275 178.662 176.519 -0.221 0.000 1.206 329 W CA 2.300 59.507 57.345 -0.229 0.000 1.284 329 W CB -0.423 29.070 29.460 0.055 0.000 1.145 329 W HN 0.111 nan 8.180 nan 0.000 0.502 330 E N 0.013 120.232 120.200 0.032 0.000 2.085 330 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 330 E C 2.319 178.761 176.600 -0.264 0.000 0.994 330 E CA 1.386 57.719 56.400 -0.113 0.000 0.801 330 E CB -0.615 29.149 29.700 0.106 0.000 0.743 330 E HN 0.355 nan 8.360 nan 0.000 0.453 331 A N 0.909 123.567 122.820 -0.271 0.000 1.902 331 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 331 A C 2.454 179.814 177.584 -0.373 0.000 1.181 331 A CA 1.345 53.235 52.037 -0.245 0.000 0.623 331 A CB -0.869 18.029 19.000 -0.169 0.000 0.818 331 A HN 0.373 nan 8.150 nan 0.000 0.443 332 C N -0.598 118.336 119.300 -0.610 0.000 2.425 332 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 332 C C 2.661 177.330 174.990 -0.535 0.000 1.280 332 C CA 0.962 59.617 59.018 -0.606 0.000 1.744 332 C CB -1.074 26.206 27.740 -0.767 0.000 1.989 332 C HN 0.579 nan 8.230 nan 0.000 0.491 333 E N 0.949 120.768 120.200 -0.635 0.000 2.051 333 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 333 E C 1.656 178.117 176.600 -0.232 0.000 0.991 333 E CA 1.663 57.772 56.400 -0.485 0.000 0.799 333 E CB -0.592 28.718 29.700 -0.649 0.000 0.748 333 E HN 0.685 nan 8.360 nan 0.000 0.449 334 D N 0.297 120.566 120.400 -0.218 0.000 2.117 334 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 334 D C 2.100 178.316 176.300 -0.141 0.000 0.987 334 D CA 0.601 54.527 54.000 -0.123 0.000 0.829 334 D CB -0.051 40.691 40.800 -0.097 0.000 0.961 334 D HN 0.055 nan 8.370 nan 0.000 0.460 335 L N 0.904 122.006 121.223 -0.202 0.000 1.989 335 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 335 L C 2.150 178.850 176.870 -0.284 0.000 1.071 335 L CA 1.940 56.652 54.840 -0.213 0.000 0.749 335 L CB -0.638 41.284 42.059 -0.229 0.000 0.890 335 L HN -0.056 nan 8.230 nan 0.000 0.431 336 K N -1.853 118.304 120.400 -0.405 0.000 2.148 336 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 336 K C 1.329 177.514 176.600 -0.690 0.000 1.050 336 K CA 1.722 57.626 56.287 -0.637 0.000 0.942 336 K CB -0.187 31.829 32.500 -0.806 0.000 0.724 336 K HN 0.512 nan 8.250 nan 0.000 0.446 337 Y N -0.500 119.687 120.300 -0.187 0.000 2.467 337 Y HA 0.289 4.839 4.550 -0.000 0.000 0.250 337 Y C 1.062 176.894 175.900 -0.114 0.000 1.155 337 Y CA -0.654 57.363 58.100 -0.138 0.000 1.249 337 Y CB 0.971 39.359 38.460 -0.120 0.000 1.146 337 Y HN 0.048 nan 8.280 nan 0.000 0.524 338 G N -0.400 108.382 108.800 -0.030 0.000 2.543 338 G HA2 0.109 4.069 3.960 -0.000 0.000 0.290 338 G HA3 0.109 4.069 3.960 -0.000 0.000 0.290 338 G C -0.771 174.104 174.900 -0.041 0.000 1.310 338 G CA -0.602 44.480 45.100 -0.031 0.000 1.025 338 G HN -0.044 nan 8.290 nan 0.000 0.502 339 D N -0.400 119.981 120.400 -0.033 0.000 2.488 339 D HA -0.013 4.627 4.640 -0.000 0.000 0.238 339 D C 1.342 177.616 176.300 -0.044 0.000 1.138 339 D CA 0.211 54.193 54.000 -0.031 0.000 0.873 339 D CB 1.436 42.223 40.800 -0.022 0.000 1.183 339 D HN 0.547 nan 8.370 nan 0.000 0.458 340 Q N 1.806 121.582 119.800 -0.040 0.000 2.170 340 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 340 Q C 1.570 177.552 176.000 -0.032 0.000 0.976 340 Q CA 1.621 57.398 55.803 -0.043 0.000 0.858 340 Q CB 0.116 28.836 28.738 -0.030 0.000 0.907 340 Q HN 0.541 nan 8.270 nan 0.000 0.433 341 S N -0.327 115.359 115.700 -0.023 0.000 2.447 341 S HA -0.047 4.423 4.470 -0.000 0.000 0.233 341 S C 1.444 176.033 174.600 -0.018 0.000 1.006 341 S CA 0.647 58.838 58.200 -0.016 0.000 0.957 341 S CB 0.055 63.248 63.200 -0.011 0.000 0.773 341 S HN 0.238 nan 8.310 nan 0.000 0.507 342 K N 0.897 121.281 120.400 -0.026 0.000 2.374 342 K HA 0.347 4.667 4.320 -0.000 0.000 0.196 342 K C 1.737 178.315 176.600 -0.037 0.000 1.023 342 K CA 0.175 56.446 56.287 -0.027 0.000 1.103 342 K CB -0.147 32.337 32.500 -0.027 0.000 0.848 342 K HN 0.326 nan 8.250 nan 0.000 0.528 343 V N 1.803 121.688 119.914 -0.048 0.000 2.295 343 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 343 V C 2.585 178.649 176.094 -0.050 0.000 1.049 343 V CA 1.814 64.073 62.300 -0.068 0.000 1.024 343 V CB -0.344 31.430 31.823 -0.081 0.000 0.648 343 V HN 0.344 nan 8.190 nan 0.000 0.447 344 K N 0.443 120.826 120.400 -0.028 0.000 2.002 344 K HA -0.255 4.065 4.320 -0.000 0.000 0.209 344 K C 2.286 178.879 176.600 -0.011 0.000 1.048 344 K CA 2.108 58.385 56.287 -0.017 0.000 0.930 344 K CB -0.253 32.244 32.500 -0.004 0.000 0.714 344 K HN 0.765 nan 8.250 nan 0.000 0.438 345 E N 0.639 120.835 120.200 -0.007 0.000 2.077 345 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 345 E C 1.844 178.450 176.600 0.011 0.000 0.989 345 E CA 1.179 57.582 56.400 0.004 0.000 0.800 345 E CB -0.149 29.553 29.700 0.003 0.000 0.746 345 E HN 0.262 nan 8.360 nan 0.000 0.452 346 K N 0.673 121.071 120.400 -0.003 0.000 2.057 346 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 346 K C 2.340 178.950 176.600 0.017 0.000 1.050 346 K CA 1.175 57.463 56.287 0.001 0.000 0.935 346 K CB -0.179 32.302 32.500 -0.031 0.000 0.715 346 K HN 0.218 nan 8.250 nan 0.000 0.439 347 A N 1.706 124.522 122.820 -0.006 0.000 1.898 347 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 347 A C 1.880 179.509 177.584 0.074 0.000 1.181 347 A CA 1.438 53.477 52.037 0.004 0.000 0.620 347 A CB -0.348 18.621 19.000 -0.051 0.000 0.819 347 A HN 0.292 nan 8.150 nan 0.000 0.442 348 E N -0.684 119.550 120.200 0.056 0.000 2.106 348 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 348 E C 2.021 178.713 176.600 0.152 0.000 0.984 348 E CA 0.951 57.404 56.400 0.088 0.000 0.806 348 E CB -0.110 29.614 29.700 0.040 0.000 0.750 348 E HN 0.545 nan 8.360 nan 0.000 0.458 349 E N 0.974 121.243 120.200 0.114 0.000 2.072 349 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 349 E C 2.097 178.798 176.600 0.168 0.000 0.985 349 E CA 0.600 57.068 56.400 0.113 0.000 0.801 349 E CB -0.025 29.720 29.700 0.074 0.000 0.750 349 E HN 0.273 nan 8.360 nan 0.000 0.452 350 I N 0.278 120.980 120.570 0.220 0.000 2.163 350 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 350 I C 2.483 178.858 176.117 0.431 0.000 1.085 350 I CA 1.345 62.873 61.300 0.381 0.000 1.347 350 I CB -0.474 37.698 38.000 0.286 0.000 1.044 350 I HN 0.142 nan 8.210 nan 0.000 0.408 351 Y N 2.104 122.536 120.300 0.219 0.000 2.097 351 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 351 Y C 2.469 178.455 175.900 0.143 0.000 1.152 351 Y CA 1.801 60.007 58.100 0.176 0.000 1.136 351 Y CB -0.235 38.287 38.460 0.104 0.000 0.975 351 Y HN -0.013 nan 8.280 nan 0.000 0.498 352 K N -0.138 120.342 120.400 0.135 0.000 2.147 352 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 352 K C 2.137 178.700 176.600 -0.062 0.000 1.049 352 K CA 1.461 57.759 56.287 0.018 0.000 0.936 352 K CB -0.238 32.317 32.500 0.091 0.000 0.722 352 K HN 0.402 nan 8.250 nan 0.000 0.446 353 L N -0.652 120.534 121.223 -0.061 0.000 2.162 353 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 353 L C 1.344 177.972 176.870 -0.403 0.000 1.086 353 L CA 1.288 55.966 54.840 -0.270 0.000 0.778 353 L CB 0.156 41.962 42.059 -0.421 0.000 0.928 353 L HN 0.135 nan 8.230 nan 0.000 0.446 354 F N -1.830 118.110 119.950 -0.016 0.000 2.680 354 F HA 0.126 4.653 4.527 -0.000 0.000 0.290 354 F C 1.828 177.452 175.800 -0.293 0.000 1.114 354 F CA 0.117 58.060 58.000 -0.094 0.000 1.333 354 F CB 0.431 39.438 39.000 0.012 0.000 1.091 354 F HN -0.160 nan 8.300 nan 0.000 0.606 355 L N -0.988 120.131 121.223 -0.174 0.000 2.653 355 L HA 0.450 4.790 4.340 -0.000 0.000 0.230 355 L C 1.177 177.830 176.870 -0.360 0.000 1.055 355 L CA -0.098 54.529 54.840 -0.354 0.000 0.880 355 L CB -0.293 41.589 42.059 -0.294 0.000 1.195 355 L HN -0.083 nan 8.230 nan 0.000 0.492 356 A N 1.250 123.700 122.820 -0.617 0.000 2.466 356 A HA 0.296 4.616 4.320 -0.000 0.000 0.238 356 A C -2.212 175.382 177.584 0.017 0.000 1.074 356 A CA -0.809 50.984 52.037 -0.407 0.000 0.774 356 A CB -0.705 18.082 19.000 -0.355 0.000 1.015 356 A HN -0.047 nan 8.150 nan 0.000 0.498 357 P HA 0.213 nan 4.420 nan 0.000 0.262 357 P C 0.997 178.269 177.300 -0.046 0.000 1.182 357 P CA 1.958 65.058 63.100 -0.000 0.000 0.761 357 P CB 0.456 32.153 31.700 -0.005 0.000 0.795 358 G N 2.164 110.884 108.800 -0.132 0.000 2.179 358 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 358 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 358 G C 0.478 175.355 174.900 -0.038 0.000 0.977 358 G CA -0.035 45.000 45.100 -0.108 0.000 0.641 358 G HN 0.857 nan 8.290 nan 0.000 0.533 359 A N 0.390 123.233 122.820 0.038 0.000 2.567 359 A HA 0.476 4.796 4.320 -0.000 0.000 0.240 359 A C 1.548 179.153 177.584 0.034 0.000 1.053 359 A CA 1.345 53.404 52.037 0.037 0.000 0.755 359 A CB 0.059 19.102 19.000 0.072 0.000 0.978 359 A HN 0.560 nan 8.150 nan 0.000 0.507 360 R N 1.433 121.908 120.500 -0.041 0.000 2.103 360 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 360 R C 0.609 176.888 176.300 -0.034 0.000 1.142 360 R CA 1.786 57.857 56.100 -0.048 0.000 0.960 360 R CB -0.064 30.187 30.300 -0.082 0.000 0.858 360 R HN 0.793 nan 8.270 nan 0.000 0.439 361 R N -0.539 119.893 120.500 -0.113 0.000 3.039 361 R HA 0.032 4.372 4.340 -0.000 0.000 0.336 361 R C -0.924 175.422 176.300 0.076 0.000 1.258 361 R CA -0.562 55.489 56.100 -0.081 0.000 1.125 361 R CB -0.029 30.053 30.300 -0.363 0.000 1.427 361 R HN 0.133 nan 8.270 nan 0.000 0.588 362 W N 2.856 124.125 121.300 -0.051 0.000 2.343 362 W HA 0.033 4.693 4.660 -0.000 0.000 0.337 362 W C 0.008 176.533 176.519 0.011 0.000 1.320 362 W CA 0.162 57.487 57.345 -0.032 0.000 1.290 362 W CB 0.360 29.786 29.460 -0.057 0.000 1.206 362 W HN 0.239 nan 8.180 nan 0.000 0.565 363 I N 3.402 123.413 120.570 -0.932 0.000 2.934 363 I HA 0.485 4.655 4.170 -0.000 0.000 0.306 363 I C -0.773 174.341 176.117 -1.671 0.000 1.110 363 I CA -1.393 59.287 61.300 -1.034 0.000 1.019 363 I CB 2.054 39.750 38.000 -0.507 0.000 1.227 363 I HN 0.454 nan 8.210 nan 0.000 0.434 364 N N 3.605 121.620 118.700 -1.143 0.000 2.479 364 N HA 0.677 5.417 4.740 -0.000 0.000 0.285 364 N C -0.952 174.373 175.510 -0.307 0.000 1.075 364 N CA -0.555 52.089 53.050 -0.678 0.000 0.967 364 N CB 1.015 39.380 38.487 -0.205 0.000 1.137 364 N HN 0.721 nan 8.380 nan 0.000 0.472 365 I N -1.116 119.323 120.570 -0.219 0.000 2.828 365 I HA 0.574 4.744 4.170 -0.000 0.000 0.302 365 I C -0.707 175.311 176.117 -0.164 0.000 1.101 365 I CA -1.290 59.904 61.300 -0.178 0.000 1.031 365 I CB 1.862 39.712 38.000 -0.249 0.000 1.231 365 I HN 0.430 nan 8.210 nan 0.000 0.427 366 D N 3.299 123.524 120.400 -0.291 0.000 2.360 366 D HA 0.187 4.827 4.640 -0.000 0.000 0.242 366 D C 1.336 177.578 176.300 -0.098 0.000 1.184 366 D CA 0.018 53.945 54.000 -0.122 0.000 0.930 366 D CB 0.952 41.719 40.800 -0.054 0.000 1.161 366 D HN 0.786 nan 8.370 nan 0.000 0.447 367 G N 0.089 108.873 108.800 -0.026 0.000 2.476 367 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.218 367 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.218 367 G C 1.313 176.204 174.900 -0.015 0.000 1.164 367 G CA 1.139 46.236 45.100 -0.005 0.000 0.768 367 G HN 0.629 nan 8.290 nan 0.000 0.560 368 K N -0.261 120.126 120.400 -0.023 0.000 2.032 368 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 368 K C 2.609 179.193 176.600 -0.027 0.000 1.048 368 K CA 1.806 58.085 56.287 -0.014 0.000 0.927 368 K CB -0.327 32.171 32.500 -0.003 0.000 0.712 368 K HN 0.321 nan 8.250 nan 0.000 0.441 369 T N 1.146 115.650 114.554 -0.084 0.000 2.821 369 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 369 T C 1.630 176.306 174.700 -0.039 0.000 1.046 369 T CA 1.404 63.450 62.100 -0.090 0.000 1.139 369 T CB -0.142 68.573 68.868 -0.254 0.000 0.871 369 T HN 0.230 nan 8.240 nan 0.000 0.454 370 M N 2.035 121.612 119.600 -0.040 0.000 2.117 370 M HA -0.051 4.428 4.480 -0.000 0.000 0.262 370 M C 1.742 178.066 176.300 0.039 0.000 1.065 370 M CA 1.623 56.936 55.300 0.022 0.000 1.114 370 M CB -0.594 32.027 32.600 0.035 0.000 1.361 370 M HN 0.129 nan 8.290 nan 0.000 0.408 371 D N -0.384 120.030 120.400 0.023 0.000 2.084 371 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 371 D C 1.815 178.130 176.300 0.025 0.000 0.990 371 D CA 2.042 56.056 54.000 0.024 0.000 0.826 371 D CB -0.226 40.586 40.800 0.019 0.000 0.971 371 D HN 0.531 nan 8.370 nan 0.000 0.453 372 I N 0.129 120.715 120.570 0.026 0.000 2.194 372 I HA -0.297 3.873 4.170 -0.000 0.000 0.246 372 I C 2.345 178.488 176.117 0.043 0.000 1.093 372 I CA 1.461 62.783 61.300 0.038 0.000 1.355 372 I CB -0.510 37.515 38.000 0.040 0.000 1.046 372 I HN 0.129 nan 8.210 nan 0.000 0.413 373 T N 0.472 115.053 114.554 0.045 0.000 2.701 373 T HA -0.145 4.205 4.350 -0.000 0.000 0.263 373 T C 2.010 176.713 174.700 0.004 0.000 1.040 373 T CA 1.775 63.906 62.100 0.051 0.000 1.147 373 T CB -0.533 68.397 68.868 0.103 0.000 0.865 373 T HN 0.380 nan 8.240 nan 0.000 0.426 374 V N 0.493 120.402 119.914 -0.008 0.000 2.427 374 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 374 V C 2.186 178.238 176.094 -0.069 0.000 1.051 374 V CA 1.420 63.668 62.300 -0.087 0.000 1.048 374 V CB -0.762 31.028 31.823 -0.054 0.000 0.666 374 V HN 0.328 nan 8.190 nan 0.000 0.456 375 K N 1.110 121.501 120.400 -0.015 0.000 2.097 375 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 375 K C 2.298 178.917 176.600 0.031 0.000 1.049 375 K CA 1.508 57.799 56.287 0.007 0.000 0.933 375 K CB -0.740 31.778 32.500 0.030 0.000 0.717 375 K HN 0.637 nan 8.250 nan 0.000 0.442 376 G N 1.179 110.005 108.800 0.044 0.000 2.408 376 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 376 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 376 G C 1.351 176.274 174.900 0.038 0.000 1.150 376 G CA 0.379 45.535 45.100 0.092 0.000 0.776 376 G HN 0.132 nan 8.290 nan 0.000 0.542 377 L N 0.087 121.277 121.223 -0.055 0.000 2.549 377 L HA 0.064 4.404 4.340 -0.000 0.000 0.229 377 L C 2.900 179.683 176.870 -0.146 0.000 1.158 377 L CA 0.082 54.854 54.840 -0.113 0.000 0.842 377 L CB -0.149 41.787 42.059 -0.204 0.000 0.952 377 L HN 0.178 nan 8.230 nan 0.000 0.452 378 R N -0.614 119.787 120.500 -0.165 0.000 2.127 378 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 378 R C 0.158 176.067 176.300 -0.652 0.000 1.134 378 R CA 0.906 56.783 56.100 -0.371 0.000 0.975 378 R CB -0.094 29.998 30.300 -0.346 0.000 0.865 378 R HN 0.434 nan 8.270 nan 0.000 0.447 379 H N -0.495 118.595 119.070 0.033 0.000 2.651 379 H HA 0.272 4.828 4.556 -0.000 0.000 0.252 379 H C -2.513 172.885 175.328 0.117 0.000 1.365 379 H CA -2.401 53.682 56.048 0.058 0.000 1.539 379 H CB 1.087 30.883 29.762 0.056 0.000 1.621 379 H HN -0.014 nan 8.280 nan 0.000 0.526 380 P HA 0.061 nan 4.420 nan 0.000 0.268 380 P C -0.144 177.215 177.300 0.099 0.000 1.205 380 P CA 0.400 63.517 63.100 0.029 0.000 0.771 380 P CB 0.600 32.284 31.700 -0.027 0.000 0.858 381 H N -0.918 118.148 119.070 -0.007 0.000 2.966 381 H HA 0.472 5.028 4.556 -0.000 0.000 0.330 381 H C 0.994 176.253 175.328 -0.114 0.000 1.292 381 H CA -1.221 54.806 56.048 -0.035 0.000 1.127 381 H CB 0.847 30.621 29.762 0.019 0.000 1.863 381 H HN 0.228 nan 8.280 nan 0.000 0.543 382 R N -0.299 120.105 120.500 -0.161 0.000 2.193 382 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 382 R C -0.139 175.828 176.300 -0.555 0.000 1.110 382 R CA 1.644 57.486 56.100 -0.431 0.000 0.988 382 R CB -0.415 29.541 30.300 -0.573 0.000 0.871 382 R HN 0.635 nan 8.270 nan 0.000 0.458 383 Y N -0.170 120.083 120.300 -0.077 0.000 2.485 383 Y HA 0.168 4.718 4.550 -0.000 0.000 0.260 383 Y C 1.912 177.672 175.900 -0.233 0.000 1.173 383 Y CA -0.391 57.657 58.100 -0.085 0.000 1.252 383 Y CB 0.728 39.254 38.460 0.110 0.000 1.123 383 Y HN -0.106 nan 8.280 nan 0.000 0.524 384 V N 0.566 120.161 119.914 -0.532 0.000 2.594 384 V HA -0.220 3.900 4.120 -0.000 0.000 0.253 384 V C 1.335 177.347 176.094 -0.137 0.000 1.069 384 V CA 1.903 63.910 62.300 -0.490 0.000 1.082 384 V CB -0.164 31.316 31.823 -0.572 0.000 0.680 384 V HN 0.524 nan 8.190 nan 0.000 0.469 385 L N -0.630 120.527 121.223 -0.110 0.000 2.667 385 L HA 0.195 4.535 4.340 -0.000 0.000 0.232 385 L C 1.768 178.642 176.870 0.006 0.000 1.138 385 L CA 0.001 54.829 54.840 -0.021 0.000 0.921 385 L CB -0.212 41.802 42.059 -0.074 0.000 1.180 385 L HN 0.229 nan 8.230 nan 0.000 0.487 386 D N 1.497 121.907 120.400 0.016 0.000 2.106 386 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 386 D C 2.189 178.542 176.300 0.089 0.000 0.997 386 D CA 1.746 55.775 54.000 0.048 0.000 0.834 386 D CB 0.271 41.124 40.800 0.090 0.000 0.956 386 D HN 0.314 nan 8.370 nan 0.000 0.448 387 A N 0.743 123.624 122.820 0.100 0.000 1.883 387 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 387 A C 2.327 180.018 177.584 0.178 0.000 1.186 387 A CA 2.670 54.779 52.037 0.120 0.000 0.624 387 A CB -0.872 18.181 19.000 0.090 0.000 0.822 387 A HN 0.269 nan 8.150 nan 0.000 0.444 388 A N -1.021 121.919 122.820 0.199 0.000 1.902 388 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 388 A C 2.218 180.082 177.584 0.467 0.000 1.181 388 A CA 1.802 54.023 52.037 0.307 0.000 0.623 388 A CB -0.610 18.615 19.000 0.375 0.000 0.818 388 A HN 0.672 nan 8.150 nan 0.000 0.443 389 Q N -0.773 119.227 119.800 0.334 0.000 2.061 389 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 389 Q C 2.089 178.325 176.000 0.393 0.000 0.984 389 Q CA 2.261 58.231 55.803 0.279 0.000 0.846 389 Q CB -0.336 28.391 28.738 -0.020 0.000 0.902 389 Q HN 0.590 nan 8.270 nan 0.000 0.421 390 T N -0.315 114.410 114.554 0.286 0.000 2.684 390 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 390 T C 1.455 176.345 174.700 0.316 0.000 1.036 390 T CA 1.705 63.971 62.100 0.277 0.000 1.148 390 T CB -0.535 68.442 68.868 0.182 0.000 0.863 390 T HN 0.515 nan 8.240 nan 0.000 0.436 391 H N 0.945 120.139 119.070 0.206 0.000 2.265 391 H HA -0.063 4.493 4.556 -0.000 0.000 0.295 391 H C 2.042 177.476 175.328 0.177 0.000 1.084 391 H CA 1.701 57.845 56.048 0.161 0.000 1.261 391 H CB -0.343 29.489 29.762 0.117 0.000 1.360 391 H HN 0.164 nan 8.280 nan 0.000 0.487 392 I N -0.071 120.666 120.570 0.278 0.000 2.315 392 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 392 I C 2.141 178.378 176.117 0.201 0.000 1.117 392 I CA 1.266 62.692 61.300 0.210 0.000 1.404 392 I CB -1.345 36.878 38.000 0.371 0.000 1.071 392 I HN 0.386 nan 8.210 nan 0.000 0.419 393 Y N 1.460 121.878 120.300 0.197 0.000 2.097 393 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 393 Y C 2.733 178.665 175.900 0.054 0.000 1.152 393 Y CA 1.870 60.046 58.100 0.128 0.000 1.136 393 Y CB -0.082 38.490 38.460 0.185 0.000 0.975 393 Y HN -0.022 nan 8.280 nan 0.000 0.498 394 M N -0.572 119.145 119.600 0.194 0.000 2.213 394 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 394 M C 2.093 178.319 176.300 -0.123 0.000 1.062 394 M CA 1.058 56.385 55.300 0.044 0.000 1.105 394 M CB -1.135 31.523 32.600 0.096 0.000 1.385 394 M HN 0.353 nan 8.290 nan 0.000 0.417 395 L N -0.166 120.966 121.223 -0.153 0.000 2.017 395 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 395 L C 2.396 179.158 176.870 -0.179 0.000 1.073 395 L CA 1.746 56.483 54.840 -0.172 0.000 0.745 395 L CB -0.994 40.950 42.059 -0.193 0.000 0.894 395 L HN 0.361 nan 8.230 nan 0.000 0.432 396 M N -0.738 118.736 119.600 -0.209 0.000 2.117 396 M HA -0.274 4.206 4.480 -0.000 0.000 0.262 396 M C 2.245 178.109 176.300 -0.726 0.000 1.065 396 M CA 1.638 56.767 55.300 -0.285 0.000 1.114 396 M CB -0.437 32.082 32.600 -0.134 0.000 1.361 396 M HN 0.152 nan 8.290 nan 0.000 0.408 397 K N 1.399 121.187 120.400 -1.020 0.000 2.044 397 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 397 K C 1.915 178.264 176.600 -0.418 0.000 1.049 397 K CA 2.040 57.691 56.287 -1.059 0.000 0.927 397 K CB -0.047 32.099 32.500 -0.590 0.000 0.713 397 K HN 0.414 nan 8.250 nan 0.000 0.443 398 K N -1.305 118.945 120.400 -0.249 0.000 2.314 398 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 398 K C 0.744 177.294 176.600 -0.083 0.000 1.045 398 K CA 1.146 57.364 56.287 -0.115 0.000 0.988 398 K CB 0.366 32.823 32.500 -0.072 0.000 0.783 398 K HN 0.055 nan 8.250 nan 0.000 0.484 399 D N 0.807 121.152 120.400 -0.091 0.000 3.094 399 D HA 0.066 4.706 4.640 -0.000 0.000 0.267 399 D C 1.915 178.236 176.300 0.035 0.000 1.542 399 D CA 0.651 54.637 54.000 -0.024 0.000 1.157 399 D CB -0.274 40.519 40.800 -0.011 0.000 1.098 399 D HN 0.034 nan 8.370 nan 0.000 0.340 400 S N 0.700 116.454 115.700 0.090 0.000 2.365 400 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 400 S C 1.934 176.759 174.600 0.376 0.000 1.039 400 S CA 1.160 59.553 58.200 0.321 0.000 1.033 400 S CB -0.526 62.911 63.200 0.396 0.000 0.887 400 S HN 0.295 nan 8.310 nan 0.000 0.447 401 Y N 2.595 122.846 120.300 -0.082 0.000 2.097 401 Y HA -0.151 4.399 4.550 -0.000 0.000 0.282 401 Y C 2.496 178.317 175.900 -0.131 0.000 1.152 401 Y CA 0.941 58.871 58.100 -0.283 0.000 1.136 401 Y CB -1.102 36.915 38.460 -0.738 0.000 0.975 401 Y HN 0.190 nan 8.280 nan 0.000 0.498 402 A N 0.643 123.312 122.820 -0.251 0.000 1.908 402 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 402 A C 2.354 179.804 177.584 -0.223 0.000 1.181 402 A CA 1.926 53.779 52.037 -0.305 0.000 0.627 402 A CB -0.627 18.281 19.000 -0.153 0.000 0.818 402 A HN 0.556 nan 8.150 nan 0.000 0.445 403 R N -2.340 118.108 120.500 -0.087 0.000 2.115 403 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 403 R C 2.135 178.290 176.300 -0.242 0.000 1.100 403 R CA 1.393 57.475 56.100 -0.029 0.000 0.980 403 R CB -0.482 29.930 30.300 0.187 0.000 0.875 403 R HN 0.723 nan 8.270 nan 0.000 0.445 404 Y N 1.777 121.721 120.300 -0.593 0.000 2.128 404 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 404 Y C 1.876 177.456 175.900 -0.533 0.000 1.154 404 Y CA 1.468 58.971 58.100 -0.995 0.000 1.149 404 Y CB -0.329 37.788 38.460 -0.572 0.000 0.976 404 Y HN -0.068 nan 8.280 nan 0.000 0.505 405 L N 0.102 120.954 121.223 -0.618 0.000 2.191 405 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 405 L C 1.941 178.572 176.870 -0.398 0.000 1.103 405 L CA 1.626 56.014 54.840 -0.753 0.000 0.769 405 L CB -0.428 41.205 42.059 -0.711 0.000 0.908 405 L HN 0.187 nan 8.230 nan 0.000 0.438 406 K N -0.420 119.807 120.400 -0.290 0.000 2.404 406 K HA 0.048 4.368 4.320 -0.000 0.000 0.194 406 K C 0.863 177.405 176.600 -0.097 0.000 1.023 406 K CA -0.093 56.109 56.287 -0.142 0.000 1.094 406 K CB 0.317 32.756 32.500 -0.101 0.000 0.841 406 K HN 0.266 nan 8.250 nan 0.000 0.523 407 S N 0.283 115.884 115.700 -0.165 0.000 2.632 407 S HA 0.219 4.689 4.470 -0.000 0.000 0.271 407 S C -2.068 172.522 174.600 -0.017 0.000 1.260 407 S CA -1.339 56.827 58.200 -0.056 0.000 1.010 407 S CB 1.270 64.434 63.200 -0.060 0.000 0.965 407 S HN -0.200 nan 8.310 nan 0.000 0.534 408 P HA -0.005 nan 4.420 nan 0.000 0.220 408 P C 1.216 178.550 177.300 0.056 0.000 1.148 408 P CA 0.821 63.947 63.100 0.042 0.000 0.803 408 P CB -0.106 31.631 31.700 0.063 0.000 0.782 409 I N -2.066 118.573 120.570 0.114 0.000 2.142 409 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 409 I C 2.415 178.581 176.117 0.081 0.000 1.078 409 I CA 1.605 63.013 61.300 0.180 0.000 1.343 409 I CB -0.699 37.539 38.000 0.396 0.000 1.046 409 I HN -0.076 nan 8.210 nan 0.000 0.405 410 Y N 2.137 122.272 120.300 -0.275 0.000 2.181 410 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 410 Y C 2.486 178.301 175.900 -0.141 0.000 1.146 410 Y CA 1.535 59.441 58.100 -0.323 0.000 1.164 410 Y CB -0.116 37.906 38.460 -0.730 0.000 0.982 410 Y HN -0.032 nan 8.280 nan 0.000 0.515 411 K N 0.147 120.460 120.400 -0.144 0.000 2.063 411 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 411 K C 1.811 178.306 176.600 -0.175 0.000 1.048 411 K CA 1.694 57.879 56.287 -0.170 0.000 0.928 411 K CB -0.372 32.089 32.500 -0.065 0.000 0.713 411 K HN 0.330 nan 8.250 nan 0.000 0.442 412 E N 0.459 120.597 120.200 -0.103 0.000 2.106 412 E HA -0.052 4.297 4.350 -0.000 0.000 0.192 412 E C 1.986 178.523 176.600 -0.104 0.000 0.984 412 E CA 0.810 57.165 56.400 -0.074 0.000 0.806 412 E CB -0.159 29.532 29.700 -0.015 0.000 0.750 412 E HN 0.128 nan 8.360 nan 0.000 0.458 413 M N -0.174 119.353 119.600 -0.121 0.000 2.065 413 M HA -0.147 4.333 4.480 -0.000 0.000 0.259 413 M C 2.333 178.471 176.300 -0.269 0.000 1.069 413 M CA 1.372 56.589 55.300 -0.139 0.000 1.110 413 M CB -1.081 31.491 32.600 -0.046 0.000 1.328 413 M HN 0.166 nan 8.290 nan 0.000 0.405 414 L N -0.351 120.615 121.223 -0.427 0.000 2.012 414 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 414 L C 2.642 179.370 176.870 -0.236 0.000 1.073 414 L CA 1.434 56.035 54.840 -0.399 0.000 0.748 414 L CB -0.748 41.035 42.059 -0.460 0.000 0.891 414 L HN 0.308 nan 8.230 nan 0.000 0.431 415 A N 0.800 123.509 122.820 -0.185 0.000 1.933 415 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 415 A C 2.146 179.670 177.584 -0.101 0.000 1.175 415 A CA 1.957 53.921 52.037 -0.121 0.000 0.628 415 A CB -0.359 18.585 19.000 -0.093 0.000 0.814 415 A HN 0.564 nan 8.150 nan 0.000 0.444 416 K N -0.553 119.787 120.400 -0.101 0.000 2.404 416 K HA 0.528 4.848 4.320 -0.000 0.000 0.194 416 K C 0.614 177.162 176.600 -0.086 0.000 1.023 416 K CA 0.463 56.703 56.287 -0.078 0.000 1.094 416 K CB -0.164 32.301 32.500 -0.059 0.000 0.841 416 K HN 0.257 nan 8.250 nan 0.000 0.523 417 A N 1.902 124.650 122.820 -0.121 0.000 2.498 417 A HA 0.238 4.558 4.320 -0.000 0.000 0.239 417 A C 0.148 177.672 177.584 -0.100 0.000 1.068 417 A CA -0.506 51.451 52.037 -0.133 0.000 0.766 417 A CB -0.021 18.859 19.000 -0.201 0.000 1.003 417 A HN 0.285 nan 8.150 nan 0.000 0.497 418 I N 1.723 122.241 120.570 -0.086 0.000 2.533 418 I HA 0.085 4.255 4.170 -0.000 0.000 0.284 418 I C 0.463 176.545 176.117 -0.059 0.000 1.109 418 I CA 0.583 61.846 61.300 -0.061 0.000 1.412 418 I CB -0.072 37.900 38.000 -0.048 0.000 1.396 418 I HN 0.664 nan 8.210 nan 0.000 0.543 419 E N 7.644 127.816 120.200 -0.046 0.000 2.121 419 E HA 0.332 4.682 4.350 -0.000 0.000 0.255 419 E C -2.282 174.306 176.600 -0.020 0.000 0.906 419 E CA -1.677 54.702 56.400 -0.035 0.000 0.745 419 E CB 0.766 30.443 29.700 -0.038 0.000 1.155 419 E HN 0.375 nan 8.360 nan 0.000 0.424 420 P HA -0.067 nan 4.420 nan 0.000 0.271 420 P C -0.583 176.717 177.300 -0.001 0.000 1.216 420 P CA 0.031 63.133 63.100 0.002 0.000 0.771 420 P CB 0.542 32.258 31.700 0.027 0.000 0.864 421 Q N 0.000 119.796 119.800 -0.006 0.000 2.315 421 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 421 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 421 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 421 Q HN 0.000 nan 8.270 nan 0.000 0.481