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 3n6r_1_C DATA FIRST_RESID 63 DATA SEQUENCE FNKILIANRG EIACRVIKTA RKMGISTVAI YSDADKQALH VQMADEAVHI DATA SEQUENCE GPPPANQSYI VIDKVMAAIR ATGAQAVHPG YGFLSENSKF AEALEAEGVI DATA SEQUENCE FVGPPKGAIE AMGDKITSKK IAQEANVSTV PGXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XVTQPRHIEI QVLCDSHGNG IYLGERECSI QRRNQKVVEE APSPFLDEAT DATA SEQUENCE RRAMGEQAVA LAKAVGYASA GTVEFIVDGQ KNFYFLEMNT RLQVEHPVTE DATA SEQUENCE LITGVDLVEQ MIRVAAGEPL SITQGDVKLT GWAIENRLYA EDPYRGFXLP DATA SEQUENCE SIGRLTRYRE XXXXXAVRND TGVYEGGEIS MYYDPMIAKL CTWAPTRAAA DATA SEQUENCE IEAMRIALDS FEVEGIGHNL PFLSAVMDHP KFISGDMTTA FIAEEYPEGF DATA SEQUENCE EGVNLPETDL RRVAAAAAAM HRVAEIRRTR VSGRMDXNHE RRVGTEWVVT DATA SEQUENCE LQGADFPVTI AADHDGSTVS FDXDGSSMRV TSDWTPGDQL ANLMVDGAPL DATA SEQUENCE VLKVGKISXX GGFRIRTRGA DLKVHVRTPR QAELARLMPE KLPPDTSKML DATA SEQUENCE LCPMPGLIVK VDVEVGQEVQ EGQALCTIEA MKMENILRAE KKGVVAKINA DATA SEQUENCE SAGNSLAVDD VIMEFE 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 63 F HA 0.000 nan 4.527 nan 0.000 0.279 63 F C 0.000 175.810 175.800 0.017 0.000 0.967 63 F CA 0.000 58.011 58.000 0.019 0.000 1.383 63 F CB 0.000 39.011 39.000 0.019 0.000 1.145 64 N N -0.051 118.743 118.700 0.156 0.000 3.555 64 N HA 0.165 4.905 4.740 0.000 0.000 0.304 64 N C -1.472 174.082 175.510 0.072 0.000 1.165 64 N CA -1.124 51.988 53.050 0.104 0.000 0.853 64 N CB 0.417 38.952 38.487 0.080 0.000 3.588 64 N HN 0.216 nan 8.380 nan 0.000 0.711 65 K N 1.723 122.154 120.400 0.051 0.000 2.160 65 K HA 0.133 4.454 4.320 0.000 0.000 0.263 65 K C -0.260 176.364 176.600 0.040 0.000 1.120 65 K CA 0.195 56.508 56.287 0.043 0.000 1.115 65 K CB -0.818 31.703 32.500 0.034 0.000 0.971 65 K HN 0.433 nan 8.250 nan 0.000 0.400 66 I N 1.737 122.336 120.570 0.049 0.000 2.362 66 I HA 0.322 4.492 4.170 0.000 0.000 0.289 66 I C -0.497 175.654 176.117 0.057 0.000 0.994 66 I CA -1.004 60.326 61.300 0.050 0.000 1.158 66 I CB 0.697 38.732 38.000 0.060 0.000 1.315 66 I HN 0.394 nan 8.210 nan 0.000 0.451 67 L N 6.548 127.807 121.223 0.060 0.000 2.468 67 L HA 0.560 4.900 4.340 0.000 0.000 0.254 67 L C -0.830 176.087 176.870 0.078 0.000 1.171 67 L CA -0.319 54.563 54.840 0.070 0.000 0.809 67 L CB 1.126 43.230 42.059 0.075 0.000 1.155 67 L HN 0.615 nan 8.230 nan 0.000 0.473 68 I N 1.824 122.438 120.570 0.074 0.000 2.466 68 I HA 0.360 4.530 4.170 0.000 0.000 0.289 68 I C 0.474 176.629 176.117 0.064 0.000 1.026 68 I CA 0.070 61.398 61.300 0.047 0.000 1.078 68 I CB 1.852 39.847 38.000 -0.009 0.000 1.249 68 I HN 0.629 nan 8.210 nan 0.000 0.429 69 A N 4.810 127.661 122.820 0.052 0.000 2.251 69 A HA 0.238 4.558 4.320 0.000 0.000 0.209 69 A C 0.817 178.473 177.584 0.120 0.000 1.187 69 A CA 0.391 52.458 52.037 0.050 0.000 0.823 69 A CB -0.519 18.419 19.000 -0.104 0.000 0.846 69 A HN 0.786 nan 8.150 nan 0.000 0.486 70 N N -0.977 117.731 118.700 0.013 0.000 2.992 70 N HA 0.608 5.348 4.740 0.000 0.000 0.338 70 N C 0.391 175.714 175.510 -0.311 0.000 1.376 70 N CA -0.576 52.413 53.050 -0.103 0.000 0.778 70 N CB 0.949 39.230 38.487 -0.342 0.000 1.232 70 N HN 0.410 nan 8.380 nan 0.000 0.581 71 R N -1.361 118.799 120.500 -0.567 0.000 3.780 71 R HA 0.458 4.798 4.340 0.000 0.000 0.170 71 R C 0.670 176.594 176.300 -0.628 0.000 0.814 71 R CA -0.124 55.454 56.100 -0.870 0.000 0.602 71 R CB -0.651 29.134 30.300 -0.859 0.000 1.379 71 R HN 0.640 nan 8.270 nan 0.000 0.356 72 G N 0.931 109.443 108.800 -0.479 0.000 2.551 72 G HA2 -0.470 3.490 3.960 0.000 0.000 0.383 72 G HA3 -0.470 3.490 3.960 0.000 0.000 0.383 72 G C 0.771 175.550 174.900 -0.202 0.000 1.370 72 G CA 1.517 46.450 45.100 -0.278 0.000 0.940 72 G HN 0.919 nan 8.290 nan 0.000 0.524 73 E N -0.703 119.409 120.200 -0.147 0.000 2.051 73 E HA -0.030 4.320 4.350 0.000 0.000 0.192 73 E C 2.539 179.065 176.600 -0.122 0.000 0.991 73 E CA 1.746 58.092 56.400 -0.090 0.000 0.799 73 E CB -0.233 29.448 29.700 -0.032 0.000 0.748 73 E HN 0.572 nan 8.360 nan 0.000 0.449 74 I N 1.517 121.965 120.570 -0.203 0.000 2.151 74 I HA -0.286 3.884 4.170 0.000 0.000 0.243 74 I C 2.316 178.248 176.117 -0.308 0.000 1.080 74 I CA 1.668 62.790 61.300 -0.297 0.000 1.339 74 I CB -0.873 36.703 38.000 -0.706 0.000 1.039 74 I HN 0.265 nan 8.210 nan 0.000 0.409 75 A N -0.430 122.188 122.820 -0.337 0.000 1.873 75 A HA -0.296 4.024 4.320 0.000 0.000 0.218 75 A C 2.491 179.985 177.584 -0.150 0.000 1.193 75 A CA 2.235 54.102 52.037 -0.283 0.000 0.629 75 A CB -1.645 17.126 19.000 -0.382 0.000 0.826 75 A HN 0.623 nan 8.150 nan 0.000 0.447 76 C N -1.289 117.956 119.300 -0.091 0.000 2.393 76 C HA -0.116 4.344 4.460 0.000 0.000 0.276 76 C C 2.738 177.699 174.990 -0.048 0.000 1.215 76 C CA 1.376 60.375 59.018 -0.033 0.000 1.743 76 C CB -1.374 26.357 27.740 -0.016 0.000 2.044 76 C HN 0.743 nan 8.230 nan 0.000 0.464 77 R N 1.127 121.589 120.500 -0.063 0.000 2.134 77 R HA -0.172 4.168 4.340 0.000 0.000 0.248 77 R C 2.048 178.313 176.300 -0.058 0.000 1.143 77 R CA 2.371 58.451 56.100 -0.034 0.000 0.957 77 R CB -1.216 29.081 30.300 -0.004 0.000 0.867 77 R HN 0.431 nan 8.270 nan 0.000 0.441 78 V N -0.199 119.631 119.914 -0.140 0.000 2.302 78 V HA -0.082 4.038 4.120 0.000 0.000 0.243 78 V C 2.203 178.256 176.094 -0.069 0.000 1.036 78 V CA 1.840 64.047 62.300 -0.155 0.000 1.020 78 V CB -0.275 31.345 31.823 -0.339 0.000 0.657 78 V HN 0.422 nan 8.190 nan 0.000 0.453 79 I N 0.336 120.870 120.570 -0.060 0.000 2.145 79 I HA -0.348 3.823 4.170 0.000 0.000 0.244 79 I C 2.580 178.696 176.117 -0.001 0.000 1.075 79 I CA 2.449 63.741 61.300 -0.014 0.000 1.332 79 I CB -0.550 37.453 38.000 0.004 0.000 1.033 79 I HN 0.349 nan 8.210 nan 0.000 0.410 80 K N 0.279 120.676 120.400 -0.005 0.000 2.360 80 K HA -0.147 4.173 4.320 0.000 0.000 0.201 80 K C 1.792 178.396 176.600 0.006 0.000 1.046 80 K CA 1.530 57.820 56.287 0.003 0.000 0.945 80 K CB 0.059 32.562 32.500 0.004 0.000 0.750 80 K HN 0.313 nan 8.250 nan 0.000 0.464 81 T N -0.006 114.551 114.554 0.005 0.000 2.983 81 T HA 0.097 4.447 4.350 0.000 0.000 0.250 81 T C 1.779 176.492 174.700 0.022 0.000 1.037 81 T CA 0.688 62.796 62.100 0.013 0.000 1.142 81 T CB -0.053 68.825 68.868 0.017 0.000 0.876 81 T HN 0.324 nan 8.240 nan 0.000 0.455 82 A N 2.209 125.044 122.820 0.025 0.000 1.849 82 A HA -0.183 4.137 4.320 0.000 0.000 0.217 82 A C 2.240 179.845 177.584 0.036 0.000 1.202 82 A CA 1.965 54.027 52.037 0.042 0.000 0.629 82 A CB -0.674 18.352 19.000 0.043 0.000 0.834 82 A HN 0.368 nan 8.150 nan 0.000 0.447 83 R N -0.388 120.128 120.500 0.027 0.000 2.241 83 R HA -0.094 4.246 4.340 0.000 0.000 0.224 83 R C 2.063 178.372 176.300 0.014 0.000 1.101 83 R CA 1.522 57.635 56.100 0.022 0.000 0.995 83 R CB -0.177 30.135 30.300 0.020 0.000 0.870 83 R HN 0.577 nan 8.270 nan 0.000 0.463 84 K N -0.225 120.182 120.400 0.011 0.000 2.365 84 K HA -0.012 4.308 4.320 0.000 0.000 0.199 84 K C 0.669 177.269 176.600 -0.001 0.000 1.045 84 K CA 0.859 57.148 56.287 0.004 0.000 0.962 84 K CB 0.266 32.767 32.500 0.003 0.000 0.759 84 K HN 0.152 nan 8.250 nan 0.000 0.469 85 M N 0.806 120.408 119.600 0.004 0.000 2.959 85 M HA 0.207 4.687 4.480 0.000 0.000 0.337 85 M C -0.127 176.171 176.300 -0.004 0.000 1.220 85 M CA -0.309 54.986 55.300 -0.008 0.000 0.893 85 M CB 1.395 33.992 32.600 -0.004 0.000 1.322 85 M HN 0.185 nan 8.290 nan 0.000 0.519 86 G N 2.461 111.263 108.800 0.002 0.000 2.144 86 G HA2 -0.217 3.743 3.960 0.000 0.000 0.251 86 G HA3 -0.217 3.743 3.960 0.000 0.000 0.251 86 G C -0.508 174.409 174.900 0.028 0.000 0.780 86 G CA 0.262 45.368 45.100 0.009 0.000 1.183 86 G HN 0.667 nan 8.290 nan 0.000 0.345 87 I N 0.561 121.157 120.570 0.042 0.000 2.500 87 I HA 0.174 4.344 4.170 0.000 0.000 0.286 87 I C 0.544 176.696 176.117 0.058 0.000 1.063 87 I CA -0.864 60.477 61.300 0.068 0.000 1.062 87 I CB 2.038 40.092 38.000 0.089 0.000 1.223 87 I HN 0.150 nan 8.210 nan 0.000 0.435 88 S N 4.172 119.906 115.700 0.058 0.000 2.973 88 S HA 0.004 4.474 4.470 0.000 0.000 0.357 88 S C 0.493 175.123 174.600 0.050 0.000 1.159 88 S CA 0.159 58.388 58.200 0.049 0.000 1.423 88 S CB -0.518 62.710 63.200 0.047 0.000 1.115 88 S HN 0.588 nan 8.310 nan 0.000 0.563 89 T N 3.108 117.689 114.554 0.046 0.000 2.899 89 T HA 0.508 4.858 4.350 0.000 0.000 0.295 89 T C 0.217 174.949 174.700 0.054 0.000 1.033 89 T CA -0.637 61.492 62.100 0.048 0.000 1.084 89 T CB 0.857 69.751 68.868 0.043 0.000 0.979 89 T HN 0.316 nan 8.240 nan 0.000 0.532 90 V N 0.211 120.162 119.914 0.062 0.000 3.120 90 V HA 0.837 4.957 4.120 0.000 0.000 0.303 90 V C -0.401 175.749 176.094 0.095 0.000 1.238 90 V CA -1.029 61.315 62.300 0.073 0.000 1.008 90 V CB 1.984 33.844 31.823 0.062 0.000 1.064 90 V HN 1.247 nan 8.190 nan 0.000 0.434 91 A N 3.050 125.946 122.820 0.126 0.000 2.552 91 A HA 1.036 5.356 4.320 0.000 0.000 0.288 91 A C -1.179 176.519 177.584 0.190 0.000 1.193 91 A CA -0.522 51.627 52.037 0.186 0.000 0.713 91 A CB 1.998 21.169 19.000 0.285 0.000 1.305 91 A HN 1.473 nan 8.150 nan 0.000 0.424 92 I N -2.672 118.045 120.570 0.245 0.000 3.174 92 I HA 0.969 5.139 4.170 0.000 0.000 0.313 92 I C -1.323 174.987 176.117 0.322 0.000 1.155 92 I CA -1.192 60.172 61.300 0.106 0.000 0.977 92 I CB 2.467 40.455 38.000 -0.020 0.000 1.248 92 I HN 1.133 nan 8.210 nan 0.000 0.453 93 Y N 1.011 121.338 120.300 0.044 0.000 2.465 93 Y HA 0.577 5.127 4.550 0.000 0.000 0.323 93 Y C -0.296 175.558 175.900 -0.076 0.000 1.191 93 Y CA -0.531 57.643 58.100 0.123 0.000 1.082 93 Y CB -0.089 38.473 38.460 0.171 0.000 1.334 93 Y HN 0.901 nan 8.280 nan 0.000 0.449 94 S N 0.887 116.614 115.700 0.046 0.000 2.502 94 S HA 0.160 4.630 4.470 0.000 0.000 0.251 94 S C 0.255 174.987 174.600 0.219 0.000 1.254 94 S CA 0.795 59.010 58.200 0.025 0.000 0.989 94 S CB 0.357 63.666 63.200 0.182 0.000 1.015 94 S HN 0.761 nan 8.310 nan 0.000 0.529 95 D N 1.376 121.865 120.400 0.149 0.000 2.154 95 D HA 0.155 4.795 4.640 0.000 0.000 0.211 95 D C 1.336 177.709 176.300 0.121 0.000 0.977 95 D CA 1.560 55.641 54.000 0.134 0.000 0.869 95 D CB -0.932 39.898 40.800 0.050 0.000 1.022 95 D HN 0.693 nan 8.370 nan 0.000 0.461 96 A N 0.580 123.442 122.820 0.070 0.000 2.900 96 A HA 0.038 4.358 4.320 0.000 0.000 0.246 96 A C 0.430 178.091 177.584 0.129 0.000 1.725 96 A CA 0.560 52.626 52.037 0.048 0.000 1.400 96 A CB -0.473 18.484 19.000 -0.071 0.000 0.973 96 A HN 0.097 nan 8.150 nan 0.000 0.635 97 D N -1.108 119.371 120.400 0.132 0.000 2.742 97 D HA -0.003 4.637 4.640 0.000 0.000 0.302 97 D C 1.177 177.461 176.300 -0.026 0.000 1.588 97 D CA 0.021 54.085 54.000 0.107 0.000 0.873 97 D CB 0.272 41.240 40.800 0.281 0.000 1.418 97 D HN 0.406 nan 8.370 nan 0.000 0.420 98 K N 1.091 121.442 120.400 -0.083 0.000 2.217 98 K HA -0.125 4.195 4.320 0.000 0.000 0.202 98 K C 2.110 178.517 176.600 -0.321 0.000 1.051 98 K CA 1.658 57.727 56.287 -0.362 0.000 0.952 98 K CB 0.241 32.639 32.500 -0.171 0.000 0.736 98 K HN 0.223 nan 8.250 nan 0.000 0.453 99 Q N 0.228 119.933 119.800 -0.159 0.000 2.033 99 Q HA 0.156 4.496 4.340 0.000 0.000 0.196 99 Q C 0.604 176.483 176.000 -0.201 0.000 0.970 99 Q CA 0.622 56.379 55.803 -0.075 0.000 0.828 99 Q CB -0.692 28.078 28.738 0.053 0.000 0.895 99 Q HN 0.165 nan 8.270 nan 0.000 0.440 100 A N 1.581 124.228 122.820 -0.289 0.000 2.512 100 A HA -0.168 4.152 4.320 0.000 0.000 0.276 100 A C 0.883 178.207 177.584 -0.433 0.000 0.917 100 A CA 0.376 52.184 52.037 -0.382 0.000 1.061 100 A CB -0.073 18.772 19.000 -0.258 0.000 0.761 100 A HN 0.559 nan 8.150 nan 0.000 0.396 101 L N 3.445 124.418 121.223 -0.416 0.000 2.189 101 L HA -0.218 4.122 4.340 0.000 0.000 0.214 101 L C 2.505 179.294 176.870 -0.136 0.000 1.097 101 L CA 2.946 57.639 54.840 -0.246 0.000 0.764 101 L CB -0.778 41.154 42.059 -0.211 0.000 0.900 101 L HN 0.971 nan 8.230 nan 0.000 0.436 102 H N -2.284 116.711 119.070 -0.124 0.000 2.357 102 H HA -0.048 4.508 4.556 0.000 0.000 0.301 102 H C 2.020 177.326 175.328 -0.037 0.000 1.082 102 H CA 1.604 57.608 56.048 -0.072 0.000 1.342 102 H CB -1.154 28.563 29.762 -0.074 0.000 1.389 102 H HN 0.249 nan 8.280 nan 0.000 0.511 103 V N 2.588 122.050 119.914 -0.753 0.000 2.220 103 V HA -0.377 3.743 4.120 0.000 0.000 0.250 103 V C 2.963 178.950 176.094 -0.178 0.000 1.056 103 V CA 2.907 64.943 62.300 -0.440 0.000 1.016 103 V CB -1.072 30.407 31.823 -0.573 0.000 0.639 103 V HN 0.610 nan 8.190 nan 0.000 0.446 104 Q N -0.587 119.111 119.800 -0.169 0.000 2.437 104 Q HA -0.134 4.206 4.340 0.000 0.000 0.210 104 Q C 1.937 177.920 176.000 -0.028 0.000 0.972 104 Q CA 1.624 57.383 55.803 -0.073 0.000 0.903 104 Q CB -0.339 28.375 28.738 -0.041 0.000 0.967 104 Q HN 0.610 nan 8.270 nan 0.000 0.486 105 M N 0.555 120.144 119.600 -0.019 0.000 2.447 105 M HA 0.165 4.645 4.480 0.000 0.000 0.264 105 M C 0.963 177.276 176.300 0.022 0.000 1.095 105 M CA 0.411 55.717 55.300 0.010 0.000 1.125 105 M CB 0.220 32.833 32.600 0.021 0.000 1.389 105 M HN 0.263 nan 8.290 nan 0.000 0.459 106 A N 0.561 123.400 122.820 0.031 0.000 2.287 106 A HA 0.161 4.481 4.320 0.000 0.000 0.273 106 A C 0.128 177.734 177.584 0.037 0.000 1.091 106 A CA -0.473 51.592 52.037 0.045 0.000 0.817 106 A CB 0.290 19.335 19.000 0.076 0.000 1.069 106 A HN 0.218 nan 8.150 nan 0.000 0.492 107 D N 0.219 120.643 120.400 0.041 0.000 2.349 107 D HA 0.165 4.805 4.640 0.000 0.000 0.224 107 D C 0.104 176.430 176.300 0.043 0.000 1.029 107 D CA 0.973 54.994 54.000 0.036 0.000 0.879 107 D CB 0.233 41.054 40.800 0.034 0.000 0.906 107 D HN 0.679 nan 8.370 nan 0.000 0.528 108 E N -1.097 119.136 120.200 0.056 0.000 2.439 108 E HA 0.730 5.080 4.350 0.000 0.000 0.279 108 E C -1.473 175.187 176.600 0.101 0.000 1.077 108 E CA -1.078 55.364 56.400 0.069 0.000 0.849 108 E CB 2.108 31.846 29.700 0.062 0.000 1.408 108 E HN -0.073 nan 8.360 nan 0.000 0.457 109 A N 0.442 123.343 122.820 0.134 0.000 2.573 109 A HA 0.561 4.881 4.320 0.000 0.000 0.299 109 A C -1.595 176.125 177.584 0.226 0.000 1.060 109 A CA -0.636 51.538 52.037 0.227 0.000 0.736 109 A CB 1.023 20.202 19.000 0.298 0.000 1.280 109 A HN 0.621 nan 8.150 nan 0.000 0.401 110 V N 1.135 121.098 119.914 0.081 0.000 2.656 110 V HA 0.818 4.938 4.120 0.000 0.000 0.307 110 V C 0.291 176.033 176.094 -0.586 0.000 1.051 110 V CA -0.715 61.514 62.300 -0.118 0.000 0.893 110 V CB 1.384 33.120 31.823 -0.146 0.000 0.999 110 V HN 1.369 nan 8.190 nan 0.000 0.426 111 H N 4.521 123.209 119.070 -0.637 0.000 2.711 111 H HA 0.445 5.001 4.556 0.000 0.000 0.381 111 H C 0.302 175.320 175.328 -0.517 0.000 1.535 111 H CA 0.153 55.688 56.048 -0.856 0.000 1.470 111 H CB 1.378 30.911 29.762 -0.382 0.000 1.551 111 H HN 1.018 nan 8.280 nan 0.000 0.613 112 I N -4.473 115.776 120.570 -0.534 0.000 3.439 112 I HA 0.486 4.656 4.170 0.000 0.000 0.321 112 I C 0.351 176.325 176.117 -0.237 0.000 1.435 112 I CA -0.042 60.982 61.300 -0.461 0.000 0.914 112 I CB 0.314 38.018 38.000 -0.493 0.000 1.807 112 I HN 0.997 nan 8.210 nan 0.000 0.681 113 G N 2.345 111.113 108.800 -0.053 0.000 2.472 113 G HA2 -0.110 3.850 3.960 0.000 0.000 0.205 113 G HA3 -0.110 3.850 3.960 0.000 0.000 0.205 113 G C -3.096 171.797 174.900 -0.012 0.000 1.270 113 G CA -0.300 44.794 45.100 -0.010 0.000 0.974 113 G HN 0.223 nan 8.290 nan 0.000 0.542 114 P HA 0.228 nan 4.420 nan 0.000 0.275 114 P C -1.783 175.544 177.300 0.043 0.000 1.270 114 P CA 0.004 63.117 63.100 0.021 0.000 0.791 114 P CB 0.809 32.530 31.700 0.034 0.000 1.089 115 P HA 0.019 nan 4.420 nan 0.000 0.216 115 P C -1.725 175.705 177.300 0.217 0.000 1.153 115 P CA 1.839 64.958 63.100 0.032 0.000 0.848 115 P CB -1.953 29.414 31.700 -0.555 0.000 0.787 116 P HA 0.074 nan 4.420 nan 0.000 0.271 116 P C 0.749 178.095 177.300 0.077 0.000 1.216 116 P CA 0.511 63.705 63.100 0.158 0.000 0.771 116 P CB 0.207 31.971 31.700 0.107 0.000 0.864 117 A N 3.882 126.723 122.820 0.035 0.000 2.119 117 A HA -0.114 4.206 4.320 0.000 0.000 0.216 117 A C 1.380 178.918 177.584 -0.078 0.000 1.152 117 A CA 0.761 52.814 52.037 0.026 0.000 0.708 117 A CB -0.964 17.971 19.000 -0.110 0.000 0.805 117 A HN 0.680 nan 8.150 nan 0.000 0.460 118 N N -0.350 118.314 118.700 -0.060 0.000 2.471 118 N HA -0.042 4.698 4.740 0.000 0.000 0.205 118 N C 0.228 175.715 175.510 -0.038 0.000 1.251 118 N CA 0.536 53.553 53.050 -0.055 0.000 0.843 118 N CB -0.034 38.429 38.487 -0.040 0.000 1.044 118 N HN 0.675 nan 8.380 nan 0.000 0.461 119 Q N -1.092 118.684 119.800 -0.040 0.000 1.778 119 Q HA 0.075 4.415 4.340 0.000 0.000 0.170 119 Q C 0.120 176.080 176.000 -0.068 0.000 0.765 119 Q CA 0.145 55.927 55.803 -0.035 0.000 0.842 119 Q CB 0.732 29.467 28.738 -0.005 0.000 1.226 119 Q HN 0.472 nan 8.270 nan 0.000 0.387 120 S N -2.087 113.547 115.700 -0.110 0.000 3.798 120 S HA 0.069 4.539 4.470 0.000 0.000 0.227 120 S C 0.893 175.290 174.600 -0.339 0.000 1.126 120 S CA -0.160 57.901 58.200 -0.233 0.000 1.030 120 S CB -0.325 62.713 63.200 -0.270 0.000 1.189 120 S HN 0.166 nan 8.310 nan 0.000 0.464 121 Y N 1.711 121.905 120.300 -0.177 0.000 2.497 121 Y HA 0.543 5.093 4.550 0.000 0.000 0.265 121 Y C 1.937 177.587 175.900 -0.416 0.000 1.111 121 Y CA 0.114 58.032 58.100 -0.304 0.000 1.288 121 Y CB 0.013 38.200 38.460 -0.455 0.000 1.082 121 Y HN 0.284 nan 8.280 nan 0.000 0.536 122 I N -1.586 118.849 120.570 -0.226 0.000 2.927 122 I HA -0.027 4.143 4.170 0.000 0.000 0.268 122 I C 0.236 176.285 176.117 -0.114 0.000 1.153 122 I CA 0.095 61.270 61.300 -0.208 0.000 1.459 122 I CB 0.065 37.959 38.000 -0.177 0.000 1.149 122 I HN -0.308 nan 8.210 nan 0.000 0.443 123 V N 4.242 124.102 119.914 -0.090 0.000 2.536 123 V HA -0.135 3.985 4.120 0.000 0.000 0.287 123 V C 1.536 177.623 176.094 -0.013 0.000 0.979 123 V CA 0.773 63.045 62.300 -0.046 0.000 1.161 123 V CB -0.205 31.584 31.823 -0.057 0.000 0.915 123 V HN 0.277 nan 8.190 nan 0.000 0.467 124 I N 2.474 123.071 120.570 0.046 0.000 2.493 124 I HA -0.106 4.064 4.170 0.000 0.000 0.254 124 I C 1.848 178.030 176.117 0.107 0.000 1.160 124 I CA 0.834 62.223 61.300 0.148 0.000 1.445 124 I CB -0.296 37.831 38.000 0.210 0.000 1.086 124 I HN 0.635 nan 8.210 nan 0.000 0.433 125 D N 1.654 122.082 120.400 0.046 0.000 2.077 125 D HA -0.150 4.490 4.640 0.000 0.000 0.196 125 D C 2.069 178.370 176.300 0.002 0.000 0.986 125 D CA 1.040 55.053 54.000 0.022 0.000 0.829 125 D CB -0.271 40.532 40.800 0.006 0.000 0.983 125 D HN 0.197 nan 8.370 nan 0.000 0.453 126 K N 0.976 121.360 120.400 -0.026 0.000 2.000 126 K HA -0.137 4.183 4.320 0.000 0.000 0.218 126 K C 2.450 179.007 176.600 -0.072 0.000 1.053 126 K CA 0.678 56.919 56.287 -0.077 0.000 0.946 126 K CB -0.990 31.440 32.500 -0.117 0.000 0.723 126 K HN 0.074 nan 8.250 nan 0.000 0.446 127 V N 1.647 121.545 119.914 -0.028 0.000 2.220 127 V HA -0.338 3.782 4.120 0.000 0.000 0.250 127 V C 2.535 178.668 176.094 0.065 0.000 1.056 127 V CA 2.301 64.621 62.300 0.033 0.000 1.016 127 V CB -0.545 31.366 31.823 0.148 0.000 0.639 127 V HN 0.260 nan 8.190 nan 0.000 0.446 128 M N 0.483 120.142 119.600 0.099 0.000 2.226 128 M HA -0.240 4.240 4.480 0.000 0.000 0.257 128 M C 2.234 178.540 176.300 0.010 0.000 1.070 128 M CA 2.408 57.739 55.300 0.053 0.000 1.087 128 M CB -1.333 31.289 32.600 0.037 0.000 1.278 128 M HN 0.365 nan 8.290 nan 0.000 0.426 129 A N -0.849 121.966 122.820 -0.007 0.000 1.985 129 A HA -0.222 4.098 4.320 0.000 0.000 0.223 129 A C 2.295 179.860 177.584 -0.031 0.000 1.189 129 A CA 2.925 54.948 52.037 -0.022 0.000 0.658 129 A CB -1.426 17.553 19.000 -0.036 0.000 0.820 129 A HN 0.673 nan 8.150 nan 0.000 0.464 130 A N -0.668 122.123 122.820 -0.048 0.000 1.935 130 A HA 0.154 4.474 4.320 0.000 0.000 0.214 130 A C 2.034 179.610 177.584 -0.013 0.000 1.178 130 A CA 1.003 53.008 52.037 -0.053 0.000 0.640 130 A CB -0.473 18.466 19.000 -0.102 0.000 0.825 130 A HN 0.496 nan 8.150 nan 0.000 0.447 131 I N -0.767 119.807 120.570 0.008 0.000 2.264 131 I HA -0.288 3.882 4.170 0.000 0.000 0.248 131 I C 2.742 178.864 176.117 0.008 0.000 1.111 131 I CA 1.462 62.776 61.300 0.023 0.000 1.382 131 I CB -0.299 37.724 38.000 0.038 0.000 1.060 131 I HN 0.274 nan 8.210 nan 0.000 0.418 132 R N 0.470 120.970 120.500 -0.000 0.000 2.090 132 R HA 0.127 4.467 4.340 0.000 0.000 0.219 132 R C 2.519 178.819 176.300 0.000 0.000 1.100 132 R CA 0.941 57.039 56.100 -0.003 0.000 0.991 132 R CB -0.372 29.924 30.300 -0.007 0.000 0.893 132 R HN 0.267 nan 8.270 nan 0.000 0.443 133 A N 0.780 123.598 122.820 -0.003 0.000 2.054 133 A HA -0.218 4.102 4.320 0.000 0.000 0.223 133 A C 1.923 179.512 177.584 0.008 0.000 1.169 133 A CA 2.320 54.357 52.037 0.000 0.000 0.655 133 A CB -0.675 18.320 19.000 -0.009 0.000 0.812 133 A HN 0.525 nan 8.150 nan 0.000 0.462 134 T N -4.919 109.641 114.554 0.009 0.000 3.040 134 T HA 0.459 4.809 4.350 0.000 0.000 0.266 134 T C 0.835 175.546 174.700 0.017 0.000 1.005 134 T CA 0.866 62.976 62.100 0.017 0.000 0.906 134 T CB -0.051 68.831 68.868 0.024 0.000 1.082 134 T HN 1.944 nan 8.240 nan 0.000 0.531 135 G N 1.590 110.397 108.800 0.011 0.000 3.341 135 G HA2 0.260 4.220 3.960 0.000 0.000 0.374 135 G HA3 0.260 4.220 3.960 0.000 0.000 0.374 135 G C 0.225 175.131 174.900 0.010 0.000 0.885 135 G CA -0.406 44.699 45.100 0.009 0.000 0.740 135 G HN 0.970 nan 8.290 nan 0.000 0.390 136 A N 1.931 124.753 122.820 0.003 0.000 2.311 136 A HA 0.850 5.170 4.320 0.000 0.000 0.272 136 A C 1.345 178.926 177.584 -0.005 0.000 1.438 136 A CA 1.718 53.757 52.037 0.003 0.000 0.819 136 A CB 0.517 19.512 19.000 -0.007 0.000 1.336 136 A HN 2.512 nan 8.150 nan 0.000 0.528 137 Q N -4.472 115.318 119.800 -0.015 0.000 2.131 137 Q HA 0.264 4.604 4.340 0.000 0.000 0.142 137 Q C -0.499 175.471 176.000 -0.050 0.000 0.773 137 Q CA 1.510 57.292 55.803 -0.036 0.000 0.580 137 Q CB -0.776 27.950 28.738 -0.019 0.000 0.979 137 Q HN 2.439 nan 8.270 nan 0.000 0.369 138 A N 0.161 122.968 122.820 -0.022 0.000 1.331 138 A HA 0.481 4.801 4.320 0.000 0.000 0.223 138 A C -1.229 176.359 177.584 0.008 0.000 1.297 138 A CA 0.082 52.107 52.037 -0.019 0.000 1.172 138 A CB -0.125 18.858 19.000 -0.028 0.000 0.760 138 A HN 0.745 nan 8.150 nan 0.000 0.547 139 V N 3.750 123.669 119.914 0.008 0.000 2.775 139 V HA 0.601 4.721 4.120 0.000 0.000 0.299 139 V C -0.005 176.077 176.094 -0.019 0.000 1.062 139 V CA -0.047 62.279 62.300 0.042 0.000 1.063 139 V CB 1.253 33.143 31.823 0.110 0.000 0.994 139 V HN 0.920 nan 8.190 nan 0.000 0.483 140 H N 7.580 126.602 119.070 -0.081 0.000 2.538 140 H HA 0.573 5.129 4.556 0.000 0.000 0.353 140 H C -2.384 172.831 175.328 -0.189 0.000 1.109 140 H CA -2.142 53.804 56.048 -0.170 0.000 1.192 140 H CB 2.720 32.413 29.762 -0.114 0.000 1.555 140 H HN 0.466 nan 8.280 nan 0.000 0.518 141 P HA 0.134 nan 4.420 nan 0.000 0.264 141 P C 0.877 178.218 177.300 0.068 0.000 1.259 141 P CA 1.152 64.254 63.100 0.003 0.000 0.841 141 P CB 1.219 32.798 31.700 -0.202 0.000 1.232 142 G N 1.042 110.000 108.800 0.262 0.000 3.181 142 G HA2 -0.281 3.679 3.960 0.000 0.000 0.322 142 G HA3 -0.281 3.679 3.960 0.000 0.000 0.322 142 G C -0.157 174.731 174.900 -0.019 0.000 1.246 142 G CA 1.005 45.979 45.100 -0.211 0.000 0.989 142 G HN 0.552 nan 8.290 nan 0.000 0.607 143 Y N -4.083 116.182 120.300 -0.058 0.000 2.851 143 Y HA 0.495 5.045 4.550 0.000 0.000 0.359 143 Y C 1.171 176.995 175.900 -0.126 0.000 1.231 143 Y CA -0.118 57.959 58.100 -0.039 0.000 1.106 143 Y CB 0.475 38.919 38.460 -0.027 0.000 1.409 143 Y HN 2.273 nan 8.280 nan 0.000 0.454 144 G N -0.263 108.714 108.800 0.294 0.000 2.219 144 G HA2 -0.337 3.623 3.960 0.000 0.000 0.271 144 G HA3 -0.337 3.623 3.960 0.000 0.000 0.271 144 G C 0.080 175.108 174.900 0.214 0.000 0.991 144 G CA 1.578 46.780 45.100 0.170 0.000 0.685 144 G HN 0.773 nan 8.290 nan 0.000 0.531 145 F N -2.159 117.833 119.950 0.070 0.000 2.053 145 F HA 0.417 4.944 4.527 0.000 0.000 0.213 145 F C 1.577 177.373 175.800 -0.007 0.000 1.216 145 F CA -0.475 57.529 58.000 0.007 0.000 1.287 145 F CB 0.070 39.035 39.000 -0.059 0.000 1.781 145 F HN -0.045 nan 8.300 nan 0.000 0.297 146 L N 0.742 122.057 121.223 0.153 0.000 2.769 146 L HA 0.132 4.472 4.340 0.000 0.000 0.240 146 L C 1.882 178.861 176.870 0.182 0.000 1.163 146 L CA 0.281 55.127 54.840 0.010 0.000 0.962 146 L CB -0.339 41.445 42.059 -0.459 0.000 1.258 146 L HN 0.164 nan 8.230 nan 0.000 0.513 147 S N -0.893 114.930 115.700 0.205 0.000 2.440 147 S HA -0.102 4.368 4.470 0.000 0.000 0.238 147 S C 0.787 175.641 174.600 0.423 0.000 1.010 147 S CA 0.926 59.303 58.200 0.294 0.000 0.972 147 S CB -0.240 63.096 63.200 0.227 0.000 0.774 147 S HN 0.559 nan 8.310 nan 0.000 0.501 148 E N 1.173 121.545 120.200 0.287 0.000 3.909 148 E HA 0.290 4.640 4.350 0.000 0.000 0.236 148 E C -1.214 175.478 176.600 0.155 0.000 1.222 148 E CA -0.238 56.284 56.400 0.202 0.000 1.205 148 E CB 0.425 30.219 29.700 0.157 0.000 1.249 148 E HN 0.282 nan 8.360 nan 0.000 0.411 149 N N 0.985 119.793 118.700 0.180 0.000 2.607 149 N HA 0.090 4.830 4.740 0.000 0.000 0.271 149 N C 0.330 175.928 175.510 0.146 0.000 1.142 149 N CA -0.027 53.109 53.050 0.143 0.000 0.810 149 N CB 1.367 39.940 38.487 0.143 0.000 1.306 149 N HN -0.032 nan 8.380 nan 0.000 0.536 150 S N 2.576 118.312 115.700 0.061 0.000 2.393 150 S HA -0.238 4.232 4.470 0.000 0.000 0.234 150 S C 1.645 176.271 174.600 0.044 0.000 1.064 150 S CA 1.409 59.615 58.200 0.011 0.000 1.088 150 S CB -0.016 63.176 63.200 -0.013 0.000 0.939 150 S HN 0.624 nan 8.310 nan 0.000 0.448 151 K N -0.102 120.342 120.400 0.074 0.000 2.049 151 K HA -0.232 4.088 4.320 0.000 0.000 0.219 151 K C 1.871 178.543 176.600 0.120 0.000 1.056 151 K CA 2.108 58.444 56.287 0.081 0.000 0.946 151 K CB -0.509 32.046 32.500 0.092 0.000 0.723 151 K HN 0.442 nan 8.250 nan 0.000 0.453 152 F N 1.178 121.154 119.950 0.044 0.000 2.171 152 F HA -0.178 4.349 4.527 0.000 0.000 0.300 152 F C 2.191 178.047 175.800 0.093 0.000 1.090 152 F CA 1.310 59.360 58.000 0.083 0.000 1.293 152 F CB -0.182 38.899 39.000 0.135 0.000 1.013 152 F HN 0.021 nan 8.300 nan 0.000 0.486 153 A N -0.360 122.514 122.820 0.091 0.000 1.978 153 A HA -0.235 4.085 4.320 0.000 0.000 0.220 153 A C 2.007 179.476 177.584 -0.191 0.000 1.170 153 A CA 2.031 53.972 52.037 -0.160 0.000 0.636 153 A CB -0.717 18.089 19.000 -0.323 0.000 0.810 153 A HN 0.491 nan 8.150 nan 0.000 0.448 154 E N -0.398 119.725 120.200 -0.128 0.000 2.102 154 E HA 0.202 4.552 4.350 0.000 0.000 0.190 154 E C 2.016 178.544 176.600 -0.119 0.000 0.971 154 E CA 1.057 57.390 56.400 -0.112 0.000 0.821 154 E CB -0.445 29.211 29.700 -0.073 0.000 0.777 154 E HN 0.401 nan 8.360 nan 0.000 0.460 155 A N 0.680 123.424 122.820 -0.127 0.000 2.024 155 A HA -0.155 4.165 4.320 0.000 0.000 0.220 155 A C 2.155 179.631 177.584 -0.181 0.000 1.164 155 A CA 1.233 53.193 52.037 -0.128 0.000 0.643 155 A CB -0.651 18.286 19.000 -0.106 0.000 0.806 155 A HN 0.334 nan 8.150 nan 0.000 0.451 156 L N -1.338 119.726 121.223 -0.265 0.000 2.072 156 L HA -0.131 4.209 4.340 0.000 0.000 0.205 156 L C 2.621 179.411 176.870 -0.134 0.000 1.079 156 L CA 1.652 56.347 54.840 -0.241 0.000 0.752 156 L CB -0.410 41.483 42.059 -0.276 0.000 0.906 156 L HN 0.586 nan 8.230 nan 0.000 0.436 157 E N 0.715 120.844 120.200 -0.118 0.000 2.204 157 E HA -0.166 4.184 4.350 0.000 0.000 0.194 157 E C 1.842 178.399 176.600 -0.073 0.000 0.989 157 E CA 0.799 57.148 56.400 -0.086 0.000 0.824 157 E CB 0.076 29.724 29.700 -0.088 0.000 0.756 157 E HN 0.418 nan 8.360 nan 0.000 0.477 158 A N 0.528 123.301 122.820 -0.078 0.000 2.258 158 A HA -0.064 4.256 4.320 0.000 0.000 0.206 158 A C 1.001 178.551 177.584 -0.057 0.000 1.222 158 A CA 0.685 52.685 52.037 -0.061 0.000 0.822 158 A CB -0.066 18.899 19.000 -0.059 0.000 0.804 158 A HN 0.245 nan 8.150 nan 0.000 0.483 159 E N -3.180 116.982 120.200 -0.062 0.000 2.652 159 E HA 0.172 4.522 4.350 0.000 0.000 0.197 159 E C 1.112 177.683 176.600 -0.049 0.000 0.936 159 E CA 0.785 57.153 56.400 -0.054 0.000 1.638 159 E CB -0.056 29.607 29.700 -0.062 0.000 1.884 159 E HN 0.903 nan 8.360 nan 0.000 1.005 160 G N 1.640 110.407 108.800 -0.056 0.000 2.179 160 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 160 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 160 G C 0.360 175.229 174.900 -0.052 0.000 0.990 160 G CA 0.196 45.266 45.100 -0.050 0.000 0.646 160 G HN 0.092 nan 8.290 nan 0.000 0.517 161 V N 2.853 122.733 119.914 -0.057 0.000 2.390 161 V HA 0.229 4.349 4.120 0.000 0.000 0.260 161 V C 1.462 177.536 176.094 -0.033 0.000 1.043 161 V CA -0.099 62.171 62.300 -0.051 0.000 1.047 161 V CB 0.261 32.045 31.823 -0.066 0.000 1.066 161 V HN 0.353 nan 8.190 nan 0.000 0.481 162 I N 6.095 126.647 120.570 -0.029 0.000 2.933 162 I HA -0.063 4.107 4.170 0.000 0.000 0.301 162 I C 0.714 176.865 176.117 0.057 0.000 1.163 162 I CA 0.156 61.454 61.300 -0.003 0.000 1.629 162 I CB -0.529 37.449 38.000 -0.038 0.000 1.530 162 I HN 0.569 nan 8.210 nan 0.000 0.755 163 F N 7.890 127.784 119.950 -0.094 0.000 2.495 163 F HA 0.020 4.547 4.527 0.000 0.000 0.339 163 F C 0.624 176.370 175.800 -0.091 0.000 1.226 163 F CA -0.047 57.913 58.000 -0.067 0.000 0.998 163 F CB 0.021 38.980 39.000 -0.068 0.000 1.180 163 F HN 0.184 nan 8.300 nan 0.000 0.611 164 V N 8.171 128.050 119.914 -0.059 0.000 2.452 164 V HA 0.456 4.576 4.120 0.000 0.000 0.286 164 V C 0.497 176.533 176.094 -0.097 0.000 0.995 164 V CA 1.302 63.551 62.300 -0.086 0.000 1.116 164 V CB -0.408 31.314 31.823 -0.169 0.000 0.954 164 V HN 1.126 nan 8.190 nan 0.000 0.473 165 G N 7.292 116.161 108.800 0.115 0.000 2.530 165 G HA2 0.197 4.157 3.960 0.000 0.000 0.081 165 G HA3 0.197 4.157 3.960 0.000 0.000 0.081 165 G C -3.471 171.460 174.900 0.051 0.000 1.062 165 G CA 0.011 45.208 45.100 0.162 0.000 1.108 165 G HN 0.601 nan 8.290 nan 0.000 0.466 166 P HA 0.470 nan 4.420 nan 0.000 0.292 166 P C -2.764 174.312 177.300 -0.373 0.000 1.308 166 P CA -1.855 60.976 63.100 -0.449 0.000 0.933 166 P CB 1.747 32.971 31.700 -0.792 0.000 1.217 167 P HA 0.023 nan 4.420 nan 0.000 0.271 167 P C 0.784 177.914 177.300 -0.283 0.000 1.220 167 P CA -0.171 62.761 63.100 -0.280 0.000 0.768 167 P CB 0.761 32.342 31.700 -0.197 0.000 0.848 168 K N 2.672 122.890 120.400 -0.304 0.000 2.374 168 K HA -0.170 4.150 4.320 0.000 0.000 0.202 168 K C 1.460 177.971 176.600 -0.149 0.000 1.044 168 K CA 2.008 58.148 56.287 -0.244 0.000 0.933 168 K CB -1.488 30.884 32.500 -0.215 0.000 0.745 168 K HN 0.521 nan 8.250 nan 0.000 0.474 169 G N 1.370 110.090 108.800 -0.132 0.000 2.499 169 G HA2 -0.058 3.902 3.960 0.000 0.000 0.213 169 G HA3 -0.058 3.902 3.960 0.000 0.000 0.213 169 G C 1.791 176.651 174.900 -0.067 0.000 1.230 169 G CA 1.135 46.185 45.100 -0.083 0.000 0.813 169 G HN 0.437 nan 8.290 nan 0.000 0.542 170 A N 0.528 123.298 122.820 -0.083 0.000 2.042 170 A HA -0.066 4.254 4.320 0.000 0.000 0.222 170 A C 2.376 179.942 177.584 -0.030 0.000 1.167 170 A CA 1.457 53.465 52.037 -0.047 0.000 0.649 170 A CB -0.426 18.521 19.000 -0.089 0.000 0.809 170 A HN 0.428 nan 8.150 nan 0.000 0.457 171 I N -0.829 119.693 120.570 -0.080 0.000 2.202 171 I HA -0.247 3.923 4.170 0.000 0.000 0.242 171 I C 2.370 178.491 176.117 0.006 0.000 1.091 171 I CA 1.746 63.023 61.300 -0.039 0.000 1.368 171 I CB -0.409 37.541 38.000 -0.084 0.000 1.058 171 I HN 0.395 nan 8.210 nan 0.000 0.410 172 E N 0.886 121.080 120.200 -0.009 0.000 2.274 172 E HA -0.088 4.262 4.350 0.000 0.000 0.194 172 E C 2.176 178.791 176.600 0.026 0.000 0.996 172 E CA 0.816 57.222 56.400 0.010 0.000 0.840 172 E CB -0.078 29.620 29.700 -0.003 0.000 0.772 172 E HN 0.484 nan 8.360 nan 0.000 0.491 173 A N 1.768 124.604 122.820 0.027 0.000 1.829 173 A HA -0.181 4.139 4.320 0.000 0.000 0.216 173 A C 1.901 179.529 177.584 0.073 0.000 1.207 173 A CA 1.327 53.391 52.037 0.045 0.000 0.622 173 A CB -0.285 18.744 19.000 0.047 0.000 0.846 173 A HN 0.125 nan 8.150 nan 0.000 0.447 174 M N 0.608 120.268 119.600 0.101 0.000 2.691 174 M HA 0.076 4.556 4.480 0.000 0.000 0.227 174 M C 1.767 178.133 176.300 0.109 0.000 1.120 174 M CA 0.475 55.856 55.300 0.135 0.000 1.034 174 M CB -1.852 30.857 32.600 0.182 0.000 1.675 174 M HN 0.487 nan 8.290 nan 0.000 0.514 175 G N 0.349 109.198 108.800 0.081 0.000 2.430 175 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 175 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 175 G C 0.140 175.077 174.900 0.063 0.000 1.146 175 G CA 0.081 45.222 45.100 0.068 0.000 0.793 175 G HN 0.476 nan 8.290 nan 0.000 0.537 176 D N -0.971 119.466 120.400 0.062 0.000 2.193 176 D HA 0.344 4.984 4.640 0.000 0.000 0.244 176 D C 1.375 177.718 176.300 0.071 0.000 1.064 176 D CA -0.570 53.464 54.000 0.057 0.000 0.845 176 D CB 1.396 42.223 40.800 0.045 0.000 1.148 176 D HN -0.029 nan 8.370 nan 0.000 0.464 177 K N 2.532 122.972 120.400 0.067 0.000 1.987 177 K HA -0.174 4.146 4.320 0.000 0.000 0.216 177 K C 1.726 178.375 176.600 0.082 0.000 1.051 177 K CA 1.485 57.820 56.287 0.080 0.000 0.942 177 K CB -0.292 32.245 32.500 0.062 0.000 0.722 177 K HN 0.471 nan 8.250 nan 0.000 0.444 178 I N 1.555 122.160 120.570 0.058 0.000 2.074 178 I HA -0.366 3.804 4.170 0.000 0.000 0.238 178 I C 2.448 178.594 176.117 0.049 0.000 1.037 178 I CA 1.903 63.231 61.300 0.047 0.000 1.301 178 I CB -1.252 36.768 38.000 0.033 0.000 1.016 178 I HN 0.228 nan 8.210 nan 0.000 0.400 179 T N 0.197 114.780 114.554 0.047 0.000 2.624 179 T HA -0.235 4.115 4.350 0.000 0.000 0.268 179 T C 2.081 176.813 174.700 0.054 0.000 1.041 179 T CA 2.141 64.267 62.100 0.043 0.000 1.159 179 T CB -0.673 68.221 68.868 0.043 0.000 0.863 179 T HN 0.342 nan 8.240 nan 0.000 0.434 180 S N 1.358 117.111 115.700 0.088 0.000 2.374 180 S HA -0.152 4.318 4.470 0.000 0.000 0.227 180 S C 2.130 176.783 174.600 0.089 0.000 1.037 180 S CA 0.988 59.265 58.200 0.128 0.000 1.024 180 S CB -0.267 63.069 63.200 0.226 0.000 0.861 180 S HN 0.391 nan 8.310 nan 0.000 0.456 181 K N 1.565 122.024 120.400 0.099 0.000 2.015 181 K HA -0.121 4.199 4.320 0.000 0.000 0.216 181 K C 2.121 178.715 176.600 -0.011 0.000 1.052 181 K CA 1.432 57.756 56.287 0.062 0.000 0.937 181 K CB -0.612 31.925 32.500 0.061 0.000 0.719 181 K HN 0.339 nan 8.250 nan 0.000 0.446 182 K N 0.743 121.142 120.400 -0.001 0.000 1.985 182 K HA -0.047 4.273 4.320 0.000 0.000 0.210 182 K C 2.215 178.792 176.600 -0.039 0.000 1.047 182 K CA 1.282 57.559 56.287 -0.017 0.000 0.932 182 K CB -0.238 32.260 32.500 -0.003 0.000 0.716 182 K HN 0.056 nan 8.250 nan 0.000 0.439 183 I N 0.723 121.277 120.570 -0.027 0.000 2.597 183 I HA -0.298 3.872 4.170 0.000 0.000 0.262 183 I C 2.071 178.135 176.117 -0.087 0.000 1.194 183 I CA 1.065 62.345 61.300 -0.034 0.000 1.437 183 I CB -0.293 37.708 38.000 0.001 0.000 1.096 183 I HN 0.249 nan 8.210 nan 0.000 0.451 184 A N -0.214 122.507 122.820 -0.166 0.000 2.014 184 A HA -0.018 4.302 4.320 0.000 0.000 0.210 184 A C 2.163 179.637 177.584 -0.184 0.000 1.188 184 A CA 0.077 51.944 52.037 -0.282 0.000 0.731 184 A CB -0.111 18.493 19.000 -0.660 0.000 0.858 184 A HN 0.328 nan 8.150 nan 0.000 0.464 185 Q N 0.579 120.301 119.800 -0.129 0.000 1.900 185 Q HA -0.268 4.072 4.340 0.000 0.000 0.219 185 Q C 1.951 177.913 176.000 -0.063 0.000 1.012 185 Q CA 1.776 57.530 55.803 -0.082 0.000 0.876 185 Q CB -0.473 28.234 28.738 -0.052 0.000 0.952 185 Q HN 0.792 nan 8.270 nan 0.000 0.419 186 E N 1.052 121.225 120.200 -0.046 0.000 2.209 186 E HA -0.170 4.180 4.350 0.000 0.000 0.196 186 E C 1.536 178.116 176.600 -0.032 0.000 0.993 186 E CA 1.478 57.859 56.400 -0.031 0.000 0.819 186 E CB -0.391 29.296 29.700 -0.022 0.000 0.745 186 E HN 0.369 nan 8.360 nan 0.000 0.477 187 A N 2.020 124.813 122.820 -0.046 0.000 2.248 187 A HA -0.125 4.195 4.320 0.000 0.000 0.210 187 A C 0.692 178.252 177.584 -0.039 0.000 1.174 187 A CA 0.818 52.831 52.037 -0.039 0.000 0.750 187 A CB -1.239 17.727 19.000 -0.058 0.000 0.780 187 A HN 0.566 nan 8.150 nan 0.000 0.478 188 N N -2.828 115.845 118.700 -0.045 0.000 2.721 188 N HA -0.140 4.600 4.740 0.000 0.000 0.249 188 N C -0.720 174.761 175.510 -0.048 0.000 1.072 188 N CA 0.823 53.849 53.050 -0.040 0.000 0.710 188 N CB -2.524 35.951 38.487 -0.020 0.000 0.993 188 N HN 0.185 nan 8.380 nan 0.000 0.547 189 V N 0.259 120.120 119.914 -0.088 0.000 2.406 189 V HA 0.375 4.495 4.120 0.000 0.000 0.272 189 V C 1.064 177.086 176.094 -0.120 0.000 1.043 189 V CA -0.270 61.963 62.300 -0.112 0.000 0.915 189 V CB 1.198 32.877 31.823 -0.239 0.000 0.988 189 V HN 0.581 nan 8.190 nan 0.000 0.466 190 S N 4.863 120.507 115.700 -0.094 0.000 2.542 190 S HA 0.131 4.601 4.470 0.000 0.000 0.287 190 S C 0.113 174.711 174.600 -0.003 0.000 1.315 190 S CA 0.464 58.595 58.200 -0.116 0.000 1.037 190 S CB 0.173 63.170 63.200 -0.337 0.000 0.822 190 S HN 0.950 nan 8.310 nan 0.000 0.513 191 T N 2.499 117.122 114.554 0.115 0.000 2.957 191 T HA 0.215 4.566 4.350 0.000 0.000 0.336 191 T C -1.056 173.725 174.700 0.135 0.000 1.462 191 T CA -0.737 61.468 62.100 0.175 0.000 1.073 191 T CB 1.034 69.946 68.868 0.074 0.000 1.319 191 T HN 0.539 nan 8.240 nan 0.000 0.485 192 V N 3.874 123.761 119.914 -0.046 0.000 2.493 192 V HA 0.124 4.244 4.120 0.000 0.000 0.292 192 V C -1.700 174.282 176.094 -0.186 0.000 1.016 192 V CA -0.727 61.337 62.300 -0.393 0.000 1.097 192 V CB -0.321 31.287 31.823 -0.358 0.000 0.947 192 V HN 0.710 nan 8.190 nan 0.000 0.479 193 P HA 0.304 nan 4.420 nan 0.000 0.267 193 P C 0.272 177.524 177.300 -0.080 0.000 1.195 193 P CA 0.553 63.599 63.100 -0.090 0.000 0.773 193 P CB 0.485 32.137 31.700 -0.079 0.000 0.837 265 T N 1.489 116.081 114.554 0.064 0.000 2.443 265 T HA -0.112 4.238 4.350 0.000 0.000 0.248 265 T C 0.469 175.192 174.700 0.039 0.000 1.247 265 T CA 1.355 63.489 62.100 0.055 0.000 1.261 265 T CB -0.146 68.767 68.868 0.076 0.000 0.867 265 T HN 0.716 nan 8.240 nan 0.000 0.394 266 Q N 2.383 122.200 119.800 0.028 0.000 2.569 266 Q HA 0.278 4.618 4.340 0.000 0.000 0.226 266 Q C -2.613 173.372 176.000 -0.025 0.000 1.136 266 Q CA -2.321 53.471 55.803 -0.019 0.000 0.947 266 Q CB 0.533 29.217 28.738 -0.089 0.000 1.218 266 Q HN 0.432 nan 8.270 nan 0.000 0.547 267 P HA 0.010 nan 4.420 nan 0.000 0.261 267 P C -0.450 176.860 177.300 0.017 0.000 1.203 267 P CA 0.294 63.415 63.100 0.036 0.000 0.767 267 P CB 0.474 32.205 31.700 0.051 0.000 0.785 268 R N 2.448 122.955 120.500 0.012 0.000 2.439 268 R HA 0.268 4.608 4.340 0.000 0.000 0.310 268 R C 0.184 176.547 176.300 0.104 0.000 0.955 268 R CA -0.749 55.356 56.100 0.008 0.000 0.853 268 R CB 1.274 31.497 30.300 -0.128 0.000 1.171 268 R HN 0.571 nan 8.270 nan 0.000 0.449 269 H N 5.549 124.634 119.070 0.026 0.000 3.004 269 H HA 0.215 4.771 4.556 0.000 0.000 0.267 269 H C -0.741 174.606 175.328 0.033 0.000 1.165 269 H CA 0.124 56.195 56.048 0.038 0.000 1.450 269 H CB 0.185 29.959 29.762 0.021 0.000 1.488 269 H HN 0.540 nan 8.280 nan 0.000 0.478 270 I N 6.187 126.806 120.570 0.081 0.000 2.418 270 I HA 0.157 4.327 4.170 0.000 0.000 0.287 270 I C -0.045 176.021 176.117 -0.085 0.000 1.008 270 I CA -0.702 60.643 61.300 0.075 0.000 1.104 270 I CB 1.769 39.826 38.000 0.095 0.000 1.264 270 I HN 0.594 nan 8.210 nan 0.000 0.438 271 E N 6.464 126.610 120.200 -0.090 0.000 2.235 271 E HA 0.742 5.092 4.350 0.000 0.000 0.265 271 E C -1.336 175.091 176.600 -0.288 0.000 0.940 271 E CA -0.919 55.338 56.400 -0.239 0.000 0.819 271 E CB 2.735 32.379 29.700 -0.092 0.000 1.206 271 E HN 0.294 nan 8.360 nan 0.000 0.409 272 I N 1.414 121.740 120.570 -0.406 0.000 2.465 272 I HA 0.124 4.294 4.170 0.000 0.000 0.291 272 I C -0.728 175.267 176.117 -0.204 0.000 1.014 272 I CA -0.599 60.501 61.300 -0.333 0.000 1.093 272 I CB 1.943 39.643 38.000 -0.500 0.000 1.267 272 I HN 0.494 nan 8.210 nan 0.000 0.431 273 Q N 5.894 125.628 119.800 -0.110 0.000 2.331 273 Q HA 0.627 4.968 4.340 0.000 0.000 0.257 273 Q C -1.099 174.880 176.000 -0.035 0.000 0.957 273 Q CA -0.455 55.307 55.803 -0.067 0.000 0.923 273 Q CB 1.177 29.898 28.738 -0.028 0.000 1.212 273 Q HN 0.525 nan 8.270 nan 0.000 0.443 274 V N 2.248 122.117 119.914 -0.075 0.000 2.864 274 V HA 0.778 4.898 4.120 0.000 0.000 0.314 274 V C -1.073 174.973 176.094 -0.080 0.000 1.073 274 V CA -1.002 61.268 62.300 -0.050 0.000 0.956 274 V CB 2.006 33.782 31.823 -0.077 0.000 1.023 274 V HN 0.758 nan 8.190 nan 0.000 0.435 275 L N 2.846 124.052 121.223 -0.029 0.000 2.464 275 L HA 0.662 5.002 4.340 0.000 0.000 0.266 275 L C -0.240 176.650 176.870 0.033 0.000 0.965 275 L CA -0.358 54.486 54.840 0.005 0.000 0.833 275 L CB 1.926 43.995 42.059 0.017 0.000 1.296 275 L HN 1.084 nan 8.230 nan 0.000 0.405 276 C N 0.984 120.329 119.300 0.076 0.000 2.596 276 C HA 0.765 5.225 4.460 0.000 0.000 0.072 276 C C -0.590 174.439 174.990 0.065 0.000 2.303 276 C CA 0.158 59.222 59.018 0.077 0.000 1.565 276 C CB 0.357 28.163 27.740 0.110 0.000 2.509 276 C HN 0.980 nan 8.230 nan 0.000 0.371 277 D N -1.612 118.811 120.400 0.038 0.000 3.302 277 D HA 0.006 4.646 4.640 0.000 0.000 0.302 277 D C -0.651 175.538 176.300 -0.185 0.000 1.026 277 D CA -0.239 53.724 54.000 -0.062 0.000 0.712 277 D CB -0.414 40.387 40.800 0.002 0.000 1.610 277 D HN 0.131 nan 8.370 nan 0.000 0.502 278 S N -0.900 114.537 115.700 -0.439 0.000 2.786 278 S HA 0.017 4.487 4.470 0.000 0.000 0.223 278 S C 0.127 174.494 174.600 -0.388 0.000 0.956 278 S CA -0.068 57.902 58.200 -0.384 0.000 0.961 278 S CB -0.515 62.485 63.200 -0.335 0.000 0.784 278 S HN 0.409 nan 8.310 nan 0.000 0.519 279 H N -0.272 118.816 119.070 0.029 0.000 2.481 279 H HA 0.344 4.900 4.556 0.000 0.000 0.273 279 H C 1.620 176.965 175.328 0.027 0.000 1.145 279 H CA 0.048 56.111 56.048 0.025 0.000 0.964 279 H CB -0.256 29.521 29.762 0.025 0.000 1.722 279 H HN 0.389 nan 8.280 nan 0.000 0.573 280 G N 1.453 110.299 108.800 0.078 0.000 2.530 280 G HA2 -0.396 3.564 3.960 0.000 0.000 0.247 280 G HA3 -0.396 3.564 3.960 0.000 0.000 0.247 280 G C 0.583 175.523 174.900 0.066 0.000 1.067 280 G CA 0.781 45.920 45.100 0.065 0.000 0.650 280 G HN 0.421 nan 8.290 nan 0.000 0.531 281 N N 1.199 119.948 118.700 0.082 0.000 2.371 281 N HA 0.518 5.258 4.740 0.000 0.000 0.243 281 N C 0.438 175.983 175.510 0.059 0.000 1.287 281 N CA 1.394 54.484 53.050 0.067 0.000 0.911 281 N CB 0.896 39.428 38.487 0.075 0.000 1.142 281 N HN 1.189 nan 8.380 nan 0.000 0.451 282 G N -0.897 107.930 108.800 0.046 0.000 2.443 282 G HA2 0.478 4.438 3.960 0.000 0.000 0.303 282 G HA3 0.478 4.438 3.960 0.000 0.000 0.303 282 G C -1.394 173.522 174.900 0.028 0.000 1.613 282 G CA -0.773 44.352 45.100 0.042 0.000 0.879 282 G HN 0.635 nan 8.290 nan 0.000 0.632 283 I N -0.889 119.685 120.570 0.008 0.000 3.102 283 I HA 0.824 4.994 4.170 0.000 0.000 0.310 283 I C -0.977 175.134 176.117 -0.009 0.000 1.246 283 I CA -1.786 59.490 61.300 -0.040 0.000 0.979 283 I CB 2.359 40.275 38.000 -0.140 0.000 1.267 283 I HN 0.669 nan 8.210 nan 0.000 0.451 284 Y N 2.112 122.386 120.300 -0.044 0.000 2.419 284 Y HA 0.813 5.363 4.550 0.000 0.000 0.328 284 Y C -0.941 174.921 175.900 -0.063 0.000 1.162 284 Y CA -1.436 56.624 58.100 -0.067 0.000 1.174 284 Y CB 1.165 39.576 38.460 -0.083 0.000 1.228 284 Y HN 0.417 nan 8.280 nan 0.000 0.473 285 L N 3.344 124.613 121.223 0.078 0.000 2.839 285 L HA 0.692 5.032 4.340 0.000 0.000 0.259 285 L C 0.496 177.389 176.870 0.038 0.000 1.369 285 L CA 0.124 54.962 54.840 -0.002 0.000 0.845 285 L CB 0.379 42.418 42.059 -0.033 0.000 1.181 285 L HN 1.214 nan 8.230 nan 0.000 0.529 286 G N 0.420 109.304 108.800 0.140 0.000 2.760 286 G HA2 0.016 3.976 3.960 0.000 0.000 0.246 286 G HA3 0.016 3.976 3.960 0.000 0.000 0.246 286 G C -0.762 174.117 174.900 -0.034 0.000 1.359 286 G CA -0.204 44.922 45.100 0.044 0.000 0.861 286 G HN 0.568 nan 8.290 nan 0.000 0.541 287 E N -0.025 120.124 120.200 -0.085 0.000 2.336 287 E HA 0.747 5.097 4.350 0.000 0.000 0.267 287 E C -0.454 176.089 176.600 -0.095 0.000 0.906 287 E CA -1.036 55.295 56.400 -0.115 0.000 0.781 287 E CB 1.462 31.080 29.700 -0.137 0.000 1.261 287 E HN 0.791 nan 8.360 nan 0.000 0.436 288 R N 1.034 121.493 120.500 -0.068 0.000 2.534 288 R HA 0.364 4.704 4.340 0.000 0.000 0.301 288 R C -0.508 175.811 176.300 0.031 0.000 0.961 288 R CA -0.710 55.370 56.100 -0.032 0.000 0.871 288 R CB 2.035 32.320 30.300 -0.026 0.000 1.170 288 R HN 0.609 nan 8.270 nan 0.000 0.446 289 E N 2.382 122.619 120.200 0.062 0.000 2.115 289 E HA 0.192 4.542 4.350 0.000 0.000 0.282 289 E C -0.709 175.935 176.600 0.074 0.000 0.987 289 E CA -0.565 55.900 56.400 0.109 0.000 0.797 289 E CB 0.804 30.584 29.700 0.133 0.000 1.086 289 E HN 0.681 nan 8.360 nan 0.000 0.397 290 C N 3.989 123.319 119.300 0.050 0.000 2.534 290 C HA 0.235 4.695 4.460 0.000 0.000 0.285 290 C C 1.534 176.425 174.990 -0.164 0.000 1.505 290 C CA -0.518 58.426 59.018 -0.123 0.000 1.715 290 C CB -1.205 26.344 27.740 -0.318 0.000 2.935 290 C HN 0.657 nan 8.230 nan 0.000 0.540 291 S N 1.785 117.471 115.700 -0.024 0.000 2.387 291 S HA -0.032 4.438 4.470 0.000 0.000 0.226 291 S C 0.762 175.353 174.600 -0.016 0.000 1.026 291 S CA 0.909 59.113 58.200 0.006 0.000 0.972 291 S CB -0.198 63.015 63.200 0.021 0.000 0.814 291 S HN 0.703 nan 8.310 nan 0.000 0.477 292 I N 3.321 123.856 120.570 -0.059 0.000 2.352 292 I HA 0.162 4.332 4.170 0.000 0.000 0.303 292 I C 0.194 176.309 176.117 -0.004 0.000 1.194 292 I CA -0.030 61.242 61.300 -0.047 0.000 1.518 292 I CB -1.113 36.759 38.000 -0.213 0.000 1.489 292 I HN 0.232 nan 8.210 nan 0.000 0.702 293 Q N 4.497 124.315 119.800 0.030 0.000 2.372 293 Q HA 0.646 4.986 4.340 0.000 0.000 0.273 293 Q C -0.653 175.364 176.000 0.029 0.000 1.078 293 Q CA -1.109 54.701 55.803 0.012 0.000 0.806 293 Q CB 2.431 31.138 28.738 -0.051 0.000 1.332 293 Q HN 0.588 nan 8.270 nan 0.000 0.435 294 R N 1.814 122.313 120.500 -0.001 0.000 2.393 294 R HA 0.421 4.761 4.340 0.000 0.000 0.310 294 R C -0.364 175.877 176.300 -0.099 0.000 0.968 294 R CA -0.336 55.718 56.100 -0.076 0.000 0.867 294 R CB 0.895 31.067 30.300 -0.213 0.000 1.124 294 R HN 0.902 nan 8.270 nan 0.000 0.450 295 R N 3.007 123.451 120.500 -0.093 0.000 3.627 295 R HA -0.317 4.023 4.340 0.000 0.000 0.281 295 R C -0.374 175.894 176.300 -0.053 0.000 1.140 295 R CA 0.981 57.033 56.100 -0.080 0.000 0.761 295 R CB -1.345 28.887 30.300 -0.112 0.000 1.181 295 R HN 1.082 nan 8.270 nan 0.000 0.472 296 N N -1.662 117.017 118.700 -0.035 0.000 2.955 296 N HA -0.258 4.482 4.740 0.000 0.000 0.230 296 N C 0.051 175.544 175.510 -0.029 0.000 0.891 296 N CA 1.847 54.883 53.050 -0.023 0.000 1.002 296 N CB -0.484 37.995 38.487 -0.013 0.000 1.063 296 N HN 0.675 nan 8.380 nan 0.000 0.601 297 Q N 2.056 121.836 119.800 -0.032 0.000 2.295 297 Q HA 0.209 4.549 4.340 0.000 0.000 0.259 297 Q C -0.480 175.534 176.000 0.025 0.000 0.976 297 Q CA -0.212 55.587 55.803 -0.008 0.000 0.923 297 Q CB 0.644 29.360 28.738 -0.036 0.000 1.185 297 Q HN 0.060 nan 8.270 nan 0.000 0.410 298 K N 2.501 122.911 120.400 0.015 0.000 2.448 298 K HA 0.001 4.321 4.320 0.000 0.000 0.278 298 K C 0.246 176.881 176.600 0.059 0.000 1.009 298 K CA -0.215 56.065 56.287 -0.012 0.000 0.995 298 K CB 0.947 33.404 32.500 -0.071 0.000 0.917 298 K HN 0.501 nan 8.250 nan 0.000 0.481 299 V N 2.364 122.293 119.914 0.025 0.000 2.911 299 V HA 0.029 4.149 4.120 0.000 0.000 0.237 299 V C 0.116 176.167 176.094 -0.073 0.000 1.156 299 V CA 0.230 62.553 62.300 0.037 0.000 1.180 299 V CB 0.932 32.813 31.823 0.097 0.000 0.932 299 V HN 0.448 nan 8.190 nan 0.000 0.483 300 V N 1.335 121.186 119.914 -0.105 0.000 2.577 300 V HA 0.585 4.706 4.120 0.000 0.000 0.303 300 V C -1.201 174.846 176.094 -0.078 0.000 1.042 300 V CA -0.603 61.612 62.300 -0.140 0.000 0.872 300 V CB 1.861 33.518 31.823 -0.277 0.000 0.998 300 V HN 0.414 nan 8.190 nan 0.000 0.423 301 E N 2.925 123.100 120.200 -0.042 0.000 2.244 301 E HA 0.760 5.110 4.350 0.000 0.000 0.266 301 E C -0.731 175.910 176.600 0.068 0.000 0.914 301 E CA -0.788 55.611 56.400 -0.002 0.000 0.794 301 E CB 2.223 31.904 29.700 -0.031 0.000 1.210 301 E HN 0.879 nan 8.360 nan 0.000 0.414 302 E N 0.082 120.346 120.200 0.107 0.000 2.408 302 E HA 0.853 5.203 4.350 0.000 0.000 0.275 302 E C -1.536 175.082 176.600 0.030 0.000 0.935 302 E CA -1.549 54.958 56.400 0.177 0.000 0.775 302 E CB 1.926 31.875 29.700 0.415 0.000 1.277 302 E HN 0.428 nan 8.360 nan 0.000 0.455 303 A N 2.097 124.822 122.820 -0.157 0.000 2.488 303 A HA 0.623 4.943 4.320 0.000 0.000 0.295 303 A C -2.773 174.190 177.584 -1.034 0.000 1.045 303 A CA -1.362 50.422 52.037 -0.422 0.000 0.703 303 A CB 1.626 20.493 19.000 -0.221 0.000 1.271 303 A HN 0.542 nan 8.150 nan 0.000 0.400 304 P HA 0.214 nan 4.420 nan 0.000 0.323 304 P C 0.252 177.275 177.300 -0.461 0.000 1.319 304 P CA -0.167 62.514 63.100 -0.698 0.000 0.741 304 P CB 0.702 32.125 31.700 -0.462 0.000 1.545 305 S N 0.150 115.849 115.700 -0.002 0.000 2.462 305 S HA 0.336 4.806 4.470 0.000 0.000 0.294 305 S C -1.628 173.253 174.600 0.467 0.000 1.144 305 S CA -2.020 56.341 58.200 0.269 0.000 1.088 305 S CB 0.199 63.513 63.200 0.191 0.000 1.009 305 S HN 0.234 nan 8.310 nan 0.000 0.484 306 P HA 0.033 nan 4.420 nan 0.000 0.239 306 P C 0.473 177.930 177.300 0.261 0.000 1.184 306 P CA 0.419 63.699 63.100 0.299 0.000 0.760 306 P CB 0.014 31.719 31.700 0.009 0.000 0.884 307 F N 1.456 121.476 119.950 0.116 0.000 2.478 307 F HA 0.204 4.731 4.527 0.000 0.000 0.260 307 F C 0.587 176.434 175.800 0.078 0.000 0.974 307 F CA -0.362 57.684 58.000 0.078 0.000 1.075 307 F CB -0.889 38.157 39.000 0.076 0.000 1.165 307 F HN -0.336 nan 8.300 nan 0.000 0.692 308 L N 2.402 123.681 121.223 0.094 0.000 2.540 308 L HA 0.217 4.557 4.340 0.000 0.000 0.276 308 L C -0.481 176.372 176.870 -0.028 0.000 1.212 308 L CA -0.814 53.996 54.840 -0.049 0.000 0.893 308 L CB -0.751 41.362 42.059 0.091 0.000 1.138 308 L HN 0.384 nan 8.230 nan 0.000 0.491 309 D N 1.034 121.391 120.400 -0.072 0.000 2.451 309 D HA 0.183 4.823 4.640 0.000 0.000 0.259 309 D C 0.740 177.037 176.300 -0.005 0.000 1.201 309 D CA -0.507 53.474 54.000 -0.031 0.000 1.028 309 D CB 0.395 41.163 40.800 -0.053 0.000 1.095 309 D HN 0.553 nan 8.370 nan 0.000 0.539 310 E N -0.134 120.071 120.200 0.008 0.000 2.086 310 E HA -0.306 4.044 4.350 0.000 0.000 0.205 310 E C 2.003 178.614 176.600 0.017 0.000 1.027 310 E CA 2.004 58.415 56.400 0.018 0.000 0.830 310 E CB -0.863 28.850 29.700 0.022 0.000 0.751 310 E HN 0.606 nan 8.360 nan 0.000 0.456 311 A N 0.496 123.325 122.820 0.014 0.000 1.835 311 A HA -0.197 4.123 4.320 0.000 0.000 0.215 311 A C 2.483 180.084 177.584 0.028 0.000 1.199 311 A CA 2.721 54.772 52.037 0.023 0.000 0.615 311 A CB -1.275 17.737 19.000 0.020 0.000 0.838 311 A HN 0.375 nan 8.150 nan 0.000 0.444 312 T N -1.242 113.331 114.554 0.032 0.000 2.849 312 T HA -0.212 4.138 4.350 0.000 0.000 0.270 312 T C 2.021 176.713 174.700 -0.013 0.000 1.066 312 T CA 1.966 64.107 62.100 0.068 0.000 1.130 312 T CB -0.349 68.566 68.868 0.079 0.000 0.864 312 T HN 0.539 nan 8.240 nan 0.000 0.481 313 R N 0.035 120.515 120.500 -0.033 0.000 2.061 313 R HA 0.046 4.386 4.340 0.000 0.000 0.230 313 R C 2.740 178.950 176.300 -0.150 0.000 1.140 313 R CA 1.495 57.546 56.100 -0.082 0.000 0.940 313 R CB -0.192 30.092 30.300 -0.028 0.000 0.839 313 R HN 0.331 nan 8.270 nan 0.000 0.429 314 R N 0.050 120.509 120.500 -0.067 0.000 2.127 314 R HA -0.116 4.224 4.340 0.000 0.000 0.238 314 R C 2.320 178.539 176.300 -0.134 0.000 1.134 314 R CA 1.250 57.309 56.100 -0.069 0.000 0.975 314 R CB -0.420 29.915 30.300 0.058 0.000 0.865 314 R HN 0.347 nan 8.270 nan 0.000 0.447 315 A N 1.337 124.119 122.820 -0.064 0.000 1.851 315 A HA -0.224 4.096 4.320 0.000 0.000 0.216 315 A C 2.205 179.695 177.584 -0.158 0.000 1.195 315 A CA 1.705 53.751 52.037 0.016 0.000 0.622 315 A CB -0.488 18.637 19.000 0.209 0.000 0.831 315 A HN 0.191 nan 8.150 nan 0.000 0.444 316 M N -0.660 118.648 119.600 -0.487 0.000 2.117 316 M HA -0.065 4.415 4.480 0.000 0.000 0.262 316 M C 2.357 178.440 176.300 -0.361 0.000 1.065 316 M CA 1.441 56.382 55.300 -0.598 0.000 1.114 316 M CB -0.748 31.529 32.600 -0.540 0.000 1.361 316 M HN 0.498 nan 8.290 nan 0.000 0.408 317 G N 0.455 108.901 108.800 -0.591 0.000 2.459 317 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 317 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 317 G C 1.343 175.644 174.900 -0.997 0.000 1.183 317 G CA 0.972 45.343 45.100 -1.216 0.000 0.776 317 G HN 0.508 nan 8.290 nan 0.000 0.552 318 E N -0.218 119.696 120.200 -0.476 0.000 2.077 318 E HA -0.169 4.181 4.350 0.000 0.000 0.193 318 E C 2.452 179.046 176.600 -0.011 0.000 0.989 318 E CA 1.117 57.481 56.400 -0.061 0.000 0.800 318 E CB -0.160 29.559 29.700 0.033 0.000 0.746 318 E HN 0.600 nan 8.360 nan 0.000 0.452 319 Q N 0.477 120.272 119.800 -0.007 0.000 2.172 319 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 319 Q C 2.028 178.093 176.000 0.109 0.000 0.964 319 Q CA 0.991 56.841 55.803 0.079 0.000 0.855 319 Q CB -0.013 28.822 28.738 0.162 0.000 0.918 319 Q HN 0.233 nan 8.270 nan 0.000 0.444 320 A N 0.483 123.341 122.820 0.063 0.000 1.828 320 A HA -0.182 4.138 4.320 0.000 0.000 0.215 320 A C 2.162 179.773 177.584 0.044 0.000 1.203 320 A CA 1.641 53.716 52.037 0.064 0.000 0.614 320 A CB -1.431 17.462 19.000 -0.179 0.000 0.844 320 A HN 0.372 nan 8.150 nan 0.000 0.445 321 V N -0.004 119.932 119.914 0.037 0.000 2.380 321 V HA -0.222 3.898 4.120 0.000 0.000 0.251 321 V C 2.650 178.788 176.094 0.075 0.000 1.063 321 V CA 2.546 64.897 62.300 0.086 0.000 1.055 321 V CB -1.036 30.904 31.823 0.195 0.000 0.657 321 V HN 0.668 nan 8.190 nan 0.000 0.455 322 A N 0.240 123.104 122.820 0.073 0.000 1.851 322 A HA -0.222 4.098 4.320 0.000 0.000 0.216 322 A C 2.195 179.811 177.584 0.053 0.000 1.195 322 A CA 2.254 54.328 52.037 0.061 0.000 0.622 322 A CB -0.984 18.050 19.000 0.056 0.000 0.831 322 A HN 0.724 nan 8.150 nan 0.000 0.444 323 L N -0.113 121.144 121.223 0.056 0.000 2.129 323 L HA -0.155 4.185 4.340 0.000 0.000 0.212 323 L C 2.483 179.389 176.870 0.061 0.000 1.087 323 L CA 2.137 57.004 54.840 0.045 0.000 0.757 323 L CB -0.960 41.138 42.059 0.064 0.000 0.896 323 L HN 0.434 nan 8.230 nan 0.000 0.434 324 A N 0.229 123.085 122.820 0.061 0.000 1.862 324 A HA -0.332 3.988 4.320 0.000 0.000 0.214 324 A C 2.234 179.876 177.584 0.096 0.000 1.228 324 A CA 2.588 54.662 52.037 0.061 0.000 0.665 324 A CB -0.901 18.115 19.000 0.027 0.000 0.845 324 A HN 0.541 nan 8.150 nan 0.000 0.459 325 K N -0.345 120.103 120.400 0.080 0.000 2.077 325 K HA -0.230 4.090 4.320 0.000 0.000 0.213 325 K C 2.112 178.752 176.600 0.066 0.000 1.051 325 K CA 1.577 57.909 56.287 0.075 0.000 0.929 325 K CB -0.613 31.922 32.500 0.058 0.000 0.715 325 K HN 0.534 nan 8.250 nan 0.000 0.451 326 A N 0.759 123.612 122.820 0.054 0.000 2.117 326 A HA -0.193 4.127 4.320 0.000 0.000 0.224 326 A C 2.163 179.774 177.584 0.045 0.000 1.167 326 A CA 2.075 54.136 52.037 0.039 0.000 0.664 326 A CB -0.442 18.573 19.000 0.025 0.000 0.811 326 A HN 0.248 nan 8.150 nan 0.000 0.470 327 V N -2.057 117.900 119.914 0.071 0.000 3.477 327 V HA 0.472 4.592 4.120 0.000 0.000 0.297 327 V C 1.041 177.176 176.094 0.068 0.000 1.433 327 V CA 1.191 63.536 62.300 0.074 0.000 1.052 327 V CB -0.309 31.580 31.823 0.110 0.000 0.895 327 V HN 1.535 nan 8.190 nan 0.000 0.438 328 G N 0.723 109.569 108.800 0.076 0.000 2.291 328 G HA2 -0.307 3.653 3.960 0.000 0.000 0.271 328 G HA3 -0.307 3.653 3.960 0.000 0.000 0.271 328 G C -0.363 174.573 174.900 0.059 0.000 1.099 328 G CA 0.386 45.516 45.100 0.050 0.000 0.919 328 G HN 0.664 nan 8.290 nan 0.000 0.496 329 Y N 0.413 120.717 120.300 0.007 0.000 2.304 329 Y HA 0.600 5.150 4.550 0.000 0.000 0.328 329 Y C 1.103 177.001 175.900 -0.004 0.000 1.123 329 Y CA 0.530 58.636 58.100 0.009 0.000 1.218 329 Y CB 1.357 39.835 38.460 0.029 0.000 1.207 329 Y HN 0.366 nan 8.280 nan 0.000 0.495 330 A N 2.890 125.732 122.820 0.037 0.000 2.054 330 A HA 0.129 4.449 4.320 0.000 0.000 0.221 330 A C 1.619 179.326 177.584 0.205 0.000 1.587 330 A CA 0.899 52.972 52.037 0.061 0.000 0.664 330 A CB -1.004 17.948 19.000 -0.080 0.000 1.248 330 A HN 0.697 nan 8.150 nan 0.000 0.527 331 S N -0.423 115.392 115.700 0.192 0.000 2.465 331 S HA 0.395 4.865 4.470 0.000 0.000 0.215 331 S C 0.754 175.547 174.600 0.320 0.000 1.438 331 S CA 0.300 58.641 58.200 0.235 0.000 1.223 331 S CB -0.337 62.973 63.200 0.183 0.000 0.636 331 S HN 0.988 nan 8.310 nan 0.000 0.421 332 A N -0.583 122.393 122.820 0.261 0.000 2.325 332 A HA 0.741 5.061 4.320 0.000 0.000 0.333 332 A C 0.098 177.729 177.584 0.078 0.000 1.155 332 A CA -0.065 52.034 52.037 0.104 0.000 0.814 332 A CB 1.022 20.056 19.000 0.057 0.000 1.206 332 A HN 0.853 nan 8.150 nan 0.000 0.482 333 G N -0.803 107.851 108.800 -0.243 0.000 2.684 333 G HA2 0.576 4.536 3.960 0.000 0.000 0.290 333 G HA3 0.576 4.536 3.960 0.000 0.000 0.290 333 G C -1.083 173.676 174.900 -0.236 0.000 1.425 333 G CA -0.114 44.781 45.100 -0.343 0.000 0.822 333 G HN 0.882 nan 8.290 nan 0.000 0.482 334 T N -0.576 113.893 114.554 -0.142 0.000 2.841 334 T HA 0.555 4.905 4.350 0.000 0.000 0.283 334 T C -0.442 174.185 174.700 -0.122 0.000 1.000 334 T CA -0.399 61.628 62.100 -0.121 0.000 0.977 334 T CB 1.105 69.933 68.868 -0.067 0.000 0.979 334 T HN 1.341 nan 8.240 nan 0.000 0.446 335 V N 2.980 122.785 119.914 -0.181 0.000 2.334 335 V HA 0.633 4.753 4.120 0.000 0.000 0.281 335 V C -0.147 175.740 176.094 -0.345 0.000 1.016 335 V CA -0.880 61.321 62.300 -0.165 0.000 0.832 335 V CB 0.938 32.699 31.823 -0.105 0.000 0.999 335 V HN 0.894 nan 8.190 nan 0.000 0.439 336 E N 5.457 125.506 120.200 -0.251 0.000 2.229 336 E HA 0.524 4.874 4.350 0.000 0.000 0.283 336 E C -0.980 175.603 176.600 -0.029 0.000 1.030 336 E CA -0.159 56.070 56.400 -0.285 0.000 0.836 336 E CB 1.501 31.016 29.700 -0.309 0.000 1.068 336 E HN 0.737 nan 8.360 nan 0.000 0.401 337 F N 1.497 121.301 119.950 -0.243 0.000 2.557 337 F HA 0.474 5.001 4.527 0.000 0.000 0.336 337 F C 0.230 175.972 175.800 -0.096 0.000 1.058 337 F CA -1.435 56.511 58.000 -0.090 0.000 0.988 337 F CB 1.256 40.243 39.000 -0.021 0.000 1.275 337 F HN 0.254 nan 8.300 nan 0.000 0.488 338 I N 1.991 122.710 120.570 0.247 0.000 2.833 338 I HA 0.173 4.343 4.170 0.000 0.000 0.286 338 I C -0.221 176.055 176.117 0.264 0.000 1.287 338 I CA -0.177 61.240 61.300 0.195 0.000 1.046 338 I CB 0.604 38.711 38.000 0.179 0.000 1.612 338 I HN 0.105 nan 8.210 nan 0.000 0.585 339 V N 3.824 123.875 119.914 0.227 0.000 3.032 339 V HA 0.050 4.170 4.120 0.000 0.000 0.307 339 V C 0.590 176.791 176.094 0.179 0.000 1.097 339 V CA 0.267 62.702 62.300 0.226 0.000 1.191 339 V CB 0.528 32.513 31.823 0.270 0.000 0.964 339 V HN 0.786 nan 8.190 nan 0.000 0.494 340 D N 2.419 122.939 120.400 0.201 0.000 2.636 340 D HA 0.363 5.003 4.640 0.000 0.000 0.236 340 D C 1.290 177.682 176.300 0.153 0.000 1.176 340 D CA 0.174 54.270 54.000 0.159 0.000 1.081 340 D CB 0.409 41.339 40.800 0.216 0.000 1.213 340 D HN 0.467 nan 8.370 nan 0.000 0.633 341 G N -1.408 107.482 108.800 0.150 0.000 2.484 341 G HA2 -0.127 3.833 3.960 0.000 0.000 0.218 341 G HA3 -0.127 3.833 3.960 0.000 0.000 0.218 341 G C 0.757 175.847 174.900 0.316 0.000 1.130 341 G CA 0.454 45.676 45.100 0.203 0.000 0.784 341 G HN 0.340 nan 8.290 nan 0.000 0.543 342 Q N -0.131 119.811 119.800 0.237 0.000 2.189 342 Q HA 0.282 4.622 4.340 0.000 0.000 0.221 342 Q C 0.329 176.417 176.000 0.146 0.000 0.848 342 Q CA -0.208 55.694 55.803 0.164 0.000 1.007 342 Q CB 0.461 29.256 28.738 0.096 0.000 1.116 342 Q HN 0.507 nan 8.270 nan 0.000 0.481 343 K N 0.312 120.883 120.400 0.284 0.000 3.407 343 K HA -0.137 4.183 4.320 0.000 0.000 0.312 343 K C -0.115 176.573 176.600 0.146 0.000 1.302 343 K CA 0.331 56.761 56.287 0.239 0.000 0.931 343 K CB -0.995 31.526 32.500 0.035 0.000 1.257 343 K HN 0.268 nan 8.250 nan 0.000 0.454 344 N N 1.338 120.072 118.700 0.056 0.000 2.406 344 N HA 0.079 4.819 4.740 0.000 0.000 0.265 344 N C -0.333 174.927 175.510 -0.416 0.000 1.203 344 N CA 0.404 53.329 53.050 -0.209 0.000 0.945 344 N CB 0.188 38.616 38.487 -0.098 0.000 1.165 344 N HN 0.120 nan 8.380 nan 0.000 0.485 345 F N 2.704 122.328 119.950 -0.543 0.000 2.432 345 F HA 0.581 5.108 4.527 0.000 0.000 0.329 345 F C -0.512 174.660 175.800 -1.046 0.000 1.076 345 F CA -0.803 56.851 58.000 -0.577 0.000 1.018 345 F CB 0.515 39.376 39.000 -0.232 0.000 1.201 345 F HN 0.274 nan 8.300 nan 0.000 0.489 346 Y N 0.870 121.207 120.300 0.062 0.000 3.300 346 Y HA 0.651 5.202 4.550 0.000 0.000 0.297 346 Y C -1.217 174.621 175.900 -0.104 0.000 1.747 346 Y CA -0.987 57.079 58.100 -0.057 0.000 0.937 346 Y CB 1.050 39.506 38.460 -0.008 0.000 1.377 346 Y HN 0.637 nan 8.280 nan 0.000 0.662 347 F N 0.941 120.928 119.950 0.063 0.000 2.722 347 F HA 0.369 4.896 4.527 0.000 0.000 0.336 347 F C -1.225 174.653 175.800 0.131 0.000 1.216 347 F CA -0.886 57.163 58.000 0.081 0.000 1.065 347 F CB 0.914 39.921 39.000 0.011 0.000 1.325 347 F HN 0.409 nan 8.300 nan 0.000 0.524 348 L N 3.755 124.736 121.223 -0.404 0.000 2.200 348 L HA 0.331 4.671 4.340 0.000 0.000 0.200 348 L C -0.085 176.363 176.870 -0.704 0.000 1.072 348 L CA 1.212 55.840 54.840 -0.352 0.000 0.787 348 L CB 0.106 42.049 42.059 -0.193 0.000 0.957 348 L HN 0.835 nan 8.230 nan 0.000 0.459 349 E N -1.444 118.107 120.200 -1.082 0.000 2.421 349 E HA 0.201 4.551 4.350 0.000 0.000 0.278 349 E C -1.165 175.185 176.600 -0.416 0.000 1.141 349 E CA -0.756 55.178 56.400 -0.776 0.000 0.880 349 E CB 1.035 30.602 29.700 -0.221 0.000 1.381 349 E HN -0.012 nan 8.360 nan 0.000 0.436 350 M N 1.613 121.195 119.600 -0.030 0.000 2.393 350 M HA 0.470 4.950 4.480 0.000 0.000 0.316 350 M C -1.780 174.571 176.300 0.086 0.000 1.087 350 M CA -0.728 54.615 55.300 0.073 0.000 0.937 350 M CB 1.749 34.480 32.600 0.218 0.000 1.668 350 M HN 0.511 nan 8.290 nan 0.000 0.438 351 N N 3.147 121.886 118.700 0.066 0.000 2.444 351 N HA 0.240 4.980 4.740 0.000 0.000 0.262 351 N C -0.783 174.836 175.510 0.181 0.000 0.974 351 N CA -0.161 52.948 53.050 0.099 0.000 0.933 351 N CB 1.738 40.256 38.487 0.053 0.000 1.137 351 N HN 0.633 nan 8.380 nan 0.000 0.498 352 T N 0.668 115.381 114.554 0.265 0.000 3.688 352 T HA 0.429 4.779 4.350 0.000 0.000 0.307 352 T C 0.460 175.350 174.700 0.315 0.000 1.382 352 T CA -0.562 61.797 62.100 0.432 0.000 1.136 352 T CB -0.370 68.655 68.868 0.263 0.000 1.207 352 T HN 0.735 nan 8.240 nan 0.000 0.854 353 R N 0.437 121.127 120.500 0.317 0.000 3.000 353 R HA 0.393 4.733 4.340 0.000 0.000 0.280 353 R C -1.871 174.543 176.300 0.190 0.000 0.950 353 R CA -1.276 54.973 56.100 0.249 0.000 0.822 353 R CB 0.258 30.691 30.300 0.222 0.000 1.445 353 R HN 0.229 nan 8.270 nan 0.000 0.492 354 L N 2.112 123.446 121.223 0.185 0.000 2.305 354 L HA 0.336 4.676 4.340 0.000 0.000 0.281 354 L C -0.564 176.357 176.870 0.085 0.000 1.085 354 L CA -0.075 54.832 54.840 0.112 0.000 0.813 354 L CB 1.433 43.552 42.059 0.100 0.000 1.157 354 L HN 0.630 nan 8.230 nan 0.000 0.436 355 Q N 3.343 123.159 119.800 0.026 0.000 2.261 355 Q HA 0.133 4.473 4.340 0.000 0.000 0.252 355 Q C 1.155 177.173 176.000 0.030 0.000 0.915 355 Q CA -0.257 55.531 55.803 -0.025 0.000 0.915 355 Q CB 2.175 30.916 28.738 0.005 0.000 1.204 355 Q HN 0.655 nan 8.270 nan 0.000 0.421 356 V N 2.493 122.275 119.914 -0.220 0.000 2.282 356 V HA -0.274 3.846 4.120 0.000 0.000 0.249 356 V C 1.829 177.945 176.094 0.036 0.000 1.057 356 V CA 2.325 64.545 62.300 -0.134 0.000 1.032 356 V CB -0.455 31.191 31.823 -0.295 0.000 0.645 356 V HN 0.781 nan 8.190 nan 0.000 0.447 357 E N 1.203 121.392 120.200 -0.019 0.000 2.438 357 E HA -0.180 4.170 4.350 0.000 0.000 0.192 357 E C 1.660 178.243 176.600 -0.028 0.000 1.110 357 E CA 0.562 56.938 56.400 -0.041 0.000 0.893 357 E CB -0.840 28.832 29.700 -0.047 0.000 0.990 357 E HN 0.917 nan 8.360 nan 0.000 0.490 358 H N 0.491 119.546 119.070 -0.027 0.000 2.421 358 H HA 0.080 4.636 4.556 0.000 0.000 0.298 358 H C -0.984 174.333 175.328 -0.018 0.000 1.087 358 H CA 0.542 56.579 56.048 -0.018 0.000 1.330 358 H CB -1.633 28.131 29.762 0.003 0.000 1.388 358 H HN 0.118 nan 8.280 nan 0.000 0.526 359 P HA -0.180 nan 4.420 nan 0.000 0.218 359 P C 2.061 179.251 177.300 -0.183 0.000 1.150 359 P CA 1.910 64.742 63.100 -0.447 0.000 0.841 359 P CB -0.112 31.371 31.700 -0.362 0.000 0.784 360 V N -1.461 118.377 119.914 -0.127 0.000 2.295 360 V HA -0.266 3.854 4.120 0.000 0.000 0.246 360 V C 2.237 178.290 176.094 -0.068 0.000 1.049 360 V CA 2.608 64.871 62.300 -0.060 0.000 1.024 360 V CB -2.141 29.656 31.823 -0.043 0.000 0.648 360 V HN 0.153 nan 8.190 nan 0.000 0.447 361 T N 0.173 114.690 114.554 -0.061 0.000 2.652 361 T HA -0.233 4.117 4.350 0.000 0.000 0.267 361 T C 1.850 176.510 174.700 -0.066 0.000 1.039 361 T CA 2.041 64.108 62.100 -0.054 0.000 1.153 361 T CB -0.385 68.478 68.868 -0.010 0.000 0.863 361 T HN 0.636 nan 8.240 nan 0.000 0.428 362 E N 0.741 120.909 120.200 -0.054 0.000 2.171 362 E HA -0.077 4.273 4.350 0.000 0.000 0.197 362 E C 1.809 178.317 176.600 -0.154 0.000 0.997 362 E CA 0.783 57.139 56.400 -0.074 0.000 0.810 362 E CB -0.289 29.388 29.700 -0.039 0.000 0.738 362 E HN 0.444 nan 8.360 nan 0.000 0.467 363 L N 0.901 122.026 121.223 -0.163 0.000 2.627 363 L HA 0.064 4.404 4.340 0.000 0.000 0.233 363 L C 1.879 178.498 176.870 -0.419 0.000 1.144 363 L CA 0.242 54.908 54.840 -0.291 0.000 0.892 363 L CB -0.120 41.873 42.059 -0.110 0.000 1.039 363 L HN 0.276 nan 8.230 nan 0.000 0.442 364 I N -6.317 114.109 120.570 -0.239 0.000 4.774 364 I HA 0.065 4.235 4.170 0.000 0.000 0.330 364 I C 1.990 178.018 176.117 -0.147 0.000 1.287 364 I CA 0.444 61.650 61.300 -0.157 0.000 1.311 364 I CB 0.007 37.985 38.000 -0.037 0.000 1.315 364 I HN -0.033 nan 8.210 nan 0.000 0.459 365 T N -1.004 113.466 114.554 -0.141 0.000 2.894 365 T HA 0.304 4.655 4.350 0.000 0.000 0.258 365 T C 1.646 176.272 174.700 -0.123 0.000 1.043 365 T CA 0.938 62.973 62.100 -0.109 0.000 1.141 365 T CB -0.349 68.470 68.868 -0.082 0.000 0.873 365 T HN 0.883 nan 8.240 nan 0.000 0.449 366 G N 0.664 109.372 108.800 -0.154 0.000 2.255 366 G HA2 -0.021 3.939 3.960 0.000 0.000 0.239 366 G HA3 -0.021 3.939 3.960 0.000 0.000 0.239 366 G C -0.252 174.591 174.900 -0.095 0.000 1.083 366 G CA -0.215 44.797 45.100 -0.147 0.000 0.826 366 G HN 0.834 nan 8.290 nan 0.000 0.493 367 V N -0.516 119.352 119.914 -0.078 0.000 3.007 367 V HA 0.715 4.835 4.120 0.000 0.000 0.311 367 V C -0.849 175.237 176.094 -0.014 0.000 1.120 367 V CA -0.807 61.468 62.300 -0.041 0.000 0.980 367 V CB 2.232 34.036 31.823 -0.032 0.000 1.033 367 V HN 0.329 nan 8.190 nan 0.000 0.429 368 D N 2.346 122.748 120.400 0.004 0.000 2.472 368 D HA 0.365 5.005 4.640 0.000 0.000 0.234 368 D C 0.988 177.312 176.300 0.040 0.000 1.088 368 D CA -0.298 53.721 54.000 0.032 0.000 0.882 368 D CB 1.156 41.969 40.800 0.021 0.000 1.037 368 D HN 0.450 nan 8.370 nan 0.000 0.520 369 L N 2.488 123.744 121.223 0.056 0.000 2.129 369 L HA -0.208 4.132 4.340 0.000 0.000 0.212 369 L C 2.110 178.988 176.870 0.013 0.000 1.087 369 L CA 0.889 55.742 54.840 0.022 0.000 0.757 369 L CB -0.230 41.822 42.059 -0.013 0.000 0.896 369 L HN 0.345 nan 8.230 nan 0.000 0.434 370 V N -0.571 119.348 119.914 0.010 0.000 2.548 370 V HA -0.225 3.895 4.120 0.000 0.000 0.249 370 V C 2.353 178.485 176.094 0.063 0.000 1.055 370 V CA 1.681 64.003 62.300 0.037 0.000 1.065 370 V CB -0.484 31.343 31.823 0.006 0.000 0.681 370 V HN 0.507 nan 8.190 nan 0.000 0.462 371 E N 0.622 120.851 120.200 0.049 0.000 1.998 371 E HA -0.266 4.084 4.350 0.000 0.000 0.196 371 E C 2.290 178.928 176.600 0.063 0.000 1.003 371 E CA 1.583 58.014 56.400 0.052 0.000 0.829 371 E CB -0.216 29.503 29.700 0.032 0.000 0.777 371 E HN 0.566 nan 8.360 nan 0.000 0.460 372 Q N 0.089 119.920 119.800 0.051 0.000 2.242 372 Q HA -0.247 4.093 4.340 0.000 0.000 0.211 372 Q C 2.233 178.276 176.000 0.071 0.000 0.992 372 Q CA 1.698 57.535 55.803 0.057 0.000 0.889 372 Q CB -0.565 28.198 28.738 0.041 0.000 0.913 372 Q HN 0.508 nan 8.270 nan 0.000 0.422 373 M N 0.287 119.929 119.600 0.070 0.000 2.080 373 M HA -0.169 4.311 4.480 0.000 0.000 0.260 373 M C 2.320 178.662 176.300 0.070 0.000 1.068 373 M CA 1.619 56.963 55.300 0.073 0.000 1.109 373 M CB -0.322 32.328 32.600 0.084 0.000 1.342 373 M HN 0.317 nan 8.290 nan 0.000 0.405 374 I N -2.245 118.381 120.570 0.092 0.000 2.277 374 I HA -0.190 3.980 4.170 0.000 0.000 0.243 374 I C 2.283 178.481 176.117 0.136 0.000 1.094 374 I CA 0.754 62.116 61.300 0.103 0.000 1.393 374 I CB -0.794 37.286 38.000 0.135 0.000 1.078 374 I HN 0.139 nan 8.210 nan 0.000 0.417 375 R N 2.051 122.647 120.500 0.159 0.000 2.136 375 R HA -0.198 4.142 4.340 0.000 0.000 0.242 375 R C 2.609 179.014 176.300 0.174 0.000 1.131 375 R CA 2.396 58.614 56.100 0.196 0.000 0.937 375 R CB -1.562 28.817 30.300 0.131 0.000 0.863 375 R HN 0.618 nan 8.270 nan 0.000 0.435 376 V N -1.263 118.725 119.914 0.124 0.000 2.427 376 V HA -0.012 4.108 4.120 0.000 0.000 0.248 376 V C 2.346 178.472 176.094 0.054 0.000 1.051 376 V CA 1.852 64.213 62.300 0.102 0.000 1.048 376 V CB -1.113 30.751 31.823 0.070 0.000 0.666 376 V HN 0.273 nan 8.190 nan 0.000 0.456 377 A N 0.559 123.404 122.820 0.043 0.000 2.225 377 A HA 0.434 4.754 4.320 0.000 0.000 0.215 377 A C 1.682 179.263 177.584 -0.006 0.000 1.164 377 A CA 1.261 53.304 52.037 0.011 0.000 0.710 377 A CB -0.771 18.235 19.000 0.010 0.000 0.780 377 A HN 1.321 nan 8.150 nan 0.000 0.473 378 A N -0.209 122.626 122.820 0.024 0.000 3.150 378 A HA 0.530 4.850 4.320 0.000 0.000 0.328 378 A C 0.944 178.587 177.584 0.097 0.000 1.104 378 A CA 0.097 52.119 52.037 -0.026 0.000 0.937 378 A CB -1.075 17.851 19.000 -0.122 0.000 1.073 378 A HN 1.591 nan 8.150 nan 0.000 0.497 379 G N 0.829 109.714 108.800 0.141 0.000 2.246 379 G HA2 -0.115 3.845 3.960 0.000 0.000 0.227 379 G HA3 -0.115 3.845 3.960 0.000 0.000 0.227 379 G C -0.127 175.019 174.900 0.409 0.000 0.404 379 G CA 1.276 46.602 45.100 0.377 0.000 1.034 379 G HN 0.892 nan 8.290 nan 0.000 0.425 380 E N 2.390 122.958 120.200 0.612 0.000 2.392 380 E HA 0.544 4.894 4.350 0.000 0.000 0.279 380 E C -2.540 174.226 176.600 0.277 0.000 0.964 380 E CA -1.910 54.639 56.400 0.249 0.000 0.777 380 E CB 2.778 32.601 29.700 0.205 0.000 1.249 380 E HN 0.290 nan 8.360 nan 0.000 0.449 381 P HA 0.311 nan 4.420 nan 0.000 0.306 381 P C -0.735 176.619 177.300 0.090 0.000 1.309 381 P CA -0.513 62.650 63.100 0.104 0.000 0.759 381 P CB 0.959 32.669 31.700 0.018 0.000 1.314 382 L N 0.777 122.036 121.223 0.061 0.000 2.298 382 L HA 0.202 4.542 4.340 0.000 0.000 0.284 382 L C 1.847 178.726 176.870 0.015 0.000 1.013 382 L CA -0.415 54.447 54.840 0.038 0.000 0.824 382 L CB 1.373 43.449 42.059 0.028 0.000 1.221 382 L HN 0.421 nan 8.230 nan 0.000 0.418 383 S N 3.569 119.274 115.700 0.009 0.000 2.440 383 S HA -0.083 4.387 4.470 0.000 0.000 0.240 383 S C 0.610 175.203 174.600 -0.013 0.000 1.014 383 S CA 0.572 58.770 58.200 -0.003 0.000 0.980 383 S CB -0.563 62.633 63.200 -0.007 0.000 0.775 383 S HN 0.614 nan 8.310 nan 0.000 0.499 384 I N -0.812 119.748 120.570 -0.018 0.000 2.730 384 I HA 0.679 4.849 4.170 0.000 0.000 0.298 384 I C -0.203 175.890 176.117 -0.039 0.000 1.089 384 I CA -1.057 60.224 61.300 -0.031 0.000 1.041 384 I CB 2.249 40.224 38.000 -0.041 0.000 1.235 384 I HN 0.058 nan 8.210 nan 0.000 0.423 385 T N 0.332 114.859 114.554 -0.045 0.000 2.884 385 T HA 0.306 4.656 4.350 0.000 0.000 0.277 385 T C 0.782 175.427 174.700 -0.092 0.000 0.976 385 T CA -0.566 61.501 62.100 -0.055 0.000 0.956 385 T CB 1.333 70.178 68.868 -0.038 0.000 1.113 385 T HN 0.687 nan 8.240 nan 0.000 0.554 386 Q N 0.119 119.851 119.800 -0.115 0.000 2.170 386 Q HA -0.025 4.315 4.340 0.000 0.000 0.203 386 Q C 2.384 178.302 176.000 -0.137 0.000 0.976 386 Q CA 1.781 57.471 55.803 -0.188 0.000 0.858 386 Q CB -0.953 27.672 28.738 -0.189 0.000 0.907 386 Q HN 0.974 nan 8.270 nan 0.000 0.433 387 G N 0.935 109.687 108.800 -0.079 0.000 2.484 387 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 387 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 387 G C 0.772 175.641 174.900 -0.052 0.000 1.130 387 G CA 0.692 45.760 45.100 -0.052 0.000 0.784 387 G HN 0.271 nan 8.290 nan 0.000 0.543 388 D N 0.526 120.888 120.400 -0.062 0.000 2.146 388 D HA -0.026 4.614 4.640 0.000 0.000 0.209 388 D C 1.602 177.860 176.300 -0.069 0.000 0.973 388 D CA 0.108 54.075 54.000 -0.055 0.000 0.860 388 D CB -0.839 39.931 40.800 -0.050 0.000 1.015 388 D HN 0.028 nan 8.370 nan 0.000 0.465 389 V N 2.733 122.588 119.914 -0.098 0.000 2.726 389 V HA -0.122 3.998 4.120 0.000 0.000 0.251 389 V C 0.809 176.847 176.094 -0.093 0.000 0.966 389 V CA 0.417 62.649 62.300 -0.113 0.000 1.185 389 V CB -1.047 30.667 31.823 -0.182 0.000 1.006 389 V HN 0.055 nan 8.190 nan 0.000 0.473 390 K N 5.159 125.520 120.400 -0.065 0.000 2.110 390 K HA 0.536 4.856 4.320 0.000 0.000 0.263 390 K C -0.660 175.915 176.600 -0.042 0.000 0.975 390 K CA -0.715 55.546 56.287 -0.042 0.000 0.895 390 K CB 1.627 34.111 32.500 -0.025 0.000 1.060 390 K HN 0.558 nan 8.250 nan 0.000 0.448 391 L N 3.847 125.055 121.223 -0.024 0.000 2.301 391 L HA 0.310 4.650 4.340 0.000 0.000 0.278 391 L C -0.074 176.806 176.870 0.017 0.000 1.022 391 L CA -0.704 54.119 54.840 -0.028 0.000 0.854 391 L CB 1.412 43.444 42.059 -0.045 0.000 1.226 391 L HN 0.481 nan 8.230 nan 0.000 0.429 392 T N 1.078 115.665 114.554 0.056 0.000 2.907 392 T HA 0.595 4.945 4.350 0.000 0.000 0.284 392 T C 0.797 175.752 174.700 0.425 0.000 1.004 392 T CA 0.227 62.436 62.100 0.182 0.000 1.063 392 T CB 1.821 70.798 68.868 0.182 0.000 0.992 392 T HN 0.874 nan 8.240 nan 0.000 0.483 393 G N 1.093 110.113 108.800 0.367 0.000 2.625 393 G HA2 -0.213 3.747 3.960 0.000 0.000 0.311 393 G HA3 -0.213 3.747 3.960 0.000 0.000 0.311 393 G C -0.805 174.244 174.900 0.249 0.000 1.324 393 G CA -0.115 45.135 45.100 0.251 0.000 0.918 393 G HN 0.709 nan 8.290 nan 0.000 0.556 394 W N -0.614 120.633 121.300 -0.088 0.000 2.647 394 W HA 0.705 5.365 4.660 0.000 0.000 0.353 394 W C 0.341 176.959 176.519 0.164 0.000 1.080 394 W CA 0.340 57.709 57.345 0.040 0.000 1.208 394 W CB 2.215 31.636 29.460 -0.066 0.000 1.396 394 W HN 1.101 nan 8.180 nan 0.000 0.573 395 A N 2.696 125.717 122.820 0.334 0.000 2.427 395 A HA 0.801 5.121 4.320 0.000 0.000 0.298 395 A C -1.799 175.943 177.584 0.265 0.000 1.036 395 A CA -0.533 51.684 52.037 0.300 0.000 0.701 395 A CB 0.781 19.909 19.000 0.214 0.000 1.250 395 A HN 0.412 nan 8.150 nan 0.000 0.412 396 I N 1.031 121.738 120.570 0.229 0.000 2.509 396 I HA 0.502 4.672 4.170 0.000 0.000 0.293 396 I C -0.051 176.128 176.117 0.104 0.000 1.020 396 I CA -0.121 61.298 61.300 0.199 0.000 1.088 396 I CB 2.187 40.325 38.000 0.231 0.000 1.267 396 I HN 0.732 nan 8.210 nan 0.000 0.430 397 E N 5.254 125.486 120.200 0.053 0.000 2.244 397 E HA 0.427 4.777 4.350 0.000 0.000 0.260 397 E C -1.379 175.187 176.600 -0.057 0.000 0.884 397 E CA -0.686 55.709 56.400 -0.008 0.000 0.777 397 E CB 1.020 30.700 29.700 -0.035 0.000 1.197 397 E HN 0.509 nan 8.360 nan 0.000 0.416 398 N N 2.710 121.362 118.700 -0.081 0.000 2.472 398 N HA 0.418 5.158 4.740 0.000 0.000 0.289 398 N C -0.868 174.537 175.510 -0.175 0.000 1.156 398 N CA -0.445 52.522 53.050 -0.138 0.000 0.940 398 N CB 1.318 39.714 38.487 -0.151 0.000 1.200 398 N HN 0.391 nan 8.380 nan 0.000 0.511 399 R N 0.806 121.160 120.500 -0.242 0.000 2.343 399 R HA 0.391 4.731 4.340 0.000 0.000 0.320 399 R C -0.430 175.620 176.300 -0.415 0.000 0.956 399 R CA -0.646 55.216 56.100 -0.396 0.000 0.836 399 R CB 1.529 31.444 30.300 -0.642 0.000 1.151 399 R HN 0.355 nan 8.270 nan 0.000 0.450 400 L N 4.916 125.922 121.223 -0.361 0.000 2.312 400 L HA 0.284 4.624 4.340 0.000 0.000 0.287 400 L C -0.869 175.889 176.870 -0.186 0.000 1.091 400 L CA -0.191 54.479 54.840 -0.284 0.000 0.846 400 L CB 0.107 41.954 42.059 -0.353 0.000 1.219 400 L HN 0.583 nan 8.230 nan 0.000 0.439 401 Y N 2.059 122.349 120.300 -0.017 0.000 2.342 401 Y HA 0.311 4.861 4.550 0.000 0.000 0.334 401 Y C 0.846 176.763 175.900 0.028 0.000 1.067 401 Y CA -1.140 56.971 58.100 0.018 0.000 1.128 401 Y CB 1.763 40.251 38.460 0.047 0.000 1.200 401 Y HN 0.625 nan 8.280 nan 0.000 0.464 402 A N 4.491 127.461 122.820 0.249 0.000 3.048 402 A HA 0.187 4.507 4.320 0.000 0.000 0.264 402 A C -0.226 177.412 177.584 0.091 0.000 1.796 402 A CA 0.120 52.252 52.037 0.158 0.000 1.445 402 A CB -0.765 18.317 19.000 0.136 0.000 1.074 402 A HN 0.809 nan 8.150 nan 0.000 0.621 403 E N 0.224 120.454 120.200 0.049 0.000 2.317 403 E HA 0.254 4.604 4.350 0.000 0.000 0.270 403 E C -1.589 174.883 176.600 -0.212 0.000 0.885 403 E CA -0.851 55.516 56.400 -0.055 0.000 0.760 403 E CB 1.820 31.510 29.700 -0.018 0.000 1.227 403 E HN 0.345 nan 8.360 nan 0.000 0.434 404 D N 3.064 123.322 120.400 -0.237 0.000 2.443 404 D HA 0.200 4.840 4.640 0.000 0.000 0.221 404 D C -1.951 174.037 176.300 -0.519 0.000 1.097 404 D CA -2.459 51.368 54.000 -0.290 0.000 0.865 404 D CB 1.456 42.196 40.800 -0.100 0.000 1.034 404 D HN 0.038 nan 8.370 nan 0.000 0.511 405 P HA -0.156 nan 4.420 nan 0.000 0.216 405 P C 0.883 177.958 177.300 -0.374 0.000 1.153 405 P CA 1.243 63.661 63.100 -1.137 0.000 0.858 405 P CB -0.010 31.137 31.700 -0.921 0.000 0.789 406 Y N -0.865 119.396 120.300 -0.065 0.000 2.403 406 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 406 Y C 1.116 177.001 175.900 -0.025 0.000 1.143 406 Y CA 0.603 58.687 58.100 -0.027 0.000 1.257 406 Y CB -0.262 38.168 38.460 -0.049 0.000 0.984 406 Y HN -0.177 nan 8.280 nan 0.000 0.550 407 R N 0.160 120.710 120.500 0.083 0.000 2.651 407 R HA 0.275 4.615 4.340 0.000 0.000 0.282 407 R C 0.423 176.762 176.300 0.064 0.000 1.565 407 R CA -0.079 56.061 56.100 0.065 0.000 1.661 407 R CB 0.691 31.019 30.300 0.046 0.000 1.189 407 R HN 0.245 nan 8.270 nan 0.000 0.621 408 G N 2.495 111.363 108.800 0.114 0.000 2.424 408 G HA2 -0.330 3.630 3.960 0.000 0.000 0.294 408 G HA3 -0.330 3.630 3.960 0.000 0.000 0.294 408 G C 0.269 175.318 174.900 0.247 0.000 0.939 408 G CA 0.470 45.673 45.100 0.172 0.000 1.143 408 G HN 0.605 nan 8.290 nan 0.000 0.507 412 P HA 0.270 nan 4.420 nan 0.000 0.270 412 P C -1.309 176.001 177.300 0.017 0.000 1.227 412 P CA -0.060 63.043 63.100 0.006 0.000 0.788 412 P CB 0.742 32.444 31.700 0.002 0.000 0.926 413 S N 0.805 116.525 115.700 0.032 0.000 2.513 413 S HA 0.699 5.169 4.470 0.000 0.000 0.299 413 S C -1.085 173.552 174.600 0.063 0.000 1.087 413 S CA -0.559 57.667 58.200 0.043 0.000 1.012 413 S CB 0.098 63.325 63.200 0.045 0.000 1.044 413 S HN 0.259 nan 8.310 nan 0.000 0.485 414 I N 3.346 123.955 120.570 0.065 0.000 2.498 414 I HA 0.869 5.039 4.170 0.000 0.000 0.290 414 I C 0.092 176.257 176.117 0.080 0.000 1.032 414 I CA 0.557 61.905 61.300 0.080 0.000 1.073 414 I CB 1.428 39.476 38.000 0.079 0.000 1.251 414 I HN 0.924 nan 8.210 nan 0.000 0.426 415 G N 5.566 114.420 108.800 0.089 0.000 2.341 415 G HA2 0.229 4.189 3.960 0.000 0.000 0.293 415 G HA3 0.229 4.189 3.960 0.000 0.000 0.293 415 G C -1.671 173.282 174.900 0.088 0.000 1.298 415 G CA -1.141 44.009 45.100 0.084 0.000 0.868 415 G HN 0.664 nan 8.290 nan 0.000 0.540 416 R N -0.744 119.806 120.500 0.084 0.000 2.500 416 R HA 0.684 5.024 4.340 0.000 0.000 0.275 416 R C -0.146 176.214 176.300 0.100 0.000 1.051 416 R CA -0.673 55.480 56.100 0.088 0.000 1.088 416 R CB 0.615 30.961 30.300 0.077 0.000 1.063 416 R HN 0.376 nan 8.270 nan 0.000 0.511 417 L N 4.076 125.364 121.223 0.109 0.000 2.270 417 L HA 0.192 4.532 4.340 0.000 0.000 0.286 417 L C 0.938 177.891 176.870 0.139 0.000 1.059 417 L CA -0.376 54.547 54.840 0.138 0.000 0.839 417 L CB 1.456 43.595 42.059 0.133 0.000 1.221 417 L HN 0.908 nan 8.230 nan 0.000 0.431 418 T N 1.270 115.903 114.554 0.131 0.000 2.612 418 T HA -0.028 4.322 4.350 0.000 0.000 0.259 418 T C 1.090 175.863 174.700 0.121 0.000 1.065 418 T CA 0.975 63.139 62.100 0.107 0.000 1.167 418 T CB 0.067 68.993 68.868 0.097 0.000 0.863 418 T HN 0.316 nan 8.240 nan 0.000 0.407 419 R N 0.522 121.108 120.500 0.144 0.000 2.532 419 R HA 0.430 4.770 4.340 0.000 0.000 0.295 419 R C -1.766 174.668 176.300 0.223 0.000 0.968 419 R CA -0.545 55.638 56.100 0.138 0.000 0.916 419 R CB 1.255 31.617 30.300 0.104 0.000 1.124 419 R HN 0.405 nan 8.270 nan 0.000 0.463 420 Y N 3.585 123.930 120.300 0.074 0.000 2.325 420 Y HA 0.303 4.853 4.550 0.000 0.000 0.336 420 Y C -1.236 174.674 175.900 0.017 0.000 1.130 420 Y CA -0.660 57.498 58.100 0.098 0.000 1.264 420 Y CB 0.525 39.060 38.460 0.125 0.000 1.128 420 Y HN 0.456 nan 8.280 nan 0.000 0.469 421 R N 4.312 124.535 120.500 -0.463 0.000 2.795 421 R HA 0.509 4.849 4.340 0.000 0.000 0.275 421 R C -0.600 175.234 176.300 -0.776 0.000 0.981 421 R CA -0.059 55.764 56.100 -0.461 0.000 0.917 421 R CB 1.804 31.978 30.300 -0.210 0.000 1.202 421 R HN 0.967 nan 8.270 nan 0.000 0.469 429 V N 1.162 121.147 119.914 0.118 0.000 2.612 429 V HA 0.723 4.843 4.120 0.000 0.000 0.301 429 V C -0.192 175.935 176.094 0.055 0.000 1.059 429 V CA -0.386 61.961 62.300 0.078 0.000 0.886 429 V CB 1.726 33.575 31.823 0.044 0.000 1.007 429 V HN 1.062 nan 8.190 nan 0.000 0.426 430 R N 3.936 124.468 120.500 0.053 0.000 2.621 430 R HA 0.539 4.879 4.340 0.000 0.000 0.292 430 R C -1.102 175.219 176.300 0.035 0.000 0.969 430 R CA -0.544 55.574 56.100 0.030 0.000 0.887 430 R CB 1.698 32.007 30.300 0.015 0.000 1.180 430 R HN 0.783 nan 8.270 nan 0.000 0.450 431 N N 3.582 122.301 118.700 0.032 0.000 2.540 431 N HA 0.146 4.886 4.740 0.000 0.000 0.275 431 N C -1.633 173.913 175.510 0.060 0.000 1.053 431 N CA -0.509 52.579 53.050 0.063 0.000 0.876 431 N CB 1.409 39.934 38.487 0.064 0.000 1.284 431 N HN 0.584 nan 8.380 nan 0.000 0.518 432 D N 2.186 122.616 120.400 0.050 0.000 2.313 432 D HA 0.342 4.982 4.640 0.000 0.000 0.239 432 D C -0.440 175.898 176.300 0.064 0.000 1.142 432 D CA 0.474 54.498 54.000 0.039 0.000 0.847 432 D CB 1.537 42.346 40.800 0.014 0.000 1.082 432 D HN 0.288 nan 8.370 nan 0.000 0.480 433 T N 0.397 114.992 114.554 0.068 0.000 2.909 433 T HA 0.627 4.977 4.350 0.000 0.000 0.299 433 T C 0.905 175.606 174.700 0.003 0.000 1.073 433 T CA -0.968 61.177 62.100 0.075 0.000 0.999 433 T CB 1.982 70.956 68.868 0.176 0.000 1.098 433 T HN 0.282 nan 8.240 nan 0.000 0.477 434 G N 0.454 109.224 108.800 -0.050 0.000 3.651 434 G HA2 0.500 4.460 3.960 0.000 0.000 0.279 434 G HA3 0.500 4.460 3.960 0.000 0.000 0.279 434 G C -0.224 174.558 174.900 -0.197 0.000 1.024 434 G CA -0.037 45.001 45.100 -0.103 0.000 0.813 434 G HN 0.583 nan 8.290 nan 0.000 0.518 435 V N 0.238 120.014 119.914 -0.230 0.000 3.141 435 V HA 0.875 4.995 4.120 0.000 0.000 0.312 435 V C -1.427 174.455 176.094 -0.355 0.000 1.157 435 V CA -0.964 61.099 62.300 -0.396 0.000 1.041 435 V CB 2.395 33.961 31.823 -0.429 0.000 1.071 435 V HN 0.356 nan 8.190 nan 0.000 0.441 436 Y N 0.057 120.169 120.300 -0.314 0.000 2.689 436 Y HA 0.640 5.190 4.550 0.000 0.000 0.333 436 Y C -0.494 175.346 175.900 -0.099 0.000 1.190 436 Y CA -2.457 55.554 58.100 -0.147 0.000 1.063 436 Y CB 0.644 39.086 38.460 -0.030 0.000 1.294 436 Y HN 0.719 nan 8.280 nan 0.000 0.466 437 E N 0.440 120.822 120.200 0.304 0.000 2.324 437 E HA 0.427 4.777 4.350 0.000 0.000 0.271 437 E C 0.774 177.383 176.600 0.014 0.000 1.028 437 E CA 1.109 57.630 56.400 0.201 0.000 0.890 437 E CB -0.092 29.707 29.700 0.166 0.000 1.004 437 E HN 1.096 nan 8.360 nan 0.000 0.431 438 G N 2.911 111.753 108.800 0.069 0.000 2.238 438 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 438 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 438 G C 0.505 175.484 174.900 0.132 0.000 0.996 438 G CA -0.251 44.849 45.100 -0.000 0.000 0.632 438 G HN 0.866 nan 8.290 nan 0.000 0.503 439 G N -0.184 108.837 108.800 0.369 0.000 2.599 439 G HA2 0.530 4.490 3.960 0.000 0.000 0.264 439 G HA3 0.530 4.490 3.960 0.000 0.000 0.264 439 G C -0.340 174.651 174.900 0.152 0.000 1.200 439 G CA 0.565 45.911 45.100 0.410 0.000 0.896 439 G HN 0.550 nan 8.290 nan 0.000 0.536 440 E N -1.000 119.256 120.200 0.093 0.000 2.288 440 E HA 0.470 4.820 4.350 0.000 0.000 0.268 440 E C -0.771 175.866 176.600 0.061 0.000 0.885 440 E CA -0.767 55.678 56.400 0.077 0.000 0.767 440 E CB 1.843 31.593 29.700 0.083 0.000 1.220 440 E HN 0.286 nan 8.360 nan 0.000 0.427 441 I N 3.836 124.455 120.570 0.081 0.000 2.307 441 I HA 0.152 4.322 4.170 0.000 0.000 0.287 441 I C -0.108 176.096 176.117 0.145 0.000 1.054 441 I CA -0.394 60.966 61.300 0.100 0.000 1.218 441 I CB 0.915 38.971 38.000 0.092 0.000 1.398 441 I HN 0.424 nan 8.210 nan 0.000 0.475 442 S N 5.186 121.008 115.700 0.203 0.000 2.601 442 S HA 0.272 4.742 4.470 0.000 0.000 0.271 442 S C 1.139 175.933 174.600 0.324 0.000 1.305 442 S CA -0.879 57.486 58.200 0.276 0.000 1.022 442 S CB 1.329 64.716 63.200 0.311 0.000 0.940 442 S HN 0.715 nan 8.310 nan 0.000 0.525 443 M N -0.391 119.406 119.600 0.328 0.000 2.446 443 M HA 0.027 4.507 4.480 0.000 0.000 0.263 443 M C 0.225 176.550 176.300 0.041 0.000 1.066 443 M CA 1.292 56.685 55.300 0.155 0.000 1.087 443 M CB -1.018 31.610 32.600 0.047 0.000 1.406 443 M HN 0.679 nan 8.290 nan 0.000 0.459 444 Y N -0.156 120.125 120.300 -0.031 0.000 2.488 444 Y HA 0.264 4.814 4.550 0.000 0.000 0.319 444 Y C -0.456 175.012 175.900 -0.719 0.000 1.212 444 Y CA -0.318 57.588 58.100 -0.323 0.000 1.273 444 Y CB -1.084 37.150 38.460 -0.376 0.000 1.074 444 Y HN 0.212 nan 8.280 nan 0.000 0.503 445 Y N -2.526 117.885 120.300 0.185 0.000 2.914 445 Y HA 0.201 4.751 4.550 0.000 0.000 0.327 445 Y C -0.689 175.263 175.900 0.086 0.000 1.440 445 Y CA -2.385 55.800 58.100 0.141 0.000 1.086 445 Y CB 0.276 38.814 38.460 0.130 0.000 1.544 445 Y HN -0.305 nan 8.280 nan 0.000 0.442 446 D N 3.106 123.667 120.400 0.269 0.000 2.383 446 D HA 0.186 4.826 4.640 0.000 0.000 0.252 446 D C -1.601 174.794 176.300 0.160 0.000 1.166 446 D CA -1.731 52.364 54.000 0.158 0.000 0.879 446 D CB 0.980 41.864 40.800 0.140 0.000 1.164 446 D HN 0.188 nan 8.370 nan 0.000 0.462 447 P HA -0.091 nan 4.420 nan 0.000 0.242 447 P C 0.278 177.770 177.300 0.320 0.000 1.198 447 P CA 0.278 63.461 63.100 0.138 0.000 0.756 447 P CB -0.087 31.620 31.700 0.013 0.000 0.911 448 M N 1.208 121.047 119.600 0.400 0.000 2.200 448 M HA 0.170 4.650 4.480 0.000 0.000 0.355 448 M C 1.329 177.708 176.300 0.133 0.000 1.283 448 M CA -0.101 55.416 55.300 0.362 0.000 1.124 448 M CB 0.600 33.357 32.600 0.262 0.000 1.625 448 M HN -0.116 nan 8.290 nan 0.000 0.463 449 I N 2.036 122.645 120.570 0.065 0.000 3.790 449 I HA 0.637 4.807 4.170 0.000 0.000 0.305 449 I C 0.172 176.316 176.117 0.044 0.000 1.253 449 I CA 0.116 61.437 61.300 0.036 0.000 1.355 449 I CB 0.448 38.484 38.000 0.060 0.000 1.137 449 I HN 0.665 nan 8.210 nan 0.000 0.435 450 A N 0.821 123.644 122.820 0.004 0.000 2.586 450 A HA 0.677 4.997 4.320 0.000 0.000 0.291 450 A C -1.517 176.035 177.584 -0.054 0.000 1.062 450 A CA -0.752 51.311 52.037 0.042 0.000 0.666 450 A CB 1.157 20.290 19.000 0.222 0.000 1.281 450 A HN 0.146 nan 8.150 nan 0.000 0.421 451 K N 0.558 120.952 120.400 -0.010 0.000 2.507 451 K HA 0.494 4.814 4.320 0.000 0.000 0.253 451 K C -1.415 175.187 176.600 0.004 0.000 0.969 451 K CA -0.392 55.864 56.287 -0.051 0.000 0.908 451 K CB 1.649 34.118 32.500 -0.051 0.000 1.127 451 K HN 0.476 nan 8.250 nan 0.000 0.437 452 L N 5.277 126.498 121.223 -0.002 0.000 2.315 452 L HA 0.322 4.662 4.340 0.000 0.000 0.278 452 L C -1.046 175.842 176.870 0.029 0.000 1.088 452 L CA -0.249 54.624 54.840 0.056 0.000 0.899 452 L CB -0.089 42.017 42.059 0.080 0.000 1.277 452 L HN 0.657 nan 8.230 nan 0.000 0.431 453 C N 2.479 121.799 119.300 0.033 0.000 2.370 453 C HA 0.919 5.379 4.460 0.000 0.000 0.354 453 C C 0.763 175.802 174.990 0.081 0.000 1.218 453 C CA -0.350 58.692 59.018 0.041 0.000 2.154 453 C CB 0.880 28.627 27.740 0.011 0.000 2.391 453 C HN 0.877 nan 8.230 nan 0.000 0.540 454 T N -0.593 114.032 114.554 0.118 0.000 2.838 454 T HA 0.849 5.199 4.350 0.000 0.000 0.292 454 T C -1.168 173.691 174.700 0.264 0.000 1.113 454 T CA -0.498 61.697 62.100 0.158 0.000 1.008 454 T CB 2.059 70.991 68.868 0.107 0.000 1.259 454 T HN 1.165 nan 8.240 nan 0.000 0.520 455 W N 0.559 121.888 121.300 0.049 0.000 3.057 455 W HA 0.677 5.337 4.660 0.000 0.000 0.328 455 W C -2.191 174.367 176.519 0.065 0.000 1.232 455 W CA -0.550 56.833 57.345 0.064 0.000 1.187 455 W CB 0.760 30.239 29.460 0.032 0.000 1.417 455 W HN 1.360 nan 8.180 nan 0.000 0.569 456 A N 2.193 123.941 122.820 -1.787 0.000 2.799 456 A HA 0.648 4.968 4.320 0.000 0.000 0.308 456 A C -2.679 174.045 177.584 -1.432 0.000 1.108 456 A CA -0.180 50.969 52.037 -1.480 0.000 0.600 456 A CB 0.649 19.310 19.000 -0.565 0.000 1.452 456 A HN 0.293 nan 8.150 nan 0.000 0.617 457 P HA 0.080 nan 4.420 nan 0.000 0.209 457 P C 0.891 178.086 177.300 -0.174 0.000 1.201 457 P CA 2.169 65.059 63.100 -0.349 0.000 0.911 457 P CB -0.552 31.049 31.700 -0.165 0.000 0.758 458 T N -2.844 111.625 114.554 -0.141 0.000 2.849 458 T HA 0.252 4.602 4.350 0.000 0.000 0.284 458 T C 1.336 175.931 174.700 -0.176 0.000 1.004 458 T CA -0.584 61.448 62.100 -0.113 0.000 1.021 458 T CB 1.577 70.363 68.868 -0.137 0.000 1.013 458 T HN -0.011 nan 8.240 nan 0.000 0.527 459 R N 0.692 120.941 120.500 -0.419 0.000 2.066 459 R HA -0.010 4.330 4.340 0.000 0.000 0.232 459 R C 2.616 178.698 176.300 -0.363 0.000 1.131 459 R CA 1.281 57.010 56.100 -0.618 0.000 0.955 459 R CB -1.042 28.364 30.300 -1.490 0.000 0.851 459 R HN 0.847 nan 8.270 nan 0.000 0.432 460 A N 0.949 123.572 122.820 -0.329 0.000 1.997 460 A HA -0.222 4.098 4.320 0.000 0.000 0.221 460 A C 2.308 179.799 177.584 -0.155 0.000 1.172 460 A CA 1.957 53.859 52.037 -0.224 0.000 0.645 460 A CB -0.788 18.102 19.000 -0.183 0.000 0.813 460 A HN 0.589 nan 8.150 nan 0.000 0.454 461 A N -0.142 122.584 122.820 -0.157 0.000 1.835 461 A HA 0.143 4.463 4.320 0.000 0.000 0.215 461 A C 2.583 180.102 177.584 -0.109 0.000 1.199 461 A CA 2.388 54.345 52.037 -0.134 0.000 0.615 461 A CB -1.331 17.565 19.000 -0.173 0.000 0.838 461 A HN 1.235 nan 8.150 nan 0.000 0.444 462 A N -0.195 122.559 122.820 -0.110 0.000 1.948 462 A HA -0.135 4.185 4.320 0.000 0.000 0.220 462 A C 1.939 179.533 177.584 0.017 0.000 1.177 462 A CA 1.826 53.842 52.037 -0.035 0.000 0.636 462 A CB -0.608 18.424 19.000 0.053 0.000 0.815 462 A HN 0.458 nan 8.150 nan 0.000 0.449 463 I N -0.375 120.192 120.570 -0.004 0.000 2.493 463 I HA -0.147 4.023 4.170 0.000 0.000 0.254 463 I C 2.289 178.425 176.117 0.032 0.000 1.160 463 I CA 1.736 63.066 61.300 0.049 0.000 1.445 463 I CB -1.236 36.761 38.000 -0.005 0.000 1.086 463 I HN 0.427 nan 8.210 nan 0.000 0.433 464 E N 1.568 121.761 120.200 -0.011 0.000 2.033 464 E HA -0.030 4.320 4.350 0.000 0.000 0.189 464 E C 2.293 178.892 176.600 -0.001 0.000 0.979 464 E CA 1.433 57.827 56.400 -0.011 0.000 0.802 464 E CB -0.176 29.504 29.700 -0.033 0.000 0.763 464 E HN 0.299 nan 8.360 nan 0.000 0.449 465 A N 0.644 123.459 122.820 -0.008 0.000 1.917 465 A HA -0.255 4.065 4.320 0.000 0.000 0.219 465 A C 2.234 179.832 177.584 0.024 0.000 1.182 465 A CA 2.337 54.377 52.037 0.005 0.000 0.633 465 A CB -0.736 18.267 19.000 0.004 0.000 0.819 465 A HN 0.433 nan 8.150 nan 0.000 0.448 466 M N -0.850 118.771 119.600 0.035 0.000 2.059 466 M HA -0.115 4.365 4.480 0.000 0.000 0.259 466 M C 2.088 178.406 176.300 0.029 0.000 1.072 466 M CA 1.825 57.150 55.300 0.042 0.000 1.117 466 M CB -0.550 32.083 32.600 0.056 0.000 1.320 466 M HN 0.299 nan 8.290 nan 0.000 0.408 467 R N 0.600 121.117 120.500 0.028 0.000 2.119 467 R HA -0.147 4.193 4.340 0.000 0.000 0.246 467 R C 2.088 178.399 176.300 0.018 0.000 1.146 467 R CA 2.213 58.326 56.100 0.021 0.000 0.962 467 R CB -1.288 29.027 30.300 0.025 0.000 0.863 467 R HN 0.650 nan 8.270 nan 0.000 0.442 468 I N 0.027 120.606 120.570 0.015 0.000 2.113 468 I HA -0.247 3.924 4.170 0.000 0.000 0.238 468 I C 2.558 178.687 176.117 0.020 0.000 1.070 468 I CA 1.348 62.655 61.300 0.012 0.000 1.332 468 I CB -0.783 37.220 38.000 0.005 0.000 1.044 468 I HN 0.083 nan 8.210 nan 0.000 0.402 469 A N 1.691 124.527 122.820 0.027 0.000 1.896 469 A HA -0.257 4.063 4.320 0.000 0.000 0.220 469 A C 2.361 179.992 177.584 0.078 0.000 1.206 469 A CA 2.114 54.177 52.037 0.043 0.000 0.647 469 A CB -1.253 17.780 19.000 0.056 0.000 0.828 469 A HN 0.429 nan 8.150 nan 0.000 0.455 470 L N -0.764 120.501 121.223 0.071 0.000 2.012 470 L HA -0.232 4.108 4.340 0.000 0.000 0.210 470 L C 2.238 179.156 176.870 0.080 0.000 1.073 470 L CA 1.683 56.568 54.840 0.076 0.000 0.748 470 L CB -0.826 41.237 42.059 0.007 0.000 0.891 470 L HN 0.383 nan 8.230 nan 0.000 0.431 471 D N -0.355 120.073 120.400 0.046 0.000 2.239 471 D HA -0.163 4.477 4.640 0.000 0.000 0.202 471 D C 2.033 178.355 176.300 0.037 0.000 0.993 471 D CA 1.596 55.617 54.000 0.035 0.000 0.874 471 D CB 0.080 40.890 40.800 0.016 0.000 0.922 471 D HN 0.306 nan 8.370 nan 0.000 0.464 472 S N -0.745 114.978 115.700 0.038 0.000 2.524 472 S HA 0.081 4.551 4.470 0.000 0.000 0.215 472 S C 0.505 175.105 174.600 0.000 0.000 0.986 472 S CA -0.595 57.608 58.200 0.006 0.000 0.911 472 S CB 0.419 63.602 63.200 -0.029 0.000 0.805 472 S HN 0.181 nan 8.310 nan 0.000 0.501 473 F N 3.549 123.445 119.950 -0.090 0.000 2.506 473 F HA 0.119 4.646 4.527 0.000 0.000 0.371 473 F C 0.357 176.073 175.800 -0.140 0.000 1.078 473 F CA -0.147 57.768 58.000 -0.142 0.000 1.195 473 F CB 0.376 39.288 39.000 -0.147 0.000 1.099 473 F HN 0.062 nan 8.300 nan 0.000 0.548 474 E N 4.934 125.207 120.200 0.123 0.000 2.133 474 E HA 0.468 4.818 4.350 0.000 0.000 0.274 474 E C -1.177 175.497 176.600 0.122 0.000 0.930 474 E CA -0.788 55.665 56.400 0.089 0.000 0.770 474 E CB 2.450 32.157 29.700 0.011 0.000 1.104 474 E HN 0.282 nan 8.360 nan 0.000 0.403 475 V N 3.583 123.557 119.914 0.100 0.000 2.623 475 V HA 0.320 4.440 4.120 0.000 0.000 0.304 475 V C -0.588 175.650 176.094 0.240 0.000 1.054 475 V CA -0.756 61.621 62.300 0.129 0.000 0.882 475 V CB 1.927 33.642 31.823 -0.181 0.000 1.002 475 V HN 0.602 nan 8.190 nan 0.000 0.424 476 E N 2.269 122.609 120.200 0.233 0.000 2.314 476 E HA 0.703 5.053 4.350 0.000 0.000 0.272 476 E C 0.655 177.364 176.600 0.182 0.000 0.884 476 E CA 0.194 56.717 56.400 0.204 0.000 0.753 476 E CB 1.999 31.790 29.700 0.151 0.000 1.213 476 E HN 0.897 nan 8.360 nan 0.000 0.432 477 G N 1.724 110.615 108.800 0.152 0.000 2.253 477 G HA2 -0.191 3.769 3.960 0.000 0.000 0.209 477 G HA3 -0.191 3.769 3.960 0.000 0.000 0.209 477 G C 0.220 175.191 174.900 0.118 0.000 0.997 477 G CA 0.174 45.348 45.100 0.123 0.000 0.640 477 G HN 0.508 nan 8.290 nan 0.000 0.496 478 I N -1.848 118.812 120.570 0.150 0.000 3.074 478 I HA 0.842 5.012 4.170 0.000 0.000 0.310 478 I C 0.397 176.575 176.117 0.102 0.000 1.153 478 I CA -1.047 60.328 61.300 0.126 0.000 0.993 478 I CB 1.791 39.881 38.000 0.149 0.000 1.237 478 I HN 0.284 nan 8.210 nan 0.000 0.443 479 G N 1.966 110.784 108.800 0.031 0.000 2.395 479 G HA2 0.605 4.565 3.960 0.000 0.000 0.283 479 G HA3 0.605 4.565 3.960 0.000 0.000 0.283 479 G C -0.710 174.152 174.900 -0.064 0.000 1.178 479 G CA -0.240 44.807 45.100 -0.088 0.000 0.837 479 G HN 1.032 nan 8.290 nan 0.000 0.518 480 H N -0.056 119.010 119.070 -0.006 0.000 3.017 480 H HA 0.265 4.821 4.556 0.000 0.000 0.346 480 H C -0.304 174.951 175.328 -0.122 0.000 1.286 480 H CA -0.850 55.171 56.048 -0.045 0.000 1.120 480 H CB 1.478 31.228 29.762 -0.020 0.000 1.860 480 H HN 0.455 nan 8.280 nan 0.000 0.542 481 N N 0.864 119.598 118.700 0.057 0.000 2.383 481 N HA -0.047 4.693 4.740 0.000 0.000 0.192 481 N C 1.142 176.666 175.510 0.023 0.000 1.141 481 N CA -0.187 52.832 53.050 -0.052 0.000 0.851 481 N CB 0.008 38.514 38.487 0.030 0.000 0.976 481 N HN 0.464 nan 8.380 nan 0.000 0.465 482 L N 1.603 122.930 121.223 0.175 0.000 2.021 482 L HA -0.118 4.222 4.340 0.000 0.000 0.215 482 L C -0.498 176.375 176.870 0.004 0.000 1.074 482 L CA 2.198 57.051 54.840 0.022 0.000 0.760 482 L CB -1.215 40.816 42.059 -0.046 0.000 0.889 482 L HN 0.176 nan 8.230 nan 0.000 0.433 483 P HA -0.226 nan 4.420 nan 0.000 0.217 483 P C 1.826 178.993 177.300 -0.223 0.000 1.151 483 P CA 1.417 64.557 63.100 0.067 0.000 0.828 483 P CB -0.284 31.595 31.700 0.299 0.000 0.788 484 F N 1.435 120.978 119.950 -0.678 0.000 2.075 484 F HA -0.164 4.363 4.527 0.000 0.000 0.297 484 F C 2.280 177.744 175.800 -0.560 0.000 1.113 484 F CA 1.297 58.640 58.000 -1.094 0.000 1.218 484 F CB -1.309 37.159 39.000 -0.887 0.000 0.984 484 F HN -0.303 nan 8.300 nan 0.000 0.472 485 L N -0.493 120.419 121.223 -0.519 0.000 1.971 485 L HA -0.303 4.037 4.340 0.000 0.000 0.215 485 L C 2.604 179.227 176.870 -0.412 0.000 1.072 485 L CA 1.784 56.317 54.840 -0.511 0.000 0.758 485 L CB -1.346 40.545 42.059 -0.281 0.000 0.889 485 L HN 0.102 nan 8.230 nan 0.000 0.433 486 S N -0.152 115.401 115.700 -0.246 0.000 2.380 486 S HA -0.290 4.180 4.470 0.000 0.000 0.229 486 S C 2.161 176.691 174.600 -0.116 0.000 1.043 486 S CA 1.468 59.591 58.200 -0.129 0.000 1.038 486 S CB -0.442 62.736 63.200 -0.037 0.000 0.872 486 S HN 0.534 nan 8.310 nan 0.000 0.456 487 A N 1.076 123.793 122.820 -0.172 0.000 1.883 487 A HA -0.118 4.202 4.320 0.000 0.000 0.217 487 A C 2.479 180.072 177.584 0.015 0.000 1.186 487 A CA 2.025 54.042 52.037 -0.033 0.000 0.624 487 A CB -1.148 17.828 19.000 -0.039 0.000 0.822 487 A HN 0.622 nan 8.150 nan 0.000 0.444 488 V N -1.887 117.900 119.914 -0.212 0.000 2.427 488 V HA -0.193 3.927 4.120 0.000 0.000 0.248 488 V C 2.120 178.171 176.094 -0.072 0.000 1.051 488 V CA 2.183 64.444 62.300 -0.064 0.000 1.048 488 V CB -0.717 30.887 31.823 -0.364 0.000 0.666 488 V HN 0.443 nan 8.190 nan 0.000 0.456 489 M N 0.612 120.100 119.600 -0.186 0.000 2.346 489 M HA -0.108 4.372 4.480 0.000 0.000 0.263 489 M C 1.410 177.837 176.300 0.211 0.000 1.064 489 M CA 1.668 56.968 55.300 -0.001 0.000 1.083 489 M CB -1.327 31.256 32.600 -0.028 0.000 1.399 489 M HN 0.475 nan 8.290 nan 0.000 0.435 490 D N -1.716 118.778 120.400 0.156 0.000 2.379 490 D HA 0.003 4.643 4.640 0.000 0.000 0.208 490 D C 0.630 177.058 176.300 0.214 0.000 1.065 490 D CA 0.231 54.326 54.000 0.158 0.000 0.848 490 D CB -0.041 40.823 40.800 0.106 0.000 0.949 490 D HN 0.199 nan 8.370 nan 0.000 0.509 491 H N 2.303 121.499 119.070 0.209 0.000 3.026 491 H HA 0.025 4.581 4.556 0.000 0.000 0.289 491 H C -1.453 174.022 175.328 0.244 0.000 1.022 491 H CA -1.488 54.710 56.048 0.250 0.000 1.477 491 H CB 1.262 31.257 29.762 0.389 0.000 1.510 491 H HN -0.054 nan 8.280 nan 0.000 0.535 492 P HA -0.272 nan 4.420 nan 0.000 0.218 492 P C 1.312 178.808 177.300 0.328 0.000 1.165 492 P CA 1.638 64.876 63.100 0.230 0.000 0.922 492 P CB 0.387 32.143 31.700 0.093 0.000 0.794 493 K N -1.424 119.316 120.400 0.566 0.000 2.160 493 K HA -0.179 4.141 4.320 0.000 0.000 0.206 493 K C 2.208 178.933 176.600 0.209 0.000 1.047 493 K CA 1.354 57.864 56.287 0.371 0.000 0.930 493 K CB -0.595 32.181 32.500 0.460 0.000 0.720 493 K HN 0.172 nan 8.250 nan 0.000 0.450 494 F N 1.192 121.193 119.950 0.086 0.000 2.206 494 F HA -0.103 4.424 4.527 0.000 0.000 0.298 494 F C 1.772 177.528 175.800 -0.074 0.000 1.090 494 F CA 0.920 58.836 58.000 -0.141 0.000 1.323 494 F CB 0.083 38.996 39.000 -0.145 0.000 1.028 494 F HN -0.106 nan 8.300 nan 0.000 0.492 495 I N 0.182 120.680 120.570 -0.119 0.000 2.252 495 I HA -0.266 3.904 4.170 0.000 0.000 0.245 495 I C 2.569 178.545 176.117 -0.234 0.000 1.102 495 I CA 1.435 62.601 61.300 -0.224 0.000 1.385 495 I CB -0.907 37.072 38.000 -0.035 0.000 1.064 495 I HN 0.254 nan 8.210 nan 0.000 0.414 496 S N 0.389 116.021 115.700 -0.113 0.000 2.453 496 S HA 0.083 4.553 4.470 0.000 0.000 0.231 496 S C 1.851 176.379 174.600 -0.121 0.000 1.005 496 S CA 0.727 58.874 58.200 -0.089 0.000 0.949 496 S CB 0.123 63.319 63.200 -0.008 0.000 0.774 496 S HN 0.643 nan 8.310 nan 0.000 0.510 497 G N 1.138 109.837 108.800 -0.168 0.000 2.241 497 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 497 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 497 G C -0.064 174.810 174.900 -0.043 0.000 0.998 497 G CA 0.148 45.159 45.100 -0.150 0.000 0.621 497 G HN 0.658 nan 8.290 nan 0.000 0.519 498 D N 1.832 122.232 120.400 -0.001 0.000 2.489 498 D HA 0.482 5.122 4.640 0.000 0.000 0.237 498 D C 1.043 177.372 176.300 0.048 0.000 1.212 498 D CA 0.331 54.352 54.000 0.036 0.000 1.058 498 D CB -0.589 40.248 40.800 0.062 0.000 1.098 498 D HN 0.617 nan 8.370 nan 0.000 0.509 499 M N 0.735 120.335 119.600 -0.001 0.000 2.501 499 M HA 0.555 5.035 4.480 0.000 0.000 0.293 499 M C -0.597 175.709 176.300 0.009 0.000 1.192 499 M CA -0.854 54.463 55.300 0.028 0.000 0.886 499 M CB 2.118 34.625 32.600 -0.154 0.000 1.710 499 M HN 0.041 nan 8.290 nan 0.000 0.457 500 T N -2.471 112.139 114.554 0.093 0.000 2.844 500 T HA 0.508 4.858 4.350 0.000 0.000 0.274 500 T C 0.994 175.751 174.700 0.094 0.000 0.991 500 T CA 0.086 62.219 62.100 0.055 0.000 0.983 500 T CB 1.073 69.976 68.868 0.058 0.000 1.310 500 T HN 0.813 nan 8.240 nan 0.000 0.596 501 T N -2.738 111.864 114.554 0.079 0.000 3.129 501 T HA 0.358 4.708 4.350 0.000 0.000 0.251 501 T C 1.630 176.389 174.700 0.099 0.000 1.117 501 T CA 0.240 62.395 62.100 0.090 0.000 1.034 501 T CB -0.394 68.528 68.868 0.089 0.000 0.968 501 T HN 0.761 nan 8.240 nan 0.000 0.526 502 A N 0.108 122.989 122.820 0.102 0.000 2.303 502 A HA 0.434 4.754 4.320 0.000 0.000 0.217 502 A C 1.475 179.115 177.584 0.094 0.000 1.205 502 A CA -0.357 51.726 52.037 0.077 0.000 0.875 502 A CB -0.813 18.213 19.000 0.042 0.000 0.910 502 A HN 0.451 nan 8.150 nan 0.000 0.501 503 F N 0.916 120.865 119.950 -0.002 0.000 2.053 503 F HA -0.357 4.170 4.527 0.000 0.000 0.295 503 F C 1.746 177.558 175.800 0.021 0.000 1.102 503 F CA 2.488 60.478 58.000 -0.016 0.000 1.225 503 F CB -0.273 38.711 39.000 -0.026 0.000 0.961 503 F HN 0.267 nan 8.300 nan 0.000 0.495 504 I N 0.798 121.512 120.570 0.239 0.000 2.163 504 I HA -0.247 3.923 4.170 0.000 0.000 0.243 504 I C 2.412 178.574 176.117 0.075 0.000 1.085 504 I CA 1.912 63.349 61.300 0.228 0.000 1.347 504 I CB -1.153 36.988 38.000 0.236 0.000 1.044 504 I HN 0.262 nan 8.210 nan 0.000 0.408 505 A N -0.555 122.279 122.820 0.022 0.000 1.930 505 A HA -0.180 4.140 4.320 0.000 0.000 0.217 505 A C 2.238 179.793 177.584 -0.048 0.000 1.175 505 A CA 1.735 53.768 52.037 -0.007 0.000 0.627 505 A CB -0.673 18.325 19.000 -0.003 0.000 0.815 505 A HN 0.580 nan 8.150 nan 0.000 0.443 506 E N -0.427 119.711 120.200 -0.104 0.000 2.028 506 E HA -0.131 4.219 4.350 0.000 0.000 0.190 506 E C 1.910 178.380 176.600 -0.216 0.000 0.984 506 E CA 1.084 57.403 56.400 -0.136 0.000 0.800 506 E CB -0.099 29.520 29.700 -0.134 0.000 0.758 506 E HN 0.493 nan 8.360 nan 0.000 0.448 507 E N -0.102 119.845 120.200 -0.422 0.000 2.208 507 E HA -0.097 4.253 4.350 0.000 0.000 0.193 507 E C 0.220 176.424 176.600 -0.660 0.000 0.988 507 E CA 0.922 56.962 56.400 -0.600 0.000 0.828 507 E CB 0.066 29.122 29.700 -1.073 0.000 0.763 507 E HN 0.400 nan 8.360 nan 0.000 0.478 508 Y N 0.663 120.931 120.300 -0.052 0.000 2.495 508 Y HA 0.201 4.751 4.550 0.000 0.000 0.362 508 Y C -1.529 174.374 175.900 0.005 0.000 0.956 508 Y CA -1.627 56.503 58.100 0.049 0.000 1.127 508 Y CB 1.111 39.657 38.460 0.144 0.000 1.173 508 Y HN -0.013 nan 8.280 nan 0.000 0.639 509 P HA -0.140 nan 4.420 nan 0.000 0.220 509 P C 0.265 177.596 177.300 0.053 0.000 1.148 509 P CA 1.442 64.563 63.100 0.035 0.000 0.803 509 P CB 0.615 32.317 31.700 0.003 0.000 0.782 510 E N 0.318 120.572 120.200 0.089 0.000 2.499 510 E HA 0.334 4.684 4.350 0.000 0.000 0.207 510 E C 1.188 177.864 176.600 0.125 0.000 1.034 510 E CA -0.043 56.409 56.400 0.087 0.000 1.098 510 E CB -0.060 29.686 29.700 0.076 0.000 1.148 510 E HN 0.226 nan 8.360 nan 0.000 0.447 511 G N 1.893 110.774 108.800 0.135 0.000 2.645 511 G HA2 -0.317 3.643 3.960 0.000 0.000 0.239 511 G HA3 -0.317 3.643 3.960 0.000 0.000 0.239 511 G C -0.633 174.449 174.900 0.304 0.000 1.331 511 G CA -0.402 44.794 45.100 0.160 0.000 0.890 511 G HN 0.293 nan 8.290 nan 0.000 0.572 512 F N 2.439 122.449 119.950 0.101 0.000 2.405 512 F HA 0.519 5.046 4.527 0.000 0.000 0.358 512 F C 1.407 177.300 175.800 0.154 0.000 1.151 512 F CA -0.836 57.224 58.000 0.100 0.000 1.161 512 F CB 0.250 39.193 39.000 -0.094 0.000 1.245 512 F HN 0.459 nan 8.300 nan 0.000 0.545 513 E N 4.441 124.674 120.200 0.056 0.000 2.382 513 E HA 0.223 4.573 4.350 0.000 0.000 0.190 513 E C 1.085 177.486 176.600 -0.331 0.000 1.125 513 E CA 0.326 56.670 56.400 -0.094 0.000 0.929 513 E CB -0.484 29.251 29.700 0.057 0.000 1.053 513 E HN 0.951 nan 8.360 nan 0.000 0.475 514 G N 0.230 108.380 108.800 -1.083 0.000 2.819 514 G HA2 -0.248 3.712 3.960 0.000 0.000 0.682 514 G HA3 -0.248 3.712 3.960 0.000 0.000 0.682 514 G C -0.421 174.353 174.900 -0.211 0.000 1.481 514 G CA -0.630 44.002 45.100 -0.781 0.000 0.904 514 G HN 0.118 nan 8.290 nan 0.000 0.563 515 V N 2.330 122.285 119.914 0.068 0.000 2.628 515 V HA 0.771 4.892 4.120 0.000 0.000 0.306 515 V C -0.026 176.137 176.094 0.114 0.000 1.045 515 V CA -0.380 62.035 62.300 0.192 0.000 0.905 515 V CB 1.976 33.982 31.823 0.305 0.000 0.997 515 V HN 1.277 nan 8.190 nan 0.000 0.436 516 N N 4.315 123.072 118.700 0.095 0.000 2.371 516 N HA 0.318 5.058 4.740 0.000 0.000 0.291 516 N C -1.312 174.236 175.510 0.064 0.000 1.053 516 N CA -0.672 52.419 53.050 0.070 0.000 0.870 516 N CB 1.822 40.340 38.487 0.052 0.000 1.503 516 N HN 0.322 nan 8.380 nan 0.000 0.485 517 L N 1.654 122.913 121.223 0.059 0.000 2.483 517 L HA 0.367 4.707 4.340 0.000 0.000 0.276 517 L C -1.927 174.971 176.870 0.047 0.000 1.213 517 L CA -1.097 53.771 54.840 0.047 0.000 0.843 517 L CB -0.793 41.286 42.059 0.034 0.000 1.107 517 L HN 0.440 nan 8.230 nan 0.000 0.487 518 P HA 0.203 nan 4.420 nan 0.000 0.279 518 P C 0.566 177.888 177.300 0.038 0.000 1.252 518 P CA -0.553 62.567 63.100 0.034 0.000 0.811 518 P CB 1.011 32.722 31.700 0.020 0.000 1.035 519 E N 1.623 121.856 120.200 0.054 0.000 2.110 519 E HA -0.309 4.042 4.350 0.000 0.000 0.225 519 E C 1.359 177.967 176.600 0.014 0.000 1.063 519 E CA 3.259 59.705 56.400 0.077 0.000 0.906 519 E CB -1.362 28.378 29.700 0.067 0.000 0.795 519 E HN 0.566 nan 8.360 nan 0.000 0.479 520 T N -1.364 113.179 114.554 -0.018 0.000 2.969 520 T HA -0.159 4.191 4.350 0.000 0.000 0.271 520 T C 1.191 175.853 174.700 -0.064 0.000 1.127 520 T CA 1.396 63.461 62.100 -0.059 0.000 1.102 520 T CB -0.222 68.617 68.868 -0.048 0.000 0.855 520 T HN 0.135 nan 8.240 nan 0.000 0.536 521 D N 0.868 121.244 120.400 -0.041 0.000 2.290 521 D HA 0.208 4.848 4.640 0.000 0.000 0.224 521 D C 2.244 178.501 176.300 -0.072 0.000 0.967 521 D CA 0.301 54.276 54.000 -0.041 0.000 0.893 521 D CB -0.282 40.511 40.800 -0.012 0.000 1.037 521 D HN 0.286 nan 8.370 nan 0.000 0.477 522 L N 0.753 121.939 121.223 -0.061 0.000 2.013 522 L HA -0.215 4.125 4.340 0.000 0.000 0.212 522 L C 2.650 179.311 176.870 -0.349 0.000 1.073 522 L CA 1.277 56.041 54.840 -0.126 0.000 0.753 522 L CB -0.318 41.748 42.059 0.013 0.000 0.890 522 L HN 0.006 nan 8.230 nan 0.000 0.432 523 R N -0.309 119.969 120.500 -0.370 0.000 2.097 523 R HA -0.216 4.124 4.340 0.000 0.000 0.236 523 R C 2.468 178.686 176.300 -0.136 0.000 1.135 523 R CA 1.922 57.778 56.100 -0.408 0.000 0.934 523 R CB -0.246 29.821 30.300 -0.388 0.000 0.846 523 R HN 0.248 nan 8.270 nan 0.000 0.431 524 R N -0.303 120.135 120.500 -0.103 0.000 2.097 524 R HA -0.168 4.172 4.340 0.000 0.000 0.236 524 R C 2.322 178.595 176.300 -0.045 0.000 1.135 524 R CA 1.927 58.005 56.100 -0.035 0.000 0.934 524 R CB -0.738 29.534 30.300 -0.047 0.000 0.846 524 R HN 0.081 nan 8.270 nan 0.000 0.431 525 V N 0.926 120.788 119.914 -0.086 0.000 2.231 525 V HA -0.350 3.770 4.120 0.000 0.000 0.248 525 V C 2.408 178.440 176.094 -0.103 0.000 1.054 525 V CA 2.119 64.359 62.300 -0.100 0.000 1.015 525 V CB -0.915 30.852 31.823 -0.093 0.000 0.638 525 V HN 0.564 nan 8.190 nan 0.000 0.444 526 A N -0.079 122.655 122.820 -0.144 0.000 1.881 526 A HA -0.334 3.986 4.320 0.000 0.000 0.219 526 A C 2.456 179.989 177.584 -0.085 0.000 1.215 526 A CA 3.227 55.183 52.037 -0.135 0.000 0.648 526 A CB -1.264 17.539 19.000 -0.328 0.000 0.832 526 A HN 0.739 nan 8.150 nan 0.000 0.455 527 A N -0.557 122.242 122.820 -0.034 0.000 1.903 527 A HA 0.017 4.337 4.320 0.000 0.000 0.219 527 A C 2.576 180.118 177.584 -0.071 0.000 1.191 527 A CA 2.987 54.991 52.037 -0.056 0.000 0.638 527 A CB -1.264 17.802 19.000 0.111 0.000 0.823 527 A HN 1.342 nan 8.150 nan 0.000 0.451 528 A N -0.333 122.443 122.820 -0.074 0.000 1.845 528 A HA 0.124 4.444 4.320 0.000 0.000 0.215 528 A C 2.593 180.086 177.584 -0.153 0.000 1.195 528 A CA 2.579 54.543 52.037 -0.121 0.000 0.616 528 A CB -1.299 17.609 19.000 -0.154 0.000 0.832 528 A HN 1.235 nan 8.150 nan 0.000 0.443 529 A N -0.184 122.555 122.820 -0.136 0.000 1.883 529 A HA 0.071 4.391 4.320 0.000 0.000 0.217 529 A C 2.554 180.200 177.584 0.102 0.000 1.186 529 A CA 2.604 54.627 52.037 -0.023 0.000 0.624 529 A CB -1.225 17.843 19.000 0.113 0.000 0.822 529 A HN 1.216 nan 8.150 nan 0.000 0.444 530 A N -0.217 122.594 122.820 -0.015 0.000 1.892 530 A HA 0.067 4.387 4.320 0.000 0.000 0.218 530 A C 2.540 180.050 177.584 -0.123 0.000 1.188 530 A CA 2.518 54.490 52.037 -0.108 0.000 0.631 530 A CB -1.130 17.789 19.000 -0.134 0.000 0.822 530 A HN 1.169 nan 8.150 nan 0.000 0.447 531 A N -0.264 122.506 122.820 -0.084 0.000 1.877 531 A HA -0.145 4.175 4.320 0.000 0.000 0.216 531 A C 2.294 179.870 177.584 -0.013 0.000 1.186 531 A CA 1.983 53.984 52.037 -0.061 0.000 0.620 531 A CB -0.630 18.343 19.000 -0.046 0.000 0.822 531 A HN 0.589 nan 8.150 nan 0.000 0.443 532 M N -1.550 118.051 119.600 0.002 0.000 2.067 532 M HA -0.165 4.315 4.480 0.000 0.000 0.260 532 M C 2.357 178.798 176.300 0.234 0.000 1.069 532 M CA 1.932 57.286 55.300 0.091 0.000 1.117 532 M CB -1.034 31.418 32.600 -0.247 0.000 1.334 532 M HN 0.615 nan 8.290 nan 0.000 0.407 533 H N 1.309 120.504 119.070 0.209 0.000 2.325 533 H HA -0.213 4.343 4.556 0.000 0.000 0.293 533 H C 2.242 177.457 175.328 -0.189 0.000 1.106 533 H CA 2.395 58.426 56.048 -0.028 0.000 1.247 533 H CB -0.251 29.345 29.762 -0.278 0.000 1.359 533 H HN 0.333 nan 8.280 nan 0.000 0.488 534 R N 0.368 120.747 120.500 -0.201 0.000 2.080 534 R HA -0.125 4.215 4.340 0.000 0.000 0.236 534 R C 2.561 178.794 176.300 -0.111 0.000 1.137 534 R CA 1.807 57.772 56.100 -0.225 0.000 0.943 534 R CB -0.471 29.729 30.300 -0.167 0.000 0.846 534 R HN 0.208 nan 8.270 nan 0.000 0.431 535 V N 1.236 121.134 119.914 -0.027 0.000 2.250 535 V HA -0.350 3.770 4.120 0.000 0.000 0.250 535 V C 2.564 178.655 176.094 -0.004 0.000 1.060 535 V CA 2.289 64.602 62.300 0.023 0.000 1.030 535 V CB -0.894 31.000 31.823 0.119 0.000 0.643 535 V HN 0.636 nan 8.190 nan 0.000 0.445 536 A N -0.920 121.898 122.820 -0.003 0.000 1.902 536 A HA -0.234 4.086 4.320 0.000 0.000 0.217 536 A C 2.147 179.659 177.584 -0.119 0.000 1.181 536 A CA 1.945 53.958 52.037 -0.041 0.000 0.623 536 A CB -0.545 18.448 19.000 -0.011 0.000 0.818 536 A HN 0.540 nan 8.150 nan 0.000 0.443 537 E N 0.166 120.231 120.200 -0.225 0.000 2.077 537 E HA -0.127 4.223 4.350 0.000 0.000 0.193 537 E C 1.709 178.283 176.600 -0.044 0.000 0.989 537 E CA 1.152 57.451 56.400 -0.167 0.000 0.800 537 E CB -0.384 29.197 29.700 -0.199 0.000 0.746 537 E HN 0.646 nan 8.360 nan 0.000 0.452 538 I N 0.287 120.840 120.570 -0.029 0.000 2.264 538 I HA -0.272 3.898 4.170 0.000 0.000 0.248 538 I C 2.600 178.715 176.117 -0.002 0.000 1.111 538 I CA 0.869 62.171 61.300 0.004 0.000 1.382 538 I CB -0.215 37.788 38.000 0.005 0.000 1.060 538 I HN 0.079 nan 8.210 nan 0.000 0.418 539 R N 1.379 121.868 120.500 -0.017 0.000 2.120 539 R HA -0.131 4.209 4.340 0.000 0.000 0.234 539 R C 2.215 178.508 176.300 -0.012 0.000 1.123 539 R CA 1.282 57.372 56.100 -0.017 0.000 0.975 539 R CB -0.207 30.076 30.300 -0.028 0.000 0.866 539 R HN 0.364 nan 8.270 nan 0.000 0.446 540 R N -0.639 119.854 120.500 -0.013 0.000 2.120 540 R HA -0.053 4.287 4.340 0.000 0.000 0.234 540 R C 1.988 178.293 176.300 0.009 0.000 1.123 540 R CA 1.678 57.776 56.100 -0.004 0.000 0.975 540 R CB -0.589 29.710 30.300 -0.002 0.000 0.866 540 R HN 0.207 nan 8.270 nan 0.000 0.446 541 T N 1.455 116.017 114.554 0.014 0.000 2.915 541 T HA -0.039 4.311 4.350 0.000 0.000 0.269 541 T C 1.379 176.089 174.700 0.017 0.000 1.071 541 T CA 0.913 63.026 62.100 0.022 0.000 1.132 541 T CB -0.042 68.843 68.868 0.028 0.000 0.878 541 T HN 0.228 nan 8.240 nan 0.000 0.479 542 R N 1.712 122.218 120.500 0.010 0.000 2.547 542 R HA 0.247 4.587 4.340 0.000 0.000 0.258 542 R C -0.035 176.269 176.300 0.006 0.000 1.115 542 R CA -0.074 56.031 56.100 0.008 0.000 1.152 542 R CB -0.807 29.495 30.300 0.003 0.000 1.221 542 R HN 0.272 nan 8.270 nan 0.000 0.539 543 V N 2.106 122.025 119.914 0.009 0.000 2.843 543 V HA -0.037 4.083 4.120 0.000 0.000 0.305 543 V C 1.223 177.322 176.094 0.009 0.000 1.065 543 V CA -0.087 62.217 62.300 0.007 0.000 1.116 543 V CB 1.314 33.143 31.823 0.009 0.000 0.968 543 V HN 0.423 nan 8.190 nan 0.000 0.487 544 S N 2.569 118.273 115.700 0.006 0.000 2.600 544 S HA 0.512 4.982 4.470 0.000 0.000 0.265 544 S C 1.111 175.716 174.600 0.009 0.000 1.325 544 S CA 0.061 58.266 58.200 0.007 0.000 1.002 544 S CB 1.057 64.259 63.200 0.005 0.000 0.921 544 S HN 2.296 nan 8.310 nan 0.000 0.554 545 G N 0.950 109.756 108.800 0.011 0.000 2.160 545 G HA2 -0.252 3.708 3.960 0.000 0.000 0.251 545 G HA3 -0.252 3.708 3.960 0.000 0.000 0.251 545 G C 0.063 174.972 174.900 0.015 0.000 1.008 545 G CA 0.224 45.331 45.100 0.011 0.000 0.724 545 G HN 1.067 nan 8.290 nan 0.000 0.514 546 R N -0.561 119.951 120.500 0.020 0.000 2.531 546 R HA 0.657 4.997 4.340 0.000 0.000 0.273 546 R C 0.805 177.127 176.300 0.037 0.000 1.070 546 R CA -0.997 55.120 56.100 0.028 0.000 1.112 546 R CB 0.697 31.017 30.300 0.032 0.000 1.049 546 R HN 0.202 nan 8.270 nan 0.000 0.508 547 M N 2.579 122.209 119.600 0.049 0.000 2.327 547 M HA -0.069 4.411 4.480 0.000 0.000 0.353 547 M C 0.573 176.933 176.300 0.100 0.000 1.539 547 M CA 0.912 56.253 55.300 0.069 0.000 1.039 547 M CB 0.000 32.646 32.600 0.076 0.000 1.967 547 M HN 0.656 nan 8.290 nan 0.000 0.459 551 H N 0.562 119.636 119.070 0.007 0.000 2.716 551 H HA 0.163 4.719 4.556 0.000 0.000 0.230 551 H C -0.064 175.269 175.328 0.009 0.000 1.401 551 H CA -0.437 55.615 56.048 0.007 0.000 1.168 551 H CB 0.463 30.228 29.762 0.006 0.000 1.935 551 H HN 0.076 nan 8.280 nan 0.000 0.538 552 E N 0.433 120.678 120.200 0.074 0.000 2.416 552 E HA 0.081 4.431 4.350 0.000 0.000 0.254 552 E C 0.530 177.162 176.600 0.054 0.000 1.241 552 E CA -0.663 55.771 56.400 0.057 0.000 0.969 552 E CB 1.365 31.085 29.700 0.034 0.000 0.999 552 E HN 0.377 nan 8.360 nan 0.000 0.481 553 R N 0.294 120.823 120.500 0.048 0.000 2.441 553 R HA 0.210 4.551 4.340 0.000 0.000 0.284 553 R C -0.418 175.910 176.300 0.047 0.000 1.070 553 R CA -0.344 55.786 56.100 0.049 0.000 1.047 553 R CB 0.617 30.947 30.300 0.050 0.000 1.016 553 R HN 0.572 nan 8.270 nan 0.000 0.477 554 R N 2.475 123.003 120.500 0.047 0.000 2.393 554 R HA 0.426 4.766 4.340 0.000 0.000 0.315 554 R C -1.034 175.310 176.300 0.074 0.000 0.952 554 R CA -1.077 55.051 56.100 0.048 0.000 0.842 554 R CB 1.374 31.693 30.300 0.030 0.000 1.163 554 R HN 0.303 nan 8.270 nan 0.000 0.450 555 V N 2.958 122.935 119.914 0.104 0.000 2.572 555 V HA 0.220 4.340 4.120 0.000 0.000 0.291 555 V C 1.331 177.550 176.094 0.207 0.000 1.039 555 V CA -0.031 62.382 62.300 0.188 0.000 1.055 555 V CB 0.833 32.778 31.823 0.202 0.000 0.969 555 V HN 0.943 nan 8.190 nan 0.000 0.482 556 G N 3.461 112.393 108.800 0.220 0.000 2.699 556 G HA2 0.294 4.254 3.960 0.000 0.000 0.246 556 G HA3 0.294 4.254 3.960 0.000 0.000 0.246 556 G C 0.744 175.773 174.900 0.216 0.000 1.219 556 G CA 0.262 45.380 45.100 0.029 0.000 0.866 556 G HN 0.727 nan 8.290 nan 0.000 0.572 557 T N -0.165 114.408 114.554 0.032 0.000 2.978 557 T HA 0.152 4.502 4.350 0.000 0.000 0.248 557 T C 0.653 175.414 174.700 0.101 0.000 1.018 557 T CA 0.267 62.473 62.100 0.177 0.000 1.026 557 T CB 0.148 69.064 68.868 0.081 0.000 1.032 557 T HN 0.587 nan 8.240 nan 0.000 0.485 558 E N 0.603 120.649 120.200 -0.257 0.000 2.227 558 E HA 0.415 4.765 4.350 0.000 0.000 0.282 558 E C -1.313 174.849 176.600 -0.730 0.000 1.015 558 E CA -0.515 55.712 56.400 -0.289 0.000 0.823 558 E CB 1.056 30.617 29.700 -0.231 0.000 1.081 558 E HN 0.288 nan 8.360 nan 0.000 0.396 559 W N 0.795 122.073 121.300 -0.037 0.000 3.038 559 W HA 0.513 5.173 4.660 0.000 0.000 0.347 559 W C -1.295 175.201 176.519 -0.039 0.000 1.219 559 W CA -0.685 56.631 57.345 -0.048 0.000 1.142 559 W CB 1.041 30.460 29.460 -0.067 0.000 1.484 559 W HN 0.122 nan 8.180 nan 0.000 0.586 560 V N 2.193 122.231 119.914 0.207 0.000 2.462 560 V HA 0.327 4.447 4.120 0.000 0.000 0.288 560 V C -0.784 175.405 176.094 0.158 0.000 1.020 560 V CA -0.971 61.411 62.300 0.137 0.000 0.857 560 V CB 0.969 32.834 31.823 0.070 0.000 1.013 560 V HN 0.338 nan 8.190 nan 0.000 0.431 561 V N 3.697 123.722 119.914 0.185 0.000 2.432 561 V HA 0.338 4.458 4.120 0.000 0.000 0.271 561 V C 0.628 176.876 176.094 0.257 0.000 1.046 561 V CA 0.216 62.624 62.300 0.180 0.000 0.945 561 V CB 1.564 33.468 31.823 0.136 0.000 0.992 561 V HN 0.919 nan 8.190 nan 0.000 0.471 562 T N 7.339 122.024 114.554 0.219 0.000 2.874 562 T HA 0.496 4.846 4.350 0.000 0.000 0.321 562 T C 0.299 175.136 174.700 0.229 0.000 1.075 562 T CA -0.147 62.090 62.100 0.228 0.000 0.966 562 T CB 0.540 69.511 68.868 0.172 0.000 1.001 562 T HN 0.344 nan 8.240 nan 0.000 0.476 563 L N 1.551 122.927 121.223 0.256 0.000 2.718 563 L HA 0.379 4.720 4.340 0.000 0.000 0.147 563 L C 1.519 178.488 176.870 0.164 0.000 1.748 563 L CA -0.696 54.262 54.840 0.197 0.000 2.748 563 L CB 0.047 42.240 42.059 0.223 0.000 2.984 563 L HN 0.459 nan 8.230 nan 0.000 0.700 564 Q N 0.475 120.364 119.800 0.149 0.000 2.737 564 Q HA -0.000 4.340 4.340 0.000 0.000 0.224 564 Q C 0.689 176.751 176.000 0.104 0.000 1.325 564 Q CA 0.633 56.501 55.803 0.109 0.000 0.868 564 Q CB -0.797 28.005 28.738 0.105 0.000 1.711 564 Q HN 0.732 nan 8.270 nan 0.000 0.540 565 G N 1.230 110.084 108.800 0.090 0.000 2.200 565 G HA2 -0.336 3.624 3.960 0.000 0.000 0.267 565 G HA3 -0.336 3.624 3.960 0.000 0.000 0.267 565 G C -0.005 174.924 174.900 0.048 0.000 0.993 565 G CA 0.342 45.479 45.100 0.061 0.000 0.701 565 G HN 0.735 nan 8.290 nan 0.000 0.524 566 A N -0.488 122.384 122.820 0.087 0.000 2.355 566 A HA 0.693 5.013 4.320 0.000 0.000 0.317 566 A C -0.629 176.945 177.584 -0.017 0.000 1.094 566 A CA -0.501 51.536 52.037 0.000 0.000 0.764 566 A CB 1.292 20.323 19.000 0.052 0.000 1.230 566 A HN 0.101 nan 8.150 nan 0.000 0.448 567 D N 0.498 120.776 120.400 -0.203 0.000 2.175 567 D HA 0.606 5.247 4.640 0.000 0.000 0.248 567 D C -1.292 174.793 176.300 -0.358 0.000 1.047 567 D CA 0.423 54.352 54.000 -0.118 0.000 0.883 567 D CB 0.960 41.717 40.800 -0.072 0.000 1.180 567 D HN 0.298 nan 8.370 nan 0.000 0.438 568 F N 1.810 121.818 119.950 0.097 0.000 2.691 568 F HA 0.291 4.818 4.527 0.000 0.000 0.371 568 F C -2.191 173.655 175.800 0.077 0.000 1.159 568 F CA -1.963 56.120 58.000 0.137 0.000 1.174 568 F CB 1.753 40.880 39.000 0.212 0.000 1.419 568 F HN -0.059 nan 8.300 nan 0.000 0.514 569 P HA 0.071 nan 4.420 nan 0.000 0.262 569 P C -0.532 176.816 177.300 0.081 0.000 1.199 569 P CA 0.383 63.541 63.100 0.095 0.000 0.763 569 P CB 1.222 32.958 31.700 0.059 0.000 0.790 570 V N 4.000 123.937 119.914 0.038 0.000 3.078 570 V HA 0.542 4.662 4.120 0.000 0.000 0.311 570 V C -0.371 175.728 176.094 0.008 0.000 1.138 570 V CA -0.316 61.942 62.300 -0.070 0.000 1.007 570 V CB 2.971 34.640 31.823 -0.257 0.000 1.045 570 V HN 0.328 nan 8.190 nan 0.000 0.432 571 T N 4.612 119.152 114.554 -0.023 0.000 2.841 571 T HA 0.654 5.004 4.350 0.000 0.000 0.283 571 T C -0.768 173.962 174.700 0.049 0.000 1.000 571 T CA -0.183 61.947 62.100 0.048 0.000 0.977 571 T CB 0.952 69.841 68.868 0.035 0.000 0.979 571 T HN 0.418 nan 8.240 nan 0.000 0.446 572 I N 2.448 123.092 120.570 0.123 0.000 2.460 572 I HA 0.770 4.940 4.170 0.000 0.000 0.298 572 I C -0.079 176.083 176.117 0.075 0.000 0.989 572 I CA -1.056 60.297 61.300 0.087 0.000 1.173 572 I CB 1.760 39.823 38.000 0.106 0.000 1.338 572 I HN 0.658 nan 8.210 nan 0.000 0.456 573 A N 4.604 127.449 122.820 0.042 0.000 2.429 573 A HA 0.865 5.185 4.320 0.000 0.000 0.289 573 A C -1.059 176.534 177.584 0.015 0.000 1.043 573 A CA -0.405 51.651 52.037 0.032 0.000 0.722 573 A CB 1.488 20.505 19.000 0.029 0.000 1.243 573 A HN 0.848 nan 8.150 nan 0.000 0.415 574 A N 1.930 124.750 122.820 -0.000 0.000 2.498 574 A HA 0.825 5.145 4.320 0.000 0.000 0.298 574 A C -0.352 177.193 177.584 -0.065 0.000 1.075 574 A CA -0.167 51.857 52.037 -0.022 0.000 0.714 574 A CB 1.699 20.686 19.000 -0.021 0.000 1.299 574 A HN 0.737 nan 8.150 nan 0.000 0.407 575 D N -1.543 118.806 120.400 -0.084 0.000 3.361 575 D HA 0.274 4.914 4.640 0.000 0.000 0.202 575 D C 0.791 176.885 176.300 -0.343 0.000 1.208 575 D CA 0.365 54.250 54.000 -0.192 0.000 1.397 575 D CB 0.439 41.207 40.800 -0.054 0.000 0.948 575 D HN 0.528 nan 8.370 nan 0.000 0.167 576 H N -0.879 118.201 119.070 0.016 0.000 2.800 576 H HA 0.211 4.767 4.556 0.000 0.000 0.257 576 H C 0.705 176.042 175.328 0.014 0.000 0.967 576 H CA 0.443 56.499 56.048 0.014 0.000 1.192 576 H CB 0.547 30.316 29.762 0.010 0.000 1.441 576 H HN 0.172 nan 8.280 nan 0.000 0.461 577 D N 0.643 121.120 120.400 0.127 0.000 2.077 577 D HA 0.010 4.650 4.640 0.000 0.000 0.196 577 D C 1.561 177.892 176.300 0.051 0.000 0.986 577 D CA 1.658 55.704 54.000 0.077 0.000 0.829 577 D CB 0.242 41.078 40.800 0.061 0.000 0.983 577 D HN 0.405 nan 8.370 nan 0.000 0.453 578 G N -1.596 107.226 108.800 0.036 0.000 2.894 578 G HA2 0.488 4.448 3.960 0.000 0.000 0.164 578 G HA3 0.488 4.448 3.960 0.000 0.000 0.164 578 G C -1.300 173.608 174.900 0.014 0.000 1.180 578 G CA -0.022 45.094 45.100 0.027 0.000 0.997 578 G HN 0.157 nan 8.290 nan 0.000 0.572 579 S N -1.349 114.359 115.700 0.013 0.000 2.546 579 S HA 0.672 5.142 4.470 0.000 0.000 0.274 579 S C -1.346 173.262 174.600 0.012 0.000 1.121 579 S CA -0.324 57.880 58.200 0.007 0.000 0.887 579 S CB 1.838 65.037 63.200 -0.001 0.000 1.094 579 S HN 0.657 nan 8.310 nan 0.000 0.474 580 T N 3.273 117.836 114.554 0.015 0.000 2.821 580 T HA 0.435 4.785 4.350 0.000 0.000 0.307 580 T C -0.576 174.134 174.700 0.017 0.000 1.034 580 T CA -0.371 61.744 62.100 0.025 0.000 0.953 580 T CB 0.752 69.640 68.868 0.033 0.000 0.968 580 T HN 0.446 nan 8.240 nan 0.000 0.462 581 V N 3.712 123.629 119.914 0.005 0.000 2.465 581 V HA 0.487 4.607 4.120 0.000 0.000 0.279 581 V C 0.251 176.328 176.094 -0.029 0.000 1.045 581 V CA -0.596 61.663 62.300 -0.068 0.000 0.938 581 V CB 1.361 33.079 31.823 -0.175 0.000 0.986 581 V HN 0.940 nan 8.190 nan 0.000 0.467 582 S N 4.734 120.394 115.700 -0.067 0.000 2.502 582 S HA 0.784 5.254 4.470 0.000 0.000 0.304 582 S C -0.807 173.803 174.600 0.016 0.000 1.097 582 S CA -0.518 57.728 58.200 0.077 0.000 1.045 582 S CB 1.169 64.416 63.200 0.080 0.000 1.019 582 S HN 0.373 nan 8.310 nan 0.000 0.481 583 F N 1.141 121.137 119.950 0.077 0.000 2.410 583 F HA 0.412 4.939 4.527 0.000 0.000 0.324 583 F C 1.183 177.030 175.800 0.078 0.000 1.093 583 F CA -1.236 56.825 58.000 0.102 0.000 1.028 583 F CB 0.317 39.398 39.000 0.134 0.000 1.309 583 F HN 0.429 nan 8.300 nan 0.000 0.499 587 G N 0.907 109.769 108.800 0.103 0.000 2.225 587 G HA2 -0.279 3.681 3.960 0.000 0.000 0.254 587 G HA3 -0.279 3.681 3.960 0.000 0.000 0.254 587 G C 0.450 175.411 174.900 0.102 0.000 0.988 587 G CA 0.682 45.835 45.100 0.088 0.000 0.625 587 G HN 1.268 nan 8.290 nan 0.000 0.527 588 S N -0.228 115.539 115.700 0.111 0.000 2.585 588 S HA 0.698 5.168 4.470 0.000 0.000 0.273 588 S C 0.041 174.772 174.600 0.219 0.000 1.339 588 S CA 0.714 58.973 58.200 0.097 0.000 1.028 588 S CB 1.911 65.105 63.200 -0.011 0.000 0.906 588 S HN 1.080 nan 8.310 nan 0.000 0.528 589 S N 2.057 117.862 115.700 0.176 0.000 2.572 589 S HA 0.489 4.959 4.470 0.000 0.000 0.274 589 S C -0.675 174.032 174.600 0.179 0.000 1.150 589 S CA -0.775 57.561 58.200 0.227 0.000 0.944 589 S CB 1.209 64.492 63.200 0.139 0.000 1.071 589 S HN 0.780 nan 8.310 nan 0.000 0.479 590 M N 2.142 121.886 119.600 0.240 0.000 2.537 590 M HA 0.567 5.047 4.480 0.000 0.000 0.324 590 M C -0.263 176.097 176.300 0.099 0.000 1.187 590 M CA -0.797 54.599 55.300 0.159 0.000 0.993 590 M CB 1.530 34.257 32.600 0.212 0.000 1.666 590 M HN 0.463 nan 8.290 nan 0.000 0.461 591 R N 1.600 122.138 120.500 0.062 0.000 2.310 591 R HA 0.555 4.895 4.340 0.000 0.000 0.324 591 R C -1.923 174.395 176.300 0.028 0.000 0.955 591 R CA -0.405 55.720 56.100 0.041 0.000 0.830 591 R CB 0.744 31.064 30.300 0.034 0.000 1.154 591 R HN 0.540 nan 8.270 nan 0.000 0.458 592 V N 3.691 123.617 119.914 0.020 0.000 2.427 592 V HA 0.544 4.664 4.120 0.000 0.000 0.286 592 V C 0.050 176.152 176.094 0.012 0.000 1.034 592 V CA -0.559 61.745 62.300 0.007 0.000 0.893 592 V CB 1.701 33.519 31.823 -0.009 0.000 0.982 592 V HN 0.795 nan 8.190 nan 0.000 0.452 593 T N 3.252 117.813 114.554 0.013 0.000 2.886 593 T HA 0.676 5.026 4.350 0.000 0.000 0.292 593 T C -0.744 173.973 174.700 0.029 0.000 1.012 593 T CA -0.280 61.833 62.100 0.023 0.000 0.982 593 T CB 1.599 70.479 68.868 0.021 0.000 1.018 593 T HN 0.825 nan 8.240 nan 0.000 0.451 594 S N 1.457 117.187 115.700 0.049 0.000 2.552 594 S HA 0.344 4.814 4.470 0.000 0.000 0.272 594 S C -0.132 174.523 174.600 0.090 0.000 1.150 594 S CA -0.506 57.739 58.200 0.075 0.000 0.849 594 S CB 1.926 65.187 63.200 0.102 0.000 1.113 594 S HN 0.718 nan 8.310 nan 0.000 0.458 595 D N 1.296 121.753 120.400 0.096 0.000 2.240 595 D HA 0.048 4.688 4.640 0.000 0.000 0.206 595 D C 0.569 176.916 176.300 0.079 0.000 0.963 595 D CA 0.094 54.134 54.000 0.066 0.000 0.863 595 D CB -0.020 40.809 40.800 0.049 0.000 0.973 595 D HN 0.555 nan 8.370 nan 0.000 0.501 596 W N 1.874 123.152 121.300 -0.036 0.000 2.582 596 W HA 0.062 4.722 4.660 0.000 0.000 0.336 596 W C -0.400 176.099 176.519 -0.032 0.000 1.152 596 W CA 0.991 58.310 57.345 -0.043 0.000 1.347 596 W CB 0.274 29.695 29.460 -0.065 0.000 1.173 596 W HN -0.078 nan 8.180 nan 0.000 0.575 597 T N 6.211 119.907 114.554 -1.431 0.000 2.942 597 T HA 0.335 4.685 4.350 0.000 0.000 0.327 597 T C -2.638 171.122 174.700 -1.567 0.000 1.360 597 T CA -1.174 60.248 62.100 -1.131 0.000 1.055 597 T CB 1.552 70.113 68.868 -0.512 0.000 1.261 597 T HN 0.144 nan 8.240 nan 0.000 0.485 598 P HA 0.210 nan 4.420 nan 0.000 0.264 598 P C 0.936 177.983 177.300 -0.422 0.000 1.173 598 P CA 1.921 64.782 63.100 -0.398 0.000 0.761 598 P CB 0.217 31.854 31.700 -0.104 0.000 0.794 599 G N 1.909 110.585 108.800 -0.207 0.000 2.268 599 G HA2 -0.207 3.753 3.960 0.000 0.000 0.240 599 G HA3 -0.207 3.753 3.960 0.000 0.000 0.240 599 G C -0.202 174.631 174.900 -0.111 0.000 1.010 599 G CA -0.172 44.864 45.100 -0.107 0.000 0.618 599 G HN 0.537 nan 8.290 nan 0.000 0.516 600 D N 1.082 121.258 120.400 -0.372 0.000 2.425 600 D HA 0.426 5.066 4.640 0.000 0.000 0.247 600 D C 1.589 178.070 176.300 0.302 0.000 1.147 600 D CA 0.161 54.097 54.000 -0.107 0.000 0.879 600 D CB 0.805 41.454 40.800 -0.252 0.000 1.179 600 D HN 0.553 nan 8.370 nan 0.000 0.456 601 Q N 0.703 120.619 119.800 0.193 0.000 2.378 601 Q HA 0.068 4.408 4.340 0.000 0.000 0.205 601 Q C 0.072 176.178 176.000 0.177 0.000 0.954 601 Q CA 0.388 56.305 55.803 0.191 0.000 0.901 601 Q CB 0.332 29.135 28.738 0.108 0.000 0.981 601 Q HN 0.305 nan 8.270 nan 0.000 0.483 602 L N -0.060 121.281 121.223 0.196 0.000 2.362 602 L HA 0.637 4.977 4.340 0.000 0.000 0.275 602 L C -1.619 175.365 176.870 0.189 0.000 0.998 602 L CA -0.710 54.201 54.840 0.119 0.000 0.820 602 L CB 1.855 43.951 42.059 0.063 0.000 1.270 602 L HN -0.126 nan 8.230 nan 0.000 0.415 603 A N 3.854 126.702 122.820 0.047 0.000 2.304 603 A HA 0.665 4.985 4.320 0.000 0.000 0.314 603 A C -1.024 176.559 177.584 -0.001 0.000 1.187 603 A CA -0.686 51.387 52.037 0.059 0.000 0.810 603 A CB 0.361 19.194 19.000 -0.278 0.000 1.183 603 A HN 0.679 nan 8.150 nan 0.000 0.487 604 N N 2.755 121.485 118.700 0.051 0.000 2.500 604 N HA 0.472 5.212 4.740 0.000 0.000 0.236 604 N C -0.914 174.605 175.510 0.016 0.000 1.022 604 N CA 0.030 53.091 53.050 0.017 0.000 0.935 604 N CB 1.104 39.605 38.487 0.024 0.000 1.147 604 N HN 0.513 nan 8.380 nan 0.000 0.512 605 L N 1.064 122.277 121.223 -0.018 0.000 2.331 605 L HA 0.634 4.974 4.340 0.000 0.000 0.268 605 L C 0.103 176.964 176.870 -0.015 0.000 1.015 605 L CA -0.770 54.058 54.840 -0.019 0.000 0.807 605 L CB 0.947 42.970 42.059 -0.059 0.000 1.293 605 L HN 0.260 nan 8.230 nan 0.000 0.451 606 M N 1.312 120.907 119.600 -0.008 0.000 2.007 606 M HA 0.456 4.936 4.480 0.000 0.000 0.285 606 M C -1.688 174.610 176.300 -0.003 0.000 0.893 606 M CA -0.220 55.078 55.300 -0.004 0.000 0.925 606 M CB 1.252 33.855 32.600 0.004 0.000 1.568 606 M HN 0.148 nan 8.290 nan 0.000 0.414 607 V N 4.602 124.511 119.914 -0.008 0.000 2.347 607 V HA 0.400 4.520 4.120 0.000 0.000 0.280 607 V C -0.156 175.941 176.094 0.005 0.000 1.021 607 V CA -0.524 61.776 62.300 0.001 0.000 0.847 607 V CB 1.415 33.235 31.823 -0.005 0.000 0.990 607 V HN 0.841 nan 8.190 nan 0.000 0.444 608 D N 4.633 125.042 120.400 0.014 0.000 2.705 608 D HA -0.178 4.462 4.640 0.000 0.000 0.240 608 D C 1.414 177.717 176.300 0.005 0.000 1.137 608 D CA 1.514 55.521 54.000 0.012 0.000 0.677 608 D CB -1.016 39.789 40.800 0.008 0.000 1.049 608 D HN 1.282 nan 8.370 nan 0.000 0.427 609 G N -0.885 107.918 108.800 0.006 0.000 2.284 609 G HA2 -0.242 3.718 3.960 0.000 0.000 0.268 609 G HA3 -0.242 3.718 3.960 0.000 0.000 0.268 609 G C 0.524 175.423 174.900 -0.002 0.000 0.980 609 G CA 1.072 46.174 45.100 0.002 0.000 0.631 609 G HN 1.333 nan 8.290 nan 0.000 0.548 610 A N 0.727 123.544 122.820 -0.005 0.000 2.274 610 A HA 0.743 5.063 4.320 0.000 0.000 0.309 610 A C -1.965 175.612 177.584 -0.012 0.000 1.226 610 A CA -1.388 50.643 52.037 -0.010 0.000 0.853 610 A CB 1.064 20.057 19.000 -0.013 0.000 1.146 610 A HN 0.125 nan 8.150 nan 0.000 0.518 611 P HA 0.201 nan 4.420 nan 0.000 0.265 611 P C -0.870 176.419 177.300 -0.020 0.000 1.193 611 P CA 0.239 63.331 63.100 -0.014 0.000 0.765 611 P CB 0.420 32.113 31.700 -0.011 0.000 0.823 612 L N 5.349 126.556 121.223 -0.027 0.000 2.518 612 L HA 0.357 4.697 4.340 0.000 0.000 0.262 612 L C -1.423 175.418 176.870 -0.048 0.000 0.982 612 L CA -0.447 54.370 54.840 -0.038 0.000 0.873 612 L CB 1.451 43.480 42.059 -0.050 0.000 1.198 612 L HN -0.001 nan 8.230 nan 0.000 0.427 613 V N 6.358 126.249 119.914 -0.038 0.000 2.350 613 V HA 0.504 4.624 4.120 0.000 0.000 0.276 613 V C 0.149 176.210 176.094 -0.056 0.000 1.028 613 V CA -0.288 61.988 62.300 -0.041 0.000 0.860 613 V CB 1.363 33.175 31.823 -0.019 0.000 0.990 613 V HN 0.635 nan 8.190 nan 0.000 0.453 614 L N 4.988 126.154 121.223 -0.095 0.000 2.330 614 L HA 0.628 4.968 4.340 0.000 0.000 0.271 614 L C -0.007 176.793 176.870 -0.117 0.000 1.013 614 L CA -0.802 53.961 54.840 -0.129 0.000 0.816 614 L CB 1.927 43.846 42.059 -0.233 0.000 1.287 614 L HN 0.427 nan 8.230 nan 0.000 0.435 615 K N 1.706 122.050 120.400 -0.092 0.000 2.293 615 K HA 0.565 4.885 4.320 0.000 0.000 0.267 615 K C -1.197 175.339 176.600 -0.106 0.000 1.010 615 K CA -0.530 55.727 56.287 -0.050 0.000 0.875 615 K CB 1.952 34.459 32.500 0.011 0.000 1.106 615 K HN 0.257 nan 8.250 nan 0.000 0.450 616 V N 1.308 121.153 119.914 -0.115 0.000 2.630 616 V HA 0.710 4.830 4.120 0.000 0.000 0.305 616 V C 0.439 176.555 176.094 0.036 0.000 1.046 616 V CA -0.897 61.305 62.300 -0.163 0.000 0.934 616 V CB 1.805 33.344 31.823 -0.473 0.000 1.003 616 V HN 0.923 nan 8.190 nan 0.000 0.451 617 G N 1.863 110.716 108.800 0.089 0.000 2.659 617 G HA2 0.602 4.562 3.960 0.000 0.000 0.296 617 G HA3 0.602 4.562 3.960 0.000 0.000 0.296 617 G C -1.303 173.731 174.900 0.223 0.000 1.369 617 G CA -0.867 44.319 45.100 0.144 0.000 0.937 617 G HN 0.593 nan 8.290 nan 0.000 0.485 618 K N -0.053 120.460 120.400 0.188 0.000 2.154 618 K HA 0.691 5.011 4.320 0.000 0.000 0.264 618 K C -0.410 176.235 176.600 0.076 0.000 1.008 618 K CA -0.067 56.312 56.287 0.153 0.000 0.937 618 K CB 1.128 33.697 32.500 0.115 0.000 1.002 618 K HN 0.364 nan 8.250 nan 0.000 0.469 619 I N -0.040 120.540 120.570 0.017 0.000 3.004 619 I HA 0.055 4.225 4.170 0.000 0.000 0.305 619 I C 0.014 176.123 176.117 -0.012 0.000 1.312 619 I CA -0.741 60.554 61.300 -0.007 0.000 0.992 619 I CB 2.184 40.148 38.000 -0.061 0.000 1.282 619 I HN 0.600 nan 8.210 nan 0.000 0.449 624 G N -0.225 108.475 108.800 -0.167 0.000 2.564 624 G HA2 0.525 4.485 3.960 0.000 0.000 0.139 624 G HA3 0.525 4.485 3.960 0.000 0.000 0.139 624 G C -1.214 173.348 174.900 -0.563 0.000 1.147 624 G CA 0.144 44.955 45.100 -0.481 0.000 1.031 624 G HN 0.765 nan 8.290 nan 0.000 0.482 625 F N -0.590 119.313 119.950 -0.077 0.000 2.675 625 F HA 0.836 5.363 4.527 0.000 0.000 0.324 625 F C 0.114 175.842 175.800 -0.119 0.000 1.106 625 F CA -1.370 56.582 58.000 -0.080 0.000 0.970 625 F CB 1.484 40.437 39.000 -0.077 0.000 1.385 625 F HN 0.524 nan 8.300 nan 0.000 0.489 626 R N 1.579 122.174 120.500 0.159 0.000 2.215 626 R HA 0.661 5.001 4.340 0.000 0.000 0.336 626 R C -1.757 174.550 176.300 0.012 0.000 0.996 626 R CA -0.334 55.793 56.100 0.045 0.000 0.847 626 R CB 0.248 30.566 30.300 0.029 0.000 1.127 626 R HN 0.635 nan 8.270 nan 0.000 0.465 627 I N 3.631 124.188 120.570 -0.020 0.000 2.498 627 I HA 0.418 4.588 4.170 0.000 0.000 0.301 627 I C -0.078 176.018 176.117 -0.035 0.000 0.984 627 I CA -0.612 60.641 61.300 -0.079 0.000 1.204 627 I CB 1.818 39.746 38.000 -0.120 0.000 1.362 627 I HN 0.528 nan 8.210 nan 0.000 0.471 628 R N 3.147 123.627 120.500 -0.033 0.000 2.500 628 R HA 0.581 4.921 4.340 0.000 0.000 0.299 628 R C -0.224 176.081 176.300 0.008 0.000 1.038 628 R CA -0.282 55.827 56.100 0.015 0.000 0.903 628 R CB 1.729 32.058 30.300 0.048 0.000 1.177 628 R HN 0.734 nan 8.270 nan 0.000 0.455 629 T N 0.994 115.560 114.554 0.021 0.000 3.507 629 T HA 0.232 4.582 4.350 0.000 0.000 0.197 629 T C 0.849 175.575 174.700 0.043 0.000 0.847 629 T CA -0.153 61.955 62.100 0.014 0.000 1.531 629 T CB -0.014 68.853 68.868 -0.001 0.000 1.834 629 T HN 0.212 nan 8.240 nan 0.000 0.433 630 R N 0.817 121.350 120.500 0.056 0.000 0.725 630 R HA 0.484 4.824 4.340 0.000 0.000 0.054 630 R C 2.324 178.697 176.300 0.121 0.000 0.611 630 R CA 0.673 56.816 56.100 0.072 0.000 2.152 630 R CB -1.085 29.258 30.300 0.071 0.000 0.594 630 R HN 0.472 nan 8.270 nan 0.000 0.790 631 G N 0.215 109.116 108.800 0.169 0.000 2.708 631 G HA2 0.043 4.003 3.960 0.000 0.000 0.210 631 G HA3 0.043 4.003 3.960 0.000 0.000 0.210 631 G C 0.251 175.322 174.900 0.285 0.000 1.141 631 G CA 0.488 45.771 45.100 0.305 0.000 0.788 631 G HN 0.595 nan 8.290 nan 0.000 0.531 632 A N 0.166 123.091 122.820 0.174 0.000 2.507 632 A HA 0.443 4.763 4.320 0.000 0.000 0.235 632 A C 0.199 177.851 177.584 0.113 0.000 1.070 632 A CA 0.379 52.489 52.037 0.122 0.000 0.768 632 A CB 0.351 19.395 19.000 0.075 0.000 1.011 632 A HN 0.251 nan 8.150 nan 0.000 0.502 633 D N 0.500 120.944 120.400 0.073 0.000 2.329 633 D HA 0.308 4.948 4.640 0.000 0.000 0.217 633 D C -1.278 175.027 176.300 0.007 0.000 1.317 633 D CA -0.204 53.822 54.000 0.043 0.000 0.928 633 D CB -0.373 40.459 40.800 0.053 0.000 1.544 633 D HN 0.767 nan 8.370 nan 0.000 0.499 634 L N -0.673 120.553 121.223 0.005 0.000 2.466 634 L HA 0.667 5.007 4.340 0.000 0.000 0.258 634 L C -0.543 176.321 176.870 -0.010 0.000 0.973 634 L CA -1.119 53.721 54.840 0.000 0.000 0.826 634 L CB 1.989 44.060 42.059 0.020 0.000 1.372 634 L HN -0.145 nan 8.230 nan 0.000 0.409 635 K N 1.901 122.285 120.400 -0.027 0.000 2.383 635 K HA 0.373 4.693 4.320 0.000 0.000 0.286 635 K C -0.799 175.739 176.600 -0.102 0.000 1.051 635 K CA -0.394 55.833 56.287 -0.100 0.000 0.974 635 K CB 1.465 33.873 32.500 -0.153 0.000 0.968 635 K HN 0.412 nan 8.250 nan 0.000 0.475 636 V N 5.141 125.003 119.914 -0.088 0.000 2.311 636 V HA 0.064 4.184 4.120 0.000 0.000 0.275 636 V C -0.015 176.035 176.094 -0.073 0.000 1.022 636 V CA -0.792 61.507 62.300 -0.001 0.000 0.830 636 V CB 0.323 32.201 31.823 0.091 0.000 1.012 636 V HN 0.676 nan 8.190 nan 0.000 0.452 637 H N 3.572 122.667 119.070 0.042 0.000 2.668 637 H HA 0.346 4.902 4.556 0.000 0.000 0.303 637 H C -0.507 174.793 175.328 -0.046 0.000 1.074 637 H CA -0.168 55.873 56.048 -0.011 0.000 1.406 637 H CB 1.980 31.744 29.762 0.004 0.000 1.442 637 H HN 0.392 nan 8.280 nan 0.000 0.482 638 V N 6.563 126.432 119.914 -0.074 0.000 2.259 638 V HA 0.274 4.394 4.120 0.000 0.000 0.267 638 V C 0.603 176.572 176.094 -0.208 0.000 1.051 638 V CA -0.380 61.782 62.300 -0.229 0.000 0.830 638 V CB 0.290 31.763 31.823 -0.585 0.000 1.080 638 V HN 0.642 nan 8.190 nan 0.000 0.467 639 R N 1.674 122.217 120.500 0.071 0.000 2.893 639 R HA 0.739 5.079 4.340 0.000 0.000 0.245 639 R C 0.374 176.808 176.300 0.223 0.000 1.192 639 R CA -0.584 55.608 56.100 0.152 0.000 1.077 639 R CB 1.671 32.009 30.300 0.062 0.000 1.253 639 R HN 0.679 nan 8.270 nan 0.000 0.505 640 T N -1.961 112.603 114.554 0.017 0.000 2.902 640 T HA 0.266 4.616 4.350 0.000 0.000 0.280 640 T C -1.786 172.820 174.700 -0.158 0.000 0.992 640 T CA -1.837 60.095 62.100 -0.280 0.000 1.015 640 T CB 1.423 70.055 68.868 -0.395 0.000 1.044 640 T HN 0.275 nan 8.240 nan 0.000 0.520 641 P HA -0.196 nan 4.420 nan 0.000 0.216 641 P C 1.442 178.690 177.300 -0.087 0.000 1.154 641 P CA 1.262 64.292 63.100 -0.116 0.000 0.865 641 P CB 0.126 31.749 31.700 -0.128 0.000 0.789 642 R N -0.215 120.228 120.500 -0.096 0.000 2.119 642 R HA -0.075 4.265 4.340 0.000 0.000 0.222 642 R C 2.579 178.847 176.300 -0.053 0.000 1.088 642 R CA 1.023 57.083 56.100 -0.067 0.000 0.984 642 R CB -0.299 29.963 30.300 -0.064 0.000 0.884 642 R HN 0.138 nan 8.270 nan 0.000 0.447 643 Q N -0.191 119.576 119.800 -0.055 0.000 2.030 643 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 643 Q C 2.059 178.038 176.000 -0.036 0.000 0.986 643 Q CA 2.213 57.997 55.803 -0.032 0.000 0.843 643 Q CB -0.148 28.584 28.738 -0.011 0.000 0.904 643 Q HN 0.424 nan 8.270 nan 0.000 0.420 644 A N 0.732 123.531 122.820 -0.036 0.000 1.902 644 A HA -0.281 4.039 4.320 0.000 0.000 0.217 644 A C 1.903 179.463 177.584 -0.041 0.000 1.181 644 A CA 1.769 53.784 52.037 -0.036 0.000 0.623 644 A CB -0.710 18.278 19.000 -0.020 0.000 0.818 644 A HN 0.539 nan 8.150 nan 0.000 0.443 645 E N -0.057 120.119 120.200 -0.041 0.000 2.058 645 E HA -0.205 4.145 4.350 0.000 0.000 0.194 645 E C 1.938 178.516 176.600 -0.036 0.000 0.997 645 E CA 1.485 57.862 56.400 -0.038 0.000 0.801 645 E CB -0.241 29.435 29.700 -0.039 0.000 0.746 645 E HN 0.627 nan 8.360 nan 0.000 0.450 646 L N 0.262 121.463 121.223 -0.037 0.000 2.072 646 L HA -0.070 4.270 4.340 0.000 0.000 0.205 646 L C 2.740 179.587 176.870 -0.039 0.000 1.079 646 L CA 0.820 55.640 54.840 -0.033 0.000 0.752 646 L CB -0.571 41.470 42.059 -0.029 0.000 0.906 646 L HN 0.232 nan 8.230 nan 0.000 0.436 647 A N -0.036 122.755 122.820 -0.049 0.000 2.084 647 A HA -0.254 4.066 4.320 0.000 0.000 0.221 647 A C 2.361 179.907 177.584 -0.064 0.000 1.161 647 A CA 1.578 53.575 52.037 -0.067 0.000 0.653 647 A CB -0.639 18.301 19.000 -0.099 0.000 0.802 647 A HN 0.332 nan 8.150 nan 0.000 0.457 648 R N -0.881 119.588 120.500 -0.052 0.000 2.235 648 R HA 0.136 4.476 4.340 0.000 0.000 0.213 648 R C 1.206 177.485 176.300 -0.035 0.000 1.059 648 R CA 0.584 56.657 56.100 -0.043 0.000 0.997 648 R CB -0.187 30.091 30.300 -0.037 0.000 0.884 648 R HN 0.567 nan 8.270 nan 0.000 0.462 649 L N 0.233 121.436 121.223 -0.033 0.000 2.567 649 L HA 0.144 4.484 4.340 0.000 0.000 0.225 649 L C 0.244 177.099 176.870 -0.025 0.000 1.119 649 L CA -0.242 54.583 54.840 -0.026 0.000 0.871 649 L CB 0.063 42.108 42.059 -0.023 0.000 1.036 649 L HN 0.088 nan 8.230 nan 0.000 0.459 650 M N 1.194 120.776 119.600 -0.031 0.000 2.219 650 M HA 0.246 4.726 4.480 0.000 0.000 0.353 650 M C -1.947 174.338 176.300 -0.025 0.000 1.304 650 M CA -1.903 53.380 55.300 -0.029 0.000 1.115 650 M CB -0.443 32.134 32.600 -0.038 0.000 1.664 650 M HN -0.235 nan 8.290 nan 0.000 0.459 651 P HA 0.046 nan 4.420 nan 0.000 0.267 651 P C -0.321 176.970 177.300 -0.014 0.000 1.200 651 P CA -0.116 62.975 63.100 -0.014 0.000 0.772 651 P CB 0.508 32.201 31.700 -0.011 0.000 0.855 652 E N 2.985 123.178 120.200 -0.012 0.000 2.152 652 E HA 0.031 4.381 4.350 0.000 0.000 0.285 652 E C 0.042 176.638 176.600 -0.006 0.000 1.043 652 E CA -0.778 55.617 56.400 -0.009 0.000 0.839 652 E CB 0.550 30.246 29.700 -0.008 0.000 1.069 652 E HN 0.258 nan 8.360 nan 0.000 0.399 653 K N 4.866 125.264 120.400 -0.004 0.000 2.472 653 K HA 0.029 4.349 4.320 0.000 0.000 0.280 653 K C -0.583 176.015 176.600 -0.003 0.000 1.028 653 K CA 0.241 56.526 56.287 -0.002 0.000 1.045 653 K CB 0.240 32.741 32.500 0.001 0.000 0.902 653 K HN 0.448 nan 8.250 nan 0.000 0.478 654 L N 5.593 126.813 121.223 -0.005 0.000 2.294 654 L HA 0.278 4.618 4.340 0.000 0.000 0.283 654 L C -1.492 175.373 176.870 -0.007 0.000 1.015 654 L CA -2.123 52.713 54.840 -0.006 0.000 0.831 654 L CB 1.552 43.607 42.059 -0.006 0.000 1.217 654 L HN 0.705 nan 8.230 nan 0.000 0.420 655 P HA 0.023 nan 4.420 nan 0.000 0.272 655 P C -2.494 174.799 177.300 -0.011 0.000 1.210 655 P CA -0.626 62.467 63.100 -0.012 0.000 0.789 655 P CB -0.477 31.213 31.700 -0.016 0.000 0.849 656 P HA 0.198 nan 4.420 nan 0.000 0.279 656 P C -0.538 176.753 177.300 -0.014 0.000 1.282 656 P CA -0.169 62.924 63.100 -0.011 0.000 0.788 656 P CB 0.718 32.412 31.700 -0.011 0.000 1.139 657 D N -0.602 119.791 120.400 -0.012 0.000 2.277 657 D HA 0.357 4.997 4.640 0.000 0.000 0.250 657 D C -0.235 176.054 176.300 -0.019 0.000 1.032 657 D CA 0.194 54.186 54.000 -0.014 0.000 0.947 657 D CB 1.101 41.897 40.800 -0.008 0.000 1.159 657 D HN 0.218 nan 8.370 nan 0.000 0.460 658 T N 0.230 114.770 114.554 -0.024 0.000 2.841 658 T HA 0.358 4.708 4.350 0.000 0.000 0.283 658 T C 0.097 174.783 174.700 -0.023 0.000 1.000 658 T CA -0.747 61.332 62.100 -0.035 0.000 0.977 658 T CB 1.304 70.134 68.868 -0.063 0.000 0.979 658 T HN 0.375 nan 8.240 nan 0.000 0.446 659 S N 2.296 117.987 115.700 -0.014 0.000 2.601 659 S HA 0.372 4.842 4.470 0.000 0.000 0.271 659 S C 0.544 175.155 174.600 0.018 0.000 1.305 659 S CA -0.720 57.486 58.200 0.011 0.000 1.022 659 S CB 0.952 64.166 63.200 0.024 0.000 0.940 659 S HN 0.652 nan 8.310 nan 0.000 0.525 660 K N 0.414 120.852 120.400 0.064 0.000 2.469 660 K HA 0.262 4.582 4.320 0.000 0.000 0.201 660 K C -0.542 176.223 176.600 0.275 0.000 1.028 660 K CA 0.084 56.459 56.287 0.146 0.000 1.170 660 K CB -0.105 32.487 32.500 0.154 0.000 0.874 660 K HN 0.527 nan 8.250 nan 0.000 0.507 661 M N 1.601 121.307 119.600 0.176 0.000 2.125 661 M HA 0.202 4.682 4.480 0.000 0.000 0.321 661 M C -1.280 175.116 176.300 0.161 0.000 0.983 661 M CA -0.949 54.454 55.300 0.172 0.000 0.934 661 M CB 1.422 34.077 32.600 0.091 0.000 1.542 661 M HN -0.100 nan 8.290 nan 0.000 0.424 662 L N 6.544 127.899 121.223 0.220 0.000 2.385 662 L HA 0.443 4.783 4.340 0.000 0.000 0.285 662 L C -1.273 175.655 176.870 0.096 0.000 1.125 662 L CA 0.305 55.246 54.840 0.169 0.000 0.890 662 L CB -0.300 41.908 42.059 0.248 0.000 1.251 662 L HN 0.637 nan 8.230 nan 0.000 0.445 663 L N 4.222 125.485 121.223 0.066 0.000 2.418 663 L HA 0.279 4.619 4.340 0.000 0.000 0.265 663 L C 0.345 177.239 176.870 0.040 0.000 1.143 663 L CA -0.599 54.268 54.840 0.046 0.000 0.809 663 L CB 0.980 43.060 42.059 0.035 0.000 1.124 663 L HN 0.635 nan 8.230 nan 0.000 0.456 664 C N 4.940 124.259 119.300 0.032 0.000 2.349 664 C HA 0.325 4.785 4.460 0.000 0.000 0.348 664 C C -0.662 174.342 174.990 0.023 0.000 1.223 664 C CA -1.246 57.789 59.018 0.028 0.000 1.746 664 C CB -0.024 27.730 27.740 0.024 0.000 2.360 664 C HN 0.651 nan 8.230 nan 0.000 0.533 665 P HA 0.049 nan 4.420 nan 0.000 0.235 665 P C 0.096 177.406 177.300 0.017 0.000 1.177 665 P CA 0.829 63.940 63.100 0.019 0.000 0.785 665 P CB 0.047 31.758 31.700 0.019 0.000 0.885 666 M N -1.521 118.089 119.600 0.018 0.000 2.259 666 M HA 0.585 5.066 4.480 0.000 0.000 0.304 666 M C -3.143 173.166 176.300 0.015 0.000 1.019 666 M CA -2.733 52.576 55.300 0.016 0.000 0.922 666 M CB 2.093 34.703 32.600 0.016 0.000 1.600 666 M HN -0.394 nan 8.290 nan 0.000 0.433 667 P HA 0.219 nan 4.420 nan 0.000 0.258 667 P C -0.143 177.165 177.300 0.013 0.000 1.563 667 P CA 0.500 63.608 63.100 0.012 0.000 1.241 667 P CB -0.056 31.651 31.700 0.011 0.000 1.811 668 G N 1.672 110.480 108.800 0.014 0.000 3.257 668 G HA2 0.627 4.587 3.960 0.000 0.000 0.205 668 G HA3 0.627 4.587 3.960 0.000 0.000 0.205 668 G C -1.564 173.344 174.900 0.013 0.000 1.234 668 G CA -0.587 44.522 45.100 0.014 0.000 0.918 668 G HN 0.431 nan 8.290 nan 0.000 0.602 669 L N 0.371 121.602 121.223 0.014 0.000 2.356 669 L HA 0.622 4.963 4.340 0.000 0.000 0.277 669 L C -0.621 176.259 176.870 0.015 0.000 0.996 669 L CA -0.857 53.991 54.840 0.014 0.000 0.822 669 L CB 1.507 43.573 42.059 0.013 0.000 1.256 669 L HN 0.384 nan 8.230 nan 0.000 0.413 670 I N 6.016 126.595 120.570 0.015 0.000 2.494 670 I HA -0.006 4.164 4.170 0.000 0.000 0.289 670 I C 0.976 177.103 176.117 0.016 0.000 1.106 670 I CA -0.040 61.270 61.300 0.016 0.000 1.369 670 I CB 1.286 39.294 38.000 0.014 0.000 1.410 670 I HN 0.605 nan 8.210 nan 0.000 0.523 671 V N 6.132 126.058 119.914 0.019 0.000 2.535 671 V HA -0.056 4.064 4.120 0.000 0.000 0.246 671 V C 0.610 176.716 176.094 0.020 0.000 1.045 671 V CA 1.281 63.593 62.300 0.021 0.000 1.058 671 V CB -0.562 31.275 31.823 0.025 0.000 0.689 671 V HN 0.899 nan 8.190 nan 0.000 0.461 672 K N -0.874 119.538 120.400 0.021 0.000 2.622 672 K HA 0.481 4.801 4.320 0.000 0.000 0.273 672 K C -2.108 174.503 176.600 0.019 0.000 0.957 672 K CA -0.688 55.610 56.287 0.019 0.000 0.861 672 K CB 2.119 34.633 32.500 0.023 0.000 1.405 672 K HN -0.193 nan 8.250 nan 0.000 0.406 673 V N 2.228 122.150 119.914 0.013 0.000 2.448 673 V HA 0.277 4.397 4.120 0.000 0.000 0.295 673 V C -0.690 175.410 176.094 0.009 0.000 1.025 673 V CA -0.489 61.818 62.300 0.012 0.000 0.859 673 V CB 1.317 33.142 31.823 0.003 0.000 0.988 673 V HN 0.975 nan 8.190 nan 0.000 0.431 674 D N 2.709 123.119 120.400 0.016 0.000 2.559 674 D HA 0.379 5.019 4.640 0.000 0.000 0.234 674 D C -0.416 175.892 176.300 0.013 0.000 1.226 674 D CA -0.126 53.881 54.000 0.011 0.000 0.830 674 D CB 0.884 41.693 40.800 0.016 0.000 1.028 674 D HN 0.266 nan 8.370 nan 0.000 0.492 675 V N 0.285 120.205 119.914 0.010 0.000 2.760 675 V HA 0.327 4.447 4.120 0.000 0.000 0.309 675 V C -0.312 175.774 176.094 -0.013 0.000 1.077 675 V CA -0.954 61.352 62.300 0.009 0.000 0.910 675 V CB 2.407 34.248 31.823 0.030 0.000 1.008 675 V HN 0.113 nan 8.190 nan 0.000 0.424 676 E N 1.564 121.754 120.200 -0.017 0.000 2.232 676 E HA 0.597 4.947 4.350 0.000 0.000 0.265 676 E C -0.908 175.665 176.600 -0.045 0.000 1.001 676 E CA -0.880 55.503 56.400 -0.029 0.000 0.870 676 E CB 2.274 31.962 29.700 -0.020 0.000 1.175 676 E HN 0.489 nan 8.360 nan 0.000 0.407 677 V N 0.786 120.669 119.914 -0.053 0.000 2.872 677 V HA 0.168 4.288 4.120 0.000 0.000 0.307 677 V C 1.377 177.442 176.094 -0.048 0.000 1.072 677 V CA 0.733 62.992 62.300 -0.068 0.000 1.148 677 V CB 0.198 31.985 31.823 -0.060 0.000 0.954 677 V HN 1.062 nan 8.190 nan 0.000 0.490 678 G N 1.939 110.708 108.800 -0.051 0.000 2.187 678 G HA2 -0.304 3.656 3.960 0.000 0.000 0.261 678 G HA3 -0.304 3.656 3.960 0.000 0.000 0.261 678 G C 0.204 175.099 174.900 -0.008 0.000 1.000 678 G CA 0.827 45.912 45.100 -0.024 0.000 0.718 678 G HN 0.958 nan 8.290 nan 0.000 0.519 679 Q N -0.204 119.592 119.800 -0.007 0.000 2.221 679 Q HA 0.579 4.919 4.340 0.000 0.000 0.242 679 Q C -0.018 176.010 176.000 0.048 0.000 0.940 679 Q CA -0.611 55.202 55.803 0.015 0.000 0.896 679 Q CB 0.692 29.439 28.738 0.014 0.000 1.226 679 Q HN 0.439 nan 8.270 nan 0.000 0.463 680 E N 1.537 121.770 120.200 0.054 0.000 2.166 680 E HA 0.424 4.774 4.350 0.000 0.000 0.275 680 E C -1.399 175.252 176.600 0.085 0.000 0.941 680 E CA -0.817 55.628 56.400 0.075 0.000 0.784 680 E CB 1.501 31.232 29.700 0.052 0.000 1.115 680 E HN 0.457 nan 8.360 nan 0.000 0.399 681 V N 1.431 121.414 119.914 0.115 0.000 2.628 681 V HA 0.489 4.609 4.120 0.000 0.000 0.306 681 V C -0.469 175.652 176.094 0.045 0.000 1.045 681 V CA -1.088 61.270 62.300 0.095 0.000 0.905 681 V CB 1.701 33.618 31.823 0.157 0.000 0.997 681 V HN 0.606 nan 8.190 nan 0.000 0.436 682 Q N 1.612 121.431 119.800 0.032 0.000 2.259 682 Q HA 0.303 4.643 4.340 0.000 0.000 0.246 682 Q C 0.075 176.071 176.000 -0.007 0.000 0.920 682 Q CA -0.292 55.521 55.803 0.016 0.000 0.895 682 Q CB 1.486 30.238 28.738 0.023 0.000 1.220 682 Q HN 0.954 nan 8.270 nan 0.000 0.439 683 E N 0.430 120.619 120.200 -0.018 0.000 2.491 683 E HA 0.055 4.405 4.350 0.000 0.000 0.250 683 E C 0.252 176.838 176.600 -0.022 0.000 1.061 683 E CA 0.946 57.324 56.400 -0.036 0.000 0.942 683 E CB -0.148 29.532 29.700 -0.035 0.000 0.957 683 E HN 0.846 nan 8.360 nan 0.000 0.480 684 G N 3.886 112.670 108.800 -0.027 0.000 2.159 684 G HA2 -0.285 3.675 3.960 0.000 0.000 0.227 684 G HA3 -0.285 3.675 3.960 0.000 0.000 0.227 684 G C 0.209 175.113 174.900 0.006 0.000 0.986 684 G CA 0.268 45.362 45.100 -0.010 0.000 0.651 684 G HN 0.589 nan 8.290 nan 0.000 0.523 685 Q N 0.612 120.418 119.800 0.010 0.000 2.314 685 Q HA 0.621 4.961 4.340 0.000 0.000 0.258 685 Q C 0.849 176.872 176.000 0.039 0.000 0.954 685 Q CA 0.088 55.907 55.803 0.027 0.000 0.890 685 Q CB 0.824 29.583 28.738 0.035 0.000 1.210 685 Q HN 0.957 nan 8.270 nan 0.000 0.410 686 A N 4.927 127.771 122.820 0.041 0.000 2.561 686 A HA 0.030 4.350 4.320 0.000 0.000 0.251 686 A C 0.404 178.023 177.584 0.058 0.000 1.062 686 A CA 0.307 52.372 52.037 0.046 0.000 0.761 686 A CB 0.042 19.068 19.000 0.043 0.000 0.986 686 A HN 0.954 nan 8.150 nan 0.000 0.510 687 L N 2.207 123.472 121.223 0.069 0.000 2.327 687 L HA 0.123 4.463 4.340 0.000 0.000 0.192 687 L C 1.187 178.094 176.870 0.061 0.000 1.158 687 L CA 0.872 55.765 54.840 0.087 0.000 0.813 687 L CB -0.621 41.518 42.059 0.134 0.000 1.021 687 L HN 0.961 nan 8.230 nan 0.000 0.481 688 C N -2.667 116.666 119.300 0.056 0.000 3.205 688 C HA 0.810 5.270 4.460 0.000 0.000 0.372 688 C C -0.162 174.852 174.990 0.038 0.000 1.892 688 C CA -0.616 58.427 59.018 0.041 0.000 1.516 688 C CB 1.684 29.446 27.740 0.037 0.000 2.371 688 C HN 0.294 nan 8.230 nan 0.000 0.468 689 T N 1.186 115.760 114.554 0.033 0.000 3.335 689 T HA 0.452 4.802 4.350 0.000 0.000 0.321 689 T C -0.901 173.816 174.700 0.028 0.000 0.960 689 T CA 0.051 62.170 62.100 0.032 0.000 1.034 689 T CB 0.442 69.330 68.868 0.034 0.000 1.040 689 T HN 0.585 nan 8.240 nan 0.000 0.454 690 I N 2.373 122.960 120.570 0.027 0.000 2.353 690 I HA 0.384 4.554 4.170 0.000 0.000 0.293 690 I C 0.582 176.713 176.117 0.022 0.000 0.992 690 I CA -0.736 60.578 61.300 0.023 0.000 1.268 690 I CB 1.485 39.499 38.000 0.023 0.000 1.387 690 I HN 0.532 nan 8.210 nan 0.000 0.478 691 E N 4.650 124.862 120.200 0.020 0.000 2.130 691 E HA 0.423 4.773 4.350 0.000 0.000 0.284 691 E C 0.282 176.892 176.600 0.017 0.000 1.018 691 E CA -0.192 56.219 56.400 0.019 0.000 0.817 691 E CB 1.346 31.058 29.700 0.019 0.000 1.078 691 E HN 0.765 nan 8.360 nan 0.000 0.396 692 A N 4.944 127.774 122.820 0.017 0.000 1.833 692 A HA 0.074 4.394 4.320 0.000 0.000 0.215 692 A C 0.894 178.486 177.584 0.014 0.000 1.275 692 A CA 0.811 52.857 52.037 0.015 0.000 0.602 692 A CB 0.183 19.193 19.000 0.016 0.000 0.929 692 A HN 0.711 nan 8.150 nan 0.000 0.462 693 M N -0.430 119.178 119.600 0.014 0.000 3.053 693 M HA 0.262 4.742 4.480 0.000 0.000 0.293 693 M C -0.832 175.476 176.300 0.013 0.000 1.470 693 M CA -0.289 55.019 55.300 0.012 0.000 0.582 693 M CB 1.276 33.883 32.600 0.011 0.000 1.435 693 M HN 0.290 nan 8.290 nan 0.000 0.451 694 K N -0.426 119.982 120.400 0.013 0.000 3.251 694 K HA -0.136 4.184 4.320 0.000 0.000 0.282 694 K C -0.815 175.794 176.600 0.016 0.000 1.201 694 K CA 0.776 57.072 56.287 0.014 0.000 0.827 694 K CB -1.407 31.100 32.500 0.012 0.000 1.286 694 K HN 0.624 nan 8.250 nan 0.000 0.503 695 M N 0.488 120.098 119.600 0.017 0.000 2.326 695 M HA 0.304 4.784 4.480 0.000 0.000 0.292 695 M C -1.054 175.258 176.300 0.021 0.000 1.081 695 M CA -0.312 54.999 55.300 0.019 0.000 0.919 695 M CB 1.808 34.418 32.600 0.017 0.000 1.634 695 M HN 0.118 nan 8.290 nan 0.000 0.451 696 E N 2.343 122.557 120.200 0.024 0.000 2.259 696 E HA 0.399 4.749 4.350 0.000 0.000 0.281 696 E C -1.099 175.518 176.600 0.027 0.000 1.027 696 E CA -0.273 56.143 56.400 0.027 0.000 0.838 696 E CB 0.815 30.534 29.700 0.031 0.000 1.066 696 E HN 0.576 nan 8.360 nan 0.000 0.401 697 N N 2.589 121.306 118.700 0.027 0.000 2.442 697 N HA 0.315 5.055 4.740 0.000 0.000 0.274 697 N C -1.040 174.488 175.510 0.030 0.000 1.002 697 N CA -0.394 52.672 53.050 0.027 0.000 0.910 697 N CB 1.266 39.767 38.487 0.024 0.000 1.244 697 N HN 0.322 nan 8.380 nan 0.000 0.492 698 I N 2.922 123.511 120.570 0.032 0.000 2.337 698 I HA 0.179 4.349 4.170 0.000 0.000 0.291 698 I C -0.238 175.900 176.117 0.034 0.000 1.046 698 I CA -0.438 60.883 61.300 0.035 0.000 1.324 698 I CB 0.451 38.473 38.000 0.038 0.000 1.409 698 I HN 0.293 nan 8.210 nan 0.000 0.494 699 L N 8.027 129.273 121.223 0.038 0.000 2.350 699 L HA 0.521 4.861 4.340 0.000 0.000 0.275 699 L C 0.097 176.993 176.870 0.044 0.000 1.099 699 L CA -0.441 54.422 54.840 0.039 0.000 0.808 699 L CB 0.807 42.893 42.059 0.046 0.000 1.149 699 L HN 0.636 nan 8.230 nan 0.000 0.442 700 R N 2.381 122.902 120.500 0.034 0.000 2.808 700 R HA 0.763 5.103 4.340 0.000 0.000 0.272 700 R C -0.944 175.357 176.300 0.002 0.000 0.995 700 R CA -1.095 55.023 56.100 0.029 0.000 0.917 700 R CB 1.281 31.593 30.300 0.021 0.000 1.217 700 R HN 0.548 nan 8.270 nan 0.000 0.471 701 A N 1.179 123.992 122.820 -0.011 0.000 2.584 701 A HA -0.075 4.245 4.320 0.000 0.000 0.239 701 A C 0.880 178.394 177.584 -0.116 0.000 1.043 701 A CA 0.272 52.245 52.037 -0.106 0.000 0.756 701 A CB 0.047 18.989 19.000 -0.097 0.000 0.963 701 A HN 0.997 nan 8.150 nan 0.000 0.511 702 E N 1.643 121.739 120.200 -0.173 0.000 2.076 702 E HA -0.048 4.302 4.350 0.000 0.000 0.190 702 E C 0.577 177.106 176.600 -0.119 0.000 0.979 702 E CA 1.615 57.940 56.400 -0.125 0.000 0.807 702 E CB 0.023 29.646 29.700 -0.130 0.000 0.761 702 E HN 0.780 nan 8.360 nan 0.000 0.454 703 K N -0.662 119.638 120.400 -0.166 0.000 2.509 703 K HA 0.397 4.717 4.320 0.000 0.000 0.266 703 K C -1.180 175.335 176.600 -0.141 0.000 0.987 703 K CA -1.063 55.150 56.287 -0.124 0.000 0.868 703 K CB 1.396 33.832 32.500 -0.106 0.000 1.421 703 K HN -0.252 nan 8.250 nan 0.000 0.444 704 K N 0.463 120.816 120.400 -0.079 0.000 2.448 704 K HA 0.409 4.729 4.320 0.000 0.000 0.278 704 K C 0.199 176.767 176.600 -0.053 0.000 1.009 704 K CA 0.172 56.428 56.287 -0.050 0.000 0.995 704 K CB 0.672 33.164 32.500 -0.013 0.000 0.917 704 K HN 0.838 nan 8.250 nan 0.000 0.481 705 G N 0.308 109.099 108.800 -0.015 0.000 2.427 705 G HA2 0.427 4.387 3.960 0.000 0.000 0.306 705 G HA3 0.427 4.387 3.960 0.000 0.000 0.306 705 G C -1.750 173.256 174.900 0.178 0.000 1.280 705 G CA -0.759 44.370 45.100 0.049 0.000 0.837 705 G HN 0.359 nan 8.290 nan 0.000 0.482 706 V N 0.175 120.252 119.914 0.273 0.000 2.656 706 V HA 0.485 4.605 4.120 0.000 0.000 0.307 706 V C 0.256 176.484 176.094 0.222 0.000 1.051 706 V CA -0.772 61.670 62.300 0.236 0.000 0.893 706 V CB 1.744 33.633 31.823 0.110 0.000 0.999 706 V HN 0.707 nan 8.190 nan 0.000 0.426 707 V N 4.452 124.376 119.914 0.017 0.000 2.458 707 V HA 0.159 4.279 4.120 0.000 0.000 0.287 707 V C 1.260 177.225 176.094 -0.215 0.000 1.009 707 V CA 1.104 63.196 62.300 -0.347 0.000 1.091 707 V CB 0.336 31.994 31.823 -0.275 0.000 0.960 707 V HN 1.131 nan 8.190 nan 0.000 0.476 708 A N 6.044 128.712 122.820 -0.254 0.000 1.843 708 A HA 0.171 4.491 4.320 0.000 0.000 0.213 708 A C 0.878 178.380 177.584 -0.137 0.000 1.239 708 A CA 1.082 53.043 52.037 -0.127 0.000 0.606 708 A CB 0.108 19.059 19.000 -0.082 0.000 0.903 708 A HN 0.843 nan 8.150 nan 0.000 0.455 709 K N -1.308 118.990 120.400 -0.171 0.000 2.512 709 K HA 0.750 5.070 4.320 0.000 0.000 0.263 709 K C -1.579 174.927 176.600 -0.157 0.000 0.966 709 K CA -0.676 55.532 56.287 -0.132 0.000 0.851 709 K CB 1.633 34.085 32.500 -0.081 0.000 1.395 709 K HN 0.212 nan 8.250 nan 0.000 0.440 710 I N 1.499 122.001 120.570 -0.113 0.000 2.693 710 I HA 0.331 4.501 4.170 0.000 0.000 0.303 710 I C -0.665 175.418 176.117 -0.058 0.000 1.025 710 I CA -1.177 60.067 61.300 -0.094 0.000 1.086 710 I CB 1.964 39.917 38.000 -0.078 0.000 1.268 710 I HN 0.807 nan 8.210 nan 0.000 0.440 711 N N 4.590 123.264 118.700 -0.042 0.000 2.666 711 N HA 0.576 5.316 4.740 0.000 0.000 0.253 711 N C -1.198 174.302 175.510 -0.016 0.000 1.621 711 N CA -0.407 52.627 53.050 -0.027 0.000 0.785 711 N CB 1.703 40.176 38.487 -0.023 0.000 1.332 711 N HN 0.675 nan 8.380 nan 0.000 0.514 712 A N 0.065 122.876 122.820 -0.015 0.000 2.574 712 A HA 0.666 4.987 4.320 0.000 0.000 0.298 712 A C -1.152 176.428 177.584 -0.008 0.000 0.987 712 A CA -0.264 51.768 52.037 -0.007 0.000 0.678 712 A CB 0.434 19.432 19.000 -0.002 0.000 1.296 712 A HN 0.650 nan 8.150 nan 0.000 0.420 713 S N 0.167 115.866 115.700 -0.003 0.000 2.790 713 S HA 0.934 5.404 4.470 0.000 0.000 0.292 713 S C 0.354 174.956 174.600 0.002 0.000 1.197 713 S CA -0.184 58.014 58.200 -0.002 0.000 0.851 713 S CB 0.585 63.782 63.200 -0.005 0.000 1.217 713 S HN 2.569 nan 8.310 nan 0.000 0.526 714 A N -0.127 122.696 122.820 0.004 0.000 2.583 714 A HA 0.456 4.776 4.320 0.000 0.000 0.231 714 A C 1.705 179.293 177.584 0.006 0.000 1.065 714 A CA 0.766 52.807 52.037 0.007 0.000 0.760 714 A CB -1.582 17.422 19.000 0.007 0.000 1.001 714 A HN 2.650 nan 8.150 nan 0.000 0.509 715 G N 1.289 110.094 108.800 0.008 0.000 2.322 715 G HA2 -0.327 3.633 3.960 0.000 0.000 0.264 715 G HA3 -0.327 3.633 3.960 0.000 0.000 0.264 715 G C 0.392 175.296 174.900 0.007 0.000 0.992 715 G CA 0.840 45.945 45.100 0.008 0.000 0.624 715 G HN 1.017 nan 8.290 nan 0.000 0.543 716 N N 0.655 119.359 118.700 0.006 0.000 2.381 716 N HA 0.493 5.233 4.740 0.000 0.000 0.241 716 N C -0.105 175.410 175.510 0.008 0.000 1.279 716 N CA 0.894 53.947 53.050 0.006 0.000 0.896 716 N CB 0.756 39.246 38.487 0.005 0.000 1.118 716 N HN 0.230 nan 8.380 nan 0.000 0.438 717 S N 0.666 116.370 115.700 0.007 0.000 2.746 717 S HA 0.441 4.911 4.470 0.000 0.000 0.273 717 S C -0.711 173.894 174.600 0.008 0.000 1.172 717 S CA -0.808 57.397 58.200 0.008 0.000 1.116 717 S CB -0.047 63.158 63.200 0.008 0.000 1.057 717 S HN 0.404 nan 8.310 nan 0.000 0.483 718 L N 0.833 122.062 121.223 0.010 0.000 2.334 718 L HA 1.043 5.383 4.340 0.000 0.000 0.273 718 L C 0.304 177.181 176.870 0.011 0.000 1.013 718 L CA -1.190 53.656 54.840 0.010 0.000 0.816 718 L CB 1.075 43.141 42.059 0.011 0.000 1.278 718 L HN 0.539 nan 8.230 nan 0.000 0.431 719 A N 1.783 124.609 122.820 0.011 0.000 2.301 719 A HA 0.615 4.935 4.320 0.000 0.000 0.287 719 A C 0.202 177.793 177.584 0.013 0.000 1.274 719 A CA -0.468 51.575 52.037 0.011 0.000 0.865 719 A CB 0.787 19.793 19.000 0.009 0.000 1.324 719 A HN 0.587 nan 8.150 nan 0.000 0.508 720 V N -0.143 119.778 119.914 0.012 0.000 3.432 720 V HA 0.136 4.256 4.120 0.000 0.000 0.304 720 V C 0.919 177.022 176.094 0.014 0.000 1.107 720 V CA 1.533 63.842 62.300 0.014 0.000 1.153 720 V CB 0.188 32.018 31.823 0.012 0.000 1.072 720 V HN 1.029 nan 8.190 nan 0.000 0.485 721 D N 0.279 120.688 120.400 0.016 0.000 2.601 721 D HA -0.179 4.461 4.640 0.000 0.000 0.180 721 D C 0.312 176.624 176.300 0.019 0.000 1.213 721 D CA 1.733 55.744 54.000 0.018 0.000 1.112 721 D CB -0.988 39.821 40.800 0.015 0.000 1.132 721 D HN 0.831 nan 8.370 nan 0.000 0.418 722 D N 0.743 121.153 120.400 0.017 0.000 2.502 722 D HA 0.101 4.741 4.640 0.000 0.000 0.249 722 D C 0.309 176.621 176.300 0.020 0.000 1.188 722 D CA 0.136 54.145 54.000 0.016 0.000 0.890 722 D CB 0.514 41.322 40.800 0.013 0.000 1.140 722 D HN -0.024 nan 8.370 nan 0.000 0.505 723 V N 4.466 124.391 119.914 0.020 0.000 2.493 723 V HA -0.062 4.058 4.120 0.000 0.000 0.292 723 V C 1.742 177.846 176.094 0.018 0.000 1.016 723 V CA 0.305 62.620 62.300 0.025 0.000 1.097 723 V CB 0.382 32.217 31.823 0.021 0.000 0.947 723 V HN 0.486 nan 8.190 nan 0.000 0.479 724 I N 4.070 124.656 120.570 0.027 0.000 2.731 724 I HA 0.123 4.293 4.170 0.000 0.000 0.260 724 I C 0.779 176.892 176.117 -0.007 0.000 1.138 724 I CA 1.086 62.396 61.300 0.017 0.000 1.461 724 I CB 0.107 38.127 38.000 0.033 0.000 1.128 724 I HN 0.528 nan 8.210 nan 0.000 0.438 725 M N -0.910 118.686 119.600 -0.007 0.000 2.721 725 M HA 0.402 4.882 4.480 0.000 0.000 0.271 725 M C -1.418 174.823 176.300 -0.099 0.000 1.259 725 M CA -0.540 54.699 55.300 -0.102 0.000 0.835 725 M CB 3.117 35.604 32.600 -0.189 0.000 1.689 725 M HN -0.181 nan 8.290 nan 0.000 0.470 726 E N 0.493 120.551 120.200 -0.237 0.000 2.343 726 E HA 0.658 5.008 4.350 0.000 0.000 0.270 726 E C -1.851 174.541 176.600 -0.346 0.000 0.895 726 E CA -0.602 55.723 56.400 -0.126 0.000 0.767 726 E CB 2.888 32.550 29.700 -0.063 0.000 1.248 726 E HN 0.330 nan 8.360 nan 0.000 0.440 727 F N 1.341 121.294 119.950 0.004 0.000 2.532 727 F HA 0.180 4.707 4.527 0.000 0.000 0.321 727 F C 0.941 176.743 175.800 0.003 0.000 1.089 727 F CA -0.889 57.113 58.000 0.004 0.000 0.926 727 F CB 1.477 40.479 39.000 0.004 0.000 1.168 727 F HN 0.390 nan 8.300 nan 0.000 0.459 728 E N 0.000 120.285 120.200 0.142 0.000 2.725 728 E HA 0.000 4.350 4.350 0.000 0.000 0.291 728 E CA 0.000 56.452 56.400 0.087 0.000 0.976 728 E CB 0.000 29.732 29.700 0.053 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440