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 1go7_1_P DATA FIRST_RESID 18 DATA SEQUENCE ANTSSAYNSV YDFLRYHDRG DGLTVNGKTS YSIDQAAAQI TRENVSWNGT DATA SEQUENCE NVFGKSANLT FKFLQSVSSI PSGDTGFVKF NAEQIEQAKL SLQSWSDVAN DATA SEQUENCE LTFTEVTGNK SANITFGNYT RDASGNLDYG TQAYAYYPGN YQGAGSSWYN DATA SEQUENCE YNQSNIRNPG SEEYGRQTFT HKIGHALGLA HPGEYNAGEG DPSYNDAVYA DATA SEQUENCE EDSYQFSICS YWGENETGAD YNGHYGGAPM IDDIAAIQRL YGANMTTRTG DATA SEQUENCE DSVYGFNSNT DRDFYTATDS SKALIFSVWD AGGTDTFDFS GYSNNQRINL DATA SEQUENCE NEGSFSDVGG LKGNVSIAHG VTIENAIGGS GNDILVGNSA DNILQGGAGN DATA SEQUENCE DVLYGGAGAD TLYGGAGRDT FVYGSGQDST VAAYDWIADF QKGIDKIDLS DATA SEQUENCE AFRNEGQLSF VQDQFTGKGQ EVMLQWDAAN SITNLWLHEA GHSSVDFLVR DATA SEQUENCE IVGQAAQSDI IV 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.564 177.584 -0.033 0.000 1.274 18 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 18 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 19 N N 2.831 121.520 118.700 -0.019 0.000 2.406 19 N HA 0.175 4.915 4.740 -0.000 0.000 0.269 19 N C 0.434 175.942 175.510 -0.003 0.000 1.210 19 N CA 1.107 54.152 53.050 -0.008 0.000 0.966 19 N CB 0.723 39.211 38.487 0.002 0.000 1.293 19 N HN 0.734 nan 8.380 nan 0.000 0.491 20 T N -0.074 114.484 114.554 0.005 0.000 2.902 20 T HA 0.309 4.659 4.350 -0.000 0.000 0.280 20 T C 0.868 175.617 174.700 0.083 0.000 0.992 20 T CA -0.933 61.184 62.100 0.030 0.000 1.015 20 T CB 0.874 69.782 68.868 0.068 0.000 1.044 20 T HN 0.407 nan 8.240 nan 0.000 0.520 21 S N 0.661 116.429 115.700 0.114 0.000 2.584 21 S HA 0.137 4.606 4.470 -0.000 0.000 0.270 21 S C 1.649 176.326 174.600 0.128 0.000 1.346 21 S CA -0.193 58.080 58.200 0.121 0.000 1.018 21 S CB 0.533 63.816 63.200 0.138 0.000 0.899 21 S HN 1.083 nan 8.310 nan 0.000 0.542 22 S N 1.611 117.364 115.700 0.087 0.000 2.423 22 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 22 S C 1.969 176.610 174.600 0.067 0.000 1.014 22 S CA 0.632 58.871 58.200 0.064 0.000 0.965 22 S CB -1.170 62.054 63.200 0.040 0.000 0.785 22 S HN 1.119 nan 8.310 nan 0.000 0.495 23 A N 1.047 123.923 122.820 0.093 0.000 1.877 23 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 23 A C 2.084 179.734 177.584 0.110 0.000 1.186 23 A CA 1.553 53.645 52.037 0.091 0.000 0.620 23 A CB -1.312 17.755 19.000 0.112 0.000 0.822 23 A HN 0.689 nan 8.150 nan 0.000 0.443 24 Y N 1.362 121.695 120.300 0.055 0.000 2.242 24 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 24 Y C 2.090 178.017 175.900 0.044 0.000 1.137 24 Y CA 1.937 60.068 58.100 0.051 0.000 1.181 24 Y CB -0.217 38.277 38.460 0.057 0.000 0.989 24 Y HN 0.316 nan 8.280 nan 0.000 0.527 25 N N -0.094 118.605 118.700 -0.001 0.000 2.188 25 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 25 N C 2.136 177.607 175.510 -0.065 0.000 1.018 25 N CA 1.543 54.548 53.050 -0.074 0.000 0.858 25 N CB -0.691 37.801 38.487 0.008 0.000 0.989 25 N HN 0.543 nan 8.380 nan 0.000 0.426 26 S N 0.037 115.713 115.700 -0.041 0.000 2.419 26 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 26 S C 2.111 176.690 174.600 -0.034 0.000 1.016 26 S CA 0.816 58.996 58.200 -0.032 0.000 0.974 26 S CB -0.582 62.597 63.200 -0.036 0.000 0.786 26 S HN 0.019 nan 8.310 nan 0.000 0.492 27 V N 0.678 120.519 119.914 -0.122 0.000 2.323 27 V HA -0.085 4.035 4.120 -0.000 0.000 0.244 27 V C 2.211 178.158 176.094 -0.246 0.000 1.041 27 V CA 1.891 64.074 62.300 -0.195 0.000 1.025 27 V CB -1.030 30.553 31.823 -0.399 0.000 0.656 27 V HN 0.635 nan 8.190 nan 0.000 0.451 28 Y N 1.366 121.357 120.300 -0.515 0.000 2.165 28 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 28 Y C 2.367 178.152 175.900 -0.191 0.000 1.155 28 Y CA 2.229 60.071 58.100 -0.431 0.000 1.164 28 Y CB -0.208 37.951 38.460 -0.502 0.000 0.978 28 Y HN 0.328 nan 8.280 nan 0.000 0.513 29 D N -0.218 120.231 120.400 0.082 0.000 2.084 29 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 29 D C 1.956 178.293 176.300 0.060 0.000 0.985 29 D CA 1.487 55.538 54.000 0.084 0.000 0.826 29 D CB -0.905 39.951 40.800 0.093 0.000 0.978 29 D HN 0.403 nan 8.370 nan 0.000 0.456 30 F N 1.380 121.274 119.950 -0.094 0.000 2.202 30 F HA -0.096 4.431 4.527 -0.000 0.000 0.301 30 F C 2.010 177.816 175.800 0.010 0.000 1.082 30 F CA 0.797 58.754 58.000 -0.071 0.000 1.313 30 F CB -0.376 38.565 39.000 -0.099 0.000 1.024 30 F HN -0.093 nan 8.300 nan 0.000 0.495 31 L N -0.329 120.773 121.223 -0.201 0.000 2.265 31 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 31 L C 1.940 178.701 176.870 -0.181 0.000 1.117 31 L CA 1.171 55.852 54.840 -0.265 0.000 0.782 31 L CB -0.327 41.571 42.059 -0.269 0.000 0.914 31 L HN 0.034 nan 8.230 nan 0.000 0.441 32 R N -2.075 118.349 120.500 -0.126 0.000 2.432 32 R HA 0.050 4.390 4.340 -0.000 0.000 0.260 32 R C -0.225 176.120 176.300 0.075 0.000 0.935 32 R CA -0.451 55.616 56.100 -0.055 0.000 1.080 32 R CB 0.228 30.459 30.300 -0.114 0.000 1.155 32 R HN 0.003 nan 8.270 nan 0.000 0.531 33 Y N 2.630 122.897 120.300 -0.055 0.000 2.881 33 Y HA -0.217 4.333 4.550 -0.000 0.000 0.335 33 Y C 0.633 176.593 175.900 0.100 0.000 1.263 33 Y CA 0.431 58.534 58.100 0.006 0.000 1.572 33 Y CB -0.209 38.311 38.460 0.100 0.000 1.237 33 Y HN 0.314 nan 8.280 nan 0.000 0.568 34 H N 2.839 121.882 119.070 -0.045 0.000 2.741 34 H HA -0.263 4.293 4.556 -0.000 0.000 0.305 34 H C -0.071 175.294 175.328 0.063 0.000 1.169 34 H CA 0.826 56.830 56.048 -0.073 0.000 1.144 34 H CB -1.061 28.531 29.762 -0.284 0.000 1.397 34 H HN 0.632 nan 8.280 nan 0.000 0.409 35 D N 1.120 121.592 120.400 0.121 0.000 2.478 35 D HA 0.142 4.782 4.640 -0.000 0.000 0.234 35 D C 1.284 177.655 176.300 0.119 0.000 1.154 35 D CA 0.559 54.626 54.000 0.112 0.000 0.874 35 D CB 0.687 41.525 40.800 0.063 0.000 1.198 35 D HN 0.571 nan 8.370 nan 0.000 0.455 36 R N 0.159 120.728 120.500 0.116 0.000 2.764 36 R HA 0.654 4.994 4.340 -0.000 0.000 0.270 36 R C 0.358 176.709 176.300 0.085 0.000 1.014 36 R CA -0.641 55.521 56.100 0.102 0.000 0.904 36 R CB 0.790 31.160 30.300 0.117 0.000 1.236 36 R HN 0.543 nan 8.270 nan 0.000 0.466 37 G N 0.904 109.755 108.800 0.085 0.000 2.562 37 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.250 37 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.250 37 G C -0.654 174.279 174.900 0.054 0.000 1.269 37 G CA 0.401 45.542 45.100 0.068 0.000 0.919 37 G HN 0.943 nan 8.290 nan 0.000 0.574 38 D N -0.505 119.915 120.400 0.033 0.000 2.708 38 D HA 0.020 4.660 4.640 -0.000 0.000 0.236 38 D C 1.715 178.035 176.300 0.033 0.000 1.146 38 D CA 3.094 57.111 54.000 0.028 0.000 0.662 38 D CB -1.504 39.315 40.800 0.031 0.000 1.059 38 D HN 2.446 nan 8.370 nan 0.000 0.428 39 G N -1.037 107.785 108.800 0.036 0.000 2.233 39 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.270 39 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.270 39 G C 0.538 175.463 174.900 0.042 0.000 1.011 39 G CA 0.760 45.883 45.100 0.039 0.000 0.762 39 G HN 0.561 nan 8.290 nan 0.000 0.511 40 L N 0.139 121.390 121.223 0.048 0.000 2.466 40 L HA 0.654 4.993 4.340 -0.000 0.000 0.257 40 L C 1.083 177.980 176.870 0.046 0.000 1.189 40 L CA 0.125 54.992 54.840 0.045 0.000 0.813 40 L CB 0.978 43.066 42.059 0.049 0.000 1.118 40 L HN 0.357 nan 8.230 nan 0.000 0.471 41 T N -1.229 113.346 114.554 0.036 0.000 2.841 41 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 41 T C -0.742 173.973 174.700 0.025 0.000 0.991 41 T CA -0.684 61.432 62.100 0.028 0.000 0.966 41 T CB 1.570 70.449 68.868 0.019 0.000 0.962 41 T HN 0.228 nan 8.240 nan 0.000 0.438 42 V N 3.674 123.603 119.914 0.024 0.000 2.656 42 V HA 0.470 4.590 4.120 -0.000 0.000 0.307 42 V C 0.013 176.126 176.094 0.031 0.000 1.051 42 V CA -1.124 61.194 62.300 0.031 0.000 0.893 42 V CB 1.479 33.328 31.823 0.044 0.000 0.999 42 V HN 1.061 nan 8.190 nan 0.000 0.426 43 N N 3.282 122.004 118.700 0.036 0.000 2.708 43 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 43 N C 1.214 176.727 175.510 0.005 0.000 1.097 43 N CA 1.606 54.683 53.050 0.045 0.000 0.710 43 N CB -1.120 37.447 38.487 0.135 0.000 1.032 43 N HN 1.634 nan 8.380 nan 0.000 0.551 44 G N -1.614 107.183 108.800 -0.005 0.000 2.189 44 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.267 44 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.267 44 G C 0.142 175.017 174.900 -0.042 0.000 0.975 44 G CA 1.217 46.303 45.100 -0.023 0.000 0.644 44 G HN 0.582 nan 8.290 nan 0.000 0.537 45 K N 0.240 120.611 120.400 -0.048 0.000 2.185 45 K HA 0.592 4.912 4.320 -0.000 0.000 0.240 45 K C 0.400 176.981 176.600 -0.031 0.000 0.983 45 K CA -0.491 55.752 56.287 -0.074 0.000 0.873 45 K CB 1.005 33.413 32.500 -0.152 0.000 1.118 45 K HN 0.057 nan 8.250 nan 0.000 0.441 46 T N 0.817 115.357 114.554 -0.025 0.000 2.940 46 T HA -0.001 4.349 4.350 -0.000 0.000 0.309 46 T C 0.169 174.893 174.700 0.040 0.000 1.056 46 T CA 0.045 62.164 62.100 0.030 0.000 1.137 46 T CB 0.719 69.629 68.868 0.070 0.000 0.976 46 T HN 0.415 nan 8.240 nan 0.000 0.547 47 S N 2.198 117.962 115.700 0.107 0.000 2.429 47 S HA 0.443 4.912 4.470 -0.000 0.000 0.302 47 S C -1.099 173.674 174.600 0.289 0.000 1.115 47 S CA -0.757 57.525 58.200 0.135 0.000 1.095 47 S CB 0.006 63.261 63.200 0.091 0.000 0.987 47 S HN 0.460 nan 8.310 nan 0.000 0.474 48 Y N 3.077 123.396 120.300 0.032 0.000 2.323 48 Y HA 0.355 4.904 4.550 -0.000 0.000 0.331 48 Y C 1.209 177.074 175.900 -0.058 0.000 1.092 48 Y CA -1.537 56.514 58.100 -0.083 0.000 1.150 48 Y CB 1.239 39.497 38.460 -0.336 0.000 1.200 48 Y HN 0.802 nan 8.280 nan 0.000 0.472 49 S N 2.095 117.818 115.700 0.038 0.000 2.596 49 S HA 0.170 4.639 4.470 -0.000 0.000 0.260 49 S C 1.440 176.052 174.600 0.020 0.000 1.336 49 S CA -0.535 57.676 58.200 0.018 0.000 0.993 49 S CB 0.443 63.617 63.200 -0.044 0.000 0.923 49 S HN 0.608 nan 8.310 nan 0.000 0.567 50 I N 0.710 121.310 120.570 0.050 0.000 2.145 50 I HA -0.242 3.928 4.170 -0.000 0.000 0.244 50 I C 1.966 178.079 176.117 -0.006 0.000 1.075 50 I CA 1.828 63.170 61.300 0.071 0.000 1.332 50 I CB -0.501 37.547 38.000 0.079 0.000 1.033 50 I HN 0.633 nan 8.210 nan 0.000 0.410 51 D N 0.165 120.515 120.400 -0.084 0.000 2.178 51 D HA -0.161 4.479 4.640 -0.000 0.000 0.202 51 D C 2.277 178.484 176.300 -0.154 0.000 0.974 51 D CA 1.049 54.980 54.000 -0.115 0.000 0.841 51 D CB -0.191 40.522 40.800 -0.145 0.000 0.953 51 D HN 0.460 nan 8.370 nan 0.000 0.478 52 Q N 0.275 119.940 119.800 -0.226 0.000 2.079 52 Q HA -0.028 4.311 4.340 -0.000 0.000 0.200 52 Q C 2.215 178.003 176.000 -0.353 0.000 0.974 52 Q CA 1.287 56.831 55.803 -0.431 0.000 0.840 52 Q CB -0.055 28.229 28.738 -0.755 0.000 0.898 52 Q HN 0.197 nan 8.270 nan 0.000 0.430 53 A N 1.072 123.787 122.820 -0.175 0.000 1.902 53 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 53 A C 2.284 179.880 177.584 0.020 0.000 1.181 53 A CA 1.609 53.592 52.037 -0.089 0.000 0.623 53 A CB -0.813 18.262 19.000 0.124 0.000 0.818 53 A HN 0.403 nan 8.150 nan 0.000 0.443 54 A N -0.143 122.690 122.820 0.020 0.000 1.902 54 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 54 A C 2.494 180.086 177.584 0.014 0.000 1.181 54 A CA 2.116 54.183 52.037 0.050 0.000 0.623 54 A CB -0.981 18.040 19.000 0.035 0.000 0.818 54 A HN 1.065 nan 8.150 nan 0.000 0.443 55 A N -0.992 121.793 122.820 -0.058 0.000 1.930 55 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 55 A C 2.143 179.715 177.584 -0.020 0.000 1.175 55 A CA 2.056 54.051 52.037 -0.070 0.000 0.627 55 A CB -0.470 18.444 19.000 -0.142 0.000 0.815 55 A HN 0.552 nan 8.150 nan 0.000 0.443 56 Q N 0.183 119.976 119.800 -0.012 0.000 2.084 56 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 56 Q C 1.671 177.751 176.000 0.133 0.000 0.978 56 Q CA 1.878 57.728 55.803 0.080 0.000 0.844 56 Q CB -0.449 28.368 28.738 0.132 0.000 0.898 56 Q HN 0.667 nan 8.270 nan 0.000 0.426 57 I N 0.152 120.811 120.570 0.149 0.000 2.676 57 I HA -0.148 4.022 4.170 -0.000 0.000 0.259 57 I C 1.284 177.468 176.117 0.111 0.000 1.194 57 I CA 1.438 62.843 61.300 0.175 0.000 1.473 57 I CB -0.220 37.900 38.000 0.200 0.000 1.096 57 I HN 0.324 nan 8.210 nan 0.000 0.443 58 T N -1.894 112.705 114.554 0.075 0.000 3.206 58 T HA 0.086 4.436 4.350 -0.000 0.000 0.253 58 T C 1.655 176.368 174.700 0.022 0.000 1.042 58 T CA -0.513 61.613 62.100 0.043 0.000 0.931 58 T CB -0.349 68.564 68.868 0.076 0.000 1.029 58 T HN 0.421 nan 8.240 nan 0.000 0.564 59 R N 1.350 121.865 120.500 0.025 0.000 2.159 59 R HA -0.073 4.267 4.340 -0.000 0.000 0.237 59 R C 1.376 177.656 176.300 -0.033 0.000 1.131 59 R CA 1.201 57.309 56.100 0.014 0.000 0.982 59 R CB -0.510 29.813 30.300 0.039 0.000 0.868 59 R HN 0.268 nan 8.270 nan 0.000 0.453 60 E N 1.333 121.468 120.200 -0.109 0.000 2.409 60 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 60 E C -0.071 176.425 176.600 -0.173 0.000 1.024 60 E CA 0.206 56.488 56.400 -0.197 0.000 0.861 60 E CB -0.328 29.104 29.700 -0.447 0.000 0.788 60 E HN 0.384 nan 8.360 nan 0.000 0.521 61 N N 0.360 118.993 118.700 -0.111 0.000 2.699 61 N HA -0.190 4.550 4.740 -0.000 0.000 0.256 61 N C -0.694 174.671 175.510 -0.242 0.000 0.993 61 N CA 0.651 53.635 53.050 -0.110 0.000 0.759 61 N CB -1.317 37.161 38.487 -0.015 0.000 0.906 61 N HN 0.054 nan 8.380 nan 0.000 0.541 62 V N -0.399 119.346 119.914 -0.281 0.000 2.876 62 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 62 V C -0.198 175.707 176.094 -0.315 0.000 1.085 62 V CA 0.156 62.274 62.300 -0.303 0.000 0.945 62 V CB 2.320 33.958 31.823 -0.309 0.000 1.017 62 V HN 0.530 nan 8.190 nan 0.000 0.428 63 S N 3.509 119.023 115.700 -0.309 0.000 2.672 63 S HA 0.380 4.850 4.470 -0.000 0.000 0.271 63 S C -0.346 174.145 174.600 -0.182 0.000 1.171 63 S CA -0.538 57.507 58.200 -0.258 0.000 0.817 63 S CB 0.861 63.795 63.200 -0.443 0.000 1.150 63 S HN 0.717 nan 8.310 nan 0.000 0.478 64 W N 1.143 122.529 121.300 0.144 0.000 2.632 64 W HA 0.158 4.818 4.660 -0.000 0.000 0.248 64 W C 1.521 178.074 176.519 0.057 0.000 1.259 64 W CA 0.184 57.597 57.345 0.115 0.000 1.288 64 W CB -0.082 29.469 29.460 0.151 0.000 1.136 64 W HN 0.603 nan 8.180 nan 0.000 0.640 65 N N -0.696 118.108 118.700 0.173 0.000 2.236 65 N HA 0.222 4.962 4.740 -0.000 0.000 0.196 65 N C 0.843 176.343 175.510 -0.016 0.000 1.114 65 N CA 1.199 54.297 53.050 0.080 0.000 0.859 65 N CB 0.838 39.340 38.487 0.025 0.000 0.982 65 N HN 0.151 nan 8.380 nan 0.000 0.493 66 G N 0.133 108.892 108.800 -0.069 0.000 2.306 66 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.262 66 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.262 66 G C -0.893 173.896 174.900 -0.185 0.000 1.263 66 G CA -0.357 44.681 45.100 -0.102 0.000 1.088 66 G HN 0.174 nan 8.290 nan 0.000 0.489 67 T N -2.134 112.317 114.554 -0.173 0.000 2.867 67 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 67 T C 0.537 175.081 174.700 -0.261 0.000 1.000 67 T CA 0.477 62.450 62.100 -0.212 0.000 1.042 67 T CB 1.307 70.091 68.868 -0.140 0.000 0.973 67 T HN 1.588 nan 8.240 nan 0.000 0.465 68 N N -0.608 117.868 118.700 -0.375 0.000 2.725 68 N HA -0.124 4.615 4.740 -0.000 0.000 0.249 68 N C -0.793 174.324 175.510 -0.654 0.000 1.103 68 N CA 0.164 52.942 53.050 -0.453 0.000 0.707 68 N CB -1.110 37.306 38.487 -0.118 0.000 1.043 68 N HN 0.513 nan 8.380 nan 0.000 0.553 69 V N 1.407 120.834 119.914 -0.813 0.000 2.384 69 V HA 0.564 4.684 4.120 -0.000 0.000 0.287 69 V C -0.114 175.535 176.094 -0.743 0.000 1.020 69 V CA -0.275 61.692 62.300 -0.555 0.000 0.850 69 V CB 0.631 32.272 31.823 -0.303 0.000 0.987 69 V HN 0.105 nan 8.190 nan 0.000 0.436 70 F N 1.362 121.259 119.950 -0.089 0.000 2.561 70 F HA 0.723 5.250 4.527 -0.000 0.000 0.321 70 F C 1.147 176.906 175.800 -0.067 0.000 1.065 70 F CA -0.131 57.808 58.000 -0.101 0.000 0.934 70 F CB 2.058 41.012 39.000 -0.077 0.000 1.215 70 F HN 0.651 nan 8.300 nan 0.000 0.471 71 G N 1.617 110.501 108.800 0.141 0.000 2.179 71 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 71 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 71 G C -0.223 174.722 174.900 0.076 0.000 1.010 71 G CA 0.169 45.329 45.100 0.100 0.000 0.736 71 G HN 0.632 nan 8.290 nan 0.000 0.513 72 K N 0.833 121.261 120.400 0.046 0.000 2.323 72 K HA 0.584 4.904 4.320 -0.000 0.000 0.259 72 K C 1.019 177.714 176.600 0.158 0.000 0.947 72 K CA -0.015 56.313 56.287 0.069 0.000 0.819 72 K CB 0.978 33.493 32.500 0.025 0.000 1.109 72 K HN 0.380 nan 8.250 nan 0.000 0.429 73 S N 2.394 118.180 115.700 0.143 0.000 2.596 73 S HA 0.605 5.075 4.470 -0.000 0.000 0.260 73 S C -0.153 174.537 174.600 0.150 0.000 1.336 73 S CA -0.575 57.716 58.200 0.151 0.000 0.993 73 S CB 1.289 64.532 63.200 0.071 0.000 0.923 73 S HN 0.692 nan 8.310 nan 0.000 0.567 74 A N 1.169 124.018 122.820 0.048 0.000 2.574 74 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 74 A C -1.229 176.266 177.584 -0.149 0.000 1.062 74 A CA -1.012 51.018 52.037 -0.012 0.000 0.686 74 A CB 1.205 20.241 19.000 0.060 0.000 1.285 74 A HN 0.779 nan 8.150 nan 0.000 0.403 75 N N 1.279 119.901 118.700 -0.131 0.000 2.443 75 N HA 0.615 5.355 4.740 -0.000 0.000 0.269 75 N C -1.268 174.129 175.510 -0.190 0.000 0.985 75 N CA -0.098 52.853 53.050 -0.165 0.000 0.921 75 N CB 1.539 39.968 38.487 -0.096 0.000 1.195 75 N HN 0.590 nan 8.380 nan 0.000 0.492 76 L N 0.681 121.760 121.223 -0.240 0.000 2.323 76 L HA 0.609 4.949 4.340 -0.000 0.000 0.265 76 L C 0.687 177.529 176.870 -0.047 0.000 1.012 76 L CA -0.889 53.817 54.840 -0.223 0.000 0.820 76 L CB 2.044 43.937 42.059 -0.277 0.000 1.334 76 L HN 0.426 nan 8.230 nan 0.000 0.427 77 T N -1.393 113.100 114.554 -0.102 0.000 2.940 77 T HA 0.777 5.126 4.350 -0.000 0.000 0.288 77 T C -0.656 174.063 174.700 0.031 0.000 1.033 77 T CA -0.595 61.477 62.100 -0.047 0.000 1.033 77 T CB 1.692 70.463 68.868 -0.161 0.000 1.079 77 T HN 0.416 nan 8.240 nan 0.000 0.496 78 F N -1.455 118.423 119.950 -0.121 0.000 2.613 78 F HA 0.886 5.413 4.527 -0.000 0.000 0.314 78 F C -0.879 174.761 175.800 -0.266 0.000 1.075 78 F CA -1.269 56.613 58.000 -0.196 0.000 0.945 78 F CB 2.097 41.005 39.000 -0.154 0.000 1.310 78 F HN 0.788 nan 8.300 nan 0.000 0.467 79 K N 2.059 122.303 120.400 -0.261 0.000 2.543 79 K HA 0.435 4.754 4.320 -0.000 0.000 0.255 79 K C -2.280 174.101 176.600 -0.364 0.000 0.934 79 K CA -0.636 55.433 56.287 -0.363 0.000 0.810 79 K CB 1.848 34.212 32.500 -0.227 0.000 1.315 79 K HN 0.750 nan 8.250 nan 0.000 0.433 80 F N 4.982 124.935 119.950 0.004 0.000 2.368 80 F HA 0.288 4.815 4.527 -0.000 0.000 0.362 80 F C 0.534 176.336 175.800 0.003 0.000 1.137 80 F CA -0.789 57.188 58.000 -0.039 0.000 1.161 80 F CB 0.496 39.476 39.000 -0.032 0.000 1.265 80 F HN 0.191 nan 8.300 nan 0.000 0.530 81 L N 4.257 125.555 121.223 0.125 0.000 2.525 81 L HA -0.023 4.316 4.340 -0.000 0.000 0.278 81 L C 1.197 178.268 176.870 0.335 0.000 1.218 81 L CA 0.024 54.952 54.840 0.148 0.000 0.878 81 L CB 0.466 42.575 42.059 0.082 0.000 1.127 81 L HN 0.601 nan 8.230 nan 0.000 0.492 82 Q N 1.386 121.315 119.800 0.215 0.000 2.352 82 Q HA 0.145 4.485 4.340 -0.000 0.000 0.212 82 Q C 0.172 176.337 176.000 0.275 0.000 0.888 82 Q CA 0.264 56.227 55.803 0.266 0.000 0.934 82 Q CB 0.902 29.725 28.738 0.142 0.000 1.093 82 Q HN 0.842 nan 8.270 nan 0.000 0.523 83 S N -1.202 114.485 115.700 -0.022 0.000 2.595 83 S HA 0.650 5.120 4.470 -0.000 0.000 0.270 83 S C -0.861 173.400 174.600 -0.565 0.000 1.145 83 S CA -0.505 57.521 58.200 -0.290 0.000 0.825 83 S CB 1.492 64.654 63.200 -0.064 0.000 1.107 83 S HN 0.103 nan 8.310 nan 0.000 0.461 84 V N -0.903 118.665 119.914 -0.576 0.000 3.049 84 V HA 0.833 4.953 4.120 -0.000 0.000 0.309 84 V C 0.734 176.717 176.094 -0.185 0.000 1.148 84 V CA -0.068 62.011 62.300 -0.368 0.000 0.990 84 V CB 1.312 32.895 31.823 -0.401 0.000 1.039 84 V HN 1.511 nan 8.190 nan 0.000 0.430 85 S N 1.319 116.953 115.700 -0.110 0.000 2.439 85 S HA 0.321 4.791 4.470 -0.000 0.000 0.224 85 S C 0.844 175.405 174.600 -0.064 0.000 1.029 85 S CA 0.595 58.754 58.200 -0.069 0.000 0.946 85 S CB -0.312 62.858 63.200 -0.051 0.000 0.797 85 S HN 2.233 nan 8.310 nan 0.000 0.504 86 S N -0.176 115.476 115.700 -0.080 0.000 2.611 86 S HA 0.654 5.123 4.470 -0.000 0.000 0.268 86 S C -1.533 172.974 174.600 -0.156 0.000 1.156 86 S CA -1.191 56.952 58.200 -0.095 0.000 0.817 86 S CB 0.494 63.644 63.200 -0.083 0.000 1.122 86 S HN 0.277 nan 8.310 nan 0.000 0.466 87 I N 2.151 122.574 120.570 -0.246 0.000 2.378 87 I HA 0.397 4.566 4.170 -0.000 0.000 0.291 87 I C -1.480 174.402 176.117 -0.392 0.000 0.992 87 I CA -2.668 58.319 61.300 -0.521 0.000 1.154 87 I CB 2.421 40.008 38.000 -0.689 0.000 1.315 87 I HN 0.577 nan 8.210 nan 0.000 0.448 88 P HA -0.154 nan 4.420 nan 0.000 0.223 88 P C 1.164 178.363 177.300 -0.168 0.000 1.144 88 P CA 1.124 64.071 63.100 -0.255 0.000 0.783 88 P CB 0.135 31.616 31.700 -0.366 0.000 0.771 89 S N -1.802 113.794 115.700 -0.174 0.000 2.527 89 S HA 0.239 4.709 4.470 -0.000 0.000 0.222 89 S C 1.803 176.287 174.600 -0.192 0.000 0.985 89 S CA 0.712 58.813 58.200 -0.165 0.000 0.921 89 S CB -1.026 61.971 63.200 -0.338 0.000 0.772 89 S HN 0.310 nan 8.310 nan 0.000 0.529 90 G N 0.978 109.666 108.800 -0.186 0.000 2.217 90 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 90 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 90 G C -0.212 174.609 174.900 -0.132 0.000 0.990 90 G CA 0.105 45.121 45.100 -0.140 0.000 0.627 90 G HN 0.539 nan 8.290 nan 0.000 0.522 91 D N 1.334 121.624 120.400 -0.183 0.000 2.364 91 D HA 0.501 5.141 4.640 -0.000 0.000 0.236 91 D C 1.265 177.541 176.300 -0.039 0.000 1.221 91 D CA 1.494 55.417 54.000 -0.127 0.000 0.891 91 D CB 0.968 41.595 40.800 -0.289 0.000 1.190 91 D HN 0.688 nan 8.370 nan 0.000 0.449 92 T N -4.145 110.454 114.554 0.075 0.000 2.618 92 T HA 0.567 4.917 4.350 -0.000 0.000 0.286 92 T C 0.650 175.474 174.700 0.206 0.000 1.027 92 T CA -0.365 61.803 62.100 0.113 0.000 1.063 92 T CB 1.226 70.139 68.868 0.076 0.000 1.440 92 T HN 0.558 nan 8.240 nan 0.000 0.505 93 G N 0.612 109.526 108.800 0.190 0.000 2.272 93 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.280 93 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.280 93 G C -0.171 174.870 174.900 0.234 0.000 1.067 93 G CA -0.079 45.137 45.100 0.193 0.000 0.902 93 G HN 1.151 nan 8.290 nan 0.000 0.500 94 F N 0.170 120.208 119.950 0.147 0.000 2.635 94 F HA 0.379 4.906 4.527 -0.000 0.000 0.379 94 F C 0.372 176.236 175.800 0.106 0.000 1.094 94 F CA 0.544 58.651 58.000 0.179 0.000 1.300 94 F CB 0.680 39.785 39.000 0.175 0.000 1.035 94 F HN 0.173 nan 8.300 nan 0.000 0.581 95 V N 6.670 126.049 119.914 -0.892 0.000 2.623 95 V HA 0.235 4.355 4.120 -0.000 0.000 0.304 95 V C -0.548 174.816 176.094 -1.216 0.000 1.054 95 V CA -1.307 60.432 62.300 -0.935 0.000 0.882 95 V CB 1.907 33.264 31.823 -0.775 0.000 1.002 95 V HN 0.788 nan 8.190 nan 0.000 0.424 96 K N 3.829 123.693 120.400 -0.893 0.000 2.276 96 K HA 0.380 4.700 4.320 -0.000 0.000 0.259 96 K C -0.222 176.381 176.600 0.005 0.000 1.001 96 K CA -0.327 55.790 56.287 -0.283 0.000 0.927 96 K CB 0.711 33.247 32.500 0.059 0.000 0.969 96 K HN 0.427 nan 8.250 nan 0.000 0.490 97 F N 2.241 122.157 119.950 -0.057 0.000 2.629 97 F HA -0.130 4.397 4.527 -0.000 0.000 0.377 97 F C 1.234 176.974 175.800 -0.099 0.000 1.101 97 F CA -0.442 57.520 58.000 -0.064 0.000 1.301 97 F CB 0.305 39.241 39.000 -0.108 0.000 1.062 97 F HN 0.790 nan 8.300 nan 0.000 0.583 98 N N 2.696 121.390 118.700 -0.009 0.000 2.405 98 N HA 0.353 5.093 4.740 -0.000 0.000 0.269 98 N C 0.504 175.955 175.510 -0.098 0.000 1.249 98 N CA -0.120 52.915 53.050 -0.025 0.000 0.974 98 N CB 0.494 39.003 38.487 0.038 0.000 1.204 98 N HN 0.526 nan 8.380 nan 0.000 0.565 99 A N -0.447 122.324 122.820 -0.082 0.000 1.908 99 A HA -0.236 4.083 4.320 -0.000 0.000 0.218 99 A C 1.967 179.480 177.584 -0.119 0.000 1.181 99 A CA 1.883 53.858 52.037 -0.104 0.000 0.627 99 A CB -1.144 17.815 19.000 -0.068 0.000 0.818 99 A HN 0.906 nan 8.150 nan 0.000 0.445 100 E N -0.497 119.639 120.200 -0.106 0.000 2.106 100 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 100 E C 2.142 178.672 176.600 -0.116 0.000 0.984 100 E CA 1.088 57.425 56.400 -0.104 0.000 0.806 100 E CB -0.149 29.487 29.700 -0.105 0.000 0.750 100 E HN 0.769 nan 8.360 nan 0.000 0.458 101 Q N 0.220 119.914 119.800 -0.175 0.000 2.124 101 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 101 Q C 2.330 178.253 176.000 -0.128 0.000 0.977 101 Q CA 1.355 57.033 55.803 -0.209 0.000 0.850 101 Q CB -0.047 28.210 28.738 -0.801 0.000 0.901 101 Q HN 0.417 nan 8.270 nan 0.000 0.429 102 I N 0.557 120.979 120.570 -0.247 0.000 2.179 102 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 102 I C 2.409 178.409 176.117 -0.195 0.000 1.088 102 I CA 1.112 62.119 61.300 -0.487 0.000 1.357 102 I CB -0.173 37.400 38.000 -0.712 0.000 1.051 102 I HN 0.192 nan 8.210 nan 0.000 0.409 103 E N 0.717 120.847 120.200 -0.117 0.000 2.072 103 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 103 E C 2.191 178.788 176.600 -0.005 0.000 0.985 103 E CA 1.361 57.734 56.400 -0.046 0.000 0.801 103 E CB -0.072 29.602 29.700 -0.043 0.000 0.750 103 E HN 0.321 nan 8.360 nan 0.000 0.452 104 Q N -0.229 119.586 119.800 0.025 0.000 2.119 104 Q HA -0.040 4.299 4.340 -0.000 0.000 0.201 104 Q C 2.119 178.215 176.000 0.161 0.000 0.972 104 Q CA 1.409 57.261 55.803 0.082 0.000 0.847 104 Q CB -0.455 28.310 28.738 0.046 0.000 0.903 104 Q HN 0.370 nan 8.270 nan 0.000 0.433 105 A N 1.300 124.195 122.820 0.125 0.000 1.930 105 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 105 A C 2.090 179.561 177.584 -0.188 0.000 1.175 105 A CA 1.478 53.428 52.037 -0.145 0.000 0.627 105 A CB -0.278 18.347 19.000 -0.625 0.000 0.815 105 A HN 0.240 nan 8.150 nan 0.000 0.443 106 K N -0.316 120.019 120.400 -0.108 0.000 2.097 106 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 106 K C 1.784 178.347 176.600 -0.062 0.000 1.050 106 K CA 1.122 57.335 56.287 -0.123 0.000 0.938 106 K CB -0.328 32.181 32.500 0.015 0.000 0.718 106 K HN 0.468 nan 8.250 nan 0.000 0.442 107 L N 0.469 121.690 121.223 -0.003 0.000 2.046 107 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 107 L C 2.339 179.223 176.870 0.024 0.000 1.077 107 L CA 1.163 56.026 54.840 0.038 0.000 0.747 107 L CB -0.474 41.617 42.059 0.055 0.000 0.896 107 L HN 0.130 nan 8.230 nan 0.000 0.432 108 S N 0.225 115.928 115.700 0.006 0.000 2.356 108 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 108 S C 1.998 176.603 174.600 0.008 0.000 1.032 108 S CA 1.235 59.427 58.200 -0.013 0.000 1.005 108 S CB -0.416 62.849 63.200 0.107 0.000 0.867 108 S HN 0.262 nan 8.310 nan 0.000 0.449 109 L N 1.376 122.549 121.223 -0.084 0.000 2.021 109 L HA -0.264 4.075 4.340 -0.000 0.000 0.215 109 L C 2.872 179.795 176.870 0.089 0.000 1.074 109 L CA 1.864 56.554 54.840 -0.251 0.000 0.760 109 L CB -0.571 41.028 42.059 -0.767 0.000 0.889 109 L HN 0.421 nan 8.230 nan 0.000 0.433 110 Q N -0.114 119.736 119.800 0.084 0.000 2.167 110 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 110 Q C 2.271 178.388 176.000 0.195 0.000 0.970 110 Q CA 1.798 57.711 55.803 0.182 0.000 0.855 110 Q CB -0.004 28.818 28.738 0.140 0.000 0.911 110 Q HN 0.589 nan 8.270 nan 0.000 0.438 111 S N -1.176 114.577 115.700 0.089 0.000 2.423 111 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 111 S C 1.341 175.892 174.600 -0.082 0.000 1.014 111 S CA 0.746 58.918 58.200 -0.047 0.000 0.965 111 S CB -0.628 62.305 63.200 -0.445 0.000 0.785 111 S HN 0.615 nan 8.310 nan 0.000 0.495 112 W N 2.231 123.597 121.300 0.109 0.000 2.481 112 W HA 0.084 4.744 4.660 -0.000 0.000 0.293 112 W C 3.082 179.691 176.519 0.150 0.000 1.201 112 W CA 0.611 58.037 57.345 0.135 0.000 1.328 112 W CB -0.291 29.282 29.460 0.188 0.000 1.112 112 W HN 0.464 nan 8.180 nan 0.000 0.546 113 S N -0.593 115.377 115.700 0.451 0.000 2.453 113 S HA -0.156 4.314 4.470 -0.000 0.000 0.231 113 S C 1.236 175.951 174.600 0.193 0.000 1.005 113 S CA 1.360 59.711 58.200 0.251 0.000 0.949 113 S CB -0.442 62.903 63.200 0.241 0.000 0.774 113 S HN 0.080 nan 8.310 nan 0.000 0.510 114 D N 1.619 122.159 120.400 0.233 0.000 2.178 114 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 114 D C 2.046 178.480 176.300 0.224 0.000 0.980 114 D CA 1.460 55.620 54.000 0.265 0.000 0.842 114 D CB -0.071 40.931 40.800 0.336 0.000 0.948 114 D HN 0.570 nan 8.370 nan 0.000 0.472 115 V N -3.161 116.790 119.914 0.062 0.000 3.523 115 V HA 0.553 4.673 4.120 -0.000 0.000 0.255 115 V C 0.673 176.557 176.094 -0.350 0.000 1.226 115 V CA 0.417 62.513 62.300 -0.339 0.000 1.092 115 V CB 0.157 31.823 31.823 -0.261 0.000 0.817 115 V HN 0.054 nan 8.190 nan 0.000 0.458 116 A N 0.676 123.465 122.820 -0.050 0.000 2.384 116 A HA 0.646 4.966 4.320 -0.000 0.000 0.312 116 A C -0.306 177.285 177.584 0.013 0.000 1.113 116 A CA -0.689 51.347 52.037 -0.002 0.000 0.779 116 A CB 1.037 20.102 19.000 0.109 0.000 1.307 116 A HN 0.163 nan 8.150 nan 0.000 0.436 117 N N 1.194 119.918 118.700 0.040 0.000 2.819 117 N HA 0.286 5.026 4.740 -0.000 0.000 0.284 117 N C -1.244 174.221 175.510 -0.074 0.000 1.196 117 N CA 0.464 53.526 53.050 0.019 0.000 1.114 117 N CB -0.872 37.653 38.487 0.063 0.000 1.437 117 N HN 0.513 nan 8.380 nan 0.000 0.518 118 L N 0.948 122.067 121.223 -0.173 0.000 2.401 118 L HA 0.486 4.826 4.340 -0.000 0.000 0.266 118 L C 0.167 176.782 176.870 -0.425 0.000 0.991 118 L CA -0.833 53.759 54.840 -0.414 0.000 0.818 118 L CB 2.305 43.987 42.059 -0.627 0.000 1.321 118 L HN 0.214 nan 8.230 nan 0.000 0.413 119 T N -1.429 112.837 114.554 -0.481 0.000 2.863 119 T HA 0.695 5.045 4.350 -0.000 0.000 0.285 119 T C -0.811 173.582 174.700 -0.510 0.000 1.009 119 T CA -0.550 61.334 62.100 -0.360 0.000 0.989 119 T CB 1.319 70.103 68.868 -0.141 0.000 1.004 119 T HN 0.183 nan 8.240 nan 0.000 0.455 120 F N 1.021 121.010 119.950 0.065 0.000 2.467 120 F HA 0.568 5.095 4.527 -0.000 0.000 0.336 120 F C 0.542 176.518 175.800 0.293 0.000 1.123 120 F CA -0.758 57.344 58.000 0.170 0.000 0.964 120 F CB 2.517 41.570 39.000 0.088 0.000 1.136 120 F HN 0.580 nan 8.300 nan 0.000 0.447 121 T N 2.303 117.096 114.554 0.399 0.000 2.841 121 T HA 0.172 4.522 4.350 -0.000 0.000 0.285 121 T C -0.659 173.875 174.700 -0.277 0.000 0.991 121 T CA -0.776 61.398 62.100 0.123 0.000 0.966 121 T CB 1.535 70.409 68.868 0.009 0.000 0.962 121 T HN 0.561 nan 8.240 nan 0.000 0.438 122 E N 2.486 122.321 120.200 -0.609 0.000 2.360 122 E HA 0.390 4.740 4.350 -0.000 0.000 0.269 122 E C -0.145 176.141 176.600 -0.522 0.000 1.022 122 E CA -0.570 55.155 56.400 -1.125 0.000 0.887 122 E CB 0.601 29.819 29.700 -0.804 0.000 0.990 122 E HN 0.500 nan 8.360 nan 0.000 0.426 123 V N 1.114 120.741 119.914 -0.477 0.000 2.960 123 V HA 0.782 4.902 4.120 -0.000 0.000 0.315 123 V C -0.076 175.899 176.094 -0.199 0.000 1.087 123 V CA -0.207 61.937 62.300 -0.259 0.000 0.982 123 V CB 1.549 33.252 31.823 -0.201 0.000 1.039 123 V HN 0.870 nan 8.190 nan 0.000 0.437 124 T N -1.148 113.335 114.554 -0.120 0.000 2.669 124 T HA 0.902 5.252 4.350 -0.000 0.000 0.283 124 T C 0.777 175.445 174.700 -0.053 0.000 1.019 124 T CA 0.182 62.242 62.100 -0.068 0.000 1.039 124 T CB 0.921 69.766 68.868 -0.037 0.000 1.374 124 T HN 2.623 nan 8.240 nan 0.000 0.523 125 G N 1.561 110.344 108.800 -0.028 0.000 2.574 125 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.286 125 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.286 125 G C 0.344 175.225 174.900 -0.033 0.000 1.212 125 G CA 0.644 45.730 45.100 -0.024 0.000 0.979 125 G HN 1.022 nan 8.290 nan 0.000 0.557 126 N N 1.012 119.692 118.700 -0.034 0.000 2.398 126 N HA 0.196 4.936 4.740 -0.000 0.000 0.188 126 N C 0.672 176.153 175.510 -0.048 0.000 1.122 126 N CA 0.699 53.727 53.050 -0.038 0.000 0.866 126 N CB 0.253 38.722 38.487 -0.030 0.000 0.970 126 N HN 0.572 nan 8.380 nan 0.000 0.462 127 K N 1.169 121.534 120.400 -0.058 0.000 2.448 127 K HA 0.078 4.397 4.320 -0.000 0.000 0.278 127 K C 0.459 177.010 176.600 -0.083 0.000 1.009 127 K CA -0.151 56.093 56.287 -0.070 0.000 0.995 127 K CB 0.456 32.907 32.500 -0.083 0.000 0.917 127 K HN 0.173 nan 8.250 nan 0.000 0.481 128 S N 1.305 116.956 115.700 -0.082 0.000 2.593 128 S HA 0.594 5.064 4.470 -0.000 0.000 0.269 128 S C -0.238 174.287 174.600 -0.126 0.000 1.334 128 S CA -0.830 57.315 58.200 -0.092 0.000 1.015 128 S CB 1.444 64.598 63.200 -0.077 0.000 0.912 128 S HN 0.621 nan 8.310 nan 0.000 0.541 129 A N 1.382 124.115 122.820 -0.146 0.000 2.539 129 A HA 0.608 4.928 4.320 -0.000 0.000 0.296 129 A C 0.309 177.748 177.584 -0.242 0.000 1.073 129 A CA -1.054 50.868 52.037 -0.192 0.000 0.700 129 A CB 0.751 19.635 19.000 -0.193 0.000 1.296 129 A HN 0.870 nan 8.150 nan 0.000 0.405 130 N N -0.034 118.439 118.700 -0.378 0.000 2.120 130 N HA 0.017 4.756 4.740 -0.000 0.000 0.188 130 N C 0.002 175.333 175.510 -0.298 0.000 1.024 130 N CA 1.321 53.961 53.050 -0.684 0.000 0.852 130 N CB -0.020 37.728 38.487 -1.232 0.000 1.003 130 N HN 0.645 nan 8.380 nan 0.000 0.424 131 I N 0.395 120.834 120.570 -0.218 0.000 2.498 131 I HA 0.243 4.412 4.170 -0.000 0.000 0.290 131 I C -0.467 175.440 176.117 -0.350 0.000 1.032 131 I CA -0.691 60.476 61.300 -0.221 0.000 1.073 131 I CB 1.975 39.851 38.000 -0.207 0.000 1.251 131 I HN 0.037 nan 8.210 nan 0.000 0.426 132 T N 1.895 116.136 114.554 -0.521 0.000 2.930 132 T HA 0.738 5.087 4.350 -0.000 0.000 0.290 132 T C -0.893 173.206 174.700 -1.002 0.000 1.052 132 T CA -0.651 61.099 62.100 -0.584 0.000 1.017 132 T CB 1.919 70.547 68.868 -0.401 0.000 1.137 132 T HN 0.191 nan 8.240 nan 0.000 0.511 133 F N -0.206 119.377 119.950 -0.610 0.000 2.556 133 F HA 0.795 5.321 4.527 -0.000 0.000 0.314 133 F C 0.665 176.040 175.800 -0.708 0.000 1.106 133 F CA -0.374 57.169 58.000 -0.763 0.000 0.911 133 F CB 2.775 41.045 39.000 -1.216 0.000 1.190 133 F HN 1.175 nan 8.300 nan 0.000 0.448 134 G N 1.931 110.563 108.800 -0.279 0.000 2.673 134 G HA2 0.373 4.333 3.960 -0.000 0.000 0.292 134 G HA3 0.373 4.333 3.960 -0.000 0.000 0.292 134 G C -2.020 173.253 174.900 0.622 0.000 1.450 134 G CA -0.970 44.263 45.100 0.222 0.000 0.837 134 G HN 0.411 nan 8.290 nan 0.000 0.505 135 N N -0.611 118.390 118.700 0.502 0.000 2.472 135 N HA 0.667 5.406 4.740 -0.000 0.000 0.289 135 N C -1.024 174.737 175.510 0.417 0.000 1.156 135 N CA -0.214 53.087 53.050 0.417 0.000 0.940 135 N CB 1.945 40.513 38.487 0.135 0.000 1.200 135 N HN 0.667 nan 8.380 nan 0.000 0.511 136 Y N -2.769 117.729 120.300 0.329 0.000 2.634 136 Y HA 0.647 5.196 4.550 -0.000 0.000 0.340 136 Y C 0.641 176.675 175.900 0.222 0.000 1.058 136 Y CA -0.921 57.331 58.100 0.254 0.000 1.081 136 Y CB 1.074 39.682 38.460 0.246 0.000 1.295 136 Y HN 0.499 nan 8.280 nan 0.000 0.487 137 T N -2.605 112.120 114.554 0.286 0.000 3.080 137 T HA 0.504 4.854 4.350 -0.000 0.000 0.280 137 T C -0.011 174.840 174.700 0.252 0.000 0.926 137 T CA -0.418 61.800 62.100 0.197 0.000 0.883 137 T CB 0.060 69.023 68.868 0.159 0.000 1.194 137 T HN 0.701 nan 8.240 nan 0.000 0.541 138 R N 1.431 122.116 120.500 0.309 0.000 2.764 138 R HA 0.589 4.929 4.340 -0.000 0.000 0.270 138 R C -1.515 174.894 176.300 0.181 0.000 1.014 138 R CA -0.904 55.321 56.100 0.209 0.000 0.904 138 R CB 1.150 31.538 30.300 0.147 0.000 1.236 138 R HN 0.245 nan 8.270 nan 0.000 0.466 139 D N 0.428 120.890 120.400 0.103 0.000 2.478 139 D HA 0.258 4.898 4.640 -0.000 0.000 0.274 139 D C 0.850 177.162 176.300 0.020 0.000 1.234 139 D CA -0.514 53.511 54.000 0.042 0.000 1.069 139 D CB 0.284 41.094 40.800 0.016 0.000 1.113 139 D HN 0.471 nan 8.370 nan 0.000 0.571 140 A N -0.547 122.264 122.820 -0.015 0.000 2.067 140 A HA -0.084 4.235 4.320 -0.000 0.000 0.219 140 A C 1.956 179.538 177.584 -0.003 0.000 1.158 140 A CA 1.267 53.293 52.037 -0.019 0.000 0.661 140 A CB -0.850 18.126 19.000 -0.040 0.000 0.801 140 A HN 0.435 nan 8.150 nan 0.000 0.452 141 S N -1.478 114.223 115.700 0.002 0.000 2.561 141 S HA 0.309 4.779 4.470 -0.000 0.000 0.225 141 S C 1.490 176.103 174.600 0.022 0.000 0.977 141 S CA 0.848 59.054 58.200 0.009 0.000 0.926 141 S CB -0.059 63.145 63.200 0.007 0.000 0.769 141 S HN 1.601 nan 8.310 nan 0.000 0.533 142 G N 1.900 110.720 108.800 0.033 0.000 2.157 142 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 142 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 142 G C -0.249 174.685 174.900 0.057 0.000 0.979 142 G CA -0.388 44.741 45.100 0.048 0.000 0.650 142 G HN 0.454 nan 8.290 nan 0.000 0.529 143 N N 0.093 118.824 118.700 0.052 0.000 2.518 143 N HA 0.460 5.200 4.740 -0.000 0.000 0.283 143 N C 0.298 175.855 175.510 0.078 0.000 1.119 143 N CA -0.603 52.482 53.050 0.058 0.000 0.983 143 N CB 1.619 40.129 38.487 0.040 0.000 1.139 143 N HN 0.264 nan 8.380 nan 0.000 0.465 144 L N 1.616 122.898 121.223 0.099 0.000 2.559 144 L HA -0.042 4.298 4.340 -0.000 0.000 0.274 144 L C 0.148 177.076 176.870 0.097 0.000 1.205 144 L CA 0.583 55.503 54.840 0.134 0.000 0.907 144 L CB -0.013 42.156 42.059 0.182 0.000 1.153 144 L HN 0.452 nan 8.230 nan 0.000 0.490 145 D N 3.820 124.291 120.400 0.118 0.000 2.441 145 D HA 0.161 4.801 4.640 -0.000 0.000 0.231 145 D C -0.341 176.013 176.300 0.090 0.000 1.073 145 D CA -0.316 53.711 54.000 0.046 0.000 0.850 145 D CB 0.520 41.424 40.800 0.174 0.000 1.062 145 D HN 0.465 nan 8.370 nan 0.000 0.524 146 Y N 1.708 122.068 120.300 0.099 0.000 2.584 146 Y HA 0.528 5.078 4.550 -0.000 0.000 0.254 146 Y C 1.345 177.293 175.900 0.081 0.000 1.177 146 Y CA -0.575 57.571 58.100 0.076 0.000 1.216 146 Y CB 0.384 38.875 38.460 0.052 0.000 1.172 146 Y HN 0.251 nan 8.280 nan 0.000 0.529 147 G N 0.707 109.467 108.800 -0.067 0.000 2.576 147 G HA2 0.040 4.000 3.960 -0.000 0.000 0.210 147 G HA3 0.040 4.000 3.960 -0.000 0.000 0.210 147 G C 0.796 175.764 174.900 0.113 0.000 1.143 147 G CA 0.668 45.782 45.100 0.022 0.000 0.819 147 G HN 0.446 nan 8.290 nan 0.000 0.534 148 T N -2.219 112.428 114.554 0.155 0.000 2.770 148 T HA 0.472 4.822 4.350 -0.000 0.000 0.281 148 T C 0.854 175.711 174.700 0.262 0.000 0.981 148 T CA 0.317 62.558 62.100 0.235 0.000 0.955 148 T CB 2.000 71.067 68.868 0.331 0.000 1.060 148 T HN 0.172 nan 8.240 nan 0.000 0.531 149 Q N 0.279 120.263 119.800 0.307 0.000 2.642 149 Q HA 0.647 4.987 4.340 -0.000 0.000 0.202 149 Q C -0.061 176.119 176.000 0.300 0.000 0.845 149 Q CA 0.668 56.636 55.803 0.275 0.000 0.873 149 Q CB 0.398 29.302 28.738 0.278 0.000 1.190 149 Q HN 1.185 nan 8.270 nan 0.000 0.642 150 A N -1.183 121.821 122.820 0.307 0.000 2.544 150 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 150 A C -1.899 175.762 177.584 0.127 0.000 1.055 150 A CA -0.268 51.852 52.037 0.138 0.000 0.651 150 A CB 0.305 19.346 19.000 0.068 0.000 1.296 150 A HN 0.554 nan 8.150 nan 0.000 0.431 151 Y N -3.047 117.248 120.300 -0.009 0.000 2.750 151 Y HA 0.911 5.461 4.550 -0.000 0.000 0.335 151 Y C -0.362 175.486 175.900 -0.087 0.000 1.252 151 Y CA -0.810 57.255 58.100 -0.059 0.000 1.064 151 Y CB 0.762 39.162 38.460 -0.100 0.000 1.321 151 Y HN 2.010 nan 8.280 nan 0.000 0.451 152 A N 0.176 123.005 122.820 0.015 0.000 2.602 152 A HA 0.803 5.123 4.320 -0.000 0.000 0.290 152 A C -2.597 174.819 177.584 -0.279 0.000 1.114 152 A CA -0.985 51.038 52.037 -0.022 0.000 0.683 152 A CB 1.198 20.201 19.000 0.005 0.000 1.281 152 A HN 0.704 nan 8.150 nan 0.000 0.416 153 Y N -0.208 120.106 120.300 0.023 0.000 2.364 153 Y HA 0.522 5.072 4.550 -0.000 0.000 0.340 153 Y C -0.072 175.821 175.900 -0.013 0.000 0.975 153 Y CA -0.270 57.829 58.100 -0.001 0.000 1.089 153 Y CB 1.248 39.823 38.460 0.192 0.000 1.192 153 Y HN 0.653 nan 8.280 nan 0.000 0.454 154 Y N 3.518 123.932 120.300 0.189 0.000 2.607 154 Y HA 0.017 4.566 4.550 -0.000 0.000 0.348 154 Y C -1.739 174.082 175.900 -0.132 0.000 1.261 154 Y CA -1.641 56.476 58.100 0.028 0.000 1.480 154 Y CB -0.049 38.417 38.460 0.011 0.000 1.358 154 Y HN 0.376 nan 8.280 nan 0.000 0.630 155 P HA 0.173 nan 4.420 nan 0.000 0.269 155 P C -0.090 176.857 177.300 -0.589 0.000 1.217 155 P CA 0.438 62.846 63.100 -1.155 0.000 0.783 155 P CB 0.672 31.423 31.700 -1.582 0.000 0.898 156 G N 1.203 109.606 108.800 -0.662 0.000 2.324 156 G HA2 0.146 4.106 3.960 -0.000 0.000 0.293 156 G HA3 0.146 4.106 3.960 -0.000 0.000 0.293 156 G C -0.427 174.392 174.900 -0.136 0.000 1.297 156 G CA -0.448 44.544 45.100 -0.181 0.000 0.853 156 G HN 0.493 nan 8.290 nan 0.000 0.535 157 N N -1.280 117.437 118.700 0.028 0.000 2.280 157 N HA 0.191 4.931 4.740 -0.000 0.000 0.192 157 N C 0.597 176.118 175.510 0.017 0.000 1.109 157 N CA 0.409 53.478 53.050 0.032 0.000 0.855 157 N CB -0.150 38.377 38.487 0.067 0.000 0.974 157 N HN 0.754 nan 8.380 nan 0.000 0.482 158 Y N -0.924 119.386 120.300 0.017 0.000 2.289 158 Y HA 0.466 5.016 4.550 -0.000 0.000 0.332 158 Y C 0.677 176.576 175.900 -0.002 0.000 1.324 158 Y CA -1.708 56.393 58.100 0.003 0.000 1.478 158 Y CB 0.190 38.647 38.460 -0.005 0.000 1.378 158 Y HN -0.127 nan 8.280 nan 0.000 0.558 159 Q N 0.907 120.778 119.800 0.118 0.000 2.289 159 Q HA 0.389 4.729 4.340 -0.000 0.000 0.273 159 Q C 0.791 176.754 176.000 -0.062 0.000 1.029 159 Q CA 1.338 57.141 55.803 -0.000 0.000 0.896 159 Q CB 0.324 29.077 28.738 0.026 0.000 1.182 159 Q HN 1.165 nan 8.270 nan 0.000 0.385 160 G N 2.444 111.149 108.800 -0.159 0.000 2.175 160 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.244 160 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.244 160 G C 0.214 174.957 174.900 -0.262 0.000 0.982 160 G CA -0.108 44.871 45.100 -0.203 0.000 0.641 160 G HN 1.124 nan 8.290 nan 0.000 0.527 161 A N 0.137 122.609 122.820 -0.580 0.000 2.566 161 A HA 0.572 4.892 4.320 -0.000 0.000 0.245 161 A C 2.162 179.732 177.584 -0.023 0.000 1.056 161 A CA 2.190 53.843 52.037 -0.640 0.000 0.757 161 A CB -0.300 18.142 19.000 -0.931 0.000 0.979 161 A HN 2.440 nan 8.150 nan 0.000 0.508 162 G N 1.630 110.513 108.800 0.139 0.000 2.179 162 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 162 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 162 G C 0.592 175.531 174.900 0.065 0.000 0.977 162 G CA 0.956 46.231 45.100 0.292 0.000 0.641 162 G HN 2.220 nan 8.290 nan 0.000 0.533 163 S N -0.049 115.691 115.700 0.068 0.000 2.584 163 S HA 0.744 5.214 4.470 -0.000 0.000 0.273 163 S C 0.167 174.650 174.600 -0.194 0.000 1.311 163 S CA 0.673 58.799 58.200 -0.124 0.000 1.034 163 S CB 1.975 65.249 63.200 0.123 0.000 0.939 163 S HN 1.876 nan 8.310 nan 0.000 0.513 164 S N 1.280 116.540 115.700 -0.732 0.000 2.548 164 S HA 0.803 5.273 4.470 -0.000 0.000 0.286 164 S C -1.670 172.302 174.600 -1.047 0.000 1.098 164 S CA -0.963 56.840 58.200 -0.660 0.000 0.930 164 S CB 0.438 63.361 63.200 -0.462 0.000 1.070 164 S HN 0.866 nan 8.310 nan 0.000 0.480 165 W N 0.487 121.367 121.300 -0.700 0.000 3.274 165 W HA 0.636 5.296 4.660 -0.000 0.000 0.327 165 W C -1.873 174.240 176.519 -0.677 0.000 1.172 165 W CA -0.634 56.447 57.345 -0.440 0.000 1.217 165 W CB 1.395 30.570 29.460 -0.475 0.000 1.376 165 W HN 0.698 nan 8.180 nan 0.000 0.507 166 Y N 1.450 122.011 120.300 0.434 0.000 2.477 166 Y HA 0.297 4.847 4.550 -0.000 0.000 0.347 166 Y C 0.083 175.888 175.900 -0.158 0.000 0.981 166 Y CA -1.406 56.844 58.100 0.250 0.000 1.033 166 Y CB 1.597 40.268 38.460 0.351 0.000 1.245 166 Y HN 0.290 nan 8.280 nan 0.000 0.455 167 N N 1.768 120.336 118.700 -0.220 0.000 2.401 167 N HA -0.041 4.698 4.740 -0.000 0.000 0.255 167 N C 0.184 175.624 175.510 -0.115 0.000 1.110 167 N CA 0.223 52.940 53.050 -0.556 0.000 0.949 167 N CB 0.182 38.523 38.487 -0.243 0.000 1.110 167 N HN 0.758 nan 8.380 nan 0.000 0.490 168 Y N 3.710 123.881 120.300 -0.214 0.000 2.509 168 Y HA 0.082 4.632 4.550 -0.000 0.000 0.293 168 Y C 1.207 177.074 175.900 -0.054 0.000 1.133 168 Y CA 0.970 59.016 58.100 -0.091 0.000 1.283 168 Y CB 0.175 38.592 38.460 -0.071 0.000 1.001 168 Y HN 0.583 nan 8.280 nan 0.000 0.555 169 N N -0.078 118.637 118.700 0.026 0.000 2.461 169 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 169 N C -0.163 175.341 175.510 -0.010 0.000 1.134 169 N CA 0.485 53.548 53.050 0.022 0.000 0.878 169 N CB 0.030 38.587 38.487 0.117 0.000 0.972 169 N HN 0.362 nan 8.380 nan 0.000 0.456 170 Q N 0.479 120.259 119.800 -0.033 0.000 2.274 170 Q HA 0.132 4.472 4.340 -0.000 0.000 0.256 170 Q C 1.134 177.071 176.000 -0.105 0.000 0.927 170 Q CA -0.100 55.688 55.803 -0.024 0.000 0.939 170 Q CB 1.605 30.356 28.738 0.022 0.000 1.201 170 Q HN 0.227 nan 8.270 nan 0.000 0.426 171 S N 2.526 118.168 115.700 -0.096 0.000 2.419 171 S HA -0.233 4.237 4.470 -0.000 0.000 0.233 171 S C 1.247 175.762 174.600 -0.141 0.000 1.016 171 S CA 1.572 59.689 58.200 -0.138 0.000 0.974 171 S CB -0.165 62.975 63.200 -0.101 0.000 0.786 171 S HN 0.762 nan 8.310 nan 0.000 0.492 172 N N 1.697 120.341 118.700 -0.094 0.000 2.244 172 N HA -0.059 4.680 4.740 -0.000 0.000 0.183 172 N C 1.593 176.981 175.510 -0.202 0.000 1.016 172 N CA 1.276 54.258 53.050 -0.112 0.000 0.866 172 N CB -0.428 38.045 38.487 -0.022 0.000 0.980 172 N HN 0.350 nan 8.380 nan 0.000 0.430 173 I N 0.867 121.337 120.570 -0.166 0.000 2.353 173 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 173 I C 2.123 178.084 176.117 -0.259 0.000 1.119 173 I CA 0.990 62.180 61.300 -0.184 0.000 1.417 173 I CB -0.841 37.146 38.000 -0.021 0.000 1.078 173 I HN 0.297 nan 8.210 nan 0.000 0.421 174 R N 0.919 121.227 120.500 -0.319 0.000 2.153 174 R HA 0.006 4.346 4.340 -0.000 0.000 0.218 174 R C 0.159 176.294 176.300 -0.274 0.000 1.072 174 R CA 0.656 56.522 56.100 -0.389 0.000 0.990 174 R CB -0.090 29.842 30.300 -0.614 0.000 0.889 174 R HN 0.333 nan 8.270 nan 0.000 0.452 175 N N 0.690 119.243 118.700 -0.245 0.000 2.696 175 N HA 0.118 4.858 4.740 -0.000 0.000 0.308 175 N C -2.206 173.172 175.510 -0.220 0.000 1.915 175 N CA -1.188 51.744 53.050 -0.196 0.000 0.906 175 N CB 1.203 39.600 38.487 -0.150 0.000 1.284 175 N HN 0.067 nan 8.380 nan 0.000 0.488 176 P HA -0.016 nan 4.420 nan 0.000 0.230 176 P C 1.349 178.494 177.300 -0.257 0.000 1.158 176 P CA 0.710 63.569 63.100 -0.402 0.000 0.769 176 P CB 0.245 31.484 31.700 -0.769 0.000 0.807 177 G N 0.600 109.292 108.800 -0.179 0.000 2.572 177 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 177 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 177 G C 1.425 176.277 174.900 -0.080 0.000 1.133 177 G CA 0.882 45.916 45.100 -0.110 0.000 0.791 177 G HN 0.460 nan 8.290 nan 0.000 0.538 178 S N -1.111 114.537 115.700 -0.088 0.000 2.559 178 S HA 0.270 4.740 4.470 -0.000 0.000 0.226 178 S C 0.280 174.855 174.600 -0.043 0.000 1.030 178 S CA -0.405 57.763 58.200 -0.053 0.000 0.956 178 S CB 0.555 63.725 63.200 -0.050 0.000 0.900 178 S HN 0.306 nan 8.310 nan 0.000 0.510 179 E N 1.469 121.625 120.200 -0.072 0.000 2.207 179 E HA 0.285 4.635 4.350 -0.000 0.000 0.250 179 E C -0.457 176.113 176.600 -0.050 0.000 0.890 179 E CA -0.259 56.114 56.400 -0.046 0.000 0.749 179 E CB 1.393 31.052 29.700 -0.068 0.000 1.193 179 E HN 0.342 nan 8.360 nan 0.000 0.423 180 E N 1.145 121.370 120.200 0.042 0.000 2.209 180 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 180 E C 1.147 177.733 176.600 -0.022 0.000 0.993 180 E CA 1.001 57.442 56.400 0.069 0.000 0.819 180 E CB -0.004 29.845 29.700 0.248 0.000 0.745 180 E HN 0.509 nan 8.360 nan 0.000 0.477 181 Y N 1.017 121.142 120.300 -0.292 0.000 2.439 181 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 181 Y C 2.165 177.846 175.900 -0.365 0.000 1.130 181 Y CA 1.162 58.918 58.100 -0.573 0.000 1.254 181 Y CB -0.416 37.594 38.460 -0.751 0.000 1.000 181 Y HN -0.025 nan 8.280 nan 0.000 0.554 182 G N -0.099 108.494 108.800 -0.345 0.000 2.414 182 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.215 182 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.215 182 G C 1.737 176.167 174.900 -0.783 0.000 1.188 182 G CA 0.909 45.672 45.100 -0.562 0.000 0.783 182 G HN 0.316 nan 8.290 nan 0.000 0.537 183 R N 0.575 120.732 120.500 -0.571 0.000 2.096 183 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 183 R C 2.507 178.644 176.300 -0.271 0.000 1.127 183 R CA 2.089 57.923 56.100 -0.442 0.000 0.968 183 R CB -0.806 29.353 30.300 -0.236 0.000 0.861 183 R HN 0.511 nan 8.270 nan 0.000 0.440 184 Q N -0.796 118.841 119.800 -0.273 0.000 2.096 184 Q HA -0.149 4.190 4.340 -0.000 0.000 0.204 184 Q C 1.383 177.276 176.000 -0.179 0.000 0.982 184 Q CA 2.262 57.934 55.803 -0.218 0.000 0.850 184 Q CB -0.166 28.428 28.738 -0.241 0.000 0.901 184 Q HN 0.390 nan 8.270 nan 0.000 0.422 185 T N 0.525 114.879 114.554 -0.333 0.000 2.821 185 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 185 T C 1.234 176.068 174.700 0.223 0.000 1.046 185 T CA 0.901 62.896 62.100 -0.175 0.000 1.139 185 T CB -0.203 68.490 68.868 -0.292 0.000 0.871 185 T HN 0.243 nan 8.240 nan 0.000 0.454 186 F N 2.054 122.006 119.950 0.004 0.000 2.134 186 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 186 F C 2.802 178.722 175.800 0.199 0.000 1.097 186 F CA 0.769 58.839 58.000 0.117 0.000 1.264 186 F CB -1.675 37.313 39.000 -0.020 0.000 1.001 186 F HN 0.139 nan 8.300 nan 0.000 0.479 187 T N -1.544 113.198 114.554 0.313 0.000 2.708 187 T HA -0.263 4.087 4.350 -0.000 0.000 0.266 187 T C 1.889 176.881 174.700 0.486 0.000 1.037 187 T CA 1.775 64.058 62.100 0.304 0.000 1.146 187 T CB -0.742 68.118 68.868 -0.013 0.000 0.865 187 T HN 0.467 nan 8.240 nan 0.000 0.435 188 H N 1.064 120.247 119.070 0.188 0.000 2.289 188 H HA -0.106 4.449 4.556 -0.000 0.000 0.296 188 H C 2.084 177.403 175.328 -0.016 0.000 1.091 188 H CA 1.131 57.232 56.048 0.087 0.000 1.274 188 H CB 0.179 29.950 29.762 0.016 0.000 1.364 188 H HN 0.035 nan 8.280 nan 0.000 0.490 189 K N 0.605 121.118 120.400 0.187 0.000 2.103 189 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 189 K C 2.359 179.028 176.600 0.115 0.000 1.052 189 K CA 0.718 57.061 56.287 0.094 0.000 0.945 189 K CB -0.306 32.268 32.500 0.123 0.000 0.722 189 K HN 0.435 nan 8.250 nan 0.000 0.443 190 I N 0.880 121.569 120.570 0.199 0.000 2.286 190 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 190 I C 2.334 178.400 176.117 -0.085 0.000 1.115 190 I CA 1.399 62.747 61.300 0.080 0.000 1.392 190 I CB -0.588 37.529 38.000 0.196 0.000 1.065 190 I HN 0.217 nan 8.210 nan 0.000 0.418 191 G N 0.055 108.817 108.800 -0.062 0.000 2.469 191 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 191 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 191 G C 1.512 176.336 174.900 -0.126 0.000 1.150 191 G CA 0.942 45.830 45.100 -0.352 0.000 0.763 191 G HN 0.364 nan 8.290 nan 0.000 0.561 192 H N 0.718 119.819 119.070 0.052 0.000 2.389 192 H HA 0.077 4.633 4.556 -0.000 0.000 0.299 192 H C 2.855 178.239 175.328 0.093 0.000 1.081 192 H CA 1.006 57.101 56.048 0.077 0.000 1.345 192 H CB -0.623 29.101 29.762 -0.063 0.000 1.393 192 H HN 0.389 nan 8.280 nan 0.000 0.520 193 A N 0.454 123.370 122.820 0.161 0.000 2.216 193 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 193 A C 2.270 180.000 177.584 0.244 0.000 1.160 193 A CA 0.593 52.730 52.037 0.166 0.000 0.725 193 A CB -0.487 18.567 19.000 0.089 0.000 0.784 193 A HN 0.308 nan 8.150 nan 0.000 0.472 194 L N -2.593 118.711 121.223 0.136 0.000 2.638 194 L HA 0.300 4.640 4.340 -0.000 0.000 0.232 194 L C 1.559 178.525 176.870 0.160 0.000 1.099 194 L CA 0.689 55.651 54.840 0.203 0.000 0.883 194 L CB 0.465 42.505 42.059 -0.033 0.000 1.136 194 L HN 0.517 nan 8.230 nan 0.000 0.492 195 G N -0.085 108.772 108.800 0.095 0.000 2.273 195 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.162 195 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.162 195 G C 0.028 174.938 174.900 0.016 0.000 1.006 195 G CA -0.630 44.473 45.100 0.006 0.000 0.704 195 G HN 0.066 nan 8.290 nan 0.000 0.487 196 L N 1.129 122.417 121.223 0.108 0.000 2.375 196 L HA 0.795 5.135 4.340 -0.000 0.000 0.271 196 L C 0.776 177.844 176.870 0.330 0.000 1.107 196 L CA -0.350 54.569 54.840 0.131 0.000 0.806 196 L CB 1.563 43.664 42.059 0.070 0.000 1.146 196 L HN 0.275 nan 8.230 nan 0.000 0.447 197 A N 0.550 123.515 122.820 0.241 0.000 2.322 197 A HA 0.512 4.832 4.320 -0.000 0.000 0.327 197 A C -0.754 176.983 177.584 0.255 0.000 1.134 197 A CA -0.645 51.553 52.037 0.267 0.000 0.831 197 A CB 0.352 19.456 19.000 0.173 0.000 1.288 197 A HN 0.800 nan 8.150 nan 0.000 0.472 198 H N 1.173 120.438 119.070 0.326 0.000 3.094 198 H HA 0.042 4.598 4.556 -0.000 0.000 0.320 198 H C -1.552 173.906 175.328 0.217 0.000 1.000 198 H CA -0.812 55.332 56.048 0.160 0.000 1.413 198 H CB 0.304 30.103 29.762 0.062 0.000 1.405 198 H HN 0.418 nan 8.280 nan 0.000 0.586 199 P HA -0.153 nan 4.420 nan 0.000 0.217 199 P C 0.593 178.152 177.300 0.432 0.000 1.148 199 P CA 1.478 64.820 63.100 0.404 0.000 0.834 199 P CB 0.378 32.292 31.700 0.357 0.000 0.783 200 G N -0.882 108.180 108.800 0.436 0.000 2.481 200 G HA2 0.247 4.207 3.960 -0.000 0.000 0.315 200 G HA3 0.247 4.207 3.960 -0.000 0.000 0.315 200 G C -0.713 174.499 174.900 0.520 0.000 1.231 200 G CA -0.375 45.013 45.100 0.480 0.000 0.968 200 G HN -0.219 nan 8.290 nan 0.000 0.482 201 E N 0.996 121.405 120.200 0.349 0.000 2.053 201 E HA 0.166 4.516 4.350 -0.000 0.000 0.297 201 E C -1.001 175.535 176.600 -0.106 0.000 1.173 201 E CA 0.462 56.943 56.400 0.134 0.000 1.219 201 E CB -0.113 29.576 29.700 -0.017 0.000 1.103 201 E HN 0.376 nan 8.360 nan 0.000 0.476 202 Y N -0.001 120.470 120.300 0.286 0.000 2.644 202 Y HA 0.379 4.929 4.550 -0.000 0.000 0.338 202 Y C 0.347 176.406 175.900 0.265 0.000 1.119 202 Y CA -1.091 57.101 58.100 0.153 0.000 1.060 202 Y CB 1.743 40.175 38.460 -0.046 0.000 1.294 202 Y HN 0.084 nan 8.280 nan 0.000 0.472 203 N N 0.575 119.422 118.700 0.245 0.000 2.406 203 N HA 0.492 5.232 4.740 -0.000 0.000 0.283 203 N C -1.417 174.148 175.510 0.092 0.000 1.074 203 N CA -0.408 52.808 53.050 0.276 0.000 0.916 203 N CB 2.178 40.781 38.487 0.194 0.000 1.639 203 N HN 0.888 nan 8.380 nan 0.000 0.485 204 A N 1.338 124.239 122.820 0.134 0.000 2.573 204 A HA 0.397 4.717 4.320 -0.000 0.000 0.250 204 A C 1.364 178.976 177.584 0.046 0.000 1.049 204 A CA 1.389 53.468 52.037 0.070 0.000 0.767 204 A CB -0.832 18.272 19.000 0.174 0.000 0.965 204 A HN 1.266 nan 8.150 nan 0.000 0.514 205 G N 1.929 110.741 108.800 0.020 0.000 2.184 205 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.206 205 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.206 205 G C -0.203 174.703 174.900 0.009 0.000 0.995 205 G CA 0.163 45.271 45.100 0.013 0.000 0.651 205 G HN 0.834 nan 8.290 nan 0.000 0.511 206 E N 0.716 120.928 120.200 0.019 0.000 2.121 206 E HA 0.503 4.853 4.350 -0.000 0.000 0.255 206 E C 1.105 177.736 176.600 0.051 0.000 0.906 206 E CA -0.068 56.351 56.400 0.032 0.000 0.745 206 E CB 1.069 30.794 29.700 0.041 0.000 1.155 206 E HN 1.213 nan 8.360 nan 0.000 0.424 207 G N 3.933 112.754 108.800 0.035 0.000 2.574 207 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.286 207 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.286 207 G C -0.371 174.548 174.900 0.032 0.000 1.212 207 G CA 0.303 45.426 45.100 0.038 0.000 0.979 207 G HN 0.717 nan 8.290 nan 0.000 0.557 208 D N 0.500 120.920 120.400 0.033 0.000 2.735 208 D HA 0.383 5.023 4.640 -0.000 0.000 0.291 208 D C -2.113 174.185 176.300 -0.003 0.000 1.205 208 D CA -0.682 53.328 54.000 0.017 0.000 0.777 208 D CB 0.798 41.604 40.800 0.010 0.000 1.234 208 D HN 0.581 nan 8.370 nan 0.000 0.520 209 P HA 0.270 nan 4.420 nan 0.000 0.273 209 P C -0.028 177.219 177.300 -0.088 0.000 1.250 209 P CA -0.088 62.924 63.100 -0.148 0.000 0.793 209 P CB 1.222 32.690 31.700 -0.386 0.000 1.011 210 S N -1.063 114.375 115.700 -0.437 0.000 2.671 210 S HA 0.184 4.654 4.470 -0.000 0.000 0.277 210 S C 0.610 174.230 174.600 -1.633 0.000 1.165 210 S CA -0.649 56.997 58.200 -0.923 0.000 0.822 210 S CB 0.559 63.475 63.200 -0.474 0.000 1.150 210 S HN 0.442 nan 8.310 nan 0.000 0.479 211 Y N 2.031 121.086 120.300 -2.075 0.000 2.298 211 Y HA -0.119 4.431 4.550 -0.000 0.000 0.287 211 Y C 1.792 177.203 175.900 -0.816 0.000 1.164 211 Y CA 2.303 59.384 58.100 -1.699 0.000 1.229 211 Y CB -0.557 37.275 38.460 -1.046 0.000 0.977 211 Y HN 0.702 nan 8.280 nan 0.000 0.538 212 N N 0.402 118.707 118.700 -0.658 0.000 2.364 212 N HA -0.158 4.581 4.740 -0.000 0.000 0.183 212 N C 0.782 176.029 175.510 -0.438 0.000 1.022 212 N CA 1.448 54.210 53.050 -0.479 0.000 0.883 212 N CB -0.267 38.050 38.487 -0.283 0.000 0.965 212 N HN 0.521 nan 8.380 nan 0.000 0.438 213 D N 0.826 120.941 120.400 -0.475 0.000 2.347 213 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 213 D C 0.593 176.786 176.300 -0.177 0.000 0.985 213 D CA 0.068 53.903 54.000 -0.274 0.000 0.879 213 D CB -0.139 40.430 40.800 -0.386 0.000 0.919 213 D HN 0.131 nan 8.370 nan 0.000 0.526 214 A N 0.666 123.252 122.820 -0.391 0.000 2.567 214 A HA 0.065 4.385 4.320 -0.000 0.000 0.240 214 A C 1.700 179.171 177.584 -0.188 0.000 1.053 214 A CA -0.171 51.703 52.037 -0.271 0.000 0.755 214 A CB 0.546 19.179 19.000 -0.613 0.000 0.978 214 A HN 0.012 nan 8.150 nan 0.000 0.507 215 V N 2.373 122.272 119.914 -0.026 0.000 2.358 215 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 215 V C 0.838 176.867 176.094 -0.108 0.000 1.047 215 V CA 2.292 64.597 62.300 0.008 0.000 1.035 215 V CB -1.435 30.484 31.823 0.161 0.000 0.658 215 V HN 0.891 nan 8.190 nan 0.000 0.452 216 Y N -3.606 116.462 120.300 -0.388 0.000 2.576 216 Y HA 0.782 5.332 4.550 -0.000 0.000 0.346 216 Y C 0.954 176.678 175.900 -0.293 0.000 1.018 216 Y CA -0.662 57.117 58.100 -0.534 0.000 1.050 216 Y CB 1.411 39.140 38.460 -1.218 0.000 1.280 216 Y HN -0.164 nan 8.280 nan 0.000 0.474 217 A N 0.765 123.478 122.820 -0.177 0.000 1.972 217 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 217 A C 1.159 178.677 177.584 -0.109 0.000 1.169 217 A CA 1.776 53.760 52.037 -0.088 0.000 0.635 217 A CB -0.711 18.287 19.000 -0.005 0.000 0.810 217 A HN 0.847 nan 8.150 nan 0.000 0.446 218 E N 0.590 120.610 120.200 -0.300 0.000 2.359 218 E HA 0.073 4.423 4.350 -0.000 0.000 0.187 218 E C -0.393 175.987 176.600 -0.367 0.000 1.081 218 E CA -0.054 56.005 56.400 -0.569 0.000 0.929 218 E CB -0.005 29.158 29.700 -0.896 0.000 1.086 218 E HN 0.389 nan 8.360 nan 0.000 0.462 219 D N 1.381 121.506 120.400 -0.457 0.000 2.517 219 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 219 D C -0.781 175.672 176.300 0.255 0.000 1.158 219 D CA -0.130 53.738 54.000 -0.220 0.000 0.992 219 D CB -0.230 40.354 40.800 -0.360 0.000 1.058 219 D HN 0.079 nan 8.370 nan 0.000 0.516 220 S N 1.812 117.678 115.700 0.276 0.000 2.611 220 S HA 0.206 4.676 4.470 -0.000 0.000 0.268 220 S C 0.810 175.591 174.600 0.302 0.000 1.156 220 S CA -0.823 57.517 58.200 0.233 0.000 0.817 220 S CB 0.196 63.468 63.200 0.119 0.000 1.122 220 S HN 0.297 nan 8.310 nan 0.000 0.466 221 Y N 0.636 121.014 120.300 0.129 0.000 2.384 221 Y HA -0.204 4.345 4.550 -0.000 0.000 0.289 221 Y C 2.766 178.744 175.900 0.129 0.000 1.152 221 Y CA 1.242 59.420 58.100 0.130 0.000 1.258 221 Y CB 0.006 38.541 38.460 0.126 0.000 0.979 221 Y HN 0.806 nan 8.280 nan 0.000 0.549 222 Q N 0.024 119.920 119.800 0.161 0.000 2.224 222 Q HA -0.180 4.160 4.340 -0.000 0.000 0.203 222 Q C 0.977 176.882 176.000 -0.157 0.000 0.970 222 Q CA 1.585 57.330 55.803 -0.097 0.000 0.865 222 Q CB -0.051 28.325 28.738 -0.604 0.000 0.922 222 Q HN 0.508 nan 8.270 nan 0.000 0.445 223 F N -1.236 118.849 119.950 0.224 0.000 2.637 223 F HA 0.282 4.809 4.527 -0.000 0.000 0.284 223 F C 0.597 176.549 175.800 0.253 0.000 1.105 223 F CA -0.218 57.946 58.000 0.274 0.000 1.356 223 F CB 1.121 40.266 39.000 0.240 0.000 1.096 223 F HN -0.149 nan 8.300 nan 0.000 0.616 224 S N 0.079 116.025 115.700 0.409 0.000 2.619 224 S HA 0.347 4.817 4.470 -0.000 0.000 0.280 224 S C 0.221 174.959 174.600 0.230 0.000 1.150 224 S CA -0.611 57.770 58.200 0.301 0.000 0.978 224 S CB 1.101 64.481 63.200 0.301 0.000 1.041 224 S HN 0.283 nan 8.310 nan 0.000 0.485 225 I N 3.370 124.020 120.570 0.132 0.000 3.176 225 I HA -0.015 4.155 4.170 -0.000 0.000 0.275 225 I C 0.921 176.963 176.117 -0.125 0.000 1.298 225 I CA 0.742 62.054 61.300 0.021 0.000 1.445 225 I CB -0.048 37.934 38.000 -0.029 0.000 1.075 225 I HN 0.727 nan 8.210 nan 0.000 0.482 226 C N -0.183 119.049 119.300 -0.114 0.000 2.791 226 C HA 0.141 4.600 4.460 -0.000 0.000 0.270 226 C C 1.505 176.360 174.990 -0.225 0.000 1.257 226 C CA -0.294 58.484 59.018 -0.401 0.000 1.699 226 C CB -1.265 26.415 27.740 -0.100 0.000 1.904 226 C HN 0.481 nan 8.230 nan 0.000 0.603 227 S N -0.864 114.821 115.700 -0.026 0.000 2.585 227 S HA 0.180 4.649 4.470 -0.000 0.000 0.273 227 S C 0.639 175.075 174.600 -0.273 0.000 1.339 227 S CA -0.126 58.029 58.200 -0.075 0.000 1.028 227 S CB 0.376 63.636 63.200 0.101 0.000 0.906 227 S HN 0.566 nan 8.310 nan 0.000 0.528 228 Y N 1.393 121.338 120.300 -0.591 0.000 2.314 228 Y HA 0.053 4.603 4.550 -0.000 0.000 0.293 228 Y C 0.468 175.752 175.900 -1.027 0.000 1.129 228 Y CA 0.483 57.958 58.100 -1.042 0.000 1.201 228 Y CB 0.163 37.450 38.460 -1.954 0.000 0.999 228 Y HN 0.595 nan 8.280 nan 0.000 0.541 229 W N 0.124 121.381 121.300 -0.071 0.000 2.512 229 W HA 0.546 5.206 4.660 -0.000 0.000 0.335 229 W C 0.541 176.640 176.519 -0.699 0.000 1.088 229 W CA -1.384 55.803 57.345 -0.262 0.000 1.236 229 W CB 0.547 29.971 29.460 -0.059 0.000 1.307 229 W HN -0.185 nan 8.180 nan 0.000 0.567 230 G N 1.318 109.876 108.800 -0.402 0.000 2.569 230 G HA2 0.033 3.993 3.960 -0.000 0.000 0.249 230 G HA3 0.033 3.993 3.960 -0.000 0.000 0.249 230 G C 0.941 175.644 174.900 -0.329 0.000 1.216 230 G CA -0.386 44.400 45.100 -0.523 0.000 0.845 230 G HN 0.690 nan 8.290 nan 0.000 0.568 231 E N 0.568 120.605 120.200 -0.273 0.000 2.268 231 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 231 E C 1.623 178.016 176.600 -0.346 0.000 0.995 231 E CA 1.416 57.601 56.400 -0.358 0.000 0.836 231 E CB -0.509 28.689 29.700 -0.838 0.000 0.763 231 E HN 0.711 nan 8.360 nan 0.000 0.491 232 N N 1.249 119.769 118.700 -0.301 0.000 2.309 232 N HA -0.171 4.569 4.740 -0.000 0.000 0.182 232 N C 1.534 176.889 175.510 -0.259 0.000 1.018 232 N CA 1.051 53.957 53.050 -0.239 0.000 0.876 232 N CB -0.136 38.239 38.487 -0.186 0.000 0.972 232 N HN 0.045 nan 8.380 nan 0.000 0.434 233 E N 0.005 119.990 120.200 -0.358 0.000 2.265 233 E HA -0.117 4.232 4.350 -0.000 0.000 0.196 233 E C 1.031 177.313 176.600 -0.529 0.000 0.996 233 E CA 1.600 57.638 56.400 -0.603 0.000 0.832 233 E CB -0.341 28.704 29.700 -1.093 0.000 0.756 233 E HN 0.776 nan 8.360 nan 0.000 0.491 234 T N -3.594 110.788 114.554 -0.287 0.000 3.134 234 T HA 0.449 4.799 4.350 -0.000 0.000 0.260 234 T C 1.280 175.998 174.700 0.031 0.000 1.027 234 T CA 0.318 62.374 62.100 -0.073 0.000 0.913 234 T CB 0.856 69.792 68.868 0.114 0.000 1.046 234 T HN 0.198 nan 8.240 nan 0.000 0.553 235 G N 0.922 109.691 108.800 -0.052 0.000 2.176 235 G HA2 0.004 3.963 3.960 -0.000 0.000 0.232 235 G HA3 0.004 3.963 3.960 -0.000 0.000 0.232 235 G C 0.319 175.230 174.900 0.018 0.000 0.986 235 G CA -0.208 44.900 45.100 0.013 0.000 0.643 235 G HN 1.058 nan 8.290 nan 0.000 0.522 236 A N -0.496 122.259 122.820 -0.108 0.000 2.246 236 A HA 0.714 5.033 4.320 -0.000 0.000 0.291 236 A C -0.085 177.370 177.584 -0.215 0.000 1.103 236 A CA 0.491 52.436 52.037 -0.154 0.000 0.844 236 A CB 0.998 19.786 19.000 -0.353 0.000 1.136 236 A HN 0.659 nan 8.150 nan 0.000 0.500 237 D N -1.448 118.862 120.400 -0.151 0.000 2.591 237 D HA 0.305 4.944 4.640 -0.000 0.000 0.222 237 D C -1.499 174.877 176.300 0.125 0.000 1.360 237 D CA -0.264 53.669 54.000 -0.112 0.000 0.967 237 D CB 0.536 41.322 40.800 -0.023 0.000 1.456 237 D HN 0.273 nan 8.370 nan 0.000 0.588 238 Y N 2.417 122.694 120.300 -0.038 0.000 2.571 238 Y HA 0.237 4.787 4.550 -0.000 0.000 0.275 238 Y C 1.279 177.193 175.900 0.023 0.000 1.179 238 Y CA -0.817 57.267 58.100 -0.026 0.000 1.242 238 Y CB -0.869 37.573 38.460 -0.029 0.000 1.126 238 Y HN 0.510 nan 8.280 nan 0.000 0.524 239 N N 1.171 119.946 118.700 0.124 0.000 2.727 239 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 239 N C 1.132 176.652 175.510 0.016 0.000 1.048 239 N CA 1.333 54.432 53.050 0.082 0.000 0.714 239 N CB -1.063 37.499 38.487 0.124 0.000 0.959 239 N HN 0.718 nan 8.380 nan 0.000 0.544 240 G N -1.744 107.010 108.800 -0.077 0.000 2.162 240 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 240 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 240 G C 0.023 174.702 174.900 -0.367 0.000 0.976 240 G CA 0.627 45.593 45.100 -0.222 0.000 0.655 240 G HN 0.749 nan 8.290 nan 0.000 0.533 241 H N -1.188 117.791 119.070 -0.152 0.000 2.508 241 H HA 0.599 5.155 4.556 -0.000 0.000 0.344 241 H C -0.652 174.521 175.328 -0.259 0.000 1.192 241 H CA -0.114 55.861 56.048 -0.121 0.000 1.290 241 H CB 1.121 30.867 29.762 -0.027 0.000 1.571 241 H HN 0.183 nan 8.280 nan 0.000 0.555 242 Y N -0.791 119.638 120.300 0.215 0.000 2.350 242 Y HA 0.297 4.847 4.550 -0.000 0.000 0.338 242 Y C 0.855 176.777 175.900 0.037 0.000 0.961 242 Y CA -0.846 57.333 58.100 0.130 0.000 1.100 242 Y CB 1.724 40.253 38.460 0.115 0.000 1.179 242 Y HN 0.725 nan 8.280 nan 0.000 0.454 243 G N 0.459 109.326 108.800 0.111 0.000 2.483 243 G HA2 0.387 4.347 3.960 -0.000 0.000 0.248 243 G HA3 0.387 4.347 3.960 -0.000 0.000 0.248 243 G C 0.729 175.591 174.900 -0.063 0.000 1.248 243 G CA -0.087 44.998 45.100 -0.024 0.000 0.838 243 G HN 0.923 nan 8.290 nan 0.000 0.566 244 G N -0.296 108.424 108.800 -0.132 0.000 3.159 244 G HA2 0.534 4.494 3.960 -0.000 0.000 0.232 244 G HA3 0.534 4.494 3.960 -0.000 0.000 0.232 244 G C 0.415 175.079 174.900 -0.393 0.000 1.116 244 G CA 0.839 45.821 45.100 -0.197 0.000 0.767 244 G HN 1.008 nan 8.290 nan 0.000 0.547 245 A N 0.066 122.570 122.820 -0.526 0.000 2.430 245 A HA 0.866 5.185 4.320 -0.000 0.000 0.300 245 A C -2.926 174.309 177.584 -0.582 0.000 1.124 245 A CA -1.593 49.944 52.037 -0.835 0.000 0.766 245 A CB 1.236 19.209 19.000 -1.713 0.000 1.328 245 A HN -0.004 nan 8.150 nan 0.000 0.424 246 P HA 0.132 nan 4.420 nan 0.000 0.264 246 P C -0.243 176.939 177.300 -0.196 0.000 1.183 246 P CA 0.413 63.197 63.100 -0.526 0.000 0.763 246 P CB 0.233 31.475 31.700 -0.764 0.000 0.807 247 M N 2.589 122.170 119.600 -0.031 0.000 2.531 247 M HA 0.270 4.750 4.480 -0.000 0.000 0.262 247 M C 1.785 178.176 176.300 0.152 0.000 1.168 247 M CA -0.805 54.542 55.300 0.079 0.000 0.926 247 M CB -0.011 32.673 32.600 0.140 0.000 1.445 247 M HN 0.321 nan 8.290 nan 0.000 0.531 248 I N 1.030 121.714 120.570 0.189 0.000 2.208 248 I HA -0.316 3.853 4.170 -0.000 0.000 0.245 248 I C 1.256 177.533 176.117 0.267 0.000 1.097 248 I CA 1.866 63.296 61.300 0.216 0.000 1.363 248 I CB 0.028 38.142 38.000 0.190 0.000 1.051 248 I HN 0.575 nan 8.210 nan 0.000 0.413 249 D N 0.669 121.268 120.400 0.332 0.000 2.234 249 D HA -0.140 4.500 4.640 -0.000 0.000 0.205 249 D C 1.758 178.219 176.300 0.267 0.000 0.962 249 D CA 0.864 55.048 54.000 0.306 0.000 0.855 249 D CB -0.322 40.700 40.800 0.369 0.000 0.951 249 D HN 0.424 nan 8.370 nan 0.000 0.500 250 D N 0.453 121.019 120.400 0.277 0.000 2.144 250 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 250 D C 2.279 178.775 176.300 0.327 0.000 0.978 250 D CA 0.427 54.625 54.000 0.329 0.000 0.833 250 D CB -0.020 40.986 40.800 0.343 0.000 0.961 250 D HN 0.276 nan 8.370 nan 0.000 0.470 251 I N 1.441 122.147 120.570 0.227 0.000 2.179 251 I HA -0.244 3.925 4.170 -0.000 0.000 0.242 251 I C 2.565 178.764 176.117 0.136 0.000 1.088 251 I CA 1.071 62.469 61.300 0.163 0.000 1.357 251 I CB -0.189 37.886 38.000 0.126 0.000 1.051 251 I HN -0.086 nan 8.210 nan 0.000 0.409 252 A N 0.575 123.489 122.820 0.158 0.000 1.933 252 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 252 A C 2.513 180.166 177.584 0.115 0.000 1.175 252 A CA 1.782 53.894 52.037 0.125 0.000 0.628 252 A CB -0.787 18.286 19.000 0.122 0.000 0.814 252 A HN 0.433 nan 8.150 nan 0.000 0.444 253 A N -0.358 122.553 122.820 0.151 0.000 1.873 253 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 253 A C 2.090 179.759 177.584 0.142 0.000 1.186 253 A CA 1.662 53.782 52.037 0.138 0.000 0.616 253 A CB -0.553 18.548 19.000 0.169 0.000 0.823 253 A HN 0.573 nan 8.150 nan 0.000 0.442 254 I N -0.101 120.589 120.570 0.201 0.000 2.394 254 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 254 I C 2.361 178.605 176.117 0.212 0.000 1.136 254 I CA 1.528 62.964 61.300 0.227 0.000 1.425 254 I CB -0.309 37.885 38.000 0.324 0.000 1.079 254 I HN 0.414 nan 8.210 nan 0.000 0.425 255 Q N -0.289 119.587 119.800 0.127 0.000 2.167 255 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 255 Q C 2.325 178.376 176.000 0.084 0.000 0.970 255 Q CA 1.209 57.054 55.803 0.070 0.000 0.855 255 Q CB -0.269 28.452 28.738 -0.029 0.000 0.911 255 Q HN 0.477 nan 8.270 nan 0.000 0.438 256 R N 0.770 121.318 120.500 0.080 0.000 2.081 256 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 256 R C 1.995 178.363 176.300 0.113 0.000 1.131 256 R CA 1.037 57.183 56.100 0.075 0.000 0.960 256 R CB -0.070 30.259 30.300 0.048 0.000 0.856 256 R HN 0.238 nan 8.270 nan 0.000 0.436 257 L N -1.084 120.153 121.223 0.024 0.000 2.068 257 L HA -0.098 4.242 4.340 -0.000 0.000 0.204 257 L C 1.324 177.978 176.870 -0.360 0.000 1.076 257 L CA 1.226 55.915 54.840 -0.252 0.000 0.753 257 L CB -0.149 41.557 42.059 -0.589 0.000 0.910 257 L HN 0.241 nan 8.230 nan 0.000 0.439 258 Y N -0.801 119.533 120.300 0.057 0.000 2.500 258 Y HA 0.447 4.997 4.550 -0.000 0.000 0.246 258 Y C 1.023 176.944 175.900 0.034 0.000 1.146 258 Y CA 0.057 58.179 58.100 0.037 0.000 1.230 258 Y CB 0.792 39.264 38.460 0.020 0.000 1.214 258 Y HN 0.146 nan 8.280 nan 0.000 0.526 259 G N 1.044 109.938 108.800 0.156 0.000 2.692 259 G HA2 0.138 4.098 3.960 -0.000 0.000 0.686 259 G HA3 0.138 4.098 3.960 -0.000 0.000 0.686 259 G C -0.548 174.394 174.900 0.070 0.000 1.243 259 G CA -0.839 44.327 45.100 0.110 0.000 0.782 259 G HN 0.511 nan 8.290 nan 0.000 0.625 260 A N 1.064 123.911 122.820 0.045 0.000 2.354 260 A HA 0.662 4.982 4.320 -0.000 0.000 0.269 260 A C 0.637 178.278 177.584 0.095 0.000 1.109 260 A CA -0.080 51.935 52.037 -0.037 0.000 0.800 260 A CB 0.726 19.764 19.000 0.064 0.000 1.045 260 A HN 1.225 nan 8.150 nan 0.000 0.489 261 N N 2.786 121.539 118.700 0.090 0.000 2.439 261 N HA 0.149 4.889 4.740 -0.000 0.000 0.243 261 N C 0.311 176.093 175.510 0.454 0.000 1.088 261 N CA -0.320 52.867 53.050 0.228 0.000 0.940 261 N CB 0.486 39.084 38.487 0.185 0.000 1.180 261 N HN 0.495 nan 8.380 nan 0.000 0.505 262 M N 1.596 121.389 119.600 0.321 0.000 2.568 262 M HA 0.023 4.503 4.480 -0.000 0.000 0.226 262 M C 1.233 177.640 176.300 0.178 0.000 1.148 262 M CA 0.366 55.831 55.300 0.274 0.000 1.007 262 M CB -1.344 31.369 32.600 0.189 0.000 1.651 262 M HN 0.469 nan 8.290 nan 0.000 0.488 263 T N -3.614 111.051 114.554 0.185 0.000 3.069 263 T HA 0.135 4.485 4.350 -0.000 0.000 0.252 263 T C 0.635 175.414 174.700 0.131 0.000 1.053 263 T CA -0.132 62.042 62.100 0.123 0.000 0.964 263 T CB -0.203 68.726 68.868 0.101 0.000 1.005 263 T HN 0.107 nan 8.240 nan 0.000 0.532 264 T N 3.541 118.216 114.554 0.202 0.000 2.749 264 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 264 T C 0.219 174.969 174.700 0.083 0.000 0.936 264 T CA -0.519 61.698 62.100 0.196 0.000 1.060 264 T CB 0.417 69.521 68.868 0.393 0.000 0.904 264 T HN 0.371 nan 8.240 nan 0.000 0.500 265 R N 1.281 121.813 120.500 0.053 0.000 3.264 265 R HA -0.176 4.163 4.340 -0.000 0.000 0.251 265 R C 1.266 177.541 176.300 -0.041 0.000 0.971 265 R CA 0.790 56.886 56.100 -0.006 0.000 0.658 265 R CB -2.087 28.214 30.300 0.001 0.000 1.095 265 R HN 0.910 nan 8.270 nan 0.000 0.443 266 T N -3.719 110.818 114.554 -0.028 0.000 3.113 266 T HA 0.100 4.450 4.350 -0.000 0.000 0.256 266 T C 1.289 175.962 174.700 -0.046 0.000 1.131 266 T CA 0.413 62.488 62.100 -0.041 0.000 1.074 266 T CB 0.468 69.326 68.868 -0.018 0.000 0.944 266 T HN 0.464 nan 8.240 nan 0.000 0.516 267 G N 0.683 109.455 108.800 -0.047 0.000 2.494 267 G HA2 0.402 4.362 3.960 -0.000 0.000 0.270 267 G HA3 0.402 4.362 3.960 -0.000 0.000 0.270 267 G C -1.005 173.854 174.900 -0.068 0.000 1.423 267 G CA -0.714 44.354 45.100 -0.054 0.000 1.055 267 G HN 0.236 nan 8.290 nan 0.000 0.536 268 D N 0.312 120.669 120.400 -0.071 0.000 2.352 268 D HA 0.434 5.073 4.640 -0.000 0.000 0.245 268 D C -0.154 176.079 176.300 -0.112 0.000 1.224 268 D CA 0.368 54.322 54.000 -0.077 0.000 0.879 268 D CB 0.940 41.701 40.800 -0.066 0.000 1.057 268 D HN 0.101 nan 8.370 nan 0.000 0.491 269 S N 1.010 116.631 115.700 -0.132 0.000 2.475 269 S HA 0.541 5.011 4.470 -0.000 0.000 0.298 269 S C -0.109 174.289 174.600 -0.337 0.000 1.119 269 S CA -0.858 57.176 58.200 -0.277 0.000 1.085 269 S CB 1.761 64.770 63.200 -0.318 0.000 1.028 269 S HN 0.123 nan 8.310 nan 0.000 0.489 270 V N 3.757 123.406 119.914 -0.442 0.000 2.417 270 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 270 V C -1.320 174.462 176.094 -0.520 0.000 1.024 270 V CA -0.633 61.478 62.300 -0.315 0.000 0.861 270 V CB 0.524 32.250 31.823 -0.162 0.000 0.985 270 V HN 0.825 nan 8.190 nan 0.000 0.436 271 Y N 2.900 123.163 120.300 -0.061 0.000 2.377 271 Y HA 0.790 5.340 4.550 -0.000 0.000 0.339 271 Y C 0.968 176.889 175.900 0.035 0.000 1.011 271 Y CA 0.766 58.807 58.100 -0.098 0.000 1.093 271 Y CB 2.000 40.402 38.460 -0.096 0.000 1.201 271 Y HN 0.943 nan 8.280 nan 0.000 0.455 272 G N 1.731 110.657 108.800 0.210 0.000 2.826 272 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.233 272 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.233 272 G C -0.779 174.087 174.900 -0.056 0.000 1.296 272 G CA -0.837 44.404 45.100 0.234 0.000 1.001 272 G HN 0.393 nan 8.290 nan 0.000 0.576 273 F N 2.672 122.668 119.950 0.077 0.000 2.410 273 F HA 0.481 5.008 4.527 -0.000 0.000 0.334 273 F C 1.572 177.351 175.800 -0.034 0.000 1.134 273 F CA 0.628 58.618 58.000 -0.016 0.000 1.227 273 F CB 0.555 39.519 39.000 -0.060 0.000 1.194 273 F HN 0.521 nan 8.300 nan 0.000 0.571 274 N N 0.100 118.876 118.700 0.126 0.000 2.721 274 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 274 N C -0.215 175.277 175.510 -0.029 0.000 1.072 274 N CA 0.699 53.770 53.050 0.036 0.000 0.710 274 N CB -1.252 37.256 38.487 0.035 0.000 0.993 274 N HN 0.473 nan 8.380 nan 0.000 0.547 275 S N 0.773 116.438 115.700 -0.059 0.000 2.585 275 S HA 0.262 4.732 4.470 -0.000 0.000 0.273 275 S C 1.211 175.721 174.600 -0.149 0.000 1.339 275 S CA -0.231 57.887 58.200 -0.136 0.000 1.028 275 S CB 0.565 63.674 63.200 -0.153 0.000 0.906 275 S HN 0.455 nan 8.310 nan 0.000 0.528 276 N N 1.334 119.908 118.700 -0.210 0.000 2.235 276 N HA 0.030 4.769 4.740 -0.000 0.000 0.231 276 N C 0.915 176.307 175.510 -0.197 0.000 1.177 276 N CA 0.323 53.269 53.050 -0.173 0.000 0.874 276 N CB -0.378 38.017 38.487 -0.153 0.000 1.097 276 N HN 0.591 nan 8.380 nan 0.000 0.518 277 T N -3.500 110.906 114.554 -0.247 0.000 2.985 277 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 277 T C 0.546 175.172 174.700 -0.123 0.000 1.076 277 T CA 0.770 62.742 62.100 -0.214 0.000 1.135 277 T CB -0.471 68.265 68.868 -0.221 0.000 0.890 277 T HN 0.195 nan 8.240 nan 0.000 0.480 278 D N 0.881 121.210 120.400 -0.119 0.000 2.751 278 D HA -0.147 4.492 4.640 -0.000 0.000 0.233 278 D C -0.829 175.399 176.300 -0.119 0.000 1.149 278 D CA 0.443 54.387 54.000 -0.093 0.000 0.682 278 D CB -0.773 39.992 40.800 -0.059 0.000 1.068 278 D HN 0.393 nan 8.370 nan 0.000 0.429 279 R N 0.345 120.727 120.500 -0.196 0.000 2.476 279 R HA 0.204 4.544 4.340 -0.000 0.000 0.305 279 R C 1.128 177.184 176.300 -0.406 0.000 0.965 279 R CA -0.141 55.729 56.100 -0.383 0.000 0.867 279 R CB 1.449 31.295 30.300 -0.757 0.000 1.176 279 R HN 0.134 nan 8.270 nan 0.000 0.447 280 D N 3.029 123.278 120.400 -0.252 0.000 2.158 280 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 280 D C 1.343 177.556 176.300 -0.144 0.000 0.995 280 D CA 1.608 55.525 54.000 -0.139 0.000 0.846 280 D CB -0.342 40.440 40.800 -0.031 0.000 0.941 280 D HN 0.592 nan 8.370 nan 0.000 0.456 281 F N -1.531 118.319 119.950 -0.166 0.000 2.661 281 F HA 0.184 4.710 4.527 -0.000 0.000 0.298 281 F C 1.569 177.272 175.800 -0.160 0.000 1.137 281 F CA -0.114 57.776 58.000 -0.183 0.000 1.454 281 F CB -0.960 37.884 39.000 -0.260 0.000 1.103 281 F HN -0.094 nan 8.300 nan 0.000 0.577 282 Y N 0.291 120.317 120.300 -0.458 0.000 2.458 282 Y HA 0.283 4.833 4.550 -0.000 0.000 0.256 282 Y C 0.250 176.021 175.900 -0.216 0.000 1.159 282 Y CA -0.496 57.347 58.100 -0.428 0.000 1.261 282 Y CB 0.474 38.638 38.460 -0.493 0.000 1.119 282 Y HN -0.117 nan 8.280 nan 0.000 0.524 283 T N 1.250 115.771 114.554 -0.054 0.000 2.792 283 T HA 0.679 5.029 4.350 -0.000 0.000 0.280 283 T C -0.582 174.028 174.700 -0.150 0.000 0.990 283 T CA -0.615 61.425 62.100 -0.101 0.000 0.960 283 T CB 1.388 70.185 68.868 -0.119 0.000 0.939 283 T HN 0.142 nan 8.240 nan 0.000 0.439 284 A N 2.039 124.673 122.820 -0.310 0.000 2.304 284 A HA 0.614 4.934 4.320 -0.000 0.000 0.314 284 A C 1.110 178.445 177.584 -0.415 0.000 1.187 284 A CA -0.710 51.026 52.037 -0.501 0.000 0.810 284 A CB 0.685 19.034 19.000 -1.085 0.000 1.183 284 A HN 0.864 nan 8.150 nan 0.000 0.487 285 T N -1.474 112.978 114.554 -0.169 0.000 3.044 285 T HA 0.332 4.681 4.350 -0.000 0.000 0.250 285 T C 0.143 174.903 174.700 0.100 0.000 1.081 285 T CA 0.838 62.928 62.100 -0.017 0.000 1.040 285 T CB -0.563 68.298 68.868 -0.010 0.000 0.962 285 T HN 0.802 nan 8.240 nan 0.000 0.506 286 D N -0.361 120.109 120.400 0.116 0.000 2.713 286 D HA 0.314 4.954 4.640 -0.000 0.000 0.306 286 D C 0.851 177.334 176.300 0.305 0.000 1.299 286 D CA -0.205 53.946 54.000 0.252 0.000 0.823 286 D CB 0.584 41.459 40.800 0.125 0.000 1.353 286 D HN -0.060 nan 8.370 nan 0.000 0.447 287 S N -0.862 114.999 115.700 0.267 0.000 2.500 287 S HA -0.140 4.330 4.470 -0.000 0.000 0.239 287 S C 1.513 176.311 174.600 0.329 0.000 0.989 287 S CA 1.109 59.495 58.200 0.310 0.000 0.951 287 S CB -0.852 62.466 63.200 0.197 0.000 0.759 287 S HN 0.606 nan 8.310 nan 0.000 0.523 288 S N 0.368 116.189 115.700 0.201 0.000 2.528 288 S HA 0.203 4.673 4.470 -0.000 0.000 0.219 288 S C 0.451 175.126 174.600 0.125 0.000 0.985 288 S CA -0.360 57.933 58.200 0.156 0.000 0.914 288 S CB -0.287 62.976 63.200 0.105 0.000 0.776 288 S HN 0.199 nan 8.310 nan 0.000 0.526 289 K N 2.953 123.424 120.400 0.117 0.000 2.451 289 K HA 0.436 4.755 4.320 -0.000 0.000 0.280 289 K C -0.100 176.508 176.600 0.014 0.000 1.020 289 K CA 0.125 56.428 56.287 0.027 0.000 1.008 289 K CB -0.019 32.453 32.500 -0.047 0.000 0.917 289 K HN 0.328 nan 8.250 nan 0.000 0.478 290 A N 4.738 127.443 122.820 -0.192 0.000 2.260 290 A HA 0.462 4.782 4.320 -0.000 0.000 0.308 290 A C -0.264 177.180 177.584 -0.233 0.000 1.254 290 A CA -0.701 51.130 52.037 -0.343 0.000 0.874 290 A CB 0.036 18.489 19.000 -0.912 0.000 1.153 290 A HN 0.631 nan 8.150 nan 0.000 0.527 291 L N 3.197 124.303 121.223 -0.196 0.000 2.289 291 L HA 0.571 4.911 4.340 -0.000 0.000 0.285 291 L C -0.577 176.101 176.870 -0.320 0.000 1.049 291 L CA -0.108 54.651 54.840 -0.135 0.000 0.804 291 L CB 1.265 43.279 42.059 -0.076 0.000 1.195 291 L HN 0.593 nan 8.230 nan 0.000 0.428 292 I N 4.892 125.331 120.570 -0.218 0.000 2.531 292 I HA 0.382 4.552 4.170 -0.000 0.000 0.283 292 I C -1.050 175.012 176.117 -0.091 0.000 1.083 292 I CA -0.341 60.726 61.300 -0.388 0.000 1.071 292 I CB 1.100 38.830 38.000 -0.452 0.000 1.210 292 I HN 0.418 nan 8.210 nan 0.000 0.450 293 F N 3.038 122.927 119.950 -0.102 0.000 2.693 293 F HA 0.710 5.237 4.527 -0.000 0.000 0.309 293 F C -1.077 174.748 175.800 0.042 0.000 1.129 293 F CA -1.216 56.795 58.000 0.019 0.000 0.948 293 F CB 1.563 40.700 39.000 0.228 0.000 1.315 293 F HN 0.127 nan 8.300 nan 0.000 0.447 294 S N 1.626 117.581 115.700 0.426 0.000 2.498 294 S HA 0.643 5.113 4.470 -0.000 0.000 0.317 294 S C -1.431 173.495 174.600 0.544 0.000 1.090 294 S CA -0.634 57.769 58.200 0.338 0.000 1.089 294 S CB 1.248 64.550 63.200 0.171 0.000 0.997 294 S HN 1.044 nan 8.310 nan 0.000 0.470 295 V N 7.626 127.854 119.914 0.524 0.000 2.546 295 V HA 0.528 4.648 4.120 -0.000 0.000 0.284 295 V C -0.606 175.673 176.094 0.309 0.000 1.050 295 V CA -0.621 61.875 62.300 0.326 0.000 0.981 295 V CB 0.969 32.696 31.823 -0.161 0.000 0.990 295 V HN 0.919 nan 8.190 nan 0.000 0.474 296 W N 7.447 128.840 121.300 0.154 0.000 2.529 296 W HA 0.567 5.226 4.660 -0.000 0.000 0.321 296 W C -1.346 175.221 176.519 0.081 0.000 1.047 296 W CA -0.654 56.764 57.345 0.122 0.000 1.216 296 W CB 1.675 31.247 29.460 0.186 0.000 1.357 296 W HN 0.663 nan 8.180 nan 0.000 0.489 297 D N 3.713 123.595 120.400 -0.863 0.000 2.966 297 D HA 0.354 4.994 4.640 -0.000 0.000 0.222 297 D C -0.671 175.149 176.300 -0.799 0.000 1.292 297 D CA -0.220 53.435 54.000 -0.574 0.000 0.907 297 D CB 2.326 42.963 40.800 -0.271 0.000 1.621 297 D HN 0.436 nan 8.370 nan 0.000 0.557 298 A N 2.042 124.551 122.820 -0.519 0.000 2.500 298 A HA 0.660 4.980 4.320 -0.000 0.000 0.267 298 A C 0.665 178.135 177.584 -0.190 0.000 1.290 298 A CA 0.525 52.333 52.037 -0.381 0.000 0.928 298 A CB 0.201 19.120 19.000 -0.134 0.000 1.066 298 A HN 0.648 nan 8.150 nan 0.000 0.516 299 G N -2.647 106.050 108.800 -0.172 0.000 2.340 299 G HA2 0.617 4.577 3.960 -0.000 0.000 0.298 299 G HA3 0.617 4.577 3.960 -0.000 0.000 0.298 299 G C -0.059 174.785 174.900 -0.093 0.000 1.498 299 G CA 0.275 45.309 45.100 -0.109 0.000 0.847 299 G HN 1.997 nan 8.290 nan 0.000 0.594 300 G N -1.353 107.403 108.800 -0.074 0.000 2.631 300 G HA2 0.385 4.345 3.960 -0.000 0.000 0.504 300 G HA3 0.385 4.345 3.960 -0.000 0.000 0.504 300 G C -0.332 174.528 174.900 -0.066 0.000 1.306 300 G CA 0.140 45.202 45.100 -0.063 0.000 0.897 300 G HN 1.571 nan 8.290 nan 0.000 0.520 301 T N 2.294 116.814 114.554 -0.058 0.000 2.756 301 T HA 0.599 4.949 4.350 -0.000 0.000 0.290 301 T C -0.721 173.946 174.700 -0.055 0.000 0.985 301 T CA -0.402 61.665 62.100 -0.056 0.000 0.955 301 T CB 1.014 69.855 68.868 -0.045 0.000 0.930 301 T HN 0.541 nan 8.240 nan 0.000 0.451 302 D N 2.180 122.546 120.400 -0.058 0.000 2.340 302 D HA 0.551 5.191 4.640 -0.000 0.000 0.240 302 D C -0.434 175.847 176.300 -0.031 0.000 1.001 302 D CA -0.439 53.545 54.000 -0.027 0.000 0.888 302 D CB 2.185 42.991 40.800 0.010 0.000 1.310 302 D HN 0.306 nan 8.370 nan 0.000 0.474 303 T N 0.672 115.245 114.554 0.031 0.000 2.861 303 T HA 0.354 4.703 4.350 -0.000 0.000 0.287 303 T C -0.315 174.502 174.700 0.196 0.000 1.003 303 T CA -0.542 61.579 62.100 0.035 0.000 0.977 303 T CB 0.936 69.805 68.868 0.002 0.000 0.996 303 T HN 0.164 nan 8.240 nan 0.000 0.448 304 F N 2.727 122.591 119.950 -0.143 0.000 2.368 304 F HA 0.196 4.723 4.527 -0.000 0.000 0.362 304 F C 0.656 176.095 175.800 -0.602 0.000 1.137 304 F CA -0.867 56.846 58.000 -0.477 0.000 1.161 304 F CB 0.640 39.312 39.000 -0.545 0.000 1.265 304 F HN 0.452 nan 8.300 nan 0.000 0.530 305 D N 5.393 125.632 120.400 -0.269 0.000 2.456 305 D HA 0.116 4.756 4.640 -0.000 0.000 0.219 305 D C -0.386 175.969 176.300 0.091 0.000 1.126 305 D CA -0.268 53.685 54.000 -0.077 0.000 0.890 305 D CB 0.273 41.109 40.800 0.059 0.000 1.025 305 D HN 0.210 nan 8.370 nan 0.000 0.511 306 F N 1.516 121.640 119.950 0.291 0.000 2.925 306 F HA 0.103 4.630 4.527 -0.000 0.000 0.302 306 F C 2.123 178.019 175.800 0.160 0.000 1.189 306 F CA -0.614 57.604 58.000 0.362 0.000 1.346 306 F CB -0.289 38.936 39.000 0.374 0.000 0.954 306 F HN 0.248 nan 8.300 nan 0.000 0.506 307 S N -1.315 114.437 115.700 0.086 0.000 2.489 307 S HA 0.004 4.474 4.470 -0.000 0.000 0.228 307 S C 2.093 176.425 174.600 -0.446 0.000 0.995 307 S CA 0.832 58.949 58.200 -0.138 0.000 0.934 307 S CB -0.360 62.758 63.200 -0.137 0.000 0.771 307 S HN 0.379 nan 8.310 nan 0.000 0.522 308 G N -0.490 107.582 108.800 -1.214 0.000 2.985 308 G HA2 0.259 4.219 3.960 -0.000 0.000 0.209 308 G HA3 0.259 4.219 3.960 -0.000 0.000 0.209 308 G C -0.020 174.470 174.900 -0.684 0.000 1.165 308 G CA -0.379 43.863 45.100 -1.431 0.000 0.776 308 G HN 0.544 nan 8.290 nan 0.000 0.541 309 Y N 0.402 120.601 120.300 -0.168 0.000 2.376 309 Y HA 0.319 4.869 4.550 -0.000 0.000 0.325 309 Y C 1.582 177.471 175.900 -0.018 0.000 1.199 309 Y CA -0.479 57.625 58.100 0.007 0.000 1.206 309 Y CB 1.971 40.492 38.460 0.102 0.000 1.229 309 Y HN 0.081 nan 8.280 nan 0.000 0.480 310 S N -0.823 114.985 115.700 0.180 0.000 2.524 310 S HA 0.104 4.574 4.470 -0.000 0.000 0.215 310 S C 0.048 174.685 174.600 0.062 0.000 0.986 310 S CA -0.522 57.729 58.200 0.086 0.000 0.911 310 S CB -0.283 62.950 63.200 0.054 0.000 0.805 310 S HN 0.609 nan 8.310 nan 0.000 0.501 311 N N 3.290 122.025 118.700 0.058 0.000 2.415 311 N HA 0.113 4.853 4.740 -0.000 0.000 0.248 311 N C -0.882 174.624 175.510 -0.007 0.000 1.271 311 N CA -0.064 52.982 53.050 -0.006 0.000 0.913 311 N CB 0.169 38.610 38.487 -0.076 0.000 1.129 311 N HN 0.260 nan 8.380 nan 0.000 0.444 312 N N 1.964 120.645 118.700 -0.032 0.000 2.452 312 N HA 0.051 4.791 4.740 -0.000 0.000 0.266 312 N C -0.085 175.383 175.510 -0.070 0.000 1.175 312 N CA 0.260 53.284 53.050 -0.043 0.000 0.945 312 N CB 0.809 39.260 38.487 -0.059 0.000 1.063 312 N HN 0.430 nan 8.380 nan 0.000 0.472 313 Q N 1.623 121.391 119.800 -0.053 0.000 2.297 313 Q HA 0.557 4.897 4.340 -0.000 0.000 0.269 313 Q C -0.325 175.588 176.000 -0.146 0.000 1.051 313 Q CA -0.793 54.968 55.803 -0.070 0.000 0.869 313 Q CB 2.410 31.169 28.738 0.035 0.000 1.346 313 Q HN 0.296 nan 8.270 nan 0.000 0.457 314 R N 1.263 121.628 120.500 -0.225 0.000 2.476 314 R HA 0.554 4.894 4.340 -0.000 0.000 0.305 314 R C -0.986 175.261 176.300 -0.089 0.000 0.965 314 R CA -0.390 55.377 56.100 -0.556 0.000 0.867 314 R CB 1.223 30.712 30.300 -1.352 0.000 1.176 314 R HN 0.534 nan 8.270 nan 0.000 0.447 315 I N 2.340 123.046 120.570 0.226 0.000 2.418 315 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 315 I C -0.528 176.002 176.117 0.689 0.000 1.008 315 I CA -0.873 60.757 61.300 0.551 0.000 1.104 315 I CB 1.857 40.160 38.000 0.505 0.000 1.264 315 I HN 0.392 nan 8.210 nan 0.000 0.438 316 N N 6.614 125.702 118.700 0.646 0.000 2.372 316 N HA 0.435 5.175 4.740 -0.000 0.000 0.285 316 N C -0.051 175.602 175.510 0.237 0.000 1.008 316 N CA -0.479 52.775 53.050 0.340 0.000 0.880 316 N CB 2.189 40.663 38.487 -0.021 0.000 1.239 316 N HN 0.608 nan 8.380 nan 0.000 0.484 317 L N 1.499 122.800 121.223 0.129 0.000 2.607 317 L HA 0.239 4.579 4.340 -0.000 0.000 0.228 317 L C 0.401 177.253 176.870 -0.030 0.000 1.123 317 L CA -0.085 54.749 54.840 -0.011 0.000 0.890 317 L CB -0.176 41.852 42.059 -0.053 0.000 1.103 317 L HN 0.377 nan 8.230 nan 0.000 0.468 318 N N 2.326 121.036 118.700 0.016 0.000 2.513 318 N HA 0.023 4.763 4.740 -0.000 0.000 0.268 318 N C 0.006 175.520 175.510 0.007 0.000 1.180 318 N CA 0.042 53.098 53.050 0.010 0.000 0.948 318 N CB 0.904 39.405 38.487 0.023 0.000 1.083 318 N HN 0.308 nan 8.380 nan 0.000 0.455 319 E N 0.322 120.521 120.200 -0.002 0.000 2.452 319 E HA 0.147 4.497 4.350 -0.000 0.000 0.261 319 E C 0.832 177.476 176.600 0.075 0.000 0.987 319 E CA 0.050 56.458 56.400 0.013 0.000 0.926 319 E CB 0.192 29.876 29.700 -0.027 0.000 0.934 319 E HN 0.737 nan 8.360 nan 0.000 0.452 320 G N 2.497 111.352 108.800 0.092 0.000 2.179 320 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 320 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 320 G C 0.239 175.186 174.900 0.077 0.000 0.977 320 G CA 0.380 45.557 45.100 0.130 0.000 0.641 320 G HN 1.126 nan 8.290 nan 0.000 0.533 321 S N -0.639 115.074 115.700 0.022 0.000 2.690 321 S HA 0.847 5.316 4.470 -0.000 0.000 0.291 321 S C -0.415 174.157 174.600 -0.046 0.000 1.138 321 S CA -0.836 57.399 58.200 0.058 0.000 1.013 321 S CB 1.987 65.206 63.200 0.032 0.000 1.053 321 S HN 0.424 nan 8.310 nan 0.000 0.539 322 F N 0.697 120.692 119.950 0.075 0.000 2.492 322 F HA 0.634 5.161 4.527 -0.000 0.000 0.327 322 F C 0.725 176.719 175.800 0.322 0.000 1.079 322 F CA -0.260 57.801 58.000 0.101 0.000 0.967 322 F CB 2.408 41.352 39.000 -0.093 0.000 1.169 322 F HN 0.667 nan 8.300 nan 0.000 0.472 323 S N 0.483 116.465 115.700 0.469 0.000 2.689 323 S HA 0.483 4.953 4.470 -0.000 0.000 0.306 323 S C -1.652 173.183 174.600 0.392 0.000 1.104 323 S CA -0.958 57.577 58.200 0.558 0.000 0.973 323 S CB 1.578 65.015 63.200 0.395 0.000 1.121 323 S HN 0.374 nan 8.310 nan 0.000 0.523 324 D N 1.909 122.465 120.400 0.260 0.000 2.460 324 D HA 0.480 5.119 4.640 -0.000 0.000 0.232 324 D C -0.986 175.254 176.300 -0.101 0.000 1.079 324 D CA -0.082 53.964 54.000 0.077 0.000 0.864 324 D CB 1.373 42.188 40.800 0.025 0.000 1.048 324 D HN 0.117 nan 8.370 nan 0.000 0.523 325 V N 0.172 119.937 119.914 -0.249 0.000 2.628 325 V HA 0.629 4.748 4.120 -0.000 0.000 0.306 325 V C 1.202 176.945 176.094 -0.584 0.000 1.045 325 V CA -0.821 61.213 62.300 -0.443 0.000 0.905 325 V CB 1.802 33.138 31.823 -0.812 0.000 0.997 325 V HN 0.772 nan 8.190 nan 0.000 0.436 326 G N 2.569 110.864 108.800 -0.843 0.000 2.341 326 G HA2 0.060 4.019 3.960 -0.000 0.000 0.292 326 G HA3 0.060 4.019 3.960 -0.000 0.000 0.292 326 G C 1.211 175.711 174.900 -0.666 0.000 1.021 326 G CA 1.018 45.210 45.100 -1.514 0.000 0.905 326 G HN 2.386 nan 8.290 nan 0.000 0.508 327 G N -2.813 105.769 108.800 -0.363 0.000 2.225 327 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.254 327 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.254 327 G C 0.408 175.226 174.900 -0.136 0.000 0.988 327 G CA 0.737 45.718 45.100 -0.198 0.000 0.625 327 G HN 1.207 nan 8.290 nan 0.000 0.527 328 L N 0.352 121.476 121.223 -0.165 0.000 2.454 328 L HA 0.723 5.063 4.340 -0.000 0.000 0.256 328 L C 0.705 177.580 176.870 0.008 0.000 1.136 328 L CA -0.223 54.586 54.840 -0.052 0.000 0.804 328 L CB 0.856 42.868 42.059 -0.079 0.000 1.181 328 L HN 0.207 nan 8.230 nan 0.000 0.469 329 K N -0.331 120.141 120.400 0.119 0.000 2.378 329 K HA 0.589 4.908 4.320 -0.000 0.000 0.252 329 K C 0.260 177.023 176.600 0.272 0.000 0.931 329 K CA -0.355 56.044 56.287 0.187 0.000 0.794 329 K CB 1.616 34.225 32.500 0.182 0.000 1.181 329 K HN 0.707 nan 8.250 nan 0.000 0.425 330 G N 2.273 111.263 108.800 0.317 0.000 2.225 330 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 330 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 330 G C 0.374 175.465 174.900 0.318 0.000 1.024 330 G CA 0.729 45.964 45.100 0.223 0.000 0.784 330 G HN 0.849 nan 8.290 nan 0.000 0.507 331 N N -1.116 117.656 118.700 0.120 0.000 2.373 331 N HA 0.133 4.873 4.740 -0.000 0.000 0.181 331 N C 0.380 175.640 175.510 -0.417 0.000 1.082 331 N CA 0.661 53.535 53.050 -0.293 0.000 0.885 331 N CB 0.632 38.812 38.487 -0.513 0.000 0.977 331 N HN 0.390 nan 8.380 nan 0.000 0.462 332 V N 1.258 120.972 119.914 -0.333 0.000 2.540 332 V HA 0.545 4.664 4.120 -0.000 0.000 0.302 332 V C -0.353 175.551 176.094 -0.318 0.000 1.035 332 V CA -0.643 61.315 62.300 -0.570 0.000 0.873 332 V CB 1.706 33.051 31.823 -0.795 0.000 0.992 332 V HN 0.486 nan 8.190 nan 0.000 0.428 333 S N 5.068 120.558 115.700 -0.350 0.000 2.651 333 S HA 0.812 5.282 4.470 -0.000 0.000 0.279 333 S C -1.123 173.460 174.600 -0.029 0.000 1.148 333 S CA -0.840 57.093 58.200 -0.445 0.000 0.837 333 S CB 2.092 64.557 63.200 -1.224 0.000 1.138 333 S HN 0.437 nan 8.310 nan 0.000 0.478 334 I N 1.457 122.015 120.570 -0.021 0.000 2.436 334 I HA 0.586 4.756 4.170 -0.000 0.000 0.289 334 I C 0.496 176.665 176.117 0.087 0.000 1.010 334 I CA -0.943 60.418 61.300 0.101 0.000 1.098 334 I CB 1.732 39.768 38.000 0.061 0.000 1.266 334 I HN 0.968 nan 8.210 nan 0.000 0.434 335 A N 4.521 127.448 122.820 0.178 0.000 2.466 335 A HA 0.108 4.428 4.320 -0.000 0.000 0.238 335 A C -0.129 177.615 177.584 0.266 0.000 1.074 335 A CA 0.083 52.279 52.037 0.266 0.000 0.774 335 A CB -0.101 19.158 19.000 0.432 0.000 1.015 335 A HN 0.781 nan 8.150 nan 0.000 0.498 336 H N -0.022 119.171 119.070 0.205 0.000 3.001 336 H HA 0.350 4.906 4.556 -0.000 0.000 0.334 336 H C 1.393 176.875 175.328 0.257 0.000 1.034 336 H CA 1.621 57.779 56.048 0.183 0.000 1.420 336 H CB 0.385 30.243 29.762 0.161 0.000 1.405 336 H HN 1.444 nan 8.280 nan 0.000 0.593 337 G N 2.843 111.440 108.800 -0.338 0.000 2.157 337 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.239 337 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.239 337 G C -0.578 174.259 174.900 -0.106 0.000 0.982 337 G CA 0.154 45.188 45.100 -0.109 0.000 0.650 337 G HN 0.661 nan 8.290 nan 0.000 0.527 338 V N 0.632 120.471 119.914 -0.125 0.000 2.604 338 V HA 0.774 4.894 4.120 -0.000 0.000 0.305 338 V C 0.046 176.036 176.094 -0.174 0.000 1.043 338 V CA -0.268 61.904 62.300 -0.212 0.000 0.888 338 V CB 2.117 33.832 31.823 -0.179 0.000 0.995 338 V HN 0.248 nan 8.190 nan 0.000 0.429 339 T N 5.879 120.317 114.554 -0.195 0.000 2.833 339 T HA 0.566 4.916 4.350 -0.000 0.000 0.297 339 T C -0.540 174.046 174.700 -0.191 0.000 1.015 339 T CA -0.245 61.757 62.100 -0.163 0.000 0.963 339 T CB 0.568 69.359 68.868 -0.127 0.000 0.955 339 T HN 0.272 nan 8.240 nan 0.000 0.449 340 I N 3.261 123.690 120.570 -0.235 0.000 2.412 340 I HA 0.412 4.582 4.170 -0.000 0.000 0.296 340 I C 0.844 176.822 176.117 -0.233 0.000 0.987 340 I CA -0.638 60.480 61.300 -0.302 0.000 1.180 340 I CB 1.888 39.534 38.000 -0.590 0.000 1.340 340 I HN 0.622 nan 8.210 nan 0.000 0.455 341 E N 3.005 123.102 120.200 -0.172 0.000 2.244 341 E HA 0.125 4.475 4.350 -0.000 0.000 0.196 341 E C -0.304 176.251 176.600 -0.075 0.000 0.939 341 E CA 0.617 56.956 56.400 -0.102 0.000 0.884 341 E CB 0.384 30.041 29.700 -0.071 0.000 0.850 341 E HN 0.521 nan 8.360 nan 0.000 0.481 342 N N -0.340 118.310 118.700 -0.083 0.000 2.312 342 N HA 0.703 5.442 4.740 -0.000 0.000 0.296 342 N C -1.293 174.204 175.510 -0.023 0.000 1.193 342 N CA -0.611 52.423 53.050 -0.028 0.000 0.773 342 N CB 2.115 40.597 38.487 -0.009 0.000 1.435 342 N HN 0.024 nan 8.380 nan 0.000 0.484 343 A N 0.652 123.494 122.820 0.038 0.000 2.520 343 A HA 0.744 5.064 4.320 -0.000 0.000 0.298 343 A C -1.335 176.297 177.584 0.080 0.000 1.051 343 A CA -0.560 51.522 52.037 0.074 0.000 0.690 343 A CB 0.946 20.035 19.000 0.148 0.000 1.281 343 A HN 0.563 nan 8.150 nan 0.000 0.402 344 I N 2.355 122.958 120.570 0.056 0.000 2.439 344 I HA 0.493 4.663 4.170 -0.000 0.000 0.285 344 I C 0.891 177.088 176.117 0.132 0.000 1.021 344 I CA -0.592 60.753 61.300 0.074 0.000 1.091 344 I CB 2.015 40.034 38.000 0.030 0.000 1.242 344 I HN 0.800 nan 8.210 nan 0.000 0.439 345 G N 3.584 112.473 108.800 0.148 0.000 2.563 345 G HA2 0.616 4.576 3.960 -0.000 0.000 0.283 345 G HA3 0.616 4.576 3.960 -0.000 0.000 0.283 345 G C 0.177 175.156 174.900 0.133 0.000 1.309 345 G CA -0.089 45.120 45.100 0.181 0.000 1.022 345 G HN 0.699 nan 8.290 nan 0.000 0.501 346 G N -1.673 107.206 108.800 0.133 0.000 2.857 346 G HA2 0.404 4.364 3.960 -0.000 0.000 0.217 346 G HA3 0.404 4.364 3.960 -0.000 0.000 0.217 346 G C 1.275 176.200 174.900 0.043 0.000 1.357 346 G CA 0.789 45.931 45.100 0.070 0.000 1.033 346 G HN 1.100 nan 8.290 nan 0.000 0.571 347 S N -1.056 114.659 115.700 0.024 0.000 2.561 347 S HA 0.234 4.704 4.470 -0.000 0.000 0.225 347 S C 1.287 175.898 174.600 0.019 0.000 0.977 347 S CA 0.454 58.662 58.200 0.013 0.000 0.926 347 S CB -0.281 62.919 63.200 -0.000 0.000 0.769 347 S HN 0.844 nan 8.310 nan 0.000 0.533 348 G N 1.548 110.367 108.800 0.031 0.000 2.621 348 G HA2 0.351 4.311 3.960 -0.000 0.000 0.271 348 G HA3 0.351 4.311 3.960 -0.000 0.000 0.271 348 G C -0.477 174.427 174.900 0.007 0.000 1.236 348 G CA -0.891 44.219 45.100 0.017 0.000 0.958 348 G HN 0.371 nan 8.290 nan 0.000 0.512 349 N N 1.731 120.425 118.700 -0.010 0.000 2.415 349 N HA 0.186 4.926 4.740 -0.000 0.000 0.246 349 N C -0.838 174.652 175.510 -0.034 0.000 1.078 349 N CA 0.028 53.066 53.050 -0.021 0.000 0.942 349 N CB 1.179 39.649 38.487 -0.027 0.000 1.140 349 N HN 0.385 nan 8.380 nan 0.000 0.501 350 D N 1.466 121.852 120.400 -0.024 0.000 2.326 350 D HA 0.483 5.123 4.640 -0.000 0.000 0.248 350 D C 0.480 176.749 176.300 -0.051 0.000 1.001 350 D CA -0.346 53.635 54.000 -0.032 0.000 0.961 350 D CB 2.029 42.845 40.800 0.027 0.000 1.183 350 D HN 0.262 nan 8.370 nan 0.000 0.502 351 I N 1.101 121.613 120.570 -0.097 0.000 2.406 351 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 351 I C -0.937 175.197 176.117 0.029 0.000 0.999 351 I CA -0.806 60.449 61.300 -0.074 0.000 1.124 351 I CB 1.417 39.294 38.000 -0.207 0.000 1.289 351 I HN -0.037 nan 8.210 nan 0.000 0.441 352 L N 7.372 128.672 121.223 0.128 0.000 2.349 352 L HA 0.511 4.851 4.340 -0.000 0.000 0.278 352 L C -0.451 176.586 176.870 0.279 0.000 0.996 352 L CA -0.472 54.499 54.840 0.220 0.000 0.825 352 L CB 1.890 44.060 42.059 0.185 0.000 1.243 352 L HN 0.251 nan 8.230 nan 0.000 0.412 353 V N 3.033 123.162 119.914 0.358 0.000 2.409 353 V HA 0.771 4.891 4.120 -0.000 0.000 0.291 353 V C 0.609 176.873 176.094 0.283 0.000 1.020 353 V CA -0.463 62.068 62.300 0.384 0.000 0.848 353 V CB 1.462 33.509 31.823 0.373 0.000 0.990 353 V HN 0.824 nan 8.190 nan 0.000 0.430 354 G N 3.998 112.936 108.800 0.231 0.000 2.532 354 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 354 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 354 G C -0.362 174.594 174.900 0.094 0.000 1.349 354 G CA -0.507 44.659 45.100 0.111 0.000 1.038 354 G HN 0.787 nan 8.290 nan 0.000 0.518 355 N N -2.946 115.775 118.700 0.034 0.000 3.255 355 N HA 0.296 5.036 4.740 -0.000 0.000 0.359 355 N C 1.094 176.609 175.510 0.008 0.000 1.463 355 N CA 0.157 53.225 53.050 0.031 0.000 0.695 355 N CB 0.544 39.034 38.487 0.004 0.000 1.581 355 N HN 0.398 nan 8.380 nan 0.000 0.622 356 S N -2.095 113.610 115.700 0.009 0.000 2.561 356 S HA 0.292 4.762 4.470 -0.000 0.000 0.225 356 S C 0.871 175.466 174.600 -0.008 0.000 0.977 356 S CA -0.138 58.066 58.200 0.006 0.000 0.926 356 S CB -0.822 62.388 63.200 0.016 0.000 0.769 356 S HN 0.810 nan 8.310 nan 0.000 0.533 357 A N 1.584 124.393 122.820 -0.018 0.000 2.259 357 A HA 0.471 4.790 4.320 -0.000 0.000 0.278 357 A C -0.359 177.211 177.584 -0.023 0.000 1.107 357 A CA -0.605 51.417 52.037 -0.025 0.000 0.828 357 A CB 0.020 18.997 19.000 -0.038 0.000 1.111 357 A HN 0.323 nan 8.150 nan 0.000 0.498 358 D N 1.219 121.605 120.400 -0.023 0.000 2.338 358 D HA 0.273 4.913 4.640 -0.000 0.000 0.255 358 D C -0.581 175.716 176.300 -0.004 0.000 1.237 358 D CA 0.715 54.707 54.000 -0.014 0.000 0.883 358 D CB 0.073 40.863 40.800 -0.017 0.000 1.087 358 D HN 0.482 nan 8.370 nan 0.000 0.485 359 N N 1.581 120.288 118.700 0.011 0.000 2.361 359 N HA 0.497 5.236 4.740 -0.000 0.000 0.302 359 N C -0.435 175.114 175.510 0.065 0.000 1.074 359 N CA -0.680 52.385 53.050 0.024 0.000 0.850 359 N CB 2.058 40.559 38.487 0.023 0.000 1.228 359 N HN 0.238 nan 8.380 nan 0.000 0.491 360 I N 2.431 123.046 120.570 0.075 0.000 2.339 360 I HA 0.308 4.477 4.170 -0.000 0.000 0.290 360 I C -0.759 175.447 176.117 0.148 0.000 0.994 360 I CA -0.536 60.846 61.300 0.136 0.000 1.191 360 I CB 0.715 38.792 38.000 0.128 0.000 1.343 360 I HN 0.285 nan 8.210 nan 0.000 0.458 361 L N 6.824 128.171 121.223 0.207 0.000 2.341 361 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 361 L C -0.568 176.466 176.870 0.273 0.000 1.005 361 L CA -0.602 54.359 54.840 0.202 0.000 0.818 361 L CB 1.768 43.944 42.059 0.194 0.000 1.259 361 L HN 0.553 nan 8.230 nan 0.000 0.418 362 Q N 1.410 121.334 119.800 0.206 0.000 2.339 362 Q HA 0.280 4.619 4.340 -0.000 0.000 0.268 362 Q C 0.768 176.859 176.000 0.153 0.000 1.027 362 Q CA -0.373 55.551 55.803 0.201 0.000 0.759 362 Q CB 2.255 31.049 28.738 0.094 0.000 1.244 362 Q HN 0.893 nan 8.270 nan 0.000 0.464 363 G N 1.892 110.786 108.800 0.156 0.000 2.448 363 G HA2 0.225 4.185 3.960 -0.000 0.000 0.218 363 G HA3 0.225 4.185 3.960 -0.000 0.000 0.218 363 G C 0.727 175.674 174.900 0.078 0.000 1.135 363 G CA 0.555 45.715 45.100 0.099 0.000 0.784 363 G HN 0.922 nan 8.290 nan 0.000 0.543 364 G N -0.563 108.285 108.800 0.079 0.000 2.698 364 G HA2 0.279 4.239 3.960 -0.000 0.000 0.233 364 G HA3 0.279 4.239 3.960 -0.000 0.000 0.233 364 G C 0.431 175.355 174.900 0.039 0.000 1.352 364 G CA -0.076 45.053 45.100 0.049 0.000 0.879 364 G HN 1.390 nan 8.290 nan 0.000 0.567 365 A N -0.672 122.162 122.820 0.022 0.000 2.366 365 A HA 0.896 5.216 4.320 -0.000 0.000 0.250 365 A C 1.760 179.352 177.584 0.013 0.000 1.099 365 A CA 2.038 54.084 52.037 0.015 0.000 0.794 365 A CB -0.092 18.911 19.000 0.005 0.000 1.056 365 A HN 3.050 nan 8.150 nan 0.000 0.499 366 G N -0.073 108.731 108.800 0.006 0.000 2.661 366 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.685 366 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.685 366 G C -0.873 174.022 174.900 -0.008 0.000 1.298 366 G CA -0.358 44.742 45.100 -0.000 0.000 0.855 366 G HN 1.047 nan 8.290 nan 0.000 0.560 367 N N 2.053 120.743 118.700 -0.016 0.000 2.527 367 N HA 0.387 5.127 4.740 -0.000 0.000 0.236 367 N C -0.843 174.643 175.510 -0.040 0.000 0.999 367 N CA -0.282 52.751 53.050 -0.029 0.000 0.935 367 N CB 1.130 39.604 38.487 -0.023 0.000 1.132 367 N HN 0.547 nan 8.380 nan 0.000 0.511 368 D N 0.523 120.887 120.400 -0.060 0.000 2.272 368 D HA 0.380 5.020 4.640 -0.000 0.000 0.247 368 D C -0.130 176.106 176.300 -0.105 0.000 0.990 368 D CA -0.442 53.520 54.000 -0.064 0.000 0.931 368 D CB 2.605 43.381 40.800 -0.040 0.000 1.195 368 D HN -0.009 nan 8.370 nan 0.000 0.477 369 V N 2.052 121.925 119.914 -0.068 0.000 2.409 369 V HA 0.311 4.430 4.120 -0.000 0.000 0.291 369 V C -0.440 175.647 176.094 -0.012 0.000 1.020 369 V CA -0.647 61.619 62.300 -0.056 0.000 0.848 369 V CB 1.408 33.224 31.823 -0.012 0.000 0.990 369 V HN 0.290 nan 8.190 nan 0.000 0.430 370 L N 5.230 126.435 121.223 -0.029 0.000 2.346 370 L HA 0.580 4.920 4.340 -0.000 0.000 0.276 370 L C -0.950 176.024 176.870 0.172 0.000 1.006 370 L CA -0.457 54.435 54.840 0.087 0.000 0.817 370 L CB 1.664 43.781 42.059 0.097 0.000 1.272 370 L HN 0.667 nan 8.230 nan 0.000 0.421 371 Y N 1.185 121.513 120.300 0.047 0.000 2.322 371 Y HA 0.540 5.090 4.550 -0.000 0.000 0.324 371 Y C 0.739 176.648 175.900 0.016 0.000 1.027 371 Y CA -0.749 57.350 58.100 -0.002 0.000 1.179 371 Y CB 1.923 40.409 38.460 0.044 0.000 1.136 371 Y HN 0.620 nan 8.280 nan 0.000 0.449 372 G N 2.955 111.540 108.800 -0.358 0.000 2.551 372 G HA2 0.347 4.307 3.960 -0.000 0.000 0.216 372 G HA3 0.347 4.307 3.960 -0.000 0.000 0.216 372 G C 0.829 175.495 174.900 -0.389 0.000 1.137 372 G CA 0.501 45.457 45.100 -0.239 0.000 0.798 372 G HN 1.455 nan 8.290 nan 0.000 0.536 373 G N -0.195 108.076 108.800 -0.882 0.000 2.601 373 G HA2 0.227 4.187 3.960 -0.000 0.000 0.252 373 G HA3 0.227 4.187 3.960 -0.000 0.000 0.252 373 G C 0.552 175.339 174.900 -0.189 0.000 1.294 373 G CA 0.049 44.790 45.100 -0.598 0.000 0.912 373 G HN 1.411 nan 8.290 nan 0.000 0.574 374 A N -0.485 122.304 122.820 -0.051 0.000 2.429 374 A HA 0.785 5.105 4.320 -0.000 0.000 0.242 374 A C 1.806 179.380 177.584 -0.016 0.000 1.088 374 A CA 2.147 54.185 52.037 0.003 0.000 0.784 374 A CB -0.254 18.766 19.000 0.033 0.000 1.038 374 A HN 3.016 nan 8.150 nan 0.000 0.501 375 G N -1.606 107.190 108.800 -0.007 0.000 2.712 375 G HA2 0.428 4.388 3.960 -0.000 0.000 0.683 375 G HA3 0.428 4.388 3.960 -0.000 0.000 0.683 375 G C -0.007 174.871 174.900 -0.037 0.000 1.320 375 G CA -0.187 44.899 45.100 -0.023 0.000 0.847 375 G HN 2.289 nan 8.290 nan 0.000 0.553 376 A N 1.119 123.905 122.820 -0.058 0.000 2.506 376 A HA 0.595 4.915 4.320 -0.000 0.000 0.320 376 A C 0.176 177.748 177.584 -0.021 0.000 1.424 376 A CA -0.097 51.889 52.037 -0.085 0.000 1.044 376 A CB 0.028 18.931 19.000 -0.162 0.000 1.140 376 A HN 0.578 nan 8.150 nan 0.000 0.538 377 D N 1.339 121.748 120.400 0.015 0.000 2.277 377 D HA 0.484 5.124 4.640 -0.000 0.000 0.250 377 D C -0.397 175.969 176.300 0.111 0.000 1.032 377 D CA 0.214 54.247 54.000 0.055 0.000 0.947 377 D CB 1.720 42.545 40.800 0.041 0.000 1.159 377 D HN 0.338 nan 8.370 nan 0.000 0.460 378 T N 1.326 115.958 114.554 0.131 0.000 2.809 378 T HA 0.472 4.822 4.350 -0.000 0.000 0.284 378 T C -0.077 174.699 174.700 0.127 0.000 0.992 378 T CA -0.598 61.586 62.100 0.139 0.000 0.957 378 T CB 0.727 69.689 68.868 0.156 0.000 0.942 378 T HN 0.087 nan 8.240 nan 0.000 0.439 379 L N 3.595 124.837 121.223 0.031 0.000 2.333 379 L HA 0.561 4.901 4.340 -0.000 0.000 0.280 379 L C -1.253 175.618 176.870 0.002 0.000 1.004 379 L CA -1.108 53.827 54.840 0.158 0.000 0.820 379 L CB 1.319 43.561 42.059 0.304 0.000 1.247 379 L HN 0.631 nan 8.230 nan 0.000 0.416 380 Y N 0.867 121.338 120.300 0.286 0.000 2.356 380 Y HA 0.340 4.889 4.550 -0.000 0.000 0.334 380 Y C 1.125 177.223 175.900 0.330 0.000 0.958 380 Y CA -0.547 57.713 58.100 0.266 0.000 1.196 380 Y CB 1.979 40.530 38.460 0.151 0.000 1.137 380 Y HN 0.707 nan 8.280 nan 0.000 0.485 381 G N 1.763 110.893 108.800 0.551 0.000 2.464 381 G HA2 0.333 4.292 3.960 -0.000 0.000 0.217 381 G HA3 0.333 4.292 3.960 -0.000 0.000 0.217 381 G C 0.852 175.872 174.900 0.199 0.000 1.138 381 G CA 0.466 45.758 45.100 0.320 0.000 0.793 381 G HN 1.133 nan 8.290 nan 0.000 0.539 382 G N -0.563 108.378 108.800 0.236 0.000 2.750 382 G HA2 0.290 4.250 3.960 -0.000 0.000 0.228 382 G HA3 0.290 4.250 3.960 -0.000 0.000 0.228 382 G C 0.403 175.361 174.900 0.097 0.000 1.367 382 G CA -0.171 45.020 45.100 0.151 0.000 0.871 382 G HN 1.459 nan 8.290 nan 0.000 0.560 383 A N -0.294 122.563 122.820 0.061 0.000 2.586 383 A HA 0.709 5.029 4.320 -0.000 0.000 0.231 383 A C 1.887 179.484 177.584 0.022 0.000 1.055 383 A CA 2.476 54.534 52.037 0.034 0.000 0.756 383 A CB -0.451 18.562 19.000 0.021 0.000 0.988 383 A HN 3.021 nan 8.150 nan 0.000 0.509 384 G N 1.112 109.917 108.800 0.008 0.000 2.498 384 G HA2 0.003 3.963 3.960 -0.000 0.000 0.651 384 G HA3 0.003 3.963 3.960 -0.000 0.000 0.651 384 G C -0.553 174.337 174.900 -0.017 0.000 1.284 384 G CA -0.435 44.661 45.100 -0.005 0.000 0.950 384 G HN 0.991 nan 8.290 nan 0.000 0.511 385 R N 1.141 121.627 120.500 -0.024 0.000 2.230 385 R HA 0.386 4.726 4.340 -0.000 0.000 0.337 385 R C -0.850 175.421 176.300 -0.049 0.000 1.063 385 R CA -0.624 55.457 56.100 -0.033 0.000 0.935 385 R CB 0.706 30.995 30.300 -0.019 0.000 1.121 385 R HN 0.479 nan 8.270 nan 0.000 0.486 386 D N 1.348 121.701 120.400 -0.079 0.000 2.272 386 D HA 0.304 4.944 4.640 -0.000 0.000 0.247 386 D C -0.268 175.891 176.300 -0.235 0.000 0.990 386 D CA -0.234 53.649 54.000 -0.195 0.000 0.931 386 D CB 2.378 43.014 40.800 -0.274 0.000 1.195 386 D HN 0.225 nan 8.370 nan 0.000 0.477 387 T N 1.153 115.507 114.554 -0.333 0.000 2.840 387 T HA 0.394 4.743 4.350 -0.000 0.000 0.287 387 T C -0.564 173.970 174.700 -0.275 0.000 0.991 387 T CA -0.541 61.472 62.100 -0.145 0.000 0.964 387 T CB 0.319 69.196 68.868 0.015 0.000 0.954 387 T HN 0.079 nan 8.240 nan 0.000 0.438 388 F N 2.259 122.372 119.950 0.273 0.000 2.385 388 F HA 0.565 5.092 4.527 -0.000 0.000 0.360 388 F C 0.208 176.147 175.800 0.232 0.000 1.122 388 F CA -1.014 57.132 58.000 0.243 0.000 1.090 388 F CB 0.952 40.154 39.000 0.337 0.000 1.150 388 F HN 0.166 nan 8.300 nan 0.000 0.472 389 V N 4.098 124.133 119.914 0.202 0.000 2.483 389 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 389 V C -0.927 175.173 176.094 0.011 0.000 1.035 389 V CA -1.061 61.397 62.300 0.263 0.000 0.896 389 V CB 1.531 33.553 31.823 0.331 0.000 0.986 389 V HN 0.512 nan 8.190 nan 0.000 0.447 390 Y N 1.928 122.504 120.300 0.459 0.000 2.328 390 Y HA 0.583 5.132 4.550 -0.000 0.000 0.336 390 Y C 1.025 177.142 175.900 0.361 0.000 0.960 390 Y CA -0.444 57.929 58.100 0.455 0.000 1.134 390 Y CB 2.228 41.028 38.460 0.567 0.000 1.166 390 Y HN 0.681 nan 8.280 nan 0.000 0.464 391 G N 0.847 109.931 108.800 0.473 0.000 3.044 391 G HA2 0.297 4.257 3.960 -0.000 0.000 0.223 391 G HA3 0.297 4.257 3.960 -0.000 0.000 0.223 391 G C -0.065 174.782 174.900 -0.089 0.000 1.123 391 G CA 0.532 45.802 45.100 0.282 0.000 0.765 391 G HN 0.566 nan 8.290 nan 0.000 0.546 392 S N -2.569 113.109 115.700 -0.037 0.000 2.595 392 S HA 0.482 4.951 4.470 -0.000 0.000 0.270 392 S C 1.086 175.856 174.600 0.283 0.000 1.145 392 S CA 0.537 58.657 58.200 -0.134 0.000 0.825 392 S CB 0.895 64.110 63.200 0.024 0.000 1.107 392 S HN 0.480 nan 8.310 nan 0.000 0.461 393 G N 0.730 109.736 108.800 0.344 0.000 2.462 393 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.220 393 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.220 393 G C 0.944 176.122 174.900 0.464 0.000 1.121 393 G CA 0.726 46.124 45.100 0.496 0.000 0.758 393 G HN 0.663 nan 8.290 nan 0.000 0.559 394 Q N 0.568 120.556 119.800 0.313 0.000 2.482 394 Q HA 0.014 4.353 4.340 -0.000 0.000 0.209 394 Q C 1.396 177.526 176.000 0.216 0.000 0.961 394 Q CA 0.492 56.434 55.803 0.232 0.000 0.945 394 Q CB 0.066 28.906 28.738 0.170 0.000 1.012 394 Q HN 0.393 nan 8.270 nan 0.000 0.515 395 D N -0.088 120.502 120.400 0.317 0.000 2.224 395 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 395 D C 0.269 176.669 176.300 0.166 0.000 0.965 395 D CA 0.737 54.889 54.000 0.255 0.000 0.852 395 D CB 0.306 41.361 40.800 0.424 0.000 0.947 395 D HN -0.050 nan 8.370 nan 0.000 0.494 396 S N 0.041 115.777 115.700 0.059 0.000 2.605 396 S HA 0.126 4.595 4.470 -0.000 0.000 0.142 396 S C -0.309 174.075 174.600 -0.360 0.000 1.452 396 S CA -0.583 57.448 58.200 -0.282 0.000 1.240 396 S CB -0.329 62.482 63.200 -0.650 0.000 1.538 396 S HN 0.190 nan 8.310 nan 0.000 0.394 397 T N -0.378 114.124 114.554 -0.086 0.000 2.860 397 T HA 0.330 4.679 4.350 -0.000 0.000 0.299 397 T C 1.737 176.421 174.700 -0.026 0.000 1.045 397 T CA -0.435 61.654 62.100 -0.019 0.000 1.071 397 T CB 0.845 69.747 68.868 0.056 0.000 0.985 397 T HN 0.125 nan 8.240 nan 0.000 0.537 398 V N 2.067 121.999 119.914 0.031 0.000 2.380 398 V HA -0.166 3.954 4.120 -0.000 0.000 0.251 398 V C 3.026 179.203 176.094 0.138 0.000 1.063 398 V CA 2.334 64.686 62.300 0.087 0.000 1.055 398 V CB -1.599 30.309 31.823 0.141 0.000 0.657 398 V HN 1.089 nan 8.190 nan 0.000 0.455 399 A N -0.901 121.963 122.820 0.074 0.000 2.119 399 A HA 0.429 4.749 4.320 -0.000 0.000 0.217 399 A C 1.453 179.018 177.584 -0.032 0.000 1.153 399 A CA 1.212 53.274 52.037 0.041 0.000 0.692 399 A CB -0.180 18.840 19.000 0.033 0.000 0.799 399 A HN 0.819 nan 8.150 nan 0.000 0.458 400 A N -0.216 122.565 122.820 -0.064 0.000 3.422 400 A HA 0.525 4.845 4.320 -0.000 0.000 0.271 400 A C -0.340 177.117 177.584 -0.212 0.000 1.104 400 A CA -0.712 51.223 52.037 -0.170 0.000 0.899 400 A CB -0.487 18.460 19.000 -0.088 0.000 1.309 400 A HN 0.573 nan 8.150 nan 0.000 0.580 401 Y N -1.137 119.042 120.300 -0.202 0.000 2.307 401 Y HA 0.692 5.242 4.550 -0.000 0.000 0.324 401 Y C -0.151 175.571 175.900 -0.296 0.000 1.238 401 Y CA -1.530 56.375 58.100 -0.325 0.000 1.280 401 Y CB 0.197 38.370 38.460 -0.480 0.000 1.248 401 Y HN 0.292 nan 8.280 nan 0.000 0.508 402 D N 1.481 121.831 120.400 -0.082 0.000 2.382 402 D HA 0.105 4.744 4.640 -0.000 0.000 0.240 402 D C -1.348 174.911 176.300 -0.069 0.000 1.146 402 D CA 0.278 54.265 54.000 -0.022 0.000 0.897 402 D CB 0.357 41.197 40.800 0.067 0.000 1.197 402 D HN 0.652 nan 8.370 nan 0.000 0.432 403 W N 1.067 122.370 121.300 0.006 0.000 2.573 403 W HA 0.510 5.170 4.660 -0.000 0.000 0.326 403 W C -0.266 176.163 176.519 -0.151 0.000 1.049 403 W CA -0.678 56.632 57.345 -0.058 0.000 1.220 403 W CB 0.958 30.388 29.460 -0.051 0.000 1.373 403 W HN 0.070 nan 8.180 nan 0.000 0.507 404 I N 3.864 124.467 120.570 0.055 0.000 2.354 404 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 404 I C 0.719 176.768 176.117 -0.113 0.000 1.007 404 I CA -0.310 60.882 61.300 -0.181 0.000 1.167 404 I CB 1.486 39.212 38.000 -0.457 0.000 1.320 404 I HN 0.710 nan 8.210 nan 0.000 0.458 405 A N 4.210 126.856 122.820 -0.289 0.000 2.267 405 A HA 0.059 4.379 4.320 -0.000 0.000 0.213 405 A C 0.919 178.431 177.584 -0.120 0.000 1.192 405 A CA 0.373 52.236 52.037 -0.291 0.000 0.851 405 A CB -0.106 18.497 19.000 -0.661 0.000 0.881 405 A HN 0.777 nan 8.150 nan 0.000 0.494 406 D N -2.029 118.348 120.400 -0.039 0.000 2.692 406 D HA 0.114 4.753 4.640 -0.000 0.000 0.290 406 D C -0.212 176.194 176.300 0.176 0.000 1.455 406 D CA -0.641 53.434 54.000 0.126 0.000 0.796 406 D CB -1.091 39.848 40.800 0.232 0.000 1.131 406 D HN 0.068 nan 8.370 nan 0.000 0.467 407 F N 2.192 122.144 119.950 0.003 0.000 2.607 407 F HA 0.161 4.688 4.527 -0.000 0.000 0.374 407 F C 0.411 176.262 175.800 0.086 0.000 1.104 407 F CA 0.671 58.695 58.000 0.040 0.000 1.296 407 F CB 0.681 39.652 39.000 -0.049 0.000 1.085 407 F HN -0.072 nan 8.300 nan 0.000 0.584 408 Q N 6.192 125.685 119.800 -0.512 0.000 2.381 408 Q HA 0.172 4.512 4.340 -0.000 0.000 0.263 408 Q C -0.512 175.234 176.000 -0.424 0.000 1.030 408 Q CA -0.895 54.734 55.803 -0.290 0.000 0.772 408 Q CB 1.596 30.222 28.738 -0.187 0.000 1.232 408 Q HN 0.544 nan 8.270 nan 0.000 0.476 409 K N 0.744 121.072 120.400 -0.120 0.000 2.489 409 K HA 0.052 4.372 4.320 -0.000 0.000 0.278 409 K C 0.899 177.468 176.600 -0.051 0.000 1.000 409 K CA 1.431 57.721 56.287 0.005 0.000 1.012 409 K CB 0.108 32.645 32.500 0.062 0.000 0.903 409 K HN 0.835 nan 8.250 nan 0.000 0.485 410 G N 3.322 112.113 108.800 -0.015 0.000 2.184 410 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 410 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 410 G C 0.629 175.505 174.900 -0.039 0.000 0.975 410 G CA 0.624 45.714 45.100 -0.016 0.000 0.642 410 G HN 0.650 nan 8.290 nan 0.000 0.536 411 I N -0.634 119.877 120.570 -0.099 0.000 3.746 411 I HA 0.223 4.393 4.170 -0.000 0.000 0.262 411 I C 0.663 176.710 176.117 -0.117 0.000 1.153 411 I CA -0.172 61.070 61.300 -0.096 0.000 1.395 411 I CB 0.029 37.968 38.000 -0.101 0.000 1.589 411 I HN -0.065 nan 8.210 nan 0.000 0.441 412 D N 2.616 122.846 120.400 -0.284 0.000 2.383 412 D HA 0.324 4.964 4.640 -0.000 0.000 0.248 412 D C -0.264 176.069 176.300 0.055 0.000 1.170 412 D CA 0.199 54.083 54.000 -0.194 0.000 0.977 412 D CB 0.917 41.495 40.800 -0.369 0.000 1.120 412 D HN 0.027 nan 8.370 nan 0.000 0.481 413 K N 0.353 120.962 120.400 0.349 0.000 2.435 413 K HA 0.564 4.884 4.320 -0.000 0.000 0.251 413 K C -0.650 176.368 176.600 0.695 0.000 0.954 413 K CA -0.741 55.838 56.287 0.487 0.000 0.820 413 K CB 2.275 34.945 32.500 0.285 0.000 1.292 413 K HN 0.289 nan 8.250 nan 0.000 0.436 414 I N 1.345 122.257 120.570 0.569 0.000 2.389 414 I HA 0.135 4.305 4.170 -0.000 0.000 0.288 414 I C -0.583 175.777 176.117 0.406 0.000 0.999 414 I CA -0.618 60.991 61.300 0.515 0.000 1.129 414 I CB 1.647 39.826 38.000 0.298 0.000 1.288 414 I HN 0.443 nan 8.210 nan 0.000 0.444 415 D N 7.772 128.433 120.400 0.435 0.000 2.392 415 D HA 0.319 4.959 4.640 -0.000 0.000 0.228 415 D C 0.036 176.559 176.300 0.373 0.000 1.074 415 D CA -0.236 53.971 54.000 0.344 0.000 0.838 415 D CB 1.410 42.397 40.800 0.312 0.000 1.067 415 D HN 0.463 nan 8.370 nan 0.000 0.511 416 L N 2.969 124.359 121.223 0.277 0.000 2.965 416 L HA 0.070 4.410 4.340 -0.000 0.000 0.254 416 L C 2.031 179.034 176.870 0.222 0.000 1.220 416 L CA -0.181 54.837 54.840 0.298 0.000 1.023 416 L CB 0.150 42.269 42.059 0.101 0.000 1.355 416 L HN 0.269 nan 8.230 nan 0.000 0.545 417 S N 0.130 115.898 115.700 0.113 0.000 2.447 417 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 417 S C 2.178 176.692 174.600 -0.143 0.000 1.006 417 S CA 0.759 58.967 58.200 0.014 0.000 0.957 417 S CB -0.090 63.125 63.200 0.024 0.000 0.773 417 S HN 0.397 nan 8.310 nan 0.000 0.507 418 A N 1.230 123.831 122.820 -0.366 0.000 2.032 418 A HA 0.003 4.323 4.320 -0.000 0.000 0.221 418 A C 1.669 179.005 177.584 -0.413 0.000 1.165 418 A CA 1.340 52.978 52.037 -0.665 0.000 0.645 418 A CB -1.147 17.291 19.000 -0.936 0.000 0.807 418 A HN 0.594 nan 8.150 nan 0.000 0.453 419 F N -0.288 119.546 119.950 -0.193 0.000 2.771 419 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 419 F C 2.228 177.950 175.800 -0.130 0.000 1.177 419 F CA 0.776 58.681 58.000 -0.159 0.000 1.450 419 F CB -0.176 38.708 39.000 -0.193 0.000 1.114 419 F HN 0.152 nan 8.300 nan 0.000 0.587 420 R N 0.628 121.131 120.500 0.005 0.000 2.148 420 R HA -0.159 4.181 4.340 -0.000 0.000 0.227 420 R C 1.836 178.122 176.300 -0.024 0.000 1.103 420 R CA 1.398 57.492 56.100 -0.010 0.000 0.983 420 R CB -0.867 29.418 30.300 -0.025 0.000 0.874 420 R HN 0.541 nan 8.270 nan 0.000 0.451 421 N N 1.458 120.126 118.700 -0.053 0.000 2.586 421 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 421 N C 0.697 176.196 175.510 -0.018 0.000 1.085 421 N CA 1.170 54.194 53.050 -0.043 0.000 0.921 421 N CB -0.038 38.410 38.487 -0.065 0.000 0.954 421 N HN 0.484 nan 8.380 nan 0.000 0.448 422 E N -0.638 119.562 120.200 -0.001 0.000 2.968 422 E HA 0.302 4.652 4.350 -0.000 0.000 0.202 422 E C -0.057 176.546 176.600 0.005 0.000 0.979 422 E CA -0.640 55.767 56.400 0.011 0.000 1.192 422 E CB 0.635 30.354 29.700 0.032 0.000 1.059 422 E HN 0.265 nan 8.360 nan 0.000 0.470 423 G N 1.749 110.547 108.800 -0.002 0.000 3.069 423 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 423 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 423 G C -0.911 173.979 174.900 -0.017 0.000 1.161 423 G CA -0.562 44.530 45.100 -0.013 0.000 0.804 423 G HN 0.271 nan 8.290 nan 0.000 0.608 424 Q N 0.803 120.589 119.800 -0.022 0.000 2.330 424 Q HA 0.421 4.761 4.340 -0.000 0.000 0.279 424 Q C 0.887 176.844 176.000 -0.071 0.000 1.024 424 Q CA -0.299 55.484 55.803 -0.034 0.000 0.900 424 Q CB 0.393 29.116 28.738 -0.024 0.000 1.221 424 Q HN 0.585 nan 8.270 nan 0.000 0.396 425 L N 2.481 123.632 121.223 -0.120 0.000 2.467 425 L HA 0.148 4.488 4.340 -0.000 0.000 0.270 425 L C -0.030 176.706 176.870 -0.223 0.000 1.205 425 L CA -0.070 54.648 54.840 -0.203 0.000 0.828 425 L CB 0.994 42.865 42.059 -0.313 0.000 1.101 425 L HN 0.651 nan 8.230 nan 0.000 0.479 426 S N 1.007 116.588 115.700 -0.198 0.000 2.532 426 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 426 S C -0.587 173.882 174.600 -0.218 0.000 1.083 426 S CA -0.667 57.440 58.200 -0.154 0.000 1.025 426 S CB 1.241 64.430 63.200 -0.019 0.000 1.056 426 S HN 0.197 nan 8.310 nan 0.000 0.494 427 F N 1.896 121.857 119.950 0.018 0.000 2.443 427 F HA 0.434 4.961 4.527 -0.000 0.000 0.353 427 F C 0.723 176.523 175.800 0.000 0.000 1.101 427 F CA -0.449 57.559 58.000 0.012 0.000 1.226 427 F CB 0.680 39.683 39.000 0.004 0.000 1.140 427 F HN 0.363 nan 8.300 nan 0.000 0.557 428 V N 0.716 120.732 119.914 0.170 0.000 2.960 428 V HA 0.454 4.574 4.120 -0.000 0.000 0.315 428 V C 0.105 176.203 176.094 0.008 0.000 1.087 428 V CA -0.814 61.514 62.300 0.047 0.000 0.982 428 V CB 2.008 33.801 31.823 -0.050 0.000 1.039 428 V HN 0.697 nan 8.190 nan 0.000 0.437 429 Q N 0.564 120.349 119.800 -0.026 0.000 2.107 429 Q HA 0.149 4.489 4.340 -0.000 0.000 0.195 429 Q C 0.519 176.478 176.000 -0.069 0.000 0.964 429 Q CA 1.718 57.502 55.803 -0.031 0.000 0.833 429 Q CB 0.184 28.908 28.738 -0.023 0.000 0.910 429 Q HN 0.950 nan 8.270 nan 0.000 0.465 430 D N -0.500 119.836 120.400 -0.107 0.000 2.497 430 D HA 0.077 4.717 4.640 -0.000 0.000 0.256 430 D C -0.059 176.125 176.300 -0.193 0.000 1.273 430 D CA 0.149 54.074 54.000 -0.126 0.000 0.812 430 D CB 1.224 41.983 40.800 -0.068 0.000 1.190 430 D HN 0.275 nan 8.370 nan 0.000 0.524 431 Q N -0.373 119.286 119.800 -0.235 0.000 2.435 431 Q HA 0.468 4.808 4.340 -0.000 0.000 0.282 431 Q C -1.500 174.346 176.000 -0.257 0.000 1.020 431 Q CA -0.774 54.892 55.803 -0.228 0.000 0.820 431 Q CB 1.421 30.104 28.738 -0.092 0.000 1.436 431 Q HN -0.206 nan 8.270 nan 0.000 0.395 432 F N 0.828 120.763 119.950 -0.024 0.000 2.399 432 F HA 0.322 4.849 4.527 -0.000 0.000 0.328 432 F C 1.581 177.395 175.800 0.024 0.000 1.084 432 F CA -0.084 57.926 58.000 0.016 0.000 1.053 432 F CB 2.100 41.115 39.000 0.025 0.000 1.209 432 F HN 0.848 nan 8.300 nan 0.000 0.502 433 T N -2.260 112.454 114.554 0.267 0.000 3.044 433 T HA 0.311 4.660 4.350 -0.000 0.000 0.255 433 T C 1.471 176.252 174.700 0.135 0.000 1.073 433 T CA 0.541 62.727 62.100 0.143 0.000 1.125 433 T CB 0.289 69.216 68.868 0.099 0.000 0.908 433 T HN 1.069 nan 8.240 nan 0.000 0.480 434 G N 1.490 110.404 108.800 0.189 0.000 2.201 434 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.212 434 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.212 434 G C 0.851 175.793 174.900 0.070 0.000 0.994 434 G CA 0.240 45.442 45.100 0.170 0.000 0.644 434 G HN 0.531 nan 8.290 nan 0.000 0.508 435 K N 0.752 121.165 120.400 0.022 0.000 2.365 435 K HA 0.407 4.727 4.320 -0.000 0.000 0.199 435 K C 1.535 178.038 176.600 -0.163 0.000 1.045 435 K CA 0.731 56.992 56.287 -0.044 0.000 0.962 435 K CB -0.068 32.423 32.500 -0.015 0.000 0.759 435 K HN 1.592 nan 8.250 nan 0.000 0.469 436 G N 0.970 109.578 108.800 -0.320 0.000 2.781 436 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.683 436 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.683 436 G C -0.747 173.975 174.900 -0.296 0.000 1.390 436 G CA -0.502 44.245 45.100 -0.588 0.000 0.850 436 G HN 0.121 nan 8.290 nan 0.000 0.557 437 Q N -0.801 118.818 119.800 -0.302 0.000 2.463 437 Q HA -0.149 4.190 4.340 -0.000 0.000 0.299 437 Q C 0.241 176.151 176.000 -0.150 0.000 1.353 437 Q CA 2.343 58.025 55.803 -0.202 0.000 0.828 437 Q CB -1.402 27.256 28.738 -0.134 0.000 1.157 437 Q HN 0.897 nan 8.270 nan 0.000 0.436 438 E N -1.376 118.769 120.200 -0.090 0.000 2.256 438 E HA 0.730 5.080 4.350 -0.000 0.000 0.267 438 E C -0.644 176.056 176.600 0.167 0.000 0.892 438 E CA -1.040 55.405 56.400 0.076 0.000 0.775 438 E CB 2.245 32.136 29.700 0.319 0.000 1.207 438 E HN -0.005 nan 8.360 nan 0.000 0.420 439 V N 2.840 122.793 119.914 0.064 0.000 2.604 439 V HA 0.484 4.603 4.120 -0.000 0.000 0.305 439 V C -0.445 175.741 176.094 0.154 0.000 1.043 439 V CA -0.683 61.649 62.300 0.054 0.000 0.888 439 V CB 1.755 33.421 31.823 -0.263 0.000 0.995 439 V HN 0.675 nan 8.190 nan 0.000 0.429 440 M N 5.293 125.016 119.600 0.205 0.000 2.457 440 M HA 0.651 5.131 4.480 -0.000 0.000 0.300 440 M C -2.212 174.189 176.300 0.169 0.000 1.141 440 M CA -0.636 54.721 55.300 0.095 0.000 0.901 440 M CB 2.187 34.646 32.600 -0.235 0.000 1.687 440 M HN 0.530 nan 8.290 nan 0.000 0.449 441 L N 4.349 125.649 121.223 0.129 0.000 2.322 441 L HA 0.507 4.846 4.340 -0.000 0.000 0.281 441 L C -0.660 176.286 176.870 0.127 0.000 1.014 441 L CA -0.756 54.148 54.840 0.107 0.000 0.815 441 L CB 1.856 43.959 42.059 0.073 0.000 1.247 441 L HN 0.620 nan 8.230 nan 0.000 0.421 442 Q N 3.390 123.287 119.800 0.162 0.000 2.330 442 Q HA 0.238 4.577 4.340 -0.000 0.000 0.269 442 Q C -1.252 174.882 176.000 0.223 0.000 1.022 442 Q CA -0.294 55.621 55.803 0.187 0.000 0.796 442 Q CB 3.001 31.882 28.738 0.239 0.000 1.271 442 Q HN 0.630 nan 8.270 nan 0.000 0.450 443 W N 3.949 125.256 121.300 0.013 0.000 2.365 443 W HA 0.237 4.897 4.660 -0.000 0.000 0.316 443 W C -0.870 175.658 176.519 0.015 0.000 1.164 443 W CA -0.297 57.052 57.345 0.007 0.000 1.204 443 W CB 1.233 30.696 29.460 0.005 0.000 1.213 443 W HN 0.528 nan 8.180 nan 0.000 0.539 444 D N 4.446 124.416 120.400 -0.716 0.000 2.461 444 D HA 0.359 4.999 4.640 -0.000 0.000 0.240 444 D C 0.676 176.330 176.300 -1.077 0.000 1.094 444 D CA -0.208 53.412 54.000 -0.635 0.000 0.868 444 D CB 1.475 42.057 40.800 -0.363 0.000 1.062 444 D HN 0.395 nan 8.370 nan 0.000 0.530 445 A N 3.482 125.818 122.820 -0.806 0.000 1.968 445 A HA 0.112 4.431 4.320 -0.000 0.000 0.217 445 A C 2.066 179.472 177.584 -0.296 0.000 1.169 445 A CA 1.467 53.179 52.037 -0.541 0.000 0.638 445 A CB -0.385 18.578 19.000 -0.061 0.000 0.812 445 A HN 0.612 nan 8.150 nan 0.000 0.446 446 A N 0.052 122.732 122.820 -0.234 0.000 1.930 446 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 446 A C 1.795 179.294 177.584 -0.142 0.000 1.175 446 A CA 1.623 53.581 52.037 -0.133 0.000 0.627 446 A CB -0.346 18.597 19.000 -0.095 0.000 0.815 446 A HN 0.535 nan 8.150 nan 0.000 0.443 447 N N -0.877 117.692 118.700 -0.218 0.000 2.282 447 N HA 0.057 4.797 4.740 -0.000 0.000 0.185 447 N C -0.231 175.157 175.510 -0.204 0.000 1.099 447 N CA 0.813 53.765 53.050 -0.163 0.000 0.878 447 N CB 0.491 38.911 38.487 -0.111 0.000 0.993 447 N HN 0.226 nan 8.380 nan 0.000 0.481 448 S N 0.729 116.171 115.700 -0.431 0.000 3.783 448 S HA -0.131 4.339 4.470 -0.000 0.000 0.360 448 S C -0.365 174.045 174.600 -0.316 0.000 1.006 448 S CA 0.377 58.288 58.200 -0.482 0.000 1.115 448 S CB -1.169 62.062 63.200 0.053 0.000 0.893 448 S HN 0.251 nan 8.310 nan 0.000 0.475 449 I N 1.314 121.594 120.570 -0.484 0.000 2.509 449 I HA 0.409 4.579 4.170 -0.000 0.000 0.293 449 I C 0.658 176.742 176.117 -0.055 0.000 1.020 449 I CA -0.305 60.942 61.300 -0.089 0.000 1.088 449 I CB 1.831 39.815 38.000 -0.026 0.000 1.267 449 I HN 0.069 nan 8.210 nan 0.000 0.430 450 T N 5.232 119.878 114.554 0.153 0.000 2.749 450 T HA 0.354 4.704 4.350 -0.000 0.000 0.287 450 T C 0.148 174.782 174.700 -0.110 0.000 0.970 450 T CA -0.580 61.605 62.100 0.142 0.000 0.980 450 T CB 0.479 69.460 68.868 0.189 0.000 0.924 450 T HN 0.291 nan 8.240 nan 0.000 0.456 451 N N 2.989 121.588 118.700 -0.169 0.000 2.419 451 N HA 0.287 5.027 4.740 -0.000 0.000 0.264 451 N C -0.762 174.484 175.510 -0.439 0.000 1.031 451 N CA -0.445 52.325 53.050 -0.467 0.000 0.951 451 N CB 1.148 39.359 38.487 -0.459 0.000 1.101 451 N HN 0.582 nan 8.380 nan 0.000 0.488 452 L N 3.412 124.325 121.223 -0.517 0.000 2.255 452 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 452 L C -1.065 175.592 176.870 -0.356 0.000 1.046 452 L CA -0.732 53.925 54.840 -0.305 0.000 0.816 452 L CB 0.432 42.348 42.059 -0.239 0.000 1.197 452 L HN 0.456 nan 8.230 nan 0.000 0.427 453 W N 5.916 127.241 121.300 0.041 0.000 2.551 453 W HA 0.597 5.257 4.660 -0.000 0.000 0.330 453 W C -0.682 175.966 176.519 0.215 0.000 1.063 453 W CA -0.484 56.946 57.345 0.142 0.000 1.222 453 W CB 1.607 31.229 29.460 0.270 0.000 1.349 453 W HN 0.299 nan 8.180 nan 0.000 0.536 454 L N 3.393 124.849 121.223 0.388 0.000 2.404 454 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 454 L C -0.729 176.108 176.870 -0.056 0.000 0.980 454 L CA -0.768 54.103 54.840 0.052 0.000 0.836 454 L CB 1.173 42.978 42.059 -0.423 0.000 1.238 454 L HN 0.549 nan 8.230 nan 0.000 0.408 455 H N 4.922 123.772 119.070 -0.366 0.000 2.761 455 H HA 0.235 4.791 4.556 -0.000 0.000 0.284 455 H C -0.703 174.423 175.328 -0.336 0.000 1.105 455 H CA -0.495 55.238 56.048 -0.525 0.000 1.352 455 H CB 0.934 30.081 29.762 -1.025 0.000 1.423 455 H HN 0.668 nan 8.280 nan 0.000 0.464 456 E N 3.498 123.588 120.200 -0.184 0.000 2.313 456 E HA 0.389 4.739 4.350 -0.000 0.000 0.272 456 E C -0.521 176.015 176.600 -0.107 0.000 1.038 456 E CA -0.892 55.383 56.400 -0.210 0.000 0.863 456 E CB 0.988 30.547 29.700 -0.234 0.000 1.060 456 E HN 0.764 nan 8.360 nan 0.000 0.402 457 A N 2.433 125.206 122.820 -0.078 0.000 2.567 457 A HA 0.345 4.665 4.320 -0.000 0.000 0.240 457 A C 1.142 178.778 177.584 0.087 0.000 1.053 457 A CA 0.870 52.882 52.037 -0.041 0.000 0.755 457 A CB -0.578 18.411 19.000 -0.019 0.000 0.978 457 A HN 1.007 nan 8.150 nan 0.000 0.507 458 G N 1.434 110.252 108.800 0.031 0.000 2.176 458 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.253 458 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.253 458 G C 0.141 175.023 174.900 -0.030 0.000 0.979 458 G CA 0.450 45.556 45.100 0.010 0.000 0.641 458 G HN 1.074 nan 8.290 nan 0.000 0.530 459 H N 0.595 119.677 119.070 0.020 0.000 2.504 459 H HA 0.448 5.003 4.556 -0.000 0.000 0.322 459 H C 0.984 176.391 175.328 0.131 0.000 1.055 459 H CA 0.191 56.283 56.048 0.074 0.000 1.231 459 H CB 1.776 31.601 29.762 0.104 0.000 1.417 459 H HN 0.173 nan 8.280 nan 0.000 0.472 460 S N 2.173 117.954 115.700 0.135 0.000 2.406 460 S HA -0.070 4.399 4.470 -0.000 0.000 0.228 460 S C 1.102 175.730 174.600 0.046 0.000 1.020 460 S CA 0.448 58.712 58.200 0.105 0.000 0.965 460 S CB 0.164 63.386 63.200 0.035 0.000 0.798 460 S HN 0.670 nan 8.310 nan 0.000 0.488 461 S N 0.582 116.297 115.700 0.025 0.000 2.664 461 S HA 0.621 5.091 4.470 -0.000 0.000 0.304 461 S C -0.405 174.094 174.600 -0.169 0.000 1.099 461 S CA -0.961 57.174 58.200 -0.108 0.000 1.003 461 S CB 1.423 64.598 63.200 -0.042 0.000 1.092 461 S HN -0.026 nan 8.310 nan 0.000 0.525 462 V N 2.388 122.114 119.914 -0.314 0.000 2.397 462 V HA 0.203 4.323 4.120 -0.000 0.000 0.262 462 V C -0.199 175.898 176.094 0.004 0.000 1.047 462 V CA -0.054 62.083 62.300 -0.271 0.000 1.003 462 V CB 0.061 31.664 31.823 -0.366 0.000 1.037 462 V HN 0.898 nan 8.190 nan 0.000 0.480 463 D N 3.399 123.834 120.400 0.058 0.000 2.431 463 D HA 0.182 4.822 4.640 -0.000 0.000 0.213 463 D C -0.258 176.133 176.300 0.151 0.000 1.130 463 D CA 0.346 54.415 54.000 0.116 0.000 0.834 463 D CB 0.727 41.614 40.800 0.145 0.000 0.985 463 D HN 0.478 nan 8.370 nan 0.000 0.504 464 F N 1.707 121.651 119.950 -0.010 0.000 2.547 464 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 464 F C -1.743 173.991 175.800 -0.109 0.000 1.121 464 F CA -1.223 56.735 58.000 -0.071 0.000 0.911 464 F CB 1.691 40.604 39.000 -0.145 0.000 1.179 464 F HN -0.244 nan 8.300 nan 0.000 0.443 465 L N 7.018 127.835 121.223 -0.677 0.000 2.526 465 L HA 0.760 5.100 4.340 -0.000 0.000 0.263 465 L C -2.063 174.248 176.870 -0.931 0.000 0.943 465 L CA -0.557 53.797 54.840 -0.810 0.000 0.859 465 L CB 2.115 43.627 42.059 -0.912 0.000 1.313 465 L HN 0.387 nan 8.230 nan 0.000 0.406 466 V N 4.988 124.393 119.914 -0.849 0.000 2.487 466 V HA 0.620 4.740 4.120 -0.000 0.000 0.298 466 V C -0.126 175.543 176.094 -0.709 0.000 1.028 466 V CA -0.578 61.300 62.300 -0.703 0.000 0.860 466 V CB 1.734 33.191 31.823 -0.611 0.000 0.991 466 V HN 0.746 nan 8.190 nan 0.000 0.427 467 R N 4.847 124.881 120.500 -0.777 0.000 2.368 467 R HA 0.713 5.053 4.340 -0.000 0.000 0.302 467 R C -1.107 174.987 176.300 -0.343 0.000 1.002 467 R CA -0.534 55.081 56.100 -0.809 0.000 0.929 467 R CB 1.766 31.132 30.300 -1.556 0.000 1.073 467 R HN 0.577 nan 8.270 nan 0.000 0.464 468 I N 2.481 122.963 120.570 -0.147 0.000 2.418 468 I HA 0.173 4.342 4.170 -0.000 0.000 0.287 468 I C -0.163 176.065 176.117 0.184 0.000 1.008 468 I CA -1.000 60.297 61.300 -0.005 0.000 1.104 468 I CB 2.257 40.153 38.000 -0.173 0.000 1.264 468 I HN 0.268 nan 8.210 nan 0.000 0.438 469 V N 6.264 126.319 119.914 0.235 0.000 2.341 469 V HA 0.642 4.761 4.120 -0.000 0.000 0.248 469 V C 0.777 176.985 176.094 0.190 0.000 1.107 469 V CA 0.142 62.550 62.300 0.179 0.000 1.069 469 V CB -0.864 30.985 31.823 0.044 0.000 1.177 469 V HN 1.069 nan 8.190 nan 0.000 0.492 470 G N 3.978 112.942 108.800 0.272 0.000 2.359 470 G HA2 0.067 4.027 3.960 -0.000 0.000 0.314 470 G HA3 0.067 4.027 3.960 -0.000 0.000 0.314 470 G C -1.177 173.950 174.900 0.378 0.000 1.364 470 G CA -0.988 44.302 45.100 0.316 0.000 0.978 470 G HN 0.415 nan 8.290 nan 0.000 0.615 471 Q N -0.661 119.252 119.800 0.187 0.000 2.368 471 Q HA 0.618 4.957 4.340 -0.000 0.000 0.237 471 Q C 0.220 176.296 176.000 0.126 0.000 0.987 471 Q CA 0.247 56.024 55.803 -0.043 0.000 0.896 471 Q CB 1.608 30.145 28.738 -0.335 0.000 1.241 471 Q HN 1.320 nan 8.270 nan 0.000 0.485 472 A N 0.429 123.286 122.820 0.062 0.000 2.515 472 A HA 0.783 5.103 4.320 -0.000 0.000 0.298 472 A C -1.478 176.139 177.584 0.056 0.000 1.059 472 A CA -0.500 51.629 52.037 0.154 0.000 0.698 472 A CB 1.658 20.640 19.000 -0.030 0.000 1.289 472 A HN 0.707 nan 8.150 nan 0.000 0.404 473 A N 0.180 123.055 122.820 0.092 0.000 2.294 473 A HA 0.596 4.916 4.320 -0.000 0.000 0.330 473 A C 0.896 178.460 177.584 -0.034 0.000 1.133 473 A CA 0.041 52.076 52.037 -0.003 0.000 0.836 473 A CB 0.857 19.848 19.000 -0.014 0.000 1.190 473 A HN 1.057 nan 8.150 nan 0.000 0.492 474 Q N 0.705 120.412 119.800 -0.155 0.000 2.135 474 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 474 Q C 1.594 177.398 176.000 -0.326 0.000 0.981 474 Q CA 2.331 57.904 55.803 -0.383 0.000 0.856 474 Q CB -0.175 28.200 28.738 -0.605 0.000 0.902 474 Q HN 0.906 nan 8.270 nan 0.000 0.425 475 S N -0.304 115.298 115.700 -0.163 0.000 2.561 475 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 475 S C 0.698 175.333 174.600 0.058 0.000 0.977 475 S CA 0.652 58.813 58.200 -0.065 0.000 0.926 475 S CB 0.160 63.334 63.200 -0.044 0.000 0.769 475 S HN 0.357 nan 8.310 nan 0.000 0.533 476 D N 1.131 121.601 120.400 0.117 0.000 2.349 476 D HA 0.174 4.814 4.640 -0.000 0.000 0.215 476 D C -0.046 176.434 176.300 0.301 0.000 1.016 476 D CA 0.261 54.414 54.000 0.255 0.000 0.870 476 D CB 0.139 41.205 40.800 0.443 0.000 0.917 476 D HN 0.365 nan 8.370 nan 0.000 0.524 477 I N 2.173 122.902 120.570 0.265 0.000 2.339 477 I HA 0.163 4.332 4.170 -0.000 0.000 0.290 477 I C 0.072 176.413 176.117 0.373 0.000 0.994 477 I CA -1.011 60.494 61.300 0.343 0.000 1.191 477 I CB 1.213 39.500 38.000 0.478 0.000 1.343 477 I HN -0.243 nan 8.210 nan 0.000 0.458 478 I N 7.826 128.565 120.570 0.282 0.000 2.301 478 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 478 I C 0.564 176.779 176.117 0.164 0.000 1.046 478 I CA -0.350 61.086 61.300 0.227 0.000 1.282 478 I CB 0.709 38.828 38.000 0.198 0.000 1.409 478 I HN 0.304 nan 8.210 nan 0.000 0.484 479 V N 0.000 119.991 119.914 0.128 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 479 V CA 0.000 62.301 62.300 0.002 0.000 1.235 479 V CB 0.000 31.699 31.823 -0.207 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556