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 2ag1_1_B DATA FIRST_RESID 4 DATA SEQUENCE ITGGELVVRT LIKAGVEHLF GLHGAHIDTI FQACLDHDVP IIDTRHEAAA DATA SEQUENCE GHAAEGYARA GAKLGVALVT AGGGFTNAVT PIANAWLDRT PVLFLTGSGA DATA SEQUENCE LRDDETNTLQ AGIDQVAXAA PITKWAHRVX ATEHIPRLVX QAIRAALSAP DATA SEQUENCE RGPVLLDLPW DILXNQIDED SVIIPDLVLS AHGARPDPAD LDQALALLRK DATA SEQUENCE AERPVIVLGS EASRTARKTA LSAFVAATGV PVFADYEGLS XLSGLPDAXR DATA SEQUENCE GGLVQNLYSF AKADAAPDLV LXLGARFGLN TGHGSGQLIP HSAQVIQVDP DATA SEQUENCE DACELGRLQG IALGIVADVG GTIEALAQAT AQDAAWPDRG DWCAKVTDLA DATA SEQUENCE QERYASIAAK SSSEHALHPF HASQVIAKHV DAGVTVVADG ALTYLWLSEV DATA SEQUENCE XSRVKPGGFL CHGYLGSXGV GFGTALGAQV ADLEAGRRTI LVTGDGSVGY DATA SEQUENCE SIGEFDTLVR KQLPLIVIIX NNQSWGATLH FQQLAVGPNR VTGTRLENGS DATA SEQUENCE YHGVAAAFGA DGYHVDSVES FSAALAQALA HNRPACINVA VALDPIPPEE DATA SEQUENCE LI 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.134 176.117 0.029 0.000 1.063 4 I CA 0.000 61.318 61.300 0.029 0.000 1.566 4 I CB 0.000 38.024 38.000 0.040 0.000 1.214 5 T N 0.062 114.639 114.554 0.039 0.000 2.874 5 T HA 0.492 4.842 4.350 -0.000 0.000 0.281 5 T C 1.188 175.915 174.700 0.045 0.000 0.994 5 T CA 0.031 62.156 62.100 0.040 0.000 1.015 5 T CB 1.387 70.287 68.868 0.054 0.000 1.028 5 T HN 1.092 nan 8.240 nan 0.000 0.523 6 G N 0.605 109.432 108.800 0.044 0.000 2.442 6 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.219 6 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.219 6 G C 1.572 176.507 174.900 0.059 0.000 1.141 6 G CA 0.666 45.795 45.100 0.048 0.000 0.763 6 G HN 1.057 nan 8.290 nan 0.000 0.554 7 G N 0.397 109.241 108.800 0.074 0.000 2.440 7 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 7 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 7 G C 1.645 176.584 174.900 0.064 0.000 1.154 7 G CA 1.165 46.312 45.100 0.077 0.000 0.767 7 G HN 0.361 nan 8.290 nan 0.000 0.552 8 E N 0.012 120.254 120.200 0.070 0.000 2.058 8 E HA -0.099 4.250 4.350 -0.000 0.000 0.194 8 E C 2.689 179.315 176.600 0.042 0.000 0.997 8 E CA 0.596 57.041 56.400 0.075 0.000 0.801 8 E CB -0.398 29.352 29.700 0.084 0.000 0.746 8 E HN 0.237 nan 8.360 nan 0.000 0.450 9 L N 0.540 121.786 121.223 0.039 0.000 2.013 9 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 9 L C 2.580 179.461 176.870 0.018 0.000 1.073 9 L CA 1.178 56.035 54.840 0.028 0.000 0.753 9 L CB -1.323 40.758 42.059 0.037 0.000 0.890 9 L HN -0.008 nan 8.230 nan 0.000 0.432 10 V N -1.269 118.660 119.914 0.025 0.000 2.255 10 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 10 V C 2.494 178.579 176.094 -0.015 0.000 1.051 10 V CA 1.685 63.995 62.300 0.016 0.000 1.018 10 V CB -0.496 31.341 31.823 0.024 0.000 0.641 10 V HN 0.254 nan 8.190 nan 0.000 0.445 11 V N -0.428 119.470 119.914 -0.028 0.000 2.358 11 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 11 V C 2.551 178.561 176.094 -0.141 0.000 1.047 11 V CA 1.886 64.141 62.300 -0.074 0.000 1.035 11 V CB -0.773 31.024 31.823 -0.042 0.000 0.658 11 V HN 0.451 nan 8.190 nan 0.000 0.452 12 R N -0.171 120.246 120.500 -0.138 0.000 2.096 12 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 12 R C 2.351 178.590 176.300 -0.101 0.000 1.127 12 R CA 1.934 57.933 56.100 -0.169 0.000 0.968 12 R CB -0.596 29.643 30.300 -0.101 0.000 0.861 12 R HN 0.513 nan 8.270 nan 0.000 0.440 13 T N 1.309 115.831 114.554 -0.054 0.000 2.857 13 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 13 T C 1.858 176.538 174.700 -0.033 0.000 1.048 13 T CA 0.770 62.853 62.100 -0.028 0.000 1.139 13 T CB -0.046 68.824 68.868 0.003 0.000 0.874 13 T HN 0.119 nan 8.240 nan 0.000 0.455 14 L N 0.715 121.911 121.223 -0.046 0.000 2.046 14 L HA -0.068 4.271 4.340 -0.000 0.000 0.208 14 L C 2.506 179.339 176.870 -0.062 0.000 1.077 14 L CA 0.911 55.723 54.840 -0.048 0.000 0.747 14 L CB -0.648 41.373 42.059 -0.062 0.000 0.896 14 L HN 0.240 nan 8.230 nan 0.000 0.432 15 I N 0.177 120.688 120.570 -0.097 0.000 2.163 15 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 15 I C 2.477 178.555 176.117 -0.066 0.000 1.085 15 I CA 1.725 62.963 61.300 -0.104 0.000 1.347 15 I CB -0.897 37.000 38.000 -0.172 0.000 1.044 15 I HN 0.324 nan 8.210 nan 0.000 0.408 16 K N 0.600 120.966 120.400 -0.058 0.000 2.211 16 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 16 K C 2.036 178.623 176.600 -0.021 0.000 1.050 16 K CA 1.128 57.394 56.287 -0.035 0.000 0.945 16 K CB -0.022 32.461 32.500 -0.029 0.000 0.732 16 K HN 0.288 nan 8.250 nan 0.000 0.451 17 A N 0.174 122.984 122.820 -0.018 0.000 2.168 17 A HA 0.067 4.386 4.320 -0.000 0.000 0.215 17 A C 1.384 178.968 177.584 -0.001 0.000 1.152 17 A CA 1.210 53.244 52.037 -0.005 0.000 0.716 17 A CB -0.270 18.732 19.000 0.003 0.000 0.794 17 A HN 0.429 nan 8.150 nan 0.000 0.465 18 G N -1.253 107.542 108.800 -0.009 0.000 2.141 18 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.231 18 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.231 18 G C 0.439 175.347 174.900 0.013 0.000 0.984 18 G CA 0.498 45.598 45.100 0.000 0.000 0.660 18 G HN 1.802 nan 8.290 nan 0.000 0.525 19 V N -1.449 118.465 119.914 0.000 0.000 2.715 19 V HA 0.728 4.848 4.120 -0.000 0.000 0.299 19 V C 0.790 176.857 176.094 -0.044 0.000 1.054 19 V CA 1.021 63.325 62.300 0.008 0.000 1.077 19 V CB 1.509 33.324 31.823 -0.014 0.000 0.972 19 V HN 0.343 nan 8.190 nan 0.000 0.484 20 E N 2.580 122.755 120.200 -0.041 0.000 2.572 20 E HA 0.281 4.631 4.350 -0.000 0.000 0.220 20 E C -0.879 175.360 176.600 -0.601 0.000 0.945 20 E CA -0.081 56.181 56.400 -0.229 0.000 1.070 20 E CB 0.604 30.220 29.700 -0.140 0.000 1.090 20 E HN 0.990 nan 8.360 nan 0.000 0.506 21 H N -0.864 118.063 119.070 -0.237 0.000 3.038 21 H HA 0.415 4.971 4.556 -0.000 0.000 0.362 21 H C -1.392 173.578 175.328 -0.596 0.000 1.167 21 H CA -0.638 55.124 56.048 -0.476 0.000 1.197 21 H CB 1.418 30.772 29.762 -0.679 0.000 1.840 21 H HN -0.149 nan 8.280 nan 0.000 0.540 22 L N 1.796 122.700 121.223 -0.531 0.000 2.323 22 L HA 0.567 4.907 4.340 -0.000 0.000 0.265 22 L C -1.180 175.252 176.870 -0.730 0.000 1.012 22 L CA -0.427 54.125 54.840 -0.480 0.000 0.820 22 L CB 1.187 43.054 42.059 -0.319 0.000 1.334 22 L HN 0.503 nan 8.230 nan 0.000 0.427 23 F N 0.286 120.138 119.950 -0.162 0.000 2.507 23 F HA 0.790 5.316 4.527 -0.000 0.000 0.328 23 F C 0.583 176.349 175.800 -0.057 0.000 1.136 23 F CA -0.489 57.451 58.000 -0.101 0.000 0.930 23 F CB 1.952 40.889 39.000 -0.105 0.000 1.166 23 F HN 0.465 nan 8.300 nan 0.000 0.436 24 G N 2.452 111.330 108.800 0.130 0.000 2.682 24 G HA2 0.642 4.602 3.960 -0.000 0.000 0.303 24 G HA3 0.642 4.602 3.960 -0.000 0.000 0.303 24 G C -2.661 172.363 174.900 0.207 0.000 1.341 24 G CA -0.687 44.501 45.100 0.147 0.000 0.784 24 G HN 0.419 nan 8.290 nan 0.000 0.497 25 L N 0.647 122.009 121.223 0.231 0.000 2.464 25 L HA 0.563 4.903 4.340 -0.000 0.000 0.266 25 L C -0.518 176.480 176.870 0.214 0.000 0.965 25 L CA -0.794 54.163 54.840 0.195 0.000 0.833 25 L CB 1.318 43.432 42.059 0.093 0.000 1.296 25 L HN 0.879 nan 8.230 nan 0.000 0.405 26 H N 2.883 121.970 119.070 0.029 0.000 2.771 26 H HA 0.591 5.147 4.556 -0.000 0.000 0.364 26 H C -0.088 175.145 175.328 -0.159 0.000 1.133 26 H CA 1.181 57.063 56.048 -0.277 0.000 1.423 26 H CB 1.155 30.516 29.762 -0.670 0.000 1.425 26 H HN 0.817 nan 8.280 nan 0.000 0.606 27 G N 1.130 109.327 108.800 -1.005 0.000 2.742 27 G HA2 0.457 4.416 3.960 -0.000 0.000 0.296 27 G HA3 0.457 4.416 3.960 -0.000 0.000 0.296 27 G C 0.273 174.742 174.900 -0.719 0.000 1.436 27 G CA -0.251 44.487 45.100 -0.604 0.000 0.928 27 G HN 0.875 nan 8.290 nan 0.000 0.520 28 A N 0.488 123.121 122.820 -0.312 0.000 1.927 28 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 28 A C 1.836 179.166 177.584 -0.422 0.000 1.185 28 A CA 2.269 54.173 52.037 -0.223 0.000 0.639 28 A CB -1.069 17.818 19.000 -0.189 0.000 0.820 28 A HN 0.826 nan 8.150 nan 0.000 0.451 29 H N -0.529 118.043 119.070 -0.830 0.000 2.457 29 H HA -0.097 4.459 4.556 -0.000 0.000 0.297 29 H C 1.460 176.560 175.328 -0.380 0.000 1.092 29 H CA 1.551 56.951 56.048 -1.080 0.000 1.309 29 H CB -0.172 29.106 29.762 -0.806 0.000 1.382 29 H HN 0.760 nan 8.280 nan 0.000 0.535 30 I N -1.873 118.628 120.570 -0.114 0.000 3.707 30 I HA 0.185 4.355 4.170 -0.000 0.000 0.330 30 I C 0.805 177.014 176.117 0.154 0.000 1.572 30 I CA -0.088 61.240 61.300 0.046 0.000 1.104 30 I CB 0.534 38.576 38.000 0.070 0.000 1.240 30 I HN -0.189 nan 8.210 nan 0.000 0.475 31 D N 1.754 122.220 120.400 0.109 0.000 2.277 31 D HA -0.173 4.467 4.640 -0.000 0.000 0.208 31 D C 2.248 178.719 176.300 0.285 0.000 0.962 31 D CA 1.930 56.078 54.000 0.247 0.000 0.865 31 D CB 0.349 41.292 40.800 0.237 0.000 0.939 31 D HN 0.509 nan 8.370 nan 0.000 0.510 32 T N -1.507 113.180 114.554 0.222 0.000 2.833 32 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 32 T C 2.112 176.911 174.700 0.166 0.000 1.054 32 T CA 0.853 63.060 62.100 0.179 0.000 1.135 32 T CB -0.492 68.467 68.868 0.151 0.000 0.869 32 T HN 0.213 nan 8.240 nan 0.000 0.466 33 I N -0.423 120.250 120.570 0.171 0.000 2.286 33 I HA 0.024 4.194 4.170 -0.000 0.000 0.245 33 I C 2.207 178.359 176.117 0.059 0.000 1.104 33 I CA 1.066 62.416 61.300 0.084 0.000 1.397 33 I CB -0.418 37.596 38.000 0.023 0.000 1.072 33 I HN 0.101 nan 8.210 nan 0.000 0.417 34 F N 1.156 121.152 119.950 0.077 0.000 2.095 34 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 34 F C 2.784 178.625 175.800 0.068 0.000 1.104 34 F CA 1.422 59.475 58.000 0.088 0.000 1.232 34 F CB -0.553 38.547 39.000 0.166 0.000 0.987 34 F HN 0.061 nan 8.300 nan 0.000 0.475 35 Q N 0.189 120.150 119.800 0.268 0.000 2.061 35 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 35 Q C 2.565 178.631 176.000 0.109 0.000 0.984 35 Q CA 1.657 57.554 55.803 0.158 0.000 0.846 35 Q CB -1.251 27.566 28.738 0.132 0.000 0.902 35 Q HN 0.442 nan 8.270 nan 0.000 0.421 36 A N 0.402 123.291 122.820 0.116 0.000 1.877 36 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 36 A C 2.593 180.263 177.584 0.144 0.000 1.186 36 A CA 1.637 53.756 52.037 0.136 0.000 0.620 36 A CB -1.058 18.023 19.000 0.134 0.000 0.822 36 A HN 0.490 nan 8.150 nan 0.000 0.443 37 C N -0.775 118.562 119.300 0.063 0.000 2.425 37 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 37 C C 2.500 177.505 174.990 0.024 0.000 1.280 37 C CA 0.900 59.925 59.018 0.012 0.000 1.744 37 C CB -1.366 26.309 27.740 -0.108 0.000 1.989 37 C HN 0.656 nan 8.230 nan 0.000 0.491 38 L N 1.042 122.290 121.223 0.041 0.000 2.046 38 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 38 L C 2.079 178.946 176.870 -0.004 0.000 1.077 38 L CA 2.141 57.000 54.840 0.032 0.000 0.747 38 L CB -0.923 41.172 42.059 0.059 0.000 0.896 38 L HN 0.304 nan 8.230 nan 0.000 0.432 39 D N -0.989 119.395 120.400 -0.028 0.000 2.144 39 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 39 D C 1.661 177.822 176.300 -0.231 0.000 0.978 39 D CA 1.299 55.214 54.000 -0.141 0.000 0.833 39 D CB -0.064 40.613 40.800 -0.204 0.000 0.961 39 D HN 0.498 nan 8.370 nan 0.000 0.470 40 H N -0.235 118.824 119.070 -0.019 0.000 2.551 40 H HA 0.106 4.661 4.556 -0.000 0.000 0.271 40 H C -0.232 175.070 175.328 -0.042 0.000 0.984 40 H CA 0.052 56.083 56.048 -0.029 0.000 1.164 40 H CB 0.494 30.236 29.762 -0.034 0.000 1.437 40 H HN -0.139 nan 8.280 nan 0.000 0.550 41 D N 0.192 120.611 120.400 0.032 0.000 2.870 41 D HA -0.147 4.492 4.640 -0.000 0.000 0.228 41 D C -0.811 175.467 176.300 -0.036 0.000 1.147 41 D CA 0.415 54.413 54.000 -0.005 0.000 0.757 41 D CB -1.322 39.474 40.800 -0.007 0.000 1.091 41 D HN 0.135 nan 8.370 nan 0.000 0.429 42 V N 1.994 121.883 119.914 -0.041 0.000 2.348 42 V HA 0.275 4.395 4.120 -0.000 0.000 0.270 42 V C -1.602 174.406 176.094 -0.144 0.000 1.037 42 V CA -1.152 61.078 62.300 -0.118 0.000 0.872 42 V CB 1.419 33.173 31.823 -0.116 0.000 1.002 42 V HN -0.025 nan 8.190 nan 0.000 0.464 43 P HA 0.235 nan 4.420 nan 0.000 0.271 43 P C -0.564 176.610 177.300 -0.210 0.000 1.220 43 P CA 0.125 63.142 63.100 -0.138 0.000 0.768 43 P CB 0.913 32.565 31.700 -0.080 0.000 0.848 44 I N 4.468 124.922 120.570 -0.193 0.000 2.330 44 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 44 I C 0.657 176.681 176.117 -0.155 0.000 1.001 44 I CA -0.937 60.205 61.300 -0.263 0.000 1.193 44 I CB 1.058 38.837 38.000 -0.368 0.000 1.345 44 I HN 0.102 nan 8.210 nan 0.000 0.461 45 I N 6.541 126.958 120.570 -0.255 0.000 2.311 45 I HA 0.034 4.204 4.170 -0.000 0.000 0.297 45 I C 0.358 176.514 176.117 0.064 0.000 1.131 45 I CA -0.078 61.173 61.300 -0.083 0.000 1.289 45 I CB -0.446 37.500 38.000 -0.089 0.000 1.446 45 I HN 0.593 nan 8.210 nan 0.000 0.524 46 D N 5.127 125.588 120.400 0.101 0.000 2.277 46 D HA 0.215 4.855 4.640 -0.000 0.000 0.249 46 D C 0.397 176.762 176.300 0.108 0.000 1.134 46 D CA -0.328 53.760 54.000 0.147 0.000 0.863 46 D CB 1.723 42.641 40.800 0.197 0.000 1.143 46 D HN 0.457 nan 8.370 nan 0.000 0.458 47 T N 0.210 114.828 114.554 0.106 0.000 2.902 47 T HA 0.352 4.701 4.350 -0.000 0.000 0.287 47 T C 1.044 175.762 174.700 0.030 0.000 1.048 47 T CA -0.875 61.259 62.100 0.056 0.000 0.941 47 T CB 1.328 70.233 68.868 0.062 0.000 1.432 47 T HN 0.228 nan 8.240 nan 0.000 0.586 48 R N -0.125 120.374 120.500 -0.002 0.000 2.397 48 R HA 0.278 4.618 4.340 -0.000 0.000 0.241 48 R C 0.014 176.350 176.300 0.060 0.000 0.914 48 R CA 0.032 56.131 56.100 -0.002 0.000 1.071 48 R CB -0.502 29.759 30.300 -0.064 0.000 1.116 48 R HN 0.740 nan 8.270 nan 0.000 0.524 49 H N -0.298 118.753 119.070 -0.031 0.000 3.087 49 H HA 0.147 4.703 4.556 -0.000 0.000 0.348 49 H C -0.057 175.264 175.328 -0.011 0.000 1.092 49 H CA -0.267 55.771 56.048 -0.018 0.000 1.285 49 H CB 1.645 31.396 29.762 -0.019 0.000 1.875 49 H HN -0.224 nan 8.280 nan 0.000 0.512 50 E N 2.958 123.273 120.200 0.191 0.000 2.160 50 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 50 E C 1.965 178.654 176.600 0.148 0.000 0.991 50 E CA 1.697 58.185 56.400 0.148 0.000 0.810 50 E CB 0.151 29.883 29.700 0.054 0.000 0.742 50 E HN 0.638 nan 8.360 nan 0.000 0.466 51 A N 1.157 124.143 122.820 0.278 0.000 1.865 51 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 51 A C 2.419 179.915 177.584 -0.147 0.000 1.191 51 A CA 2.181 54.157 52.037 -0.101 0.000 0.623 51 A CB -1.112 17.729 19.000 -0.264 0.000 0.826 51 A HN 0.320 nan 8.150 nan 0.000 0.444 52 A N -0.279 122.531 122.820 -0.017 0.000 1.908 52 A HA 0.085 4.404 4.320 -0.000 0.000 0.218 52 A C 2.539 180.135 177.584 0.020 0.000 1.181 52 A CA 2.476 54.527 52.037 0.024 0.000 0.627 52 A CB -1.145 17.837 19.000 -0.029 0.000 0.818 52 A HN 1.201 nan 8.150 nan 0.000 0.445 53 A N -0.565 122.285 122.820 0.050 0.000 1.883 53 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 53 A C 2.448 180.048 177.584 0.025 0.000 1.186 53 A CA 2.132 54.218 52.037 0.082 0.000 0.624 53 A CB -1.454 17.624 19.000 0.130 0.000 0.822 53 A HN 0.783 nan 8.150 nan 0.000 0.444 54 G N -1.570 107.237 108.800 0.011 0.000 2.402 54 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 54 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 54 G C 1.465 176.344 174.900 -0.035 0.000 1.162 54 G CA 1.062 46.199 45.100 0.063 0.000 0.777 54 G HN 0.657 nan 8.290 nan 0.000 0.539 55 H N 0.735 119.810 119.070 0.009 0.000 2.457 55 H HA 0.121 4.677 4.556 -0.000 0.000 0.294 55 H C 2.833 178.062 175.328 -0.165 0.000 1.064 55 H CA 0.898 56.915 56.048 -0.052 0.000 1.330 55 H CB -0.379 29.350 29.762 -0.055 0.000 1.395 55 H HN 0.393 nan 8.280 nan 0.000 0.541 56 A N 1.189 123.913 122.820 -0.160 0.000 1.898 56 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 56 A C 2.715 179.825 177.584 -0.790 0.000 1.181 56 A CA 1.591 53.315 52.037 -0.523 0.000 0.620 56 A CB -0.792 17.799 19.000 -0.683 0.000 0.819 56 A HN 0.409 nan 8.150 nan 0.000 0.442 57 A N -0.009 122.460 122.820 -0.585 0.000 1.908 57 A HA -0.221 4.098 4.320 -0.000 0.000 0.218 57 A C 1.906 179.394 177.584 -0.160 0.000 1.181 57 A CA 1.787 53.624 52.037 -0.334 0.000 0.627 57 A CB -0.624 18.236 19.000 -0.233 0.000 0.818 57 A HN 0.653 nan 8.150 nan 0.000 0.445 58 E N -0.823 119.312 120.200 -0.110 0.000 2.058 58 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 58 E C 2.188 178.759 176.600 -0.048 0.000 0.997 58 E CA 0.956 57.341 56.400 -0.025 0.000 0.801 58 E CB -0.443 29.289 29.700 0.053 0.000 0.746 58 E HN 0.614 nan 8.360 nan 0.000 0.450 59 G N 0.372 109.113 108.800 -0.099 0.000 2.418 59 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 59 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 59 G C 1.410 176.268 174.900 -0.070 0.000 1.158 59 G CA 0.837 45.874 45.100 -0.105 0.000 0.771 59 G HN 0.276 nan 8.290 nan 0.000 0.545 60 Y N 1.938 122.102 120.300 -0.226 0.000 2.165 60 Y HA -0.071 4.479 4.550 -0.000 0.000 0.286 60 Y C 2.926 178.797 175.900 -0.047 0.000 1.155 60 Y CA 1.739 59.772 58.100 -0.113 0.000 1.164 60 Y CB -0.216 38.216 38.460 -0.047 0.000 0.978 60 Y HN 0.256 nan 8.280 nan 0.000 0.513 61 A N 0.369 123.256 122.820 0.112 0.000 1.873 61 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 61 A C 2.249 179.811 177.584 -0.037 0.000 1.186 61 A CA 1.664 53.728 52.037 0.045 0.000 0.616 61 A CB -0.600 18.440 19.000 0.067 0.000 0.823 61 A HN 0.510 nan 8.150 nan 0.000 0.442 62 R N -0.544 119.930 120.500 -0.043 0.000 2.096 62 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 62 R C 2.243 178.497 176.300 -0.076 0.000 1.127 62 R CA 1.309 57.374 56.100 -0.059 0.000 0.968 62 R CB -0.333 29.925 30.300 -0.070 0.000 0.861 62 R HN 0.509 nan 8.270 nan 0.000 0.440 63 A N -0.192 122.569 122.820 -0.099 0.000 2.030 63 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 63 A C 2.004 179.507 177.584 -0.134 0.000 1.164 63 A CA 1.002 52.976 52.037 -0.104 0.000 0.697 63 A CB 0.004 18.942 19.000 -0.103 0.000 0.827 63 A HN 0.414 nan 8.150 nan 0.000 0.457 64 G N -1.930 106.750 108.800 -0.200 0.000 2.986 64 G HA2 0.387 4.347 3.960 -0.000 0.000 0.213 64 G HA3 0.387 4.347 3.960 -0.000 0.000 0.213 64 G C 0.807 175.620 174.900 -0.144 0.000 1.156 64 G CA 0.571 45.532 45.100 -0.230 0.000 0.763 64 G HN 1.454 nan 8.290 nan 0.000 0.547 65 A N -0.355 122.404 122.820 -0.101 0.000 2.687 65 A HA -0.167 4.152 4.320 -0.000 0.000 0.299 65 A C 0.539 178.096 177.584 -0.046 0.000 1.497 65 A CA 1.468 53.470 52.037 -0.058 0.000 0.751 65 A CB -1.821 17.151 19.000 -0.047 0.000 1.048 65 A HN 0.437 nan 8.150 nan 0.000 0.464 66 K N -1.519 118.858 120.400 -0.040 0.000 2.378 66 K HA 0.714 5.034 4.320 -0.000 0.000 0.244 66 K C -0.283 176.361 176.600 0.073 0.000 1.039 66 K CA -1.123 55.172 56.287 0.013 0.000 0.863 66 K CB 1.420 33.921 32.500 0.002 0.000 1.326 66 K HN 0.459 nan 8.250 nan 0.000 0.460 67 L N 0.892 122.181 121.223 0.109 0.000 2.416 67 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 67 L C -0.048 176.945 176.870 0.205 0.000 1.161 67 L CA 0.641 55.550 54.840 0.116 0.000 0.845 67 L CB 0.769 42.879 42.059 0.085 0.000 1.119 67 L HN 0.675 nan 8.230 nan 0.000 0.464 68 G N 4.289 113.176 108.800 0.144 0.000 2.400 68 G HA2 0.602 4.562 3.960 -0.000 0.000 0.333 68 G HA3 0.602 4.562 3.960 -0.000 0.000 0.333 68 G C -1.555 173.335 174.900 -0.017 0.000 1.143 68 G CA -0.502 44.681 45.100 0.138 0.000 0.914 68 G HN 0.570 nan 8.290 nan 0.000 0.480 69 V N 1.009 120.907 119.914 -0.026 0.000 2.443 69 V HA 0.699 4.819 4.120 -0.000 0.000 0.293 69 V C 0.263 176.313 176.094 -0.073 0.000 1.021 69 V CA -0.817 61.430 62.300 -0.087 0.000 0.848 69 V CB 1.117 32.895 31.823 -0.076 0.000 0.998 69 V HN 1.116 nan 8.190 nan 0.000 0.424 70 A N 5.378 128.089 122.820 -0.182 0.000 2.325 70 A HA 0.925 5.245 4.320 -0.000 0.000 0.333 70 A C -0.923 176.660 177.584 -0.000 0.000 1.155 70 A CA -0.612 51.370 52.037 -0.092 0.000 0.814 70 A CB 1.393 20.256 19.000 -0.228 0.000 1.206 70 A HN 0.829 nan 8.150 nan 0.000 0.482 71 L N 3.609 124.860 121.223 0.047 0.000 2.446 71 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 71 L C -1.125 175.805 176.870 0.101 0.000 0.975 71 L CA -0.676 54.192 54.840 0.047 0.000 0.848 71 L CB 1.508 43.539 42.059 -0.046 0.000 1.225 71 L HN 0.743 nan 8.230 nan 0.000 0.410 72 V N 0.539 120.522 119.914 0.114 0.000 2.962 72 V HA 0.621 4.740 4.120 -0.000 0.000 0.313 72 V C -0.096 176.026 176.094 0.047 0.000 1.099 72 V CA -0.546 61.812 62.300 0.096 0.000 0.971 72 V CB 1.822 33.710 31.823 0.109 0.000 1.028 72 V HN 0.666 nan 8.190 nan 0.000 0.430 73 T N 1.872 116.416 114.554 -0.017 0.000 2.816 73 T HA 0.649 4.998 4.350 -0.000 0.000 0.282 73 T C 0.617 175.225 174.700 -0.153 0.000 0.993 73 T CA 0.436 62.466 62.100 -0.117 0.000 0.994 73 T CB 0.953 69.703 68.868 -0.197 0.000 1.025 73 T HN 1.754 nan 8.240 nan 0.000 0.529 74 A N 1.249 123.871 122.820 -0.330 0.000 2.507 74 A HA 0.519 4.839 4.320 -0.000 0.000 0.235 74 A C 1.476 178.912 177.584 -0.246 0.000 1.070 74 A CA 0.544 52.382 52.037 -0.332 0.000 0.768 74 A CB -1.226 17.429 19.000 -0.575 0.000 1.011 74 A HN 1.861 nan 8.150 nan 0.000 0.502 75 G N 1.189 109.917 108.800 -0.120 0.000 2.559 75 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.282 75 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.282 75 G C 1.497 176.402 174.900 0.009 0.000 1.177 75 G CA 1.066 46.130 45.100 -0.059 0.000 0.960 75 G HN 1.998 nan 8.290 nan 0.000 0.540 76 G N 0.886 109.658 108.800 -0.047 0.000 2.443 76 G HA2 0.271 4.231 3.960 -0.000 0.000 0.219 76 G HA3 0.271 4.231 3.960 -0.000 0.000 0.219 76 G C 1.848 176.712 174.900 -0.060 0.000 1.131 76 G CA 2.052 47.122 45.100 -0.051 0.000 0.775 76 G HN 1.737 nan 8.290 nan 0.000 0.547 77 G N 0.821 109.587 108.800 -0.057 0.000 2.459 77 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 77 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 77 G C 1.593 176.497 174.900 0.007 0.000 1.183 77 G CA 1.041 46.118 45.100 -0.038 0.000 0.776 77 G HN 0.383 nan 8.290 nan 0.000 0.552 78 F N 2.667 122.562 119.950 -0.092 0.000 2.102 78 F HA -0.131 4.395 4.527 -0.000 0.000 0.298 78 F C 3.035 178.782 175.800 -0.088 0.000 1.105 78 F CA 2.532 60.480 58.000 -0.085 0.000 1.239 78 F CB -0.780 38.161 39.000 -0.100 0.000 0.991 78 F HN 0.231 nan 8.300 nan 0.000 0.474 79 T N -1.465 112.951 114.554 -0.229 0.000 2.833 79 T HA -0.179 4.170 4.350 -0.000 0.000 0.269 79 T C 1.704 176.222 174.700 -0.302 0.000 1.054 79 T CA 1.449 63.336 62.100 -0.355 0.000 1.135 79 T CB -0.753 68.061 68.868 -0.090 0.000 0.869 79 T HN 0.284 nan 8.240 nan 0.000 0.466 80 N N 2.097 120.690 118.700 -0.179 0.000 2.453 80 N HA 0.131 4.871 4.740 -0.000 0.000 0.183 80 N C 1.820 177.262 175.510 -0.113 0.000 1.041 80 N CA 1.087 54.097 53.050 -0.066 0.000 0.900 80 N CB -0.449 38.023 38.487 -0.026 0.000 0.961 80 N HN 0.689 nan 8.380 nan 0.000 0.443 81 A N -0.034 122.626 122.820 -0.267 0.000 2.251 81 A HA 0.121 4.441 4.320 -0.000 0.000 0.209 81 A C 2.167 179.469 177.584 -0.470 0.000 1.187 81 A CA 0.095 51.955 52.037 -0.294 0.000 0.823 81 A CB -0.059 18.803 19.000 -0.229 0.000 0.846 81 A HN 0.048 nan 8.150 nan 0.000 0.486 82 V N -0.325 119.287 119.914 -0.502 0.000 2.427 82 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 82 V C 2.721 178.633 176.094 -0.304 0.000 1.051 82 V CA 2.507 64.513 62.300 -0.489 0.000 1.048 82 V CB -0.913 30.642 31.823 -0.448 0.000 0.666 82 V HN 0.591 nan 8.190 nan 0.000 0.456 83 T N 0.348 114.778 114.554 -0.206 0.000 2.708 83 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 83 T C -0.059 174.619 174.700 -0.037 0.000 1.037 83 T CA 1.903 63.952 62.100 -0.085 0.000 1.146 83 T CB -1.235 67.627 68.868 -0.009 0.000 0.865 83 T HN 0.429 nan 8.240 nan 0.000 0.435 84 P HA -0.044 nan 4.420 nan 0.000 0.216 84 P C 1.478 178.785 177.300 0.012 0.000 1.153 84 P CA 1.042 64.081 63.100 -0.101 0.000 0.858 84 P CB -0.251 31.314 31.700 -0.224 0.000 0.789 85 I N -0.746 119.606 120.570 -0.362 0.000 2.163 85 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 85 I C 2.371 178.467 176.117 -0.034 0.000 1.085 85 I CA 1.693 62.738 61.300 -0.425 0.000 1.347 85 I CB -0.980 36.599 38.000 -0.701 0.000 1.044 85 I HN -0.077 nan 8.210 nan 0.000 0.408 86 A N 0.655 123.456 122.820 -0.032 0.000 1.902 86 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 86 A C 2.199 179.906 177.584 0.205 0.000 1.181 86 A CA 2.052 54.149 52.037 0.099 0.000 0.623 86 A CB -1.021 18.002 19.000 0.039 0.000 0.818 86 A HN 0.523 nan 8.150 nan 0.000 0.443 87 N N 0.090 118.883 118.700 0.154 0.000 2.043 87 N HA -0.180 4.559 4.740 -0.000 0.000 0.193 87 N C 2.000 177.604 175.510 0.156 0.000 1.037 87 N CA 1.452 54.592 53.050 0.150 0.000 0.851 87 N CB -0.209 38.378 38.487 0.167 0.000 1.027 87 N HN 0.396 nan 8.380 nan 0.000 0.422 88 A N 1.677 124.622 122.820 0.209 0.000 1.940 88 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 88 A C 2.013 179.732 177.584 0.225 0.000 1.176 88 A CA 1.244 53.410 52.037 0.215 0.000 0.631 88 A CB -1.354 17.838 19.000 0.320 0.000 0.814 88 A HN 0.758 nan 8.150 nan 0.000 0.446 89 W N 0.250 121.597 121.300 0.078 0.000 2.332 89 W HA -0.210 4.450 4.660 -0.000 0.000 0.321 89 W C 1.315 177.868 176.519 0.056 0.000 1.219 89 W CA 1.669 59.054 57.345 0.068 0.000 1.277 89 W CB -0.376 29.118 29.460 0.056 0.000 1.161 89 W HN 0.277 nan 8.180 nan 0.000 0.476 90 L N 1.222 122.445 121.223 0.000 0.000 2.275 90 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 90 L C 1.368 178.106 176.870 -0.220 0.000 1.119 90 L CA 1.816 56.582 54.840 -0.123 0.000 0.790 90 L CB -1.436 40.681 42.059 0.097 0.000 0.919 90 L HN -0.085 nan 8.230 nan 0.000 0.443 91 D N -1.002 119.316 120.400 -0.137 0.000 2.369 91 D HA 0.096 4.735 4.640 -0.000 0.000 0.211 91 D C 0.605 176.823 176.300 -0.137 0.000 1.077 91 D CA -0.057 53.845 54.000 -0.163 0.000 0.842 91 D CB 0.200 40.952 40.800 -0.080 0.000 0.947 91 D HN -0.020 nan 8.370 nan 0.000 0.509 92 R N 0.147 120.571 120.500 -0.126 0.000 3.333 92 R HA -0.157 4.183 4.340 -0.000 0.000 0.256 92 R C -0.346 175.936 176.300 -0.029 0.000 1.010 92 R CA 0.970 57.015 56.100 -0.091 0.000 0.680 92 R CB -2.243 27.982 30.300 -0.126 0.000 1.102 92 R HN 0.175 nan 8.270 nan 0.000 0.440 93 T N -0.558 114.007 114.554 0.019 0.000 2.794 93 T HA 0.563 4.913 4.350 -0.000 0.000 0.280 93 T C -2.574 172.173 174.700 0.078 0.000 0.987 93 T CA -2.309 59.813 62.100 0.037 0.000 0.993 93 T CB 1.578 70.461 68.868 0.025 0.000 0.939 93 T HN -0.046 nan 8.240 nan 0.000 0.449 94 P HA 0.334 nan 4.420 nan 0.000 0.273 94 P C -0.939 176.392 177.300 0.051 0.000 1.428 94 P CA -0.297 62.846 63.100 0.072 0.000 0.995 94 P CB 0.396 32.129 31.700 0.054 0.000 1.286 95 V N 5.292 125.236 119.914 0.050 0.000 2.540 95 V HA 0.282 4.402 4.120 -0.000 0.000 0.302 95 V C 0.360 176.406 176.094 -0.080 0.000 1.035 95 V CA -0.922 61.312 62.300 -0.109 0.000 0.873 95 V CB 2.698 34.311 31.823 -0.350 0.000 0.992 95 V HN 0.419 nan 8.190 nan 0.000 0.428 96 L N 5.171 126.326 121.223 -0.114 0.000 2.261 96 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 96 L C -1.137 175.656 176.870 -0.129 0.000 1.059 96 L CA -0.205 54.624 54.840 -0.018 0.000 0.816 96 L CB 0.379 42.450 42.059 0.019 0.000 1.191 96 L HN 0.535 nan 8.230 nan 0.000 0.431 97 F N 5.632 125.627 119.950 0.075 0.000 2.404 97 F HA 0.332 4.859 4.527 -0.000 0.000 0.358 97 F C 0.132 175.967 175.800 0.058 0.000 1.120 97 F CA -0.310 57.730 58.000 0.066 0.000 1.144 97 F CB 0.921 39.965 39.000 0.075 0.000 1.133 97 F HN 0.266 nan 8.300 nan 0.000 0.495 98 L N 3.678 125.007 121.223 0.177 0.000 2.280 98 L HA 0.474 4.814 4.340 -0.000 0.000 0.287 98 L C 0.156 177.102 176.870 0.126 0.000 1.023 98 L CA -0.334 54.576 54.840 0.116 0.000 0.819 98 L CB 1.642 43.735 42.059 0.057 0.000 1.212 98 L HN 0.525 nan 8.230 nan 0.000 0.420 99 T N 2.026 116.640 114.554 0.100 0.000 2.863 99 T HA 0.630 4.980 4.350 -0.000 0.000 0.285 99 T C 0.215 174.926 174.700 0.018 0.000 1.009 99 T CA -0.385 61.764 62.100 0.082 0.000 0.989 99 T CB 1.528 70.470 68.868 0.124 0.000 1.004 99 T HN 0.674 nan 8.240 nan 0.000 0.455 100 G N 2.083 110.883 108.800 0.000 0.000 2.606 100 G HA2 0.535 4.495 3.960 -0.000 0.000 0.252 100 G HA3 0.535 4.495 3.960 -0.000 0.000 0.252 100 G C -0.206 174.652 174.900 -0.071 0.000 1.206 100 G CA 0.025 45.112 45.100 -0.021 0.000 0.861 100 G HN 1.140 nan 8.290 nan 0.000 0.561 101 S N -1.105 114.580 115.700 -0.025 0.000 2.688 101 S HA 0.737 5.207 4.470 -0.000 0.000 0.275 101 S C 0.149 174.809 174.600 0.099 0.000 1.175 101 S CA -0.211 57.959 58.200 -0.049 0.000 0.818 101 S CB 1.037 64.181 63.200 -0.092 0.000 1.157 101 S HN 1.399 nan 8.310 nan 0.000 0.482 102 G N 0.366 109.218 108.800 0.087 0.000 2.491 102 G HA2 0.495 4.455 3.960 -0.000 0.000 0.238 102 G HA3 0.495 4.455 3.960 -0.000 0.000 0.238 102 G C 0.504 175.527 174.900 0.205 0.000 1.277 102 G CA -0.174 45.049 45.100 0.206 0.000 0.851 102 G HN 1.403 nan 8.290 nan 0.000 0.573 103 A N 1.480 124.462 122.820 0.270 0.000 2.561 103 A HA 0.179 4.499 4.320 -0.000 0.000 0.234 103 A C 1.591 179.214 177.584 0.066 0.000 1.055 103 A CA -0.101 52.025 52.037 0.147 0.000 0.756 103 A CB 0.130 19.170 19.000 0.067 0.000 0.986 103 A HN 0.733 nan 8.150 nan 0.000 0.505 104 L N 2.057 123.298 121.223 0.031 0.000 2.056 104 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 104 L C 1.849 178.717 176.870 -0.004 0.000 1.078 104 L CA 1.238 56.081 54.840 0.006 0.000 0.749 104 L CB -0.593 41.461 42.059 -0.007 0.000 0.901 104 L HN 0.916 nan 8.230 nan 0.000 0.433 105 R N 1.256 121.747 120.500 -0.016 0.000 2.784 105 R HA -0.049 4.291 4.340 -0.000 0.000 0.266 105 R C 0.228 176.520 176.300 -0.013 0.000 1.044 105 R CA 0.289 56.374 56.100 -0.024 0.000 1.151 105 R CB -0.385 29.887 30.300 -0.046 0.000 1.037 105 R HN 0.353 nan 8.270 nan 0.000 0.478 106 D N -1.827 118.565 120.400 -0.012 0.000 2.733 106 D HA -0.296 4.344 4.640 -0.000 0.000 0.232 106 D C -0.740 175.570 176.300 0.016 0.000 1.161 106 D CA 1.601 55.601 54.000 0.001 0.000 0.653 106 D CB -1.400 39.400 40.800 0.000 0.000 1.052 106 D HN 0.829 nan 8.370 nan 0.000 0.424 107 D N -0.246 120.160 120.400 0.009 0.000 2.414 107 D HA 0.296 4.936 4.640 -0.000 0.000 0.242 107 D C 0.608 176.911 176.300 0.005 0.000 1.129 107 D CA 0.501 54.506 54.000 0.008 0.000 0.885 107 D CB 0.610 41.408 40.800 -0.003 0.000 1.198 107 D HN 0.287 nan 8.370 nan 0.000 0.437 108 E N 1.133 121.336 120.200 0.005 0.000 2.553 108 E HA -0.193 4.156 4.350 -0.000 0.000 0.264 108 E C -0.116 176.487 176.600 0.006 0.000 1.068 108 E CA 1.301 57.702 56.400 0.002 0.000 0.774 108 E CB -1.761 27.937 29.700 -0.004 0.000 1.349 108 E HN 0.527 nan 8.360 nan 0.000 0.404 109 T N -2.813 111.748 114.554 0.013 0.000 3.215 109 T HA 0.237 4.587 4.350 -0.000 0.000 0.271 109 T C 0.543 175.254 174.700 0.018 0.000 1.012 109 T CA 0.089 62.198 62.100 0.014 0.000 0.899 109 T CB 0.073 68.951 68.868 0.017 0.000 1.089 109 T HN 0.168 nan 8.240 nan 0.000 0.552 110 N N 1.074 119.784 118.700 0.016 0.000 2.721 110 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 110 N C -0.002 175.524 175.510 0.026 0.000 1.072 110 N CA 1.302 54.362 53.050 0.016 0.000 0.710 110 N CB -1.692 36.802 38.487 0.012 0.000 0.993 110 N HN 0.651 nan 8.380 nan 0.000 0.547 111 T N -0.365 114.213 114.554 0.039 0.000 2.884 111 T HA 0.501 4.851 4.350 -0.000 0.000 0.277 111 T C 0.329 175.069 174.700 0.066 0.000 0.976 111 T CA -0.766 61.369 62.100 0.059 0.000 0.956 111 T CB 0.848 69.766 68.868 0.083 0.000 1.113 111 T HN 0.193 nan 8.240 nan 0.000 0.554 112 L N 2.825 124.101 121.223 0.088 0.000 2.584 112 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 112 L C 0.975 177.887 176.870 0.069 0.000 1.195 112 L CA 1.158 56.045 54.840 0.078 0.000 0.920 112 L CB -0.434 41.687 42.059 0.102 0.000 1.173 112 L HN 0.941 nan 8.230 nan 0.000 0.489 113 Q N 1.350 121.147 119.800 -0.005 0.000 2.362 113 Q HA -0.265 4.075 4.340 -0.000 0.000 0.220 113 Q C 0.118 176.074 176.000 -0.073 0.000 0.713 113 Q CA 1.038 56.788 55.803 -0.088 0.000 1.345 113 Q CB -1.818 26.765 28.738 -0.258 0.000 1.570 113 Q HN 0.874 nan 8.270 nan 0.000 0.701 114 A N -0.699 122.118 122.820 -0.005 0.000 2.263 114 A HA 0.772 5.091 4.320 -0.000 0.000 0.318 114 A C 1.313 178.889 177.584 -0.014 0.000 1.111 114 A CA 0.457 52.495 52.037 0.002 0.000 0.901 114 A CB 0.849 19.880 19.000 0.051 0.000 1.280 114 A HN 0.874 nan 8.150 nan 0.000 0.503 115 G N -1.400 107.387 108.800 -0.022 0.000 2.157 115 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.248 115 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.248 115 G C 0.158 175.037 174.900 -0.034 0.000 0.979 115 G CA 0.409 45.495 45.100 -0.024 0.000 0.650 115 G HN 1.835 nan 8.290 nan 0.000 0.529 116 I N -2.122 118.419 120.570 -0.049 0.000 2.404 116 I HA 0.631 4.801 4.170 -0.000 0.000 0.293 116 I C -0.645 175.411 176.117 -0.101 0.000 0.992 116 I CA -1.048 60.221 61.300 -0.052 0.000 1.149 116 I CB 1.850 39.839 38.000 -0.020 0.000 1.315 116 I HN -0.101 nan 8.210 nan 0.000 0.446 117 D N 5.734 126.077 120.400 -0.095 0.000 2.489 117 D HA 0.054 4.693 4.640 -0.000 0.000 0.237 117 D C 0.936 177.113 176.300 -0.205 0.000 1.212 117 D CA 0.296 54.214 54.000 -0.136 0.000 1.058 117 D CB 0.758 41.502 40.800 -0.094 0.000 1.098 117 D HN 0.665 nan 8.370 nan 0.000 0.509 118 Q N 1.187 120.763 119.800 -0.372 0.000 2.124 118 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 118 Q C 2.072 177.715 176.000 -0.595 0.000 0.977 118 Q CA 0.972 56.302 55.803 -0.788 0.000 0.850 118 Q CB 0.241 28.172 28.738 -1.345 0.000 0.901 118 Q HN 0.357 nan 8.270 nan 0.000 0.429 119 V N 1.471 121.143 119.914 -0.403 0.000 2.332 119 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 119 V C 1.403 177.392 176.094 -0.175 0.000 1.055 119 V CA 1.234 63.367 62.300 -0.279 0.000 1.038 119 V CB -1.021 30.643 31.823 -0.265 0.000 0.651 119 V HN 0.373 nan 8.190 nan 0.000 0.450 123 A N 1.345 124.090 122.820 -0.125 0.000 1.917 123 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 123 A C 0.012 177.458 177.584 -0.230 0.000 1.182 123 A CA 2.381 54.333 52.037 -0.142 0.000 0.633 123 A CB -1.636 17.311 19.000 -0.089 0.000 0.819 123 A HN 0.430 nan 8.150 nan 0.000 0.448 124 P HA 0.004 nan 4.420 nan 0.000 0.234 124 P C 0.613 177.520 177.300 -0.655 0.000 1.167 124 P CA 0.879 63.801 63.100 -0.297 0.000 0.763 124 P CB -0.113 31.481 31.700 -0.176 0.000 0.835 125 I N -5.227 114.868 120.570 -0.791 0.000 3.578 125 I HA 0.338 4.508 4.170 -0.000 0.000 0.321 125 I C -0.700 174.879 176.117 -0.896 0.000 1.510 125 I CA -0.574 59.944 61.300 -1.303 0.000 1.002 125 I CB 0.360 37.991 38.000 -0.615 0.000 1.427 125 I HN -0.268 nan 8.210 nan 0.000 0.575 126 T N -3.260 110.865 114.554 -0.714 0.000 2.903 126 T HA 0.468 4.818 4.350 -0.000 0.000 0.299 126 T C 0.381 175.095 174.700 0.023 0.000 1.093 126 T CA -0.795 61.218 62.100 -0.145 0.000 1.002 126 T CB 2.805 71.652 68.868 -0.036 0.000 1.127 126 T HN 0.101 nan 8.240 nan 0.000 0.488 127 K N -0.341 120.265 120.400 0.343 0.000 2.097 127 K HA 0.063 4.382 4.320 -0.000 0.000 0.205 127 K C -0.104 176.720 176.600 0.374 0.000 1.050 127 K CA 1.039 57.561 56.287 0.390 0.000 0.938 127 K CB 0.122 32.834 32.500 0.354 0.000 0.718 127 K HN 0.627 nan 8.250 nan 0.000 0.442 128 W N -0.677 120.684 121.300 0.101 0.000 3.217 128 W HA 0.500 5.160 4.660 -0.000 0.000 0.323 128 W C -2.093 174.471 176.519 0.076 0.000 1.216 128 W CA -1.014 56.375 57.345 0.073 0.000 1.194 128 W CB 1.593 31.093 29.460 0.068 0.000 1.397 128 W HN -0.123 nan 8.180 nan 0.000 0.537 129 A N 3.967 126.505 122.820 -0.470 0.000 2.437 129 A HA 0.676 4.995 4.320 -0.000 0.000 0.293 129 A C -2.201 174.991 177.584 -0.653 0.000 1.038 129 A CA -0.365 51.388 52.037 -0.472 0.000 0.708 129 A CB 1.430 20.298 19.000 -0.220 0.000 1.251 129 A HN 0.857 nan 8.150 nan 0.000 0.409 130 H N 0.250 118.840 119.070 -0.799 0.000 3.079 130 H HA 0.639 5.195 4.556 -0.000 0.000 0.356 130 H C -0.908 174.185 175.328 -0.391 0.000 1.221 130 H CA -0.385 55.264 56.048 -0.665 0.000 1.185 130 H CB 1.370 30.490 29.762 -1.070 0.000 1.882 130 H HN 0.767 nan 8.280 nan 0.000 0.543 131 R N 3.853 123.915 120.500 -0.730 0.000 2.338 131 R HA 0.555 4.895 4.340 -0.000 0.000 0.317 131 R C -0.875 175.247 176.300 -0.297 0.000 0.968 131 R CA -0.664 55.187 56.100 -0.416 0.000 0.849 131 R CB 0.848 30.938 30.300 -0.350 0.000 1.128 131 R HN 0.388 nan 8.270 nan 0.000 0.448 135 T N 0.933 115.409 114.554 -0.131 0.000 2.699 135 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 135 T C 1.452 176.134 174.700 -0.029 0.000 1.036 135 T CA 2.477 64.547 62.100 -0.049 0.000 1.147 135 T CB -0.207 68.643 68.868 -0.030 0.000 0.862 135 T HN 0.765 nan 8.240 nan 0.000 0.446 136 E N 0.568 120.726 120.200 -0.070 0.000 2.267 136 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 136 E C 1.746 178.433 176.600 0.145 0.000 0.998 136 E CA 0.968 57.382 56.400 0.022 0.000 0.830 136 E CB -0.386 29.333 29.700 0.031 0.000 0.751 136 E HN 0.729 nan 8.360 nan 0.000 0.491 137 H N -0.699 118.402 119.070 0.051 0.000 2.548 137 H HA 0.130 4.686 4.556 -0.000 0.000 0.268 137 H C 1.714 177.086 175.328 0.073 0.000 0.975 137 H CA -0.072 56.015 56.048 0.066 0.000 1.195 137 H CB 0.154 29.968 29.762 0.087 0.000 1.397 137 H HN 0.113 nan 8.280 nan 0.000 0.572 138 I N 1.339 122.010 120.570 0.168 0.000 2.091 138 I HA -0.228 3.942 4.170 -0.000 0.000 0.239 138 I C -0.600 175.581 176.117 0.107 0.000 1.061 138 I CA 1.344 62.718 61.300 0.123 0.000 1.317 138 I CB -1.082 36.967 38.000 0.082 0.000 1.031 138 I HN 0.217 nan 8.210 nan 0.000 0.401 139 P HA -0.203 nan 4.420 nan 0.000 0.214 139 P C 1.319 178.659 177.300 0.067 0.000 1.163 139 P CA 1.697 64.835 63.100 0.063 0.000 0.883 139 P CB -0.237 31.492 31.700 0.048 0.000 0.788 140 R N -0.839 119.704 120.500 0.072 0.000 2.115 140 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 140 R C 1.687 178.030 176.300 0.071 0.000 1.111 140 R CA 1.307 57.437 56.100 0.051 0.000 0.976 140 R CB -1.376 28.939 30.300 0.025 0.000 0.870 140 R HN 0.104 nan 8.270 nan 0.000 0.445 141 L N 1.378 122.678 121.223 0.127 0.000 2.095 141 L HA 0.078 4.418 4.340 -0.000 0.000 0.204 141 L C 1.288 178.292 176.870 0.222 0.000 1.080 141 L CA 0.692 55.658 54.840 0.210 0.000 0.759 141 L CB -0.424 41.799 42.059 0.274 0.000 0.914 141 L HN -0.021 nan 8.230 nan 0.000 0.439 145 A N 1.190 124.147 122.820 0.228 0.000 1.933 145 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 145 A C 1.745 179.449 177.584 0.200 0.000 1.175 145 A CA 1.421 53.674 52.037 0.359 0.000 0.628 145 A CB -0.501 18.736 19.000 0.396 0.000 0.814 145 A HN 0.448 nan 8.150 nan 0.000 0.444 146 I N -1.063 119.582 120.570 0.126 0.000 2.286 146 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 146 I C 2.735 178.888 176.117 0.061 0.000 1.104 146 I CA 1.014 62.365 61.300 0.086 0.000 1.397 146 I CB -0.332 37.704 38.000 0.060 0.000 1.072 146 I HN 0.276 nan 8.210 nan 0.000 0.417 147 R N 0.856 121.378 120.500 0.036 0.000 2.083 147 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 147 R C 2.448 178.758 176.300 0.018 0.000 1.137 147 R CA 1.684 57.789 56.100 0.010 0.000 0.951 147 R CB -0.568 29.718 30.300 -0.023 0.000 0.851 147 R HN 0.377 nan 8.270 nan 0.000 0.434 148 A N 1.255 124.092 122.820 0.028 0.000 1.902 148 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 148 A C 2.403 180.047 177.584 0.101 0.000 1.181 148 A CA 1.669 53.738 52.037 0.053 0.000 0.623 148 A CB -0.629 18.419 19.000 0.080 0.000 0.818 148 A HN 0.409 nan 8.150 nan 0.000 0.443 149 A N -0.468 122.427 122.820 0.124 0.000 1.908 149 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 149 A C 2.086 179.721 177.584 0.085 0.000 1.181 149 A CA 1.598 53.711 52.037 0.127 0.000 0.627 149 A CB -0.516 18.558 19.000 0.125 0.000 0.818 149 A HN 0.472 nan 8.150 nan 0.000 0.445 150 L N 0.186 121.445 121.223 0.060 0.000 2.446 150 L HA 0.044 4.384 4.340 -0.000 0.000 0.219 150 L C 1.259 178.145 176.870 0.025 0.000 1.116 150 L CA 0.372 55.235 54.840 0.038 0.000 0.844 150 L CB -0.121 41.955 42.059 0.027 0.000 0.970 150 L HN 0.493 nan 8.230 nan 0.000 0.457 151 S N -0.281 115.436 115.700 0.027 0.000 2.687 151 S HA 0.683 5.152 4.470 -0.000 0.000 0.283 151 S C 0.031 174.643 174.600 0.019 0.000 1.170 151 S CA -0.762 57.448 58.200 0.016 0.000 1.008 151 S CB 1.939 65.144 63.200 0.009 0.000 1.026 151 S HN 0.070 nan 8.310 nan 0.000 0.541 152 A N 2.219 125.045 122.820 0.010 0.000 2.401 152 A HA 0.624 4.944 4.320 -0.000 0.000 0.259 152 A C -2.175 175.413 177.584 0.007 0.000 1.103 152 A CA -1.567 50.472 52.037 0.004 0.000 0.789 152 A CB -0.661 18.337 19.000 -0.002 0.000 1.035 152 A HN 0.747 nan 8.150 nan 0.000 0.491 153 P HA 0.309 nan 4.420 nan 0.000 0.275 153 P C -0.415 176.884 177.300 -0.002 0.000 1.228 153 P CA -0.383 62.705 63.100 -0.019 0.000 0.786 153 P CB 0.614 32.283 31.700 -0.052 0.000 0.927 154 R N 0.776 121.275 120.500 -0.001 0.000 2.784 154 R HA 0.593 4.933 4.340 -0.000 0.000 0.266 154 R C 0.989 177.317 176.300 0.046 0.000 1.044 154 R CA 1.008 57.124 56.100 0.027 0.000 1.151 154 R CB -0.254 30.057 30.300 0.018 0.000 1.037 154 R HN 0.863 nan 8.270 nan 0.000 0.478 155 G N 0.920 109.784 108.800 0.107 0.000 2.368 155 G HA2 0.331 4.290 3.960 -0.000 0.000 0.293 155 G HA3 0.331 4.290 3.960 -0.000 0.000 0.293 155 G C -3.047 172.006 174.900 0.254 0.000 1.467 155 G CA -1.037 44.174 45.100 0.185 0.000 0.804 155 G HN 0.428 nan 8.290 nan 0.000 0.535 156 P HA 0.564 nan 4.420 nan 0.000 0.276 156 P C -0.737 176.778 177.300 0.357 0.000 1.244 156 P CA -0.385 62.953 63.100 0.397 0.000 0.801 156 P CB 2.048 34.050 31.700 0.503 0.000 1.006 157 V N 2.471 122.603 119.914 0.363 0.000 2.760 157 V HA 0.331 4.451 4.120 -0.000 0.000 0.309 157 V C -0.301 175.962 176.094 0.281 0.000 1.077 157 V CA -0.735 61.744 62.300 0.299 0.000 0.910 157 V CB 2.130 34.141 31.823 0.313 0.000 1.008 157 V HN 0.416 nan 8.190 nan 0.000 0.424 158 L N 5.094 126.400 121.223 0.137 0.000 2.305 158 L HA 0.620 4.959 4.340 -0.000 0.000 0.284 158 L C -1.060 175.779 176.870 -0.053 0.000 1.013 158 L CA -0.041 54.853 54.840 0.090 0.000 0.819 158 L CB 1.152 43.232 42.059 0.036 0.000 1.227 158 L HN 0.607 nan 8.230 nan 0.000 0.417 159 L N 5.063 126.290 121.223 0.006 0.000 2.294 159 L HA 0.419 4.759 4.340 -0.000 0.000 0.283 159 L C -0.960 175.884 176.870 -0.044 0.000 1.015 159 L CA -0.410 54.400 54.840 -0.050 0.000 0.831 159 L CB 1.420 43.499 42.059 0.034 0.000 1.217 159 L HN 0.644 nan 8.230 nan 0.000 0.420 160 D N 6.034 126.363 120.400 -0.117 0.000 2.313 160 D HA 0.295 4.934 4.640 -0.000 0.000 0.239 160 D C -0.862 175.397 176.300 -0.069 0.000 1.142 160 D CA -0.229 53.697 54.000 -0.125 0.000 0.847 160 D CB 1.151 41.816 40.800 -0.224 0.000 1.082 160 D HN 0.371 nan 8.370 nan 0.000 0.480 161 L N 6.177 127.387 121.223 -0.021 0.000 2.324 161 L HA 0.349 4.689 4.340 -0.000 0.000 0.274 161 L C -2.218 174.683 176.870 0.052 0.000 1.012 161 L CA -1.860 52.993 54.840 0.022 0.000 0.859 161 L CB 1.768 43.856 42.059 0.049 0.000 1.224 161 L HN 0.159 nan 8.230 nan 0.000 0.429 162 P HA -0.115 nan 4.420 nan 0.000 0.266 162 P C 0.072 177.498 177.300 0.209 0.000 1.195 162 P CA -0.108 63.056 63.100 0.108 0.000 0.768 162 P CB 0.591 32.328 31.700 0.062 0.000 0.838 163 W N 3.792 125.117 121.300 0.041 0.000 2.318 163 W HA -0.209 4.451 4.660 -0.000 0.000 0.313 163 W C 1.630 178.140 176.519 -0.015 0.000 1.221 163 W CA 1.817 59.172 57.345 0.017 0.000 1.266 163 W CB -1.153 28.292 29.460 -0.025 0.000 1.150 163 W HN 0.423 nan 8.180 nan 0.000 0.496 164 D N 0.142 120.604 120.400 0.102 0.000 2.230 164 D HA -0.260 4.380 4.640 -0.000 0.000 0.189 164 D C 2.078 178.371 176.300 -0.011 0.000 1.006 164 D CA 2.699 56.678 54.000 -0.035 0.000 0.853 164 D CB -0.539 40.260 40.800 -0.002 0.000 0.959 164 D HN 0.012 nan 8.370 nan 0.000 0.449 165 I N 0.477 121.066 120.570 0.032 0.000 2.286 165 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 165 I C 1.560 177.702 176.117 0.043 0.000 1.115 165 I CA 0.446 61.759 61.300 0.022 0.000 1.392 165 I CB -1.050 36.965 38.000 0.027 0.000 1.065 165 I HN 0.061 nan 8.210 nan 0.000 0.418 169 Q N 2.017 121.806 119.800 -0.018 0.000 2.316 169 Q HA 0.546 4.886 4.340 -0.000 0.000 0.264 169 Q C -0.632 175.364 176.000 -0.007 0.000 0.987 169 Q CA -0.780 55.019 55.803 -0.006 0.000 0.852 169 Q CB 1.773 30.507 28.738 -0.006 0.000 1.287 169 Q HN 0.554 nan 8.270 nan 0.000 0.448 170 I N -1.866 118.705 120.570 0.001 0.000 2.957 170 I HA 0.376 4.545 4.170 -0.000 0.000 0.310 170 I C -0.377 175.745 176.117 0.008 0.000 1.063 170 I CA -1.076 60.225 61.300 0.002 0.000 1.033 170 I CB 1.193 39.194 38.000 0.002 0.000 1.230 170 I HN 0.436 nan 8.210 nan 0.000 0.447 171 D N 3.624 124.028 120.400 0.007 0.000 2.339 171 D HA 0.032 4.672 4.640 -0.000 0.000 0.256 171 D C -0.118 176.191 176.300 0.014 0.000 1.214 171 D CA -0.194 53.812 54.000 0.010 0.000 0.877 171 D CB 0.838 41.642 40.800 0.007 0.000 1.111 171 D HN 0.783 nan 8.370 nan 0.000 0.478 172 E N 3.355 123.566 120.200 0.018 0.000 2.436 172 E HA -0.068 4.282 4.350 -0.000 0.000 0.262 172 E C -0.304 176.307 176.600 0.018 0.000 1.063 172 E CA -0.206 56.206 56.400 0.021 0.000 0.944 172 E CB 0.485 30.200 29.700 0.026 0.000 0.950 172 E HN 0.423 nan 8.360 nan 0.000 0.444 173 D N 0.359 120.770 120.400 0.018 0.000 2.876 173 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 173 D C 0.787 177.096 176.300 0.015 0.000 1.014 173 D CA 1.558 55.567 54.000 0.016 0.000 1.012 173 D CB -1.645 39.163 40.800 0.014 0.000 1.080 173 D HN 0.540 nan 8.370 nan 0.000 0.438 174 S N -1.290 114.420 115.700 0.017 0.000 2.505 174 S HA 0.305 4.775 4.470 -0.000 0.000 0.216 174 S C 0.548 175.162 174.600 0.023 0.000 1.018 174 S CA 0.348 58.559 58.200 0.018 0.000 0.911 174 S CB 1.477 64.686 63.200 0.015 0.000 0.818 174 S HN 0.252 nan 8.310 nan 0.000 0.497 175 V N 1.774 121.703 119.914 0.025 0.000 2.487 175 V HA 0.665 4.785 4.120 -0.000 0.000 0.298 175 V C -1.064 175.046 176.094 0.027 0.000 1.028 175 V CA -1.197 61.122 62.300 0.031 0.000 0.860 175 V CB 1.435 33.282 31.823 0.039 0.000 0.991 175 V HN 0.397 nan 8.190 nan 0.000 0.427 176 I N 6.722 127.308 120.570 0.026 0.000 2.474 176 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 176 I C -0.127 176.003 176.117 0.021 0.000 1.048 176 I CA 0.180 61.492 61.300 0.020 0.000 1.383 176 I CB 1.317 39.327 38.000 0.017 0.000 1.412 176 I HN 0.582 nan 8.210 nan 0.000 0.531 177 I N 10.080 130.659 120.570 0.014 0.000 2.301 177 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 177 I C -1.963 174.158 176.117 0.007 0.000 1.046 177 I CA -1.592 59.715 61.300 0.010 0.000 1.282 177 I CB 0.198 38.199 38.000 0.001 0.000 1.409 177 I HN 0.457 nan 8.210 nan 0.000 0.484 178 P HA 0.139 nan 4.420 nan 0.000 0.272 178 P C -0.641 176.659 177.300 0.001 0.000 1.240 178 P CA -0.394 62.708 63.100 0.005 0.000 0.791 178 P CB 0.584 32.288 31.700 0.005 0.000 0.978 179 D N 0.070 120.469 120.400 -0.001 0.000 2.383 179 D HA 0.138 4.778 4.640 -0.000 0.000 0.248 179 D C -0.097 176.201 176.300 -0.003 0.000 1.170 179 D CA -0.160 53.838 54.000 -0.003 0.000 0.977 179 D CB 0.614 41.412 40.800 -0.003 0.000 1.120 179 D HN 0.157 nan 8.370 nan 0.000 0.481 180 L N 1.799 123.020 121.223 -0.003 0.000 2.363 180 L HA 0.137 4.476 4.340 -0.000 0.000 0.286 180 L C -0.901 175.965 176.870 -0.005 0.000 1.106 180 L CA -0.104 54.734 54.840 -0.003 0.000 0.859 180 L CB 0.124 42.182 42.059 -0.002 0.000 1.223 180 L HN 0.023 nan 8.230 nan 0.000 0.446 181 V N 6.940 126.850 119.914 -0.006 0.000 2.293 181 V HA 0.535 4.655 4.120 -0.000 0.000 0.275 181 V C -0.496 175.593 176.094 -0.008 0.000 1.021 181 V CA -0.520 61.777 62.300 -0.006 0.000 0.815 181 V CB 1.022 32.842 31.823 -0.005 0.000 1.025 181 V HN 0.635 nan 8.190 nan 0.000 0.448 182 L N 4.164 125.383 121.223 -0.007 0.000 2.614 182 L HA 0.551 4.891 4.340 -0.000 0.000 0.264 182 L C -0.096 176.768 176.870 -0.009 0.000 0.940 182 L CA 0.101 54.936 54.840 -0.008 0.000 0.903 182 L CB 2.235 44.288 42.059 -0.010 0.000 1.306 182 L HN 0.550 nan 8.230 nan 0.000 0.410 183 S N 3.264 118.967 115.700 0.005 0.000 2.558 183 S HA 0.454 4.924 4.470 -0.000 0.000 0.288 183 S C 1.358 175.934 174.600 -0.040 0.000 1.318 183 S CA 0.393 58.602 58.200 0.015 0.000 1.056 183 S CB 1.116 64.365 63.200 0.082 0.000 0.853 183 S HN 1.057 nan 8.310 nan 0.000 0.505 184 A N 4.347 127.072 122.820 -0.157 0.000 2.072 184 A HA 0.147 4.466 4.320 -0.000 0.000 0.216 184 A C 0.737 178.164 177.584 -0.262 0.000 1.156 184 A CA 0.342 52.234 52.037 -0.242 0.000 0.701 184 A CB -0.409 18.401 19.000 -0.317 0.000 0.816 184 A HN 0.945 nan 8.150 nan 0.000 0.458 185 H N 0.172 119.237 119.070 -0.008 0.000 2.562 185 H HA 0.424 4.980 4.556 -0.000 0.000 0.314 185 H C 0.790 176.110 175.328 -0.013 0.000 1.079 185 H CA -0.205 55.836 56.048 -0.011 0.000 1.349 185 H CB 0.753 30.508 29.762 -0.012 0.000 1.432 185 H HN 0.240 nan 8.280 nan 0.000 0.479 186 G N 1.275 110.130 108.800 0.091 0.000 2.651 186 G HA2 0.344 4.303 3.960 -0.000 0.000 0.260 186 G HA3 0.344 4.303 3.960 -0.000 0.000 0.260 186 G C 0.084 175.008 174.900 0.040 0.000 1.216 186 G CA -0.227 44.901 45.100 0.046 0.000 0.913 186 G HN 0.808 nan 8.290 nan 0.000 0.535 187 A N -0.183 122.649 122.820 0.020 0.000 2.466 187 A HA 0.565 4.884 4.320 -0.000 0.000 0.238 187 A C 0.855 178.438 177.584 -0.002 0.000 1.074 187 A CA 0.064 52.106 52.037 0.008 0.000 0.774 187 A CB 0.172 19.174 19.000 0.003 0.000 1.015 187 A HN 0.990 nan 8.150 nan 0.000 0.498 188 R N 1.163 121.657 120.500 -0.011 0.000 2.888 188 R HA 0.724 5.064 4.340 -0.000 0.000 0.266 188 R C -3.064 173.224 176.300 -0.020 0.000 1.020 188 R CA -1.811 54.276 56.100 -0.021 0.000 0.963 188 R CB 0.228 30.510 30.300 -0.031 0.000 1.197 188 R HN 0.392 nan 8.270 nan 0.000 0.481 189 P HA -0.045 nan 4.420 nan 0.000 0.269 189 P C -0.889 176.403 177.300 -0.014 0.000 1.215 189 P CA -0.109 62.981 63.100 -0.018 0.000 0.780 189 P CB 0.412 32.099 31.700 -0.022 0.000 0.898 190 D N 2.524 122.919 120.400 -0.008 0.000 2.488 190 D HA -0.035 4.605 4.640 -0.000 0.000 0.238 190 D C -1.387 174.911 176.300 -0.004 0.000 1.138 190 D CA -1.236 52.761 54.000 -0.005 0.000 0.873 190 D CB 0.660 41.459 40.800 -0.001 0.000 1.183 190 D HN 0.100 nan 8.370 nan 0.000 0.458 191 P HA -0.190 nan 4.420 nan 0.000 0.216 191 P C 0.922 178.226 177.300 0.006 0.000 1.154 191 P CA 1.936 65.036 63.100 0.000 0.000 0.865 191 P CB 0.071 31.771 31.700 -0.000 0.000 0.789 192 A N -0.528 122.296 122.820 0.005 0.000 1.930 192 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 192 A C 1.980 179.571 177.584 0.012 0.000 1.175 192 A CA 1.894 53.936 52.037 0.008 0.000 0.627 192 A CB -1.166 17.837 19.000 0.006 0.000 0.815 192 A HN 0.105 nan 8.150 nan 0.000 0.443 193 D N -0.318 120.088 120.400 0.010 0.000 2.097 193 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 193 D C 1.867 178.177 176.300 0.017 0.000 0.984 193 D CA 1.000 55.008 54.000 0.013 0.000 0.826 193 D CB -0.469 40.336 40.800 0.009 0.000 0.973 193 D HN 0.298 nan 8.370 nan 0.000 0.460 194 L N 1.406 122.635 121.223 0.010 0.000 1.990 194 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 194 L C 1.701 178.596 176.870 0.041 0.000 1.072 194 L CA 1.813 56.661 54.840 0.013 0.000 0.755 194 L CB -0.482 41.575 42.059 -0.003 0.000 0.889 194 L HN -0.112 nan 8.230 nan 0.000 0.432 195 D N -1.010 119.412 120.400 0.037 0.000 2.106 195 D HA -0.279 4.360 4.640 -0.000 0.000 0.191 195 D C 2.107 178.437 176.300 0.049 0.000 0.997 195 D CA 1.506 55.532 54.000 0.044 0.000 0.834 195 D CB -0.219 40.596 40.800 0.025 0.000 0.956 195 D HN 0.470 nan 8.370 nan 0.000 0.448 196 Q N -0.073 119.750 119.800 0.038 0.000 2.096 196 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 196 Q C 2.072 178.107 176.000 0.059 0.000 0.982 196 Q CA 1.543 57.370 55.803 0.039 0.000 0.850 196 Q CB -0.076 28.679 28.738 0.030 0.000 0.901 196 Q HN 0.239 nan 8.270 nan 0.000 0.422 197 A N 0.501 123.360 122.820 0.066 0.000 1.883 197 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 197 A C 1.916 179.589 177.584 0.148 0.000 1.186 197 A CA 1.206 53.296 52.037 0.089 0.000 0.624 197 A CB -0.623 18.417 19.000 0.067 0.000 0.822 197 A HN 0.373 nan 8.150 nan 0.000 0.444 198 L N -0.492 120.838 121.223 0.178 0.000 2.083 198 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 198 L C 2.967 179.972 176.870 0.225 0.000 1.083 198 L CA 1.780 56.809 54.840 0.315 0.000 0.752 198 L CB -1.358 40.894 42.059 0.321 0.000 0.899 198 L HN 0.425 nan 8.230 nan 0.000 0.433 199 A N -0.844 122.039 122.820 0.104 0.000 1.902 199 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 199 A C 2.343 179.961 177.584 0.056 0.000 1.181 199 A CA 1.541 53.600 52.037 0.036 0.000 0.623 199 A CB -0.701 18.307 19.000 0.014 0.000 0.818 199 A HN 0.381 nan 8.150 nan 0.000 0.443 200 L N -1.219 120.052 121.223 0.080 0.000 2.093 200 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 200 L C 2.500 179.436 176.870 0.109 0.000 1.085 200 L CA 0.889 55.774 54.840 0.075 0.000 0.755 200 L CB -0.391 41.709 42.059 0.069 0.000 0.904 200 L HN 0.425 nan 8.230 nan 0.000 0.435 201 L N 0.082 121.415 121.223 0.184 0.000 2.141 201 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 201 L C 2.710 179.781 176.870 0.335 0.000 1.094 201 L CA 1.584 56.581 54.840 0.263 0.000 0.763 201 L CB -0.504 41.771 42.059 0.360 0.000 0.908 201 L HN 0.152 nan 8.230 nan 0.000 0.437 202 R N 0.332 120.999 120.500 0.278 0.000 2.115 202 R HA -0.122 4.218 4.340 -0.000 0.000 0.226 202 R C 1.782 178.109 176.300 0.046 0.000 1.100 202 R CA 1.434 57.598 56.100 0.107 0.000 0.980 202 R CB -0.122 30.012 30.300 -0.277 0.000 0.875 202 R HN 0.504 nan 8.270 nan 0.000 0.445 203 K N -0.243 120.176 120.400 0.032 0.000 2.387 203 K HA 0.282 4.601 4.320 -0.000 0.000 0.198 203 K C -0.135 176.469 176.600 0.006 0.000 1.022 203 K CA 0.090 56.380 56.287 0.006 0.000 1.128 203 K CB 0.748 33.241 32.500 -0.011 0.000 0.853 203 K HN 0.070 nan 8.250 nan 0.000 0.523 204 A N 1.651 124.485 122.820 0.024 0.000 2.322 204 A HA 0.159 4.479 4.320 -0.000 0.000 0.269 204 A C 0.432 177.980 177.584 -0.060 0.000 1.094 204 A CA -0.523 51.504 52.037 -0.017 0.000 0.807 204 A CB 0.612 19.611 19.000 -0.003 0.000 1.047 204 A HN 0.385 nan 8.150 nan 0.000 0.487 205 E N 0.399 120.519 120.200 -0.134 0.000 2.166 205 E HA 0.031 4.380 4.350 -0.000 0.000 0.192 205 E C 0.172 176.511 176.600 -0.435 0.000 0.967 205 E CA 0.554 56.838 56.400 -0.193 0.000 0.840 205 E CB 0.238 29.842 29.700 -0.160 0.000 0.795 205 E HN 0.630 nan 8.360 nan 0.000 0.470 206 R N 1.264 121.389 120.500 -0.625 0.000 2.738 206 R HA 0.220 4.559 4.340 -0.000 0.000 0.280 206 R C -2.619 173.251 176.300 -0.718 0.000 1.456 206 R CA -1.380 53.871 56.100 -1.415 0.000 1.612 206 R CB 1.291 30.656 30.300 -1.558 0.000 1.286 206 R HN 0.077 nan 8.270 nan 0.000 0.660 207 P HA 0.246 nan 4.420 nan 0.000 0.276 207 P C -0.438 177.077 177.300 0.357 0.000 1.244 207 P CA -0.324 62.817 63.100 0.068 0.000 0.801 207 P CB 1.829 33.581 31.700 0.087 0.000 1.006 208 V N 2.336 122.403 119.914 0.256 0.000 2.969 208 V HA 0.362 4.482 4.120 -0.000 0.000 0.304 208 V C -0.224 175.981 176.094 0.186 0.000 1.192 208 V CA -0.573 61.905 62.300 0.297 0.000 0.962 208 V CB 2.271 34.256 31.823 0.270 0.000 1.045 208 V HN 0.370 nan 8.190 nan 0.000 0.428 209 I N 4.079 124.766 120.570 0.195 0.000 2.441 209 I HA 0.643 4.813 4.170 -0.000 0.000 0.295 209 I C -0.857 175.353 176.117 0.154 0.000 0.994 209 I CA -0.915 60.469 61.300 0.140 0.000 1.144 209 I CB 2.104 40.176 38.000 0.120 0.000 1.314 209 I HN 0.247 nan 8.210 nan 0.000 0.445 210 V N 6.950 126.912 119.914 0.079 0.000 2.443 210 V HA 0.432 4.552 4.120 -0.000 0.000 0.293 210 V C -0.136 175.967 176.094 0.013 0.000 1.021 210 V CA -0.552 61.779 62.300 0.052 0.000 0.848 210 V CB 1.665 33.467 31.823 -0.035 0.000 0.998 210 V HN 0.473 nan 8.190 nan 0.000 0.424 211 L N 4.009 125.246 121.223 0.024 0.000 2.325 211 L HA 0.883 5.223 4.340 -0.000 0.000 0.279 211 L C 0.853 177.713 176.870 -0.017 0.000 1.054 211 L CA -0.087 54.755 54.840 0.004 0.000 0.804 211 L CB 1.671 43.739 42.059 0.015 0.000 1.200 211 L HN 0.769 nan 8.230 nan 0.000 0.436 212 G N -0.461 108.319 108.800 -0.033 0.000 3.211 212 G HA2 0.320 4.280 3.960 -0.000 0.000 0.262 212 G HA3 0.320 4.280 3.960 -0.000 0.000 0.262 212 G C 0.690 175.563 174.900 -0.045 0.000 1.352 212 G CA 0.325 45.394 45.100 -0.050 0.000 1.004 212 G HN 0.614 nan 8.290 nan 0.000 0.559 213 S N -0.703 114.957 115.700 -0.066 0.000 2.383 213 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 213 S C 1.624 176.196 174.600 -0.046 0.000 1.030 213 S CA 2.081 60.244 58.200 -0.061 0.000 1.002 213 S CB -0.301 62.842 63.200 -0.094 0.000 0.829 213 S HN 0.507 nan 8.310 nan 0.000 0.467 214 E N 1.600 121.772 120.200 -0.047 0.000 2.204 214 E HA 0.009 4.358 4.350 -0.000 0.000 0.194 214 E C 2.378 178.963 176.600 -0.025 0.000 0.989 214 E CA 0.999 57.378 56.400 -0.035 0.000 0.824 214 E CB -0.589 29.090 29.700 -0.035 0.000 0.756 214 E HN 0.747 nan 8.360 nan 0.000 0.477 215 A N 0.878 123.685 122.820 -0.022 0.000 1.930 215 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 215 A C 2.406 179.983 177.584 -0.012 0.000 1.175 215 A CA 1.737 53.766 52.037 -0.013 0.000 0.627 215 A CB -0.453 18.543 19.000 -0.006 0.000 0.815 215 A HN 0.226 nan 8.150 nan 0.000 0.443 216 S N -0.820 114.871 115.700 -0.014 0.000 2.368 216 S HA -0.140 4.329 4.470 -0.000 0.000 0.224 216 S C 2.195 176.784 174.600 -0.019 0.000 1.029 216 S CA 1.002 59.194 58.200 -0.013 0.000 0.988 216 S CB -0.325 62.868 63.200 -0.012 0.000 0.838 216 S HN 0.522 nan 8.310 nan 0.000 0.462 217 R N 0.892 121.379 120.500 -0.022 0.000 2.120 217 R HA -0.041 4.298 4.340 -0.000 0.000 0.234 217 R C 2.382 178.670 176.300 -0.020 0.000 1.123 217 R CA 1.777 57.864 56.100 -0.021 0.000 0.975 217 R CB -1.684 28.605 30.300 -0.019 0.000 0.866 217 R HN 0.746 nan 8.270 nan 0.000 0.446 218 T N -3.198 111.345 114.554 -0.018 0.000 3.037 218 T HA 0.345 4.694 4.350 -0.000 0.000 0.252 218 T C 1.106 175.796 174.700 -0.016 0.000 1.073 218 T CA 0.484 62.573 62.100 -0.017 0.000 1.091 218 T CB 0.226 69.087 68.868 -0.013 0.000 0.935 218 T HN 0.226 nan 8.240 nan 0.000 0.488 219 A N 1.957 124.769 122.820 -0.015 0.000 2.748 219 A HA -0.179 4.140 4.320 -0.000 0.000 0.297 219 A C 0.632 178.212 177.584 -0.007 0.000 1.508 219 A CA 0.499 52.529 52.037 -0.013 0.000 0.799 219 A CB -1.824 17.164 19.000 -0.019 0.000 1.011 219 A HN 0.448 nan 8.150 nan 0.000 0.500 220 R N 0.045 120.543 120.500 -0.002 0.000 4.113 220 R HA 0.165 4.505 4.340 -0.000 0.000 0.179 220 R C 1.142 177.447 176.300 0.008 0.000 1.781 220 R CA 0.516 56.618 56.100 0.005 0.000 1.402 220 R CB -0.583 29.721 30.300 0.007 0.000 1.375 220 R HN 0.760 nan 8.270 nan 0.000 0.786 221 K N -0.131 120.271 120.400 0.003 0.000 2.025 221 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 221 K C 1.907 178.511 176.600 0.006 0.000 1.049 221 K CA 1.929 58.217 56.287 0.002 0.000 0.933 221 K CB 0.013 32.510 32.500 -0.005 0.000 0.714 221 K HN 0.437 nan 8.250 nan 0.000 0.438 222 T N -0.403 114.156 114.554 0.008 0.000 2.904 222 T HA -0.008 4.342 4.350 -0.000 0.000 0.267 222 T C 2.084 176.796 174.700 0.020 0.000 1.059 222 T CA 1.007 63.113 62.100 0.010 0.000 1.137 222 T CB -0.122 68.751 68.868 0.008 0.000 0.879 222 T HN 0.158 nan 8.240 nan 0.000 0.467 223 A N 1.643 124.477 122.820 0.024 0.000 1.873 223 A HA 0.198 4.518 4.320 -0.000 0.000 0.215 223 A C 2.479 180.101 177.584 0.065 0.000 1.186 223 A CA 1.289 53.345 52.037 0.033 0.000 0.616 223 A CB -1.067 17.943 19.000 0.017 0.000 0.823 223 A HN 0.536 nan 8.150 nan 0.000 0.442 224 L N 0.557 121.816 121.223 0.060 0.000 2.013 224 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 224 L C 2.927 179.844 176.870 0.080 0.000 1.073 224 L CA 2.481 57.379 54.840 0.097 0.000 0.753 224 L CB -0.425 41.667 42.059 0.055 0.000 0.890 224 L HN 0.632 nan 8.230 nan 0.000 0.432 225 S N -0.769 114.948 115.700 0.029 0.000 2.428 225 S HA -0.055 4.415 4.470 -0.000 0.000 0.230 225 S C 1.997 176.591 174.600 -0.010 0.000 1.014 225 S CA 0.690 58.886 58.200 -0.006 0.000 0.957 225 S CB -0.170 63.019 63.200 -0.018 0.000 0.784 225 S HN 0.458 nan 8.310 nan 0.000 0.499 226 A N 0.972 123.806 122.820 0.023 0.000 1.929 226 A HA 0.171 4.491 4.320 -0.000 0.000 0.216 226 A C 1.945 179.553 177.584 0.039 0.000 1.176 226 A CA 1.032 53.083 52.037 0.024 0.000 0.628 226 A CB -0.977 18.046 19.000 0.039 0.000 0.816 226 A HN 0.661 nan 8.150 nan 0.000 0.444 227 F N 0.439 120.335 119.950 -0.089 0.000 2.146 227 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 227 F C 2.097 177.787 175.800 -0.183 0.000 1.096 227 F CA 1.695 59.614 58.000 -0.136 0.000 1.275 227 F CB 0.041 38.976 39.000 -0.109 0.000 1.008 227 F HN 0.036 nan 8.300 nan 0.000 0.480 228 V N 0.766 120.471 119.914 -0.350 0.000 2.343 228 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 228 V C 2.734 178.636 176.094 -0.320 0.000 1.051 228 V CA 1.710 63.758 62.300 -0.420 0.000 1.036 228 V CB -1.433 30.258 31.823 -0.219 0.000 0.654 228 V HN 0.495 nan 8.190 nan 0.000 0.451 229 A N -0.067 122.633 122.820 -0.199 0.000 1.933 229 A HA -0.065 4.254 4.320 -0.000 0.000 0.218 229 A C 2.367 179.852 177.584 -0.166 0.000 1.175 229 A CA 1.977 53.928 52.037 -0.144 0.000 0.628 229 A CB -0.599 18.353 19.000 -0.079 0.000 0.814 229 A HN 0.563 nan 8.150 nan 0.000 0.444 230 A N -0.645 122.042 122.820 -0.223 0.000 1.970 230 A HA 0.017 4.336 4.320 -0.000 0.000 0.216 230 A C 2.312 179.621 177.584 -0.457 0.000 1.170 230 A CA 2.166 54.057 52.037 -0.243 0.000 0.645 230 A CB -0.808 18.075 19.000 -0.195 0.000 0.816 230 A HN 0.705 nan 8.150 nan 0.000 0.447 231 T N -4.954 109.195 114.554 -0.676 0.000 3.015 231 T HA 0.386 4.736 4.350 -0.000 0.000 0.250 231 T C 1.437 175.931 174.700 -0.342 0.000 1.057 231 T CA 1.103 62.730 62.100 -0.789 0.000 1.066 231 T CB -0.088 68.077 68.868 -1.171 0.000 0.959 231 T HN 1.622 nan 8.240 nan 0.000 0.488 232 G N 1.301 109.931 108.800 -0.284 0.000 2.225 232 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.267 232 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.267 232 G C 0.004 174.841 174.900 -0.105 0.000 1.024 232 G CA 0.175 45.188 45.100 -0.147 0.000 0.784 232 G HN 0.718 nan 8.290 nan 0.000 0.507 233 V N 2.407 122.206 119.914 -0.192 0.000 2.432 233 V HA 0.433 4.552 4.120 -0.000 0.000 0.275 233 V C -1.022 175.025 176.094 -0.077 0.000 1.043 233 V CA -1.437 60.818 62.300 -0.076 0.000 0.925 233 V CB 1.520 33.265 31.823 -0.130 0.000 0.985 233 V HN 0.271 nan 8.190 nan 0.000 0.466 234 P HA 0.224 nan 4.420 nan 0.000 0.271 234 P C -0.972 176.269 177.300 -0.097 0.000 1.218 234 P CA -0.038 62.983 63.100 -0.131 0.000 0.780 234 P CB 1.144 32.714 31.700 -0.215 0.000 0.901 235 V N 3.257 123.023 119.914 -0.245 0.000 2.531 235 V HA 0.423 4.542 4.120 -0.000 0.000 0.301 235 V C -0.046 175.859 176.094 -0.315 0.000 1.034 235 V CA -0.363 61.851 62.300 -0.143 0.000 0.865 235 V CB 0.975 32.740 31.823 -0.098 0.000 0.995 235 V HN 0.393 nan 8.190 nan 0.000 0.424 236 F N 1.945 121.858 119.950 -0.062 0.000 2.572 236 F HA 0.936 5.462 4.527 -0.000 0.000 0.342 236 F C 0.506 176.272 175.800 -0.056 0.000 1.064 236 F CA -0.593 57.366 58.000 -0.068 0.000 1.008 236 F CB 1.944 40.889 39.000 -0.092 0.000 1.303 236 F HN 0.632 nan 8.300 nan 0.000 0.492 237 A N 0.322 123.235 122.820 0.155 0.000 2.594 237 A HA 0.571 4.891 4.320 -0.000 0.000 0.295 237 A C -1.595 176.005 177.584 0.026 0.000 1.071 237 A CA -0.843 51.233 52.037 0.064 0.000 0.685 237 A CB 1.109 20.135 19.000 0.044 0.000 1.285 237 A HN 0.676 nan 8.150 nan 0.000 0.405 238 D N -0.114 120.271 120.400 -0.026 0.000 2.447 238 D HA 0.244 4.884 4.640 -0.000 0.000 0.265 238 D C 0.736 177.033 176.300 -0.005 0.000 1.250 238 D CA -0.141 53.791 54.000 -0.114 0.000 1.046 238 D CB -0.079 40.637 40.800 -0.140 0.000 1.095 238 D HN 0.428 nan 8.370 nan 0.000 0.555 239 Y N -0.929 119.448 120.300 0.129 0.000 2.114 239 Y HA -0.138 4.411 4.550 -0.000 0.000 0.282 239 Y C 2.450 178.453 175.900 0.171 0.000 1.165 239 Y CA 1.785 60.026 58.100 0.235 0.000 1.148 239 Y CB -0.910 37.635 38.460 0.142 0.000 0.972 239 Y HN 0.481 nan 8.280 nan 0.000 0.504 240 E N -0.268 120.040 120.200 0.181 0.000 2.204 240 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 240 E C 2.372 179.012 176.600 0.066 0.000 0.989 240 E CA 1.082 57.525 56.400 0.072 0.000 0.824 240 E CB -0.561 29.130 29.700 -0.015 0.000 0.756 240 E HN 0.412 nan 8.360 nan 0.000 0.477 241 G N -0.135 108.704 108.800 0.065 0.000 2.777 241 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.211 241 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.211 241 G C 1.338 176.276 174.900 0.063 0.000 1.149 241 G CA 0.350 45.476 45.100 0.042 0.000 0.785 241 G HN 0.298 nan 8.290 nan 0.000 0.536 242 L N 2.396 123.691 121.223 0.119 0.000 2.013 242 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 242 L C 2.226 179.122 176.870 0.045 0.000 1.073 242 L CA 1.673 56.566 54.840 0.088 0.000 0.753 242 L CB -0.902 41.230 42.059 0.122 0.000 0.890 242 L HN 0.288 nan 8.230 nan 0.000 0.432 246 S N 1.026 116.700 115.700 -0.043 0.000 2.447 246 S HA -0.043 4.427 4.470 -0.000 0.000 0.233 246 S C 1.762 176.335 174.600 -0.045 0.000 1.006 246 S CA 1.567 59.740 58.200 -0.045 0.000 0.957 246 S CB -0.047 63.133 63.200 -0.032 0.000 0.773 246 S HN 0.608 nan 8.310 nan 0.000 0.507 247 G N 0.443 109.219 108.800 -0.040 0.000 3.088 247 G HA2 0.330 4.290 3.960 -0.000 0.000 0.217 247 G HA3 0.330 4.290 3.960 -0.000 0.000 0.217 247 G C 0.284 175.156 174.900 -0.046 0.000 1.159 247 G CA -0.301 44.776 45.100 -0.038 0.000 0.760 247 G HN 0.304 nan 8.290 nan 0.000 0.550 248 L N 0.956 122.144 121.223 -0.058 0.000 2.418 248 L HA 0.320 4.659 4.340 -0.000 0.000 0.265 248 L C -2.030 174.792 176.870 -0.079 0.000 1.143 248 L CA -1.926 52.871 54.840 -0.072 0.000 0.809 248 L CB 0.828 42.834 42.059 -0.089 0.000 1.124 248 L HN -0.120 nan 8.230 nan 0.000 0.456 249 P HA 0.007 nan 4.420 nan 0.000 0.265 249 P C -0.062 177.179 177.300 -0.099 0.000 1.193 249 P CA -0.140 62.911 63.100 -0.082 0.000 0.765 249 P CB 0.529 32.182 31.700 -0.079 0.000 0.823 250 D N 1.313 121.657 120.400 -0.094 0.000 2.133 250 D HA -0.143 4.496 4.640 -0.000 0.000 0.195 250 D C 1.133 177.359 176.300 -0.123 0.000 0.997 250 D CA 1.293 55.228 54.000 -0.107 0.000 0.840 250 D CB -0.242 40.501 40.800 -0.095 0.000 0.947 250 D HN 0.453 nan 8.370 nan 0.000 0.452 254 G N 0.977 109.336 108.800 -0.734 0.000 2.448 254 G HA2 0.267 4.227 3.960 -0.000 0.000 0.218 254 G HA3 0.267 4.227 3.960 -0.000 0.000 0.218 254 G C 0.811 175.280 174.900 -0.718 0.000 1.135 254 G CA 0.958 45.292 45.100 -1.277 0.000 0.784 254 G HN 0.922 nan 8.290 nan 0.000 0.543 255 G N -0.534 108.002 108.800 -0.440 0.000 2.484 255 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.225 255 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.225 255 G C -0.111 174.813 174.900 0.041 0.000 1.250 255 G CA -0.330 44.692 45.100 -0.131 0.000 0.926 255 G HN 0.565 nan 8.290 nan 0.000 0.581 256 L N 1.300 122.588 121.223 0.109 0.000 2.426 256 L HA 0.238 4.578 4.340 -0.000 0.000 0.271 256 L C 2.376 179.380 176.870 0.223 0.000 1.169 256 L CA 0.053 54.975 54.840 0.137 0.000 0.836 256 L CB 1.256 43.386 42.059 0.119 0.000 1.112 256 L HN 0.755 nan 8.230 nan 0.000 0.465 257 V N 0.331 120.316 119.914 0.119 0.000 2.453 257 V HA -0.308 3.812 4.120 -0.000 0.000 0.252 257 V C 2.276 178.343 176.094 -0.044 0.000 1.068 257 V CA 1.877 64.168 62.300 -0.013 0.000 1.070 257 V CB -1.377 30.378 31.823 -0.112 0.000 0.664 257 V HN 1.073 nan 8.190 nan 0.000 0.461 258 Q N 3.716 123.522 119.800 0.010 0.000 2.133 258 Q HA -0.337 4.003 4.340 -0.000 0.000 0.208 258 Q C 1.701 177.774 176.000 0.122 0.000 0.991 258 Q CA 2.508 58.340 55.803 0.049 0.000 0.867 258 Q CB -1.143 27.628 28.738 0.054 0.000 0.911 258 Q HN 0.833 nan 8.270 nan 0.000 0.417 259 N N 0.371 119.174 118.700 0.173 0.000 2.575 259 N HA -0.062 4.678 4.740 -0.000 0.000 0.192 259 N C 1.066 176.784 175.510 0.347 0.000 1.200 259 N CA 0.317 53.529 53.050 0.270 0.000 0.897 259 N CB -0.010 38.646 38.487 0.281 0.000 0.990 259 N HN 0.186 nan 8.380 nan 0.000 0.449 260 L N -0.584 120.668 121.223 0.049 0.000 2.478 260 L HA 0.121 4.461 4.340 -0.000 0.000 0.223 260 L C 1.657 178.599 176.870 0.120 0.000 1.140 260 L CA 0.634 55.304 54.840 -0.283 0.000 0.842 260 L CB -1.059 40.581 42.059 -0.699 0.000 0.953 260 L HN 0.236 nan 8.230 nan 0.000 0.452 261 Y N 0.302 120.656 120.300 0.090 0.000 2.114 261 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 261 Y C 2.587 178.576 175.900 0.148 0.000 1.165 261 Y CA 2.137 60.290 58.100 0.088 0.000 1.148 261 Y CB -0.218 38.280 38.460 0.062 0.000 0.972 261 Y HN 0.371 nan 8.280 nan 0.000 0.504 262 S N -1.058 114.828 115.700 0.310 0.000 2.603 262 S HA -0.038 4.432 4.470 -0.000 0.000 0.220 262 S C 1.621 176.274 174.600 0.089 0.000 0.967 262 S CA 0.009 58.295 58.200 0.144 0.000 0.920 262 S CB -1.226 62.086 63.200 0.186 0.000 0.773 262 S HN 0.439 nan 8.310 nan 0.000 0.529 263 F N 2.255 122.195 119.950 -0.016 0.000 2.134 263 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 263 F C 2.835 178.638 175.800 0.005 0.000 1.097 263 F CA 0.992 59.008 58.000 0.027 0.000 1.264 263 F CB -0.543 38.490 39.000 0.054 0.000 1.001 263 F HN 0.352 nan 8.300 nan 0.000 0.479 264 A N -0.111 122.784 122.820 0.124 0.000 1.851 264 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 264 A C 2.197 179.785 177.584 0.006 0.000 1.195 264 A CA 1.554 53.610 52.037 0.033 0.000 0.622 264 A CB -0.625 18.344 19.000 -0.051 0.000 0.831 264 A HN 0.099 nan 8.150 nan 0.000 0.444 265 K N -0.148 120.235 120.400 -0.027 0.000 2.442 265 K HA 0.027 4.347 4.320 -0.000 0.000 0.198 265 K C 1.562 178.154 176.600 -0.013 0.000 1.044 265 K CA 0.948 57.221 56.287 -0.023 0.000 0.948 265 K CB -0.342 32.140 32.500 -0.030 0.000 0.762 265 K HN 0.461 nan 8.250 nan 0.000 0.472 266 A N 0.515 123.325 122.820 -0.018 0.000 2.275 266 A HA 0.038 4.358 4.320 -0.000 0.000 0.212 266 A C -0.118 177.466 177.584 -0.000 0.000 1.201 266 A CA 0.203 52.220 52.037 -0.033 0.000 0.843 266 A CB 0.239 19.175 19.000 -0.107 0.000 0.873 266 A HN 0.304 nan 8.150 nan 0.000 0.492 267 D N -2.725 117.689 120.400 0.024 0.000 3.068 267 D HA -0.186 4.454 4.640 -0.000 0.000 0.218 267 D C 0.580 176.929 176.300 0.080 0.000 1.145 267 D CA 1.138 55.162 54.000 0.040 0.000 0.896 267 D CB -1.412 39.403 40.800 0.026 0.000 1.105 267 D HN 0.658 nan 8.370 nan 0.000 0.423 268 A N -0.633 122.272 122.820 0.141 0.000 2.606 268 A HA 0.634 4.954 4.320 -0.000 0.000 0.290 268 A C 0.958 178.805 177.584 0.439 0.000 1.174 268 A CA 0.641 52.858 52.037 0.299 0.000 0.958 268 A CB 0.410 19.615 19.000 0.342 0.000 1.194 268 A HN 0.402 nan 8.150 nan 0.000 0.526 269 A N 1.625 124.590 122.820 0.242 0.000 2.566 269 A HA 0.471 4.790 4.320 -0.000 0.000 0.245 269 A C -2.264 175.381 177.584 0.101 0.000 1.056 269 A CA -0.578 51.569 52.037 0.182 0.000 0.757 269 A CB -0.541 18.499 19.000 0.066 0.000 0.979 269 A HN 0.309 nan 8.150 nan 0.000 0.508 270 P HA -0.039 nan 4.420 nan 0.000 0.266 270 P C 0.267 177.523 177.300 -0.073 0.000 1.186 270 P CA 0.280 63.377 63.100 -0.004 0.000 0.767 270 P CB 0.591 32.297 31.700 0.010 0.000 0.820 271 D N 1.472 121.786 120.400 -0.142 0.000 2.240 271 D HA 0.083 4.722 4.640 -0.000 0.000 0.206 271 D C 0.080 176.349 176.300 -0.050 0.000 0.963 271 D CA 0.749 54.678 54.000 -0.117 0.000 0.863 271 D CB 0.235 40.921 40.800 -0.191 0.000 0.973 271 D HN 0.215 nan 8.370 nan 0.000 0.501 272 L N 0.029 121.233 121.223 -0.031 0.000 2.545 272 L HA 0.458 4.797 4.340 -0.000 0.000 0.258 272 L C -1.928 174.962 176.870 0.033 0.000 0.942 272 L CA -0.755 54.092 54.840 0.012 0.000 0.855 272 L CB 2.207 44.279 42.059 0.023 0.000 1.374 272 L HN -0.219 nan 8.230 nan 0.000 0.411 273 V N 5.183 125.120 119.914 0.039 0.000 2.525 273 V HA 0.595 4.714 4.120 -0.000 0.000 0.299 273 V C -1.249 174.869 176.094 0.040 0.000 1.034 273 V CA -0.414 61.907 62.300 0.034 0.000 0.863 273 V CB 1.760 33.576 31.823 -0.011 0.000 0.999 273 V HN 0.813 nan 8.190 nan 0.000 0.423 277 G N 1.009 109.779 108.800 -0.049 0.000 2.179 277 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 277 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 277 G C 0.366 175.222 174.900 -0.073 0.000 0.977 277 G CA 0.272 45.340 45.100 -0.054 0.000 0.641 277 G HN 0.939 nan 8.290 nan 0.000 0.533 278 A N 0.627 123.390 122.820 -0.094 0.000 2.302 278 A HA 0.744 5.064 4.320 -0.000 0.000 0.295 278 A C 0.760 178.241 177.584 -0.173 0.000 1.235 278 A CA -0.157 51.806 52.037 -0.123 0.000 0.876 278 A CB 0.272 19.191 19.000 -0.136 0.000 1.133 278 A HN 0.491 nan 8.150 nan 0.000 0.533 279 R N 1.223 121.663 120.500 -0.101 0.000 2.528 279 R HA 0.381 4.720 4.340 -0.000 0.000 0.271 279 R C -1.041 175.187 176.300 -0.120 0.000 1.056 279 R CA -0.317 55.746 56.100 -0.060 0.000 1.117 279 R CB 0.687 31.043 30.300 0.093 0.000 1.085 279 R HN 0.657 nan 8.270 nan 0.000 0.530 280 F N 0.783 120.753 119.950 0.033 0.000 2.506 280 F HA 0.306 4.833 4.527 -0.000 0.000 0.371 280 F C 1.345 177.142 175.800 -0.005 0.000 1.078 280 F CA 1.182 59.190 58.000 0.013 0.000 1.195 280 F CB 0.930 39.946 39.000 0.025 0.000 1.099 280 F HN 0.654 nan 8.300 nan 0.000 0.548 281 G N 2.088 110.934 108.800 0.076 0.000 2.335 281 G HA2 0.159 4.119 3.960 -0.000 0.000 0.291 281 G HA3 0.159 4.119 3.960 -0.000 0.000 0.291 281 G C -0.242 174.392 174.900 -0.444 0.000 1.261 281 G CA -0.551 44.465 45.100 -0.139 0.000 0.871 281 G HN 0.581 nan 8.290 nan 0.000 0.491 282 L N 0.655 121.588 121.223 -0.484 0.000 1.997 282 L HA -0.094 4.245 4.340 -0.000 0.000 0.216 282 L C 2.193 178.924 176.870 -0.233 0.000 1.074 282 L CA 3.089 57.687 54.840 -0.402 0.000 0.763 282 L CB -0.599 41.431 42.059 -0.048 0.000 0.890 282 L HN 0.546 nan 8.230 nan 0.000 0.434 283 N N -1.045 117.638 118.700 -0.027 0.000 2.396 283 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 283 N C 1.407 176.843 175.510 -0.124 0.000 1.028 283 N CA 1.547 54.549 53.050 -0.080 0.000 0.893 283 N CB -0.346 38.085 38.487 -0.094 0.000 0.967 283 N HN 0.667 nan 8.380 nan 0.000 0.440 284 T N -3.392 111.091 114.554 -0.119 0.000 3.105 284 T HA 0.369 4.719 4.350 -0.000 0.000 0.253 284 T C 1.152 175.811 174.700 -0.069 0.000 1.047 284 T CA 0.226 62.261 62.100 -0.108 0.000 0.944 284 T CB 0.364 69.153 68.868 -0.132 0.000 1.016 284 T HN 0.217 nan 8.240 nan 0.000 0.544 285 G N 1.688 110.407 108.800 -0.135 0.000 2.149 285 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.235 285 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.235 285 G C 0.275 175.208 174.900 0.054 0.000 1.018 285 G CA 0.479 45.550 45.100 -0.049 0.000 0.728 285 G HN 0.906 nan 8.290 nan 0.000 0.508 286 H N -1.897 117.236 119.070 0.105 0.000 1.452 286 H HA -0.246 4.310 4.556 -0.000 0.000 0.090 286 H C 2.006 177.421 175.328 0.146 0.000 0.910 286 H CA 2.477 58.590 56.048 0.108 0.000 1.901 286 H CB -1.266 28.525 29.762 0.048 0.000 2.257 286 H HN 1.166 nan 8.280 nan 0.000 0.961 287 G N -0.838 108.108 108.800 0.243 0.000 3.393 287 G HA2 0.212 4.172 3.960 -0.000 0.000 0.255 287 G HA3 0.212 4.172 3.960 -0.000 0.000 0.255 287 G C 1.169 176.202 174.900 0.221 0.000 1.097 287 G CA 0.626 45.806 45.100 0.132 0.000 0.780 287 G HN 0.703 nan 8.290 nan 0.000 0.540 288 S N -0.205 115.604 115.700 0.182 0.000 2.447 288 S HA 0.209 4.679 4.470 -0.000 0.000 0.233 288 S C 2.079 176.627 174.600 -0.087 0.000 1.006 288 S CA 1.165 59.437 58.200 0.120 0.000 0.957 288 S CB -0.329 62.942 63.200 0.117 0.000 0.773 288 S HN 1.435 nan 8.310 nan 0.000 0.507 289 G N 0.942 109.621 108.800 -0.203 0.000 2.153 289 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 289 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 289 G C 0.607 175.325 174.900 -0.303 0.000 0.994 289 G CA 0.569 45.333 45.100 -0.560 0.000 0.698 289 G HN 0.597 nan 8.290 nan 0.000 0.521 290 Q N -1.122 118.595 119.800 -0.139 0.000 2.331 290 Q HA 0.298 4.638 4.340 -0.000 0.000 0.203 290 Q C 2.467 178.408 176.000 -0.098 0.000 0.944 290 Q CA 1.041 56.776 55.803 -0.114 0.000 0.892 290 Q CB 0.168 28.913 28.738 0.011 0.000 0.983 290 Q HN 0.693 nan 8.270 nan 0.000 0.482 291 L N -0.731 120.450 121.223 -0.071 0.000 2.641 291 L HA 0.192 4.531 4.340 -0.000 0.000 0.207 291 L C 0.398 177.182 176.870 -0.143 0.000 1.049 291 L CA -0.089 54.688 54.840 -0.105 0.000 0.866 291 L CB 0.589 42.600 42.059 -0.081 0.000 1.264 291 L HN 0.060 nan 8.230 nan 0.000 0.483 292 I N 2.486 123.014 120.570 -0.071 0.000 2.282 292 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 292 I C -2.347 173.757 176.117 -0.022 0.000 1.090 292 I CA -2.386 58.902 61.300 -0.020 0.000 1.231 292 I CB -0.189 37.877 38.000 0.110 0.000 1.434 292 I HN -0.202 nan 8.210 nan 0.000 0.487 293 P HA 0.066 nan 4.420 nan 0.000 0.269 293 P C 0.843 178.143 177.300 -0.000 0.000 1.209 293 P CA 0.097 63.143 63.100 -0.089 0.000 0.776 293 P CB 0.509 32.183 31.700 -0.044 0.000 0.876 294 H N 0.885 119.962 119.070 0.012 0.000 2.387 294 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 294 H C 1.786 177.115 175.328 0.002 0.000 1.090 294 H CA 2.128 58.178 56.048 0.003 0.000 1.332 294 H CB -0.898 28.860 29.762 -0.008 0.000 1.386 294 H HN 0.447 nan 8.280 nan 0.000 0.516 295 S N 0.021 115.791 115.700 0.116 0.000 2.515 295 S HA 0.202 4.672 4.470 -0.000 0.000 0.231 295 S C 1.278 175.901 174.600 0.038 0.000 0.987 295 S CA 0.146 58.382 58.200 0.059 0.000 0.936 295 S CB -0.103 63.117 63.200 0.033 0.000 0.766 295 S HN 0.432 nan 8.310 nan 0.000 0.528 296 A N 1.298 124.143 122.820 0.042 0.000 2.340 296 A HA 0.469 4.788 4.320 -0.000 0.000 0.268 296 A C 0.131 177.742 177.584 0.045 0.000 1.100 296 A CA -0.658 51.396 52.037 0.029 0.000 0.803 296 A CB 0.301 19.313 19.000 0.020 0.000 1.043 296 A HN 0.502 nan 8.150 nan 0.000 0.488 297 Q N 0.464 120.285 119.800 0.034 0.000 2.304 297 Q HA 0.416 4.756 4.340 -0.000 0.000 0.260 297 Q C -0.947 175.089 176.000 0.061 0.000 0.965 297 Q CA -0.124 55.706 55.803 0.045 0.000 0.898 297 Q CB 1.320 30.079 28.738 0.035 0.000 1.196 297 Q HN 0.477 nan 8.270 nan 0.000 0.402 298 V N 4.934 124.897 119.914 0.082 0.000 2.417 298 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 298 V C -0.237 175.908 176.094 0.085 0.000 1.024 298 V CA -0.596 61.763 62.300 0.098 0.000 0.861 298 V CB 1.500 33.428 31.823 0.175 0.000 0.985 298 V HN 0.631 nan 8.190 nan 0.000 0.436 299 I N 4.645 125.256 120.570 0.067 0.000 2.328 299 I HA 0.429 4.599 4.170 -0.000 0.000 0.287 299 I C -0.023 176.119 176.117 0.042 0.000 1.012 299 I CA -0.081 61.253 61.300 0.058 0.000 1.195 299 I CB 1.291 39.326 38.000 0.058 0.000 1.350 299 I HN 0.602 nan 8.210 nan 0.000 0.464 300 Q N 5.602 125.430 119.800 0.047 0.000 2.322 300 Q HA 0.571 4.910 4.340 -0.000 0.000 0.265 300 Q C -1.514 174.496 176.000 0.016 0.000 0.985 300 Q CA -0.670 55.147 55.803 0.023 0.000 0.849 300 Q CB 2.286 31.058 28.738 0.057 0.000 1.274 300 Q HN 0.484 nan 8.270 nan 0.000 0.449 301 V N 4.031 123.942 119.914 -0.005 0.000 2.378 301 V HA 0.406 4.526 4.120 -0.000 0.000 0.288 301 V C -0.930 175.155 176.094 -0.014 0.000 1.016 301 V CA -0.522 61.774 62.300 -0.008 0.000 0.840 301 V CB 1.600 33.413 31.823 -0.017 0.000 0.994 301 V HN 0.836 nan 8.190 nan 0.000 0.431 302 D N 5.095 125.493 120.400 -0.005 0.000 2.857 302 D HA 0.517 5.156 4.640 -0.000 0.000 0.227 302 D C -1.963 174.335 176.300 -0.003 0.000 1.192 302 D CA -1.305 52.691 54.000 -0.008 0.000 0.857 302 D CB 3.488 44.287 40.800 -0.001 0.000 1.645 302 D HN 0.235 nan 8.370 nan 0.000 0.482 303 P HA -0.026 nan 4.420 nan 0.000 0.226 303 P C -0.276 177.026 177.300 0.003 0.000 1.153 303 P CA 0.665 63.763 63.100 -0.003 0.000 0.777 303 P CB 0.289 31.984 31.700 -0.007 0.000 0.794 304 D N -0.286 120.116 120.400 0.004 0.000 2.349 304 D HA 0.370 5.010 4.640 -0.000 0.000 0.232 304 D C 1.057 177.371 176.300 0.024 0.000 1.071 304 D CA -0.702 53.306 54.000 0.013 0.000 0.832 304 D CB 1.499 42.302 40.800 0.004 0.000 1.086 304 D HN -0.158 nan 8.370 nan 0.000 0.504 305 A N 3.114 125.951 122.820 0.028 0.000 2.070 305 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 305 A C 2.320 179.929 177.584 0.042 0.000 1.159 305 A CA 0.816 52.873 52.037 0.033 0.000 0.656 305 A CB -0.572 18.445 19.000 0.028 0.000 0.800 305 A HN 0.767 nan 8.150 nan 0.000 0.453 306 C N -0.319 119.006 119.300 0.043 0.000 2.413 306 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 306 C C 2.528 177.557 174.990 0.065 0.000 1.265 306 C CA 1.179 60.226 59.018 0.050 0.000 1.752 306 C CB -0.890 26.880 27.740 0.050 0.000 1.998 306 C HN 0.596 nan 8.230 nan 0.000 0.489 307 E N 0.277 120.518 120.200 0.069 0.000 2.274 307 E HA 0.020 4.369 4.350 -0.000 0.000 0.194 307 E C 0.415 177.106 176.600 0.151 0.000 0.996 307 E CA 0.342 56.804 56.400 0.103 0.000 0.840 307 E CB -0.292 29.451 29.700 0.071 0.000 0.772 307 E HN 0.415 nan 8.360 nan 0.000 0.491 308 L N 1.273 122.564 121.223 0.113 0.000 2.678 308 L HA 0.079 4.419 4.340 -0.000 0.000 0.276 308 L C 1.264 178.222 176.870 0.147 0.000 1.142 308 L CA 0.974 55.892 54.840 0.131 0.000 0.961 308 L CB -0.687 41.420 42.059 0.080 0.000 1.291 308 L HN 0.263 nan 8.230 nan 0.000 0.476 309 G N 3.263 112.216 108.800 0.256 0.000 2.273 309 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.280 309 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.280 309 G C 1.315 176.183 174.900 -0.054 0.000 1.047 309 G CA 0.825 45.976 45.100 0.086 0.000 0.869 309 G HN 0.788 nan 8.290 nan 0.000 0.502 310 R N -0.671 119.864 120.500 0.059 0.000 2.096 310 R HA 0.176 4.515 4.340 -0.000 0.000 0.235 310 R C 1.913 178.153 176.300 -0.099 0.000 1.127 310 R CA 1.914 58.022 56.100 0.014 0.000 0.968 310 R CB -0.214 30.143 30.300 0.096 0.000 0.861 310 R HN 0.500 nan 8.270 nan 0.000 0.440 311 L N -0.728 120.327 121.223 -0.281 0.000 2.766 311 L HA 0.355 4.695 4.340 -0.000 0.000 0.242 311 L C 0.114 176.733 176.870 -0.418 0.000 1.136 311 L CA -0.268 54.404 54.840 -0.280 0.000 0.933 311 L CB 0.514 42.499 42.059 -0.124 0.000 1.241 311 L HN 0.289 nan 8.230 nan 0.000 0.522 312 Q N -0.314 119.125 119.800 -0.603 0.000 2.438 312 Q HA 0.392 4.732 4.340 -0.000 0.000 0.272 312 Q C -0.505 175.295 176.000 -0.334 0.000 0.994 312 Q CA -0.549 54.955 55.803 -0.498 0.000 0.887 312 Q CB 2.155 30.474 28.738 -0.698 0.000 1.432 312 Q HN 0.135 nan 8.270 nan 0.000 0.392 313 G N 3.083 111.778 108.800 -0.174 0.000 2.353 313 G HA2 0.379 4.339 3.960 -0.000 0.000 0.239 313 G HA3 0.379 4.339 3.960 -0.000 0.000 0.239 313 G C 0.023 174.917 174.900 -0.010 0.000 1.295 313 G CA 0.058 45.109 45.100 -0.081 0.000 0.884 313 G HN 0.611 nan 8.290 nan 0.000 0.537 314 I N -0.516 120.071 120.570 0.028 0.000 3.002 314 I HA 0.780 4.950 4.170 -0.000 0.000 0.310 314 I C 0.766 176.916 176.117 0.055 0.000 1.087 314 I CA -1.324 60.025 61.300 0.082 0.000 1.017 314 I CB 2.253 40.337 38.000 0.140 0.000 1.226 314 I HN 0.449 nan 8.210 nan 0.000 0.443 315 A N 3.175 126.032 122.820 0.061 0.000 2.044 315 A HA 0.441 4.761 4.320 -0.000 0.000 0.213 315 A C 0.380 177.989 177.584 0.042 0.000 1.169 315 A CA 0.653 52.716 52.037 0.044 0.000 0.724 315 A CB 0.106 19.132 19.000 0.043 0.000 0.840 315 A HN 0.661 nan 8.150 nan 0.000 0.463 316 L N -1.291 119.962 121.223 0.051 0.000 2.562 316 L HA 0.654 4.994 4.340 -0.000 0.000 0.266 316 L C -0.604 176.294 176.870 0.048 0.000 0.949 316 L CA -0.008 54.858 54.840 0.043 0.000 0.879 316 L CB 1.479 43.562 42.059 0.041 0.000 1.278 316 L HN 0.103 nan 8.230 nan 0.000 0.404 317 G N 5.904 114.729 108.800 0.042 0.000 2.533 317 G HA2 0.647 4.607 3.960 -0.000 0.000 0.310 317 G HA3 0.647 4.607 3.960 -0.000 0.000 0.310 317 G C -1.086 173.832 174.900 0.031 0.000 1.266 317 G CA -0.299 44.828 45.100 0.044 0.000 0.967 317 G HN 0.530 nan 8.290 nan 0.000 0.493 318 I N 2.761 123.346 120.570 0.025 0.000 2.382 318 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 318 I C -0.123 176.001 176.117 0.011 0.000 1.002 318 I CA -1.116 60.193 61.300 0.015 0.000 1.135 318 I CB 2.260 40.264 38.000 0.007 0.000 1.288 318 I HN 0.251 nan 8.210 nan 0.000 0.448 319 V N 7.247 127.168 119.914 0.011 0.000 2.353 319 V HA 0.877 4.997 4.120 -0.000 0.000 0.264 319 V C -0.035 176.060 176.094 0.002 0.000 1.049 319 V CA 0.267 62.572 62.300 0.008 0.000 0.896 319 V CB 0.516 32.347 31.823 0.012 0.000 1.025 319 V HN 0.865 nan 8.190 nan 0.000 0.475 320 A N 4.367 127.186 122.820 -0.002 0.000 2.599 320 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 320 A C -1.042 176.537 177.584 -0.009 0.000 1.101 320 A CA -0.621 51.412 52.037 -0.006 0.000 0.674 320 A CB 1.248 20.241 19.000 -0.012 0.000 1.277 320 A HN 0.855 nan 8.150 nan 0.000 0.419 321 D N -0.278 120.117 120.400 -0.008 0.000 2.382 321 D HA 0.359 4.999 4.640 -0.000 0.000 0.245 321 D C 1.072 177.362 176.300 -0.017 0.000 1.120 321 D CA 0.185 54.180 54.000 -0.009 0.000 0.890 321 D CB 1.212 42.011 40.800 -0.001 0.000 1.201 321 D HN 0.166 nan 8.370 nan 0.000 0.433 322 V N 3.666 123.569 119.914 -0.019 0.000 2.379 322 V HA -0.034 4.085 4.120 -0.000 0.000 0.245 322 V C 2.284 178.362 176.094 -0.026 0.000 1.044 322 V CA 2.101 64.386 62.300 -0.026 0.000 1.036 322 V CB -0.803 31.005 31.823 -0.025 0.000 0.664 322 V HN 0.832 nan 8.190 nan 0.000 0.453 323 G N 0.158 108.948 108.800 -0.016 0.000 2.440 323 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 323 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 323 G C 1.629 176.524 174.900 -0.008 0.000 1.154 323 G CA 0.998 46.092 45.100 -0.010 0.000 0.767 323 G HN 0.582 nan 8.290 nan 0.000 0.552 324 G N 0.004 108.803 108.800 -0.002 0.000 2.408 324 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 324 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 324 G C 1.840 176.717 174.900 -0.038 0.000 1.150 324 G CA 1.714 46.812 45.100 -0.003 0.000 0.776 324 G HN 0.389 nan 8.290 nan 0.000 0.542 325 T N 1.417 115.940 114.554 -0.051 0.000 2.708 325 T HA -0.052 4.297 4.350 -0.000 0.000 0.266 325 T C 2.386 176.998 174.700 -0.147 0.000 1.037 325 T CA 0.974 63.021 62.100 -0.088 0.000 1.146 325 T CB -0.182 68.641 68.868 -0.076 0.000 0.865 325 T HN 0.237 nan 8.240 nan 0.000 0.435 326 I N 0.800 121.295 120.570 -0.126 0.000 2.151 326 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 326 I C 2.717 178.745 176.117 -0.148 0.000 1.080 326 I CA 1.471 62.678 61.300 -0.154 0.000 1.339 326 I CB -0.347 37.618 38.000 -0.059 0.000 1.039 326 I HN 0.236 nan 8.210 nan 0.000 0.409 327 E N 0.769 120.921 120.200 -0.080 0.000 2.058 327 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 327 E C 2.205 178.756 176.600 -0.083 0.000 0.997 327 E CA 1.741 58.108 56.400 -0.055 0.000 0.801 327 E CB -0.194 29.493 29.700 -0.021 0.000 0.746 327 E HN 0.493 nan 8.360 nan 0.000 0.450 328 A N 0.130 122.889 122.820 -0.102 0.000 1.902 328 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 328 A C 2.191 179.689 177.584 -0.144 0.000 1.181 328 A CA 1.268 53.246 52.037 -0.099 0.000 0.623 328 A CB -0.705 18.244 19.000 -0.085 0.000 0.818 328 A HN 0.258 nan 8.150 nan 0.000 0.443 329 L N -0.624 120.426 121.223 -0.288 0.000 2.042 329 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 329 L C 3.076 179.773 176.870 -0.289 0.000 1.076 329 L CA 1.178 55.716 54.840 -0.504 0.000 0.749 329 L CB -0.602 40.696 42.059 -1.268 0.000 0.893 329 L HN 0.422 nan 8.230 nan 0.000 0.432 330 A N -0.580 122.138 122.820 -0.170 0.000 1.902 330 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 330 A C 2.268 179.872 177.584 0.032 0.000 1.181 330 A CA 1.643 53.694 52.037 0.023 0.000 0.623 330 A CB -0.458 18.562 19.000 0.032 0.000 0.818 330 A HN 0.487 nan 8.150 nan 0.000 0.443 331 Q N -0.900 118.898 119.800 -0.003 0.000 2.079 331 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 331 Q C 2.414 178.438 176.000 0.040 0.000 0.974 331 Q CA 1.287 57.098 55.803 0.013 0.000 0.840 331 Q CB -0.335 28.399 28.738 -0.008 0.000 0.898 331 Q HN 0.681 nan 8.270 nan 0.000 0.430 332 A N -0.087 122.756 122.820 0.039 0.000 2.015 332 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 332 A C 2.109 179.791 177.584 0.164 0.000 1.163 332 A CA 1.648 53.735 52.037 0.084 0.000 0.646 332 A CB -0.445 18.599 19.000 0.073 0.000 0.806 332 A HN 0.259 nan 8.150 nan 0.000 0.448 333 T N -1.111 113.549 114.554 0.178 0.000 3.054 333 T HA 0.286 4.636 4.350 -0.000 0.000 0.259 333 T C 1.971 176.787 174.700 0.194 0.000 1.092 333 T CA 0.936 63.192 62.100 0.260 0.000 1.121 333 T CB -0.220 68.809 68.868 0.269 0.000 0.912 333 T HN 0.499 nan 8.240 nan 0.000 0.489 334 A N 0.869 123.765 122.820 0.126 0.000 1.969 334 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 334 A C 2.070 179.714 177.584 0.101 0.000 1.169 334 A CA 1.035 53.130 52.037 0.096 0.000 0.635 334 A CB -0.248 18.790 19.000 0.063 0.000 0.810 334 A HN 0.326 nan 8.150 nan 0.000 0.445 335 Q N -0.149 119.714 119.800 0.106 0.000 2.373 335 Q HA 0.069 4.409 4.340 -0.000 0.000 0.206 335 Q C 0.266 176.331 176.000 0.109 0.000 0.942 335 Q CA 0.467 56.324 55.803 0.089 0.000 0.953 335 Q CB 0.164 28.941 28.738 0.065 0.000 1.022 335 Q HN 0.667 nan 8.270 nan 0.000 0.502 336 D N -0.397 120.107 120.400 0.174 0.000 3.013 336 D HA 0.215 4.855 4.640 -0.000 0.000 0.256 336 D C 0.542 176.953 176.300 0.183 0.000 1.573 336 D CA 1.392 55.516 54.000 0.206 0.000 1.197 336 D CB 0.238 41.311 40.800 0.454 0.000 1.041 336 D HN -0.067 nan 8.370 nan 0.000 0.304 337 A N -0.312 122.707 122.820 0.332 0.000 2.910 337 A HA -0.152 4.167 4.320 -0.000 0.000 0.267 337 A C 0.702 178.384 177.584 0.163 0.000 1.310 337 A CA 1.530 53.726 52.037 0.265 0.000 0.934 337 A CB -2.187 16.900 19.000 0.144 0.000 1.057 337 A HN 0.570 nan 8.150 nan 0.000 0.742 338 A N -1.069 121.768 122.820 0.028 0.000 3.056 338 A HA 0.548 4.868 4.320 -0.000 0.000 0.328 338 A C -0.564 176.860 177.584 -0.267 0.000 1.233 338 A CA -0.176 51.803 52.037 -0.096 0.000 0.965 338 A CB -0.304 18.604 19.000 -0.153 0.000 1.123 338 A HN 0.855 nan 8.150 nan 0.000 0.502 339 W N 2.217 123.525 121.300 0.013 0.000 2.600 339 W HA 0.522 5.182 4.660 -0.000 0.000 0.325 339 W C -1.934 174.591 176.519 0.009 0.000 1.034 339 W CA -1.939 55.413 57.345 0.012 0.000 1.226 339 W CB 1.039 30.502 29.460 0.006 0.000 1.379 339 W HN 0.422 nan 8.180 nan 0.000 0.466 340 P HA -0.104 nan 4.420 nan 0.000 0.267 340 P C 0.688 178.078 177.300 0.149 0.000 1.201 340 P CA 0.274 63.453 63.100 0.132 0.000 0.775 340 P CB 1.226 32.989 31.700 0.104 0.000 0.854 341 D N 1.639 122.102 120.400 0.105 0.000 2.088 341 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 341 D C 0.512 176.875 176.300 0.105 0.000 0.992 341 D CA 1.238 55.294 54.000 0.093 0.000 0.831 341 D CB 0.163 41.006 40.800 0.072 0.000 0.973 341 D HN 0.254 nan 8.370 nan 0.000 0.447 342 R N -1.918 118.660 120.500 0.130 0.000 3.922 342 R HA -0.171 4.169 4.340 -0.000 0.000 0.447 342 R C 1.459 177.855 176.300 0.161 0.000 1.035 342 R CA 0.933 57.146 56.100 0.189 0.000 1.289 342 R CB -2.591 27.830 30.300 0.202 0.000 1.906 342 R HN 0.429 nan 8.270 nan 0.000 0.540 343 G N 1.007 109.867 108.800 0.100 0.000 2.446 343 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.217 343 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.217 343 G C 1.102 176.045 174.900 0.071 0.000 1.168 343 G CA 1.222 46.359 45.100 0.061 0.000 0.771 343 G HN 0.309 nan 8.290 nan 0.000 0.551 344 D N -0.565 119.897 120.400 0.104 0.000 2.092 344 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 344 D C 1.875 178.287 176.300 0.187 0.000 0.994 344 D CA 0.785 54.857 54.000 0.120 0.000 0.828 344 D CB -0.495 40.380 40.800 0.123 0.000 0.963 344 D HN 0.573 nan 8.370 nan 0.000 0.450 345 W N 1.025 122.350 121.300 0.041 0.000 2.358 345 W HA -0.254 4.406 4.660 -0.000 0.000 0.303 345 W C 1.991 178.556 176.519 0.076 0.000 1.208 345 W CA 0.833 58.218 57.345 0.066 0.000 1.274 345 W CB -0.381 29.123 29.460 0.072 0.000 1.138 345 W HN 0.010 nan 8.180 nan 0.000 0.515 346 C N 0.916 120.150 119.300 -0.110 0.000 2.429 346 C HA -0.131 4.328 4.460 -0.000 0.000 0.277 346 C C 3.195 178.067 174.990 -0.197 0.000 1.262 346 C CA 1.738 60.606 59.018 -0.250 0.000 1.733 346 C CB -1.597 26.070 27.740 -0.122 0.000 2.010 346 C HN 0.510 nan 8.230 nan 0.000 0.483 347 A N 0.397 123.161 122.820 -0.093 0.000 1.933 347 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 347 A C 2.064 179.593 177.584 -0.091 0.000 1.175 347 A CA 2.241 54.234 52.037 -0.073 0.000 0.628 347 A CB -0.457 18.528 19.000 -0.026 0.000 0.814 347 A HN 0.555 nan 8.150 nan 0.000 0.444 348 K N -0.128 120.220 120.400 -0.088 0.000 2.025 348 K HA -0.051 4.268 4.320 -0.000 0.000 0.207 348 K C 1.709 178.185 176.600 -0.206 0.000 1.049 348 K CA 1.719 57.949 56.287 -0.095 0.000 0.933 348 K CB -0.681 31.850 32.500 0.052 0.000 0.714 348 K HN 0.167 nan 8.250 nan 0.000 0.438 349 V N 0.575 120.291 119.914 -0.330 0.000 2.282 349 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 349 V C 2.199 178.255 176.094 -0.064 0.000 1.057 349 V CA 2.444 64.654 62.300 -0.149 0.000 1.032 349 V CB -0.870 30.748 31.823 -0.341 0.000 0.645 349 V HN 0.483 nan 8.190 nan 0.000 0.447 350 T N -0.386 114.088 114.554 -0.134 0.000 2.684 350 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 350 T C 1.633 176.291 174.700 -0.069 0.000 1.036 350 T CA 1.946 63.985 62.100 -0.102 0.000 1.148 350 T CB -0.407 68.394 68.868 -0.112 0.000 0.863 350 T HN 0.528 nan 8.240 nan 0.000 0.436 351 D N 0.731 121.084 120.400 -0.079 0.000 2.144 351 D HA 0.026 4.665 4.640 -0.000 0.000 0.200 351 D C 2.139 178.399 176.300 -0.068 0.000 0.978 351 D CA 0.596 54.558 54.000 -0.064 0.000 0.833 351 D CB -0.391 40.371 40.800 -0.064 0.000 0.961 351 D HN 0.331 nan 8.370 nan 0.000 0.470 352 L N 0.687 121.834 121.223 -0.126 0.000 1.994 352 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 352 L C 2.554 179.426 176.870 0.002 0.000 1.071 352 L CA 1.258 56.005 54.840 -0.154 0.000 0.745 352 L CB -0.537 41.223 42.059 -0.498 0.000 0.892 352 L HN -0.022 nan 8.230 nan 0.000 0.431 353 A N -0.223 122.642 122.820 0.075 0.000 1.892 353 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 353 A C 2.222 179.867 177.584 0.102 0.000 1.188 353 A CA 2.230 54.342 52.037 0.124 0.000 0.631 353 A CB -0.657 18.402 19.000 0.098 0.000 0.822 353 A HN 0.453 nan 8.150 nan 0.000 0.447 354 Q N -0.046 119.782 119.800 0.047 0.000 2.119 354 Q HA -0.158 4.181 4.340 -0.000 0.000 0.201 354 Q C 1.879 177.945 176.000 0.110 0.000 0.972 354 Q CA 2.244 58.078 55.803 0.052 0.000 0.847 354 Q CB -0.401 28.335 28.738 -0.003 0.000 0.903 354 Q HN 0.758 nan 8.270 nan 0.000 0.433 355 E N -0.358 119.883 120.200 0.067 0.000 2.106 355 E HA -0.192 4.157 4.350 -0.000 0.000 0.192 355 E C 2.041 178.688 176.600 0.079 0.000 0.984 355 E CA 0.652 57.086 56.400 0.057 0.000 0.806 355 E CB -0.088 29.619 29.700 0.012 0.000 0.750 355 E HN 0.330 nan 8.360 nan 0.000 0.458 356 R N -0.293 120.267 120.500 0.099 0.000 2.073 356 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 356 R C 2.260 178.627 176.300 0.112 0.000 1.134 356 R CA 1.631 57.790 56.100 0.099 0.000 0.952 356 R CB -0.532 29.845 30.300 0.129 0.000 0.850 356 R HN 0.270 nan 8.270 nan 0.000 0.433 357 Y N 0.728 121.065 120.300 0.063 0.000 2.070 357 Y HA -0.275 4.275 4.550 -0.000 0.000 0.280 357 Y C 2.258 178.202 175.900 0.074 0.000 1.148 357 Y CA 2.282 60.449 58.100 0.111 0.000 1.125 357 Y CB -0.473 38.075 38.460 0.147 0.000 0.975 357 Y HN 0.232 nan 8.280 nan 0.000 0.492 358 A N -1.191 121.775 122.820 0.243 0.000 1.972 358 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 358 A C 2.440 180.020 177.584 -0.006 0.000 1.169 358 A CA 1.863 53.977 52.037 0.130 0.000 0.635 358 A CB -1.313 17.769 19.000 0.136 0.000 0.810 358 A HN 0.538 nan 8.150 nan 0.000 0.446 359 S N -0.303 115.385 115.700 -0.020 0.000 2.348 359 S HA -0.142 4.328 4.470 -0.000 0.000 0.221 359 S C 1.916 176.425 174.600 -0.151 0.000 1.033 359 S CA 1.559 59.724 58.200 -0.057 0.000 1.010 359 S CB -0.427 62.756 63.200 -0.028 0.000 0.891 359 S HN 0.368 nan 8.310 nan 0.000 0.442 360 I N 2.544 122.958 120.570 -0.259 0.000 2.163 360 I HA -0.136 4.033 4.170 -0.000 0.000 0.243 360 I C 2.887 178.599 176.117 -0.675 0.000 1.085 360 I CA 1.413 62.408 61.300 -0.509 0.000 1.347 360 I CB -2.077 35.442 38.000 -0.801 0.000 1.044 360 I HN 0.377 nan 8.210 nan 0.000 0.408 361 A N 0.780 123.254 122.820 -0.577 0.000 1.978 361 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 361 A C 2.431 179.944 177.584 -0.118 0.000 1.170 361 A CA 1.932 53.838 52.037 -0.219 0.000 0.636 361 A CB -0.803 18.216 19.000 0.032 0.000 0.810 361 A HN 0.443 nan 8.150 nan 0.000 0.448 362 A N -1.183 121.566 122.820 -0.118 0.000 2.168 362 A HA 0.083 4.403 4.320 -0.000 0.000 0.215 362 A C 1.001 178.536 177.584 -0.082 0.000 1.152 362 A CA 1.232 53.231 52.037 -0.064 0.000 0.716 362 A CB -0.132 18.843 19.000 -0.042 0.000 0.794 362 A HN 0.405 nan 8.150 nan 0.000 0.465 363 K N 0.476 120.783 120.400 -0.155 0.000 3.084 363 K HA 0.419 4.739 4.320 -0.000 0.000 0.172 363 K C -1.138 175.288 176.600 -0.290 0.000 1.078 363 K CA 0.152 56.355 56.287 -0.141 0.000 0.875 363 K CB 1.249 33.699 32.500 -0.083 0.000 1.064 363 K HN 0.123 nan 8.250 nan 0.000 0.597 364 S N -0.336 115.147 115.700 -0.361 0.000 2.540 364 S HA 0.642 5.112 4.470 -0.000 0.000 0.275 364 S C -0.850 173.638 174.600 -0.186 0.000 1.123 364 S CA -0.844 56.862 58.200 -0.822 0.000 0.907 364 S CB 2.032 64.424 63.200 -1.348 0.000 1.081 364 S HN 0.130 nan 8.310 nan 0.000 0.476 365 S N 0.839 116.540 115.700 0.001 0.000 2.661 365 S HA 0.773 5.243 4.470 -0.000 0.000 0.285 365 S C -0.994 173.765 174.600 0.264 0.000 1.138 365 S CA -0.639 57.685 58.200 0.206 0.000 0.855 365 S CB 1.962 65.241 63.200 0.131 0.000 1.136 365 S HN 0.573 nan 8.310 nan 0.000 0.484 366 S N 1.368 117.169 115.700 0.167 0.000 2.383 366 S HA 0.348 4.818 4.470 -0.000 0.000 0.196 366 S C -1.551 173.105 174.600 0.094 0.000 1.364 366 S CA -0.413 57.858 58.200 0.119 0.000 1.212 366 S CB 0.109 63.361 63.200 0.087 0.000 1.171 366 S HN 0.551 nan 8.310 nan 0.000 0.456 367 E N 2.344 122.605 120.200 0.101 0.000 2.079 367 E HA 0.289 4.639 4.350 -0.000 0.000 0.252 367 E C -0.073 176.631 176.600 0.173 0.000 0.992 367 E CA -0.232 56.232 56.400 0.106 0.000 0.829 367 E CB -0.027 29.721 29.700 0.081 0.000 1.158 367 E HN 0.686 nan 8.360 nan 0.000 0.435 368 H N 1.372 120.458 119.070 0.027 0.000 2.692 368 H HA -0.274 4.282 4.556 -0.000 0.000 0.316 368 H C -0.983 174.359 175.328 0.024 0.000 1.176 368 H CA 0.530 56.592 56.048 0.023 0.000 1.142 368 H CB -0.682 29.092 29.762 0.020 0.000 1.475 368 H HN 0.499 nan 8.280 nan 0.000 0.423 369 A N 0.577 123.405 122.820 0.014 0.000 2.569 369 A HA 0.416 4.736 4.320 -0.000 0.000 0.292 369 A C -1.372 176.210 177.584 -0.003 0.000 1.032 369 A CA -0.504 51.495 52.037 -0.064 0.000 0.669 369 A CB 0.900 19.840 19.000 -0.100 0.000 1.290 369 A HN 0.211 nan 8.150 nan 0.000 0.422 370 L N 1.489 122.695 121.223 -0.028 0.000 2.313 370 L HA 0.492 4.832 4.340 -0.000 0.000 0.282 370 L C 0.258 177.124 176.870 -0.007 0.000 1.092 370 L CA 0.323 55.176 54.840 0.021 0.000 0.831 370 L CB -0.071 41.978 42.059 -0.017 0.000 1.159 370 L HN 0.782 nan 8.230 nan 0.000 0.442 371 H N 6.854 125.902 119.070 -0.037 0.000 2.803 371 H HA 0.191 4.746 4.556 -0.000 0.000 0.330 371 H C -1.755 173.381 175.328 -0.320 0.000 1.057 371 H CA -0.810 55.103 56.048 -0.224 0.000 1.458 371 H CB 1.125 30.680 29.762 -0.345 0.000 1.470 371 H HN 0.561 nan 8.280 nan 0.000 0.560 372 P HA -0.207 nan 4.420 nan 0.000 0.217 372 P C 1.112 178.209 177.300 -0.340 0.000 1.148 372 P CA 1.194 63.973 63.100 -0.536 0.000 0.828 372 P CB -0.026 31.070 31.700 -1.007 0.000 0.783 373 F N -0.342 119.299 119.950 -0.514 0.000 2.102 373 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 373 F C 2.417 178.147 175.800 -0.116 0.000 1.105 373 F CA 1.562 59.399 58.000 -0.272 0.000 1.239 373 F CB -0.375 38.374 39.000 -0.418 0.000 0.991 373 F HN -0.021 nan 8.300 nan 0.000 0.474 374 H N 0.071 119.110 119.070 -0.051 0.000 2.387 374 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 374 H C 2.362 177.655 175.328 -0.057 0.000 1.090 374 H CA 1.124 57.112 56.048 -0.101 0.000 1.332 374 H CB -1.063 28.694 29.762 -0.009 0.000 1.386 374 H HN 0.413 nan 8.280 nan 0.000 0.516 375 A N 0.449 123.336 122.820 0.112 0.000 1.902 375 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 375 A C 2.715 180.416 177.584 0.195 0.000 1.181 375 A CA 1.891 54.039 52.037 0.184 0.000 0.623 375 A CB -0.607 18.411 19.000 0.030 0.000 0.818 375 A HN 0.367 nan 8.150 nan 0.000 0.443 376 S N -0.376 115.354 115.700 0.049 0.000 2.368 376 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 376 S C 2.079 176.661 174.600 -0.030 0.000 1.029 376 S CA 1.477 59.701 58.200 0.039 0.000 0.988 376 S CB -0.337 62.887 63.200 0.040 0.000 0.838 376 S HN 0.695 nan 8.310 nan 0.000 0.462 377 Q N 0.424 120.128 119.800 -0.160 0.000 2.135 377 Q HA -0.094 4.246 4.340 -0.000 0.000 0.204 377 Q C 2.229 178.190 176.000 -0.065 0.000 0.981 377 Q CA 1.356 57.076 55.803 -0.139 0.000 0.856 377 Q CB -0.372 28.247 28.738 -0.199 0.000 0.902 377 Q HN 0.362 nan 8.270 nan 0.000 0.425 378 V N 0.956 120.847 119.914 -0.038 0.000 2.407 378 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 378 V C 2.062 178.104 176.094 -0.088 0.000 1.055 378 V CA 1.519 63.754 62.300 -0.108 0.000 1.049 378 V CB -0.439 31.263 31.823 -0.201 0.000 0.662 378 V HN 0.365 nan 8.190 nan 0.000 0.455 379 I N 0.373 120.931 120.570 -0.020 0.000 2.233 379 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 379 I C 2.743 178.898 176.117 0.063 0.000 1.093 379 I CA 1.284 62.607 61.300 0.037 0.000 1.380 379 I CB -0.753 37.304 38.000 0.095 0.000 1.067 379 I HN 0.281 nan 8.210 nan 0.000 0.413 380 A N 2.324 125.154 122.820 0.016 0.000 1.927 380 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 380 A C 2.227 179.780 177.584 -0.051 0.000 1.185 380 A CA 2.392 54.422 52.037 -0.011 0.000 0.639 380 A CB -0.800 18.190 19.000 -0.017 0.000 0.820 380 A HN 0.603 nan 8.150 nan 0.000 0.451 381 K N -1.400 118.933 120.400 -0.113 0.000 2.574 381 K HA -0.112 4.208 4.320 -0.000 0.000 0.193 381 K C 0.736 177.119 176.600 -0.362 0.000 1.035 381 K CA 1.425 57.569 56.287 -0.238 0.000 0.982 381 K CB -0.330 31.991 32.500 -0.299 0.000 0.795 381 K HN 0.702 nan 8.250 nan 0.000 0.491 382 H N 0.273 119.287 119.070 -0.094 0.000 2.755 382 H HA 0.186 4.742 4.556 -0.000 0.000 0.273 382 H C -0.310 174.980 175.328 -0.063 0.000 1.055 382 H CA -0.264 55.732 56.048 -0.086 0.000 1.191 382 H CB 0.893 30.591 29.762 -0.105 0.000 1.536 382 H HN -0.063 nan 8.280 nan 0.000 0.529 383 V N 4.101 124.033 119.914 0.031 0.000 2.406 383 V HA 0.152 4.271 4.120 -0.000 0.000 0.272 383 V C 0.028 176.112 176.094 -0.016 0.000 1.043 383 V CA -0.219 62.089 62.300 0.013 0.000 0.915 383 V CB 1.171 32.995 31.823 0.002 0.000 0.988 383 V HN 0.467 nan 8.190 nan 0.000 0.466 384 D N 3.911 124.305 120.400 -0.010 0.000 2.838 384 D HA 0.425 5.065 4.640 -0.000 0.000 0.334 384 D C 0.777 177.069 176.300 -0.013 0.000 1.315 384 D CA -0.062 53.925 54.000 -0.022 0.000 0.917 384 D CB 1.206 41.989 40.800 -0.028 0.000 1.435 384 D HN 0.397 nan 8.370 nan 0.000 0.517 385 A N -0.542 122.268 122.820 -0.018 0.000 2.139 385 A HA 0.150 4.470 4.320 -0.000 0.000 0.221 385 A C 1.802 179.381 177.584 -0.009 0.000 1.159 385 A CA 1.907 53.936 52.037 -0.014 0.000 0.662 385 A CB -1.370 17.619 19.000 -0.018 0.000 0.796 385 A HN 0.673 nan 8.150 nan 0.000 0.463 386 G N -1.426 107.370 108.800 -0.007 0.000 3.088 386 G HA2 0.390 4.349 3.960 -0.000 0.000 0.212 386 G HA3 0.390 4.349 3.960 -0.000 0.000 0.212 386 G C -0.001 174.899 174.900 0.001 0.000 1.173 386 G CA 0.476 45.575 45.100 -0.003 0.000 0.779 386 G HN 0.262 nan 8.290 nan 0.000 0.540 387 V N 0.096 120.013 119.914 0.004 0.000 2.709 387 V HA 0.442 4.562 4.120 -0.000 0.000 0.308 387 V C -0.457 175.646 176.094 0.015 0.000 1.062 387 V CA -0.656 61.650 62.300 0.009 0.000 0.901 387 V CB 2.142 33.975 31.823 0.017 0.000 1.003 387 V HN 0.014 nan 8.190 nan 0.000 0.425 388 T N 3.983 118.543 114.554 0.010 0.000 2.767 388 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 388 T C -0.330 174.382 174.700 0.021 0.000 0.973 388 T CA -0.258 61.851 62.100 0.015 0.000 0.996 388 T CB 1.387 70.245 68.868 -0.016 0.000 0.927 388 T HN 0.366 nan 8.240 nan 0.000 0.456 389 V N 4.715 124.673 119.914 0.074 0.000 2.394 389 V HA 0.447 4.566 4.120 -0.000 0.000 0.282 389 V C -0.059 176.020 176.094 -0.025 0.000 1.031 389 V CA -0.662 61.692 62.300 0.090 0.000 0.881 389 V CB 1.591 33.570 31.823 0.260 0.000 0.982 389 V HN 0.661 nan 8.190 nan 0.000 0.451 390 V N 4.069 123.916 119.914 -0.111 0.000 2.417 390 V HA 0.827 4.947 4.120 -0.000 0.000 0.291 390 V C 0.264 176.199 176.094 -0.265 0.000 1.024 390 V CA -0.504 61.647 62.300 -0.248 0.000 0.861 390 V CB 1.623 33.316 31.823 -0.218 0.000 0.985 390 V HN 0.978 nan 8.190 nan 0.000 0.436 391 A N 3.320 125.885 122.820 -0.425 0.000 2.331 391 A HA 0.821 5.141 4.320 -0.000 0.000 0.320 391 A C -0.875 176.404 177.584 -0.508 0.000 1.138 391 A CA -0.413 51.415 52.037 -0.349 0.000 0.790 391 A CB 1.442 20.273 19.000 -0.282 0.000 1.206 391 A HN 0.749 nan 8.150 nan 0.000 0.470 392 D N 0.510 120.725 120.400 -0.308 0.000 2.566 392 D HA 0.603 5.243 4.640 -0.000 0.000 0.254 392 D C 0.516 176.866 176.300 0.083 0.000 1.090 392 D CA 0.771 54.595 54.000 -0.293 0.000 1.034 392 D CB 1.887 42.584 40.800 -0.171 0.000 1.434 392 D HN 1.496 nan 8.370 nan 0.000 0.509 393 G N 0.648 109.645 108.800 0.329 0.000 2.303 393 G HA2 0.207 4.167 3.960 -0.000 0.000 0.260 393 G HA3 0.207 4.167 3.960 -0.000 0.000 0.260 393 G C 0.883 175.985 174.900 0.338 0.000 1.106 393 G CA 0.878 46.165 45.100 0.312 0.000 0.900 393 G HN 1.430 nan 8.290 nan 0.000 0.495 394 A N -0.992 122.136 122.820 0.512 0.000 5.175 394 A HA -0.370 3.950 4.320 -0.000 0.000 0.332 394 A C 2.101 179.553 177.584 -0.221 0.000 1.800 394 A CA 2.571 54.681 52.037 0.122 0.000 0.707 394 A CB -1.533 17.529 19.000 0.104 0.000 1.405 394 A HN 1.394 nan 8.150 nan 0.000 0.388 395 L N -0.614 120.545 121.223 -0.107 0.000 2.043 395 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 395 L C 2.836 179.729 176.870 0.039 0.000 1.075 395 L CA 2.530 57.310 54.840 -0.100 0.000 0.752 395 L CB -1.008 41.031 42.059 -0.034 0.000 0.891 395 L HN 0.885 nan 8.230 nan 0.000 0.432 396 T N -0.590 114.021 114.554 0.096 0.000 2.624 396 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 396 T C 1.591 176.405 174.700 0.190 0.000 1.041 396 T CA 2.373 64.568 62.100 0.158 0.000 1.159 396 T CB -0.490 68.451 68.868 0.122 0.000 0.863 396 T HN 0.601 nan 8.240 nan 0.000 0.434 397 Y N 0.711 121.066 120.300 0.090 0.000 2.420 397 Y HA 0.351 4.901 4.550 -0.000 0.000 0.292 397 Y C 1.890 177.843 175.900 0.088 0.000 1.119 397 Y CA 0.121 58.257 58.100 0.061 0.000 1.229 397 Y CB -0.799 37.623 38.460 -0.063 0.000 1.026 397 Y HN 0.104 nan 8.280 nan 0.000 0.554 398 L N -1.056 119.854 121.223 -0.521 0.000 2.083 398 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 398 L C 2.099 178.878 176.870 -0.152 0.000 1.083 398 L CA 1.618 56.233 54.840 -0.375 0.000 0.752 398 L CB -0.625 41.111 42.059 -0.537 0.000 0.899 398 L HN 0.339 nan 8.230 nan 0.000 0.433 399 W N -0.355 120.951 121.300 0.010 0.000 2.379 399 W HA -0.189 4.470 4.660 -0.000 0.000 0.307 399 W C 2.403 179.018 176.519 0.161 0.000 1.200 399 W CA 0.110 57.522 57.345 0.112 0.000 1.297 399 W CB -0.341 29.182 29.460 0.104 0.000 1.140 399 W HN 0.027 nan 8.180 nan 0.000 0.507 400 L N 1.172 122.621 121.223 0.377 0.000 2.081 400 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 400 L C 2.665 179.692 176.870 0.260 0.000 1.080 400 L CA 2.521 57.535 54.840 0.291 0.000 0.754 400 L CB -1.223 41.000 42.059 0.274 0.000 0.893 400 L HN 0.035 nan 8.230 nan 0.000 0.433 401 S N -1.368 114.501 115.700 0.282 0.000 2.419 401 S HA -0.198 4.272 4.470 -0.000 0.000 0.235 401 S C 1.718 176.455 174.600 0.228 0.000 1.019 401 S CA 1.244 59.603 58.200 0.265 0.000 0.982 401 S CB -0.664 62.764 63.200 0.380 0.000 0.789 401 S HN 0.596 nan 8.310 nan 0.000 0.490 402 E N 1.303 121.677 120.200 0.289 0.000 2.347 402 E HA 0.070 4.420 4.350 -0.000 0.000 0.196 402 E C 1.306 178.161 176.600 0.426 0.000 1.008 402 E CA 0.734 57.347 56.400 0.354 0.000 0.852 402 E CB -0.293 29.679 29.700 0.453 0.000 0.783 402 E HN 0.754 nan 8.360 nan 0.000 0.505 406 R N 2.259 122.698 120.500 -0.101 0.000 2.313 406 R HA 0.219 4.559 4.340 -0.000 0.000 0.199 406 R C 0.668 176.890 176.300 -0.130 0.000 0.958 406 R CA 0.562 56.573 56.100 -0.148 0.000 1.047 406 R CB -0.439 29.713 30.300 -0.248 0.000 0.955 406 R HN 0.398 nan 8.270 nan 0.000 0.481 407 V N -1.403 118.445 119.914 -0.110 0.000 3.193 407 V HA 0.485 4.605 4.120 -0.000 0.000 0.320 407 V C -0.373 175.665 176.094 -0.093 0.000 1.112 407 V CA -1.246 60.996 62.300 -0.096 0.000 1.026 407 V CB 1.657 33.431 31.823 -0.081 0.000 1.128 407 V HN 0.024 nan 8.190 nan 0.000 0.452 408 K N 2.007 122.362 120.400 -0.074 0.000 2.842 408 K HA 0.413 4.732 4.320 -0.000 0.000 0.176 408 K C -2.846 173.730 176.600 -0.041 0.000 1.080 408 K CA -1.377 54.873 56.287 -0.062 0.000 0.954 408 K CB 1.302 33.766 32.500 -0.060 0.000 1.203 408 K HN 0.591 nan 8.250 nan 0.000 0.611 409 P HA 0.012 nan 4.420 nan 0.000 0.275 409 P C 0.708 178.014 177.300 0.010 0.000 1.228 409 P CA 0.005 63.105 63.100 0.000 0.000 0.786 409 P CB 1.329 33.047 31.700 0.029 0.000 0.927 410 G N 1.681 110.487 108.800 0.010 0.000 2.443 410 G HA2 0.139 4.099 3.960 -0.000 0.000 0.219 410 G HA3 0.139 4.099 3.960 -0.000 0.000 0.219 410 G C 0.666 175.575 174.900 0.015 0.000 1.131 410 G CA 0.606 45.709 45.100 0.004 0.000 0.775 410 G HN 0.824 nan 8.290 nan 0.000 0.547 411 G N -1.463 107.361 108.800 0.041 0.000 2.759 411 G HA2 0.467 4.427 3.960 -0.000 0.000 0.297 411 G HA3 0.467 4.427 3.960 -0.000 0.000 0.297 411 G C -2.088 172.903 174.900 0.152 0.000 1.434 411 G CA -0.723 44.412 45.100 0.058 0.000 0.980 411 G HN 0.155 nan 8.290 nan 0.000 0.531 412 F N 2.768 122.697 119.950 -0.036 0.000 2.659 412 F HA 0.615 5.142 4.527 -0.000 0.000 0.342 412 F C -1.088 174.676 175.800 -0.059 0.000 1.168 412 F CA -1.297 56.680 58.000 -0.039 0.000 1.003 412 F CB 1.342 40.340 39.000 -0.004 0.000 1.267 412 F HN 0.308 nan 8.300 nan 0.000 0.463 413 L N 7.154 128.051 121.223 -0.543 0.000 2.295 413 L HA 0.492 4.831 4.340 -0.000 0.000 0.281 413 L C -0.340 176.072 176.870 -0.764 0.000 1.018 413 L CA -0.550 53.983 54.840 -0.513 0.000 0.841 413 L CB 1.072 42.949 42.059 -0.304 0.000 1.218 413 L HN 0.645 nan 8.230 nan 0.000 0.424 414 C N 1.722 120.539 119.300 -0.805 0.000 2.871 414 C HA 0.543 5.003 4.460 -0.000 0.000 0.351 414 C C 0.459 175.067 174.990 -0.637 0.000 1.338 414 C CA -0.477 57.990 59.018 -0.918 0.000 1.686 414 C CB 1.666 28.680 27.740 -1.210 0.000 2.135 414 C HN 0.670 nan 8.230 nan 0.000 0.476 415 H N 0.279 118.965 119.070 -0.639 0.000 2.871 415 H HA 0.276 4.832 4.556 -0.000 0.000 0.355 415 H C 0.700 175.907 175.328 -0.201 0.000 1.092 415 H CA 1.277 57.081 56.048 -0.405 0.000 1.420 415 H CB 0.323 29.814 29.762 -0.452 0.000 1.400 415 H HN 0.873 nan 8.280 nan 0.000 0.604 416 G N 1.059 109.872 108.800 0.022 0.000 2.940 416 G HA2 0.051 4.011 3.960 -0.000 0.000 0.164 416 G HA3 0.051 4.011 3.960 -0.000 0.000 0.164 416 G C 0.192 175.170 174.900 0.129 0.000 1.326 416 G CA -0.354 44.745 45.100 -0.003 0.000 1.020 416 G HN 0.521 nan 8.290 nan 0.000 0.586 417 Y N -0.200 120.119 120.300 0.032 0.000 2.333 417 Y HA 0.037 4.587 4.550 -0.000 0.000 0.290 417 Y C 2.655 178.567 175.900 0.020 0.000 1.144 417 Y CA 0.069 58.188 58.100 0.031 0.000 1.228 417 Y CB -0.580 37.892 38.460 0.021 0.000 0.985 417 Y HN 0.110 nan 8.280 nan 0.000 0.542 418 L N -0.523 120.798 121.223 0.163 0.000 2.083 418 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 418 L C 1.541 178.401 176.870 -0.017 0.000 1.083 418 L CA 1.692 56.578 54.840 0.077 0.000 0.752 418 L CB -0.932 41.162 42.059 0.059 0.000 0.899 418 L HN 0.493 nan 8.230 nan 0.000 0.433 419 G N 0.365 109.117 108.800 -0.080 0.000 2.305 419 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.287 419 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.287 419 G C 0.363 175.014 174.900 -0.414 0.000 1.036 419 G CA 0.750 45.687 45.100 -0.273 0.000 0.887 419 G HN 0.454 nan 8.290 nan 0.000 0.505 423 V N 1.989 121.711 119.914 -0.320 0.000 2.660 423 V HA -0.078 4.042 4.120 -0.000 0.000 0.257 423 V C 2.819 178.658 176.094 -0.425 0.000 1.088 423 V CA 2.733 64.674 62.300 -0.599 0.000 1.106 423 V CB -0.580 30.928 31.823 -0.525 0.000 0.686 423 V HN 0.454 nan 8.190 nan 0.000 0.481 424 G N -1.290 107.368 108.800 -0.237 0.000 2.408 424 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 424 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 424 G C 1.434 176.267 174.900 -0.112 0.000 1.150 424 G CA 0.593 45.560 45.100 -0.222 0.000 0.776 424 G HN 0.437 nan 8.290 nan 0.000 0.542 425 F N 2.382 122.228 119.950 -0.174 0.000 2.051 425 F HA 0.012 4.539 4.527 -0.000 0.000 0.296 425 F C 2.721 178.437 175.800 -0.139 0.000 1.122 425 F CA 1.389 59.292 58.000 -0.161 0.000 1.201 425 F CB -0.824 38.082 39.000 -0.157 0.000 0.978 425 F HN 0.136 nan 8.300 nan 0.000 0.472 426 G N -1.340 107.571 108.800 0.185 0.000 2.442 426 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 426 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 426 G C 1.658 176.569 174.900 0.019 0.000 1.141 426 G CA 1.470 46.625 45.100 0.093 0.000 0.763 426 G HN 0.398 nan 8.290 nan 0.000 0.554 427 T N 1.644 116.184 114.554 -0.024 0.000 2.684 427 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 427 T C 2.769 177.409 174.700 -0.100 0.000 1.036 427 T CA 1.669 63.713 62.100 -0.092 0.000 1.148 427 T CB -0.360 68.409 68.868 -0.164 0.000 0.863 427 T HN 0.389 nan 8.240 nan 0.000 0.436 428 A N 0.602 123.371 122.820 -0.084 0.000 2.014 428 A HA 0.159 4.479 4.320 -0.000 0.000 0.218 428 A C 2.253 179.817 177.584 -0.032 0.000 1.163 428 A CA 0.830 52.816 52.037 -0.085 0.000 0.652 428 A CB -0.673 18.247 19.000 -0.133 0.000 0.808 428 A HN 0.486 nan 8.150 nan 0.000 0.449 429 L N -0.556 120.676 121.223 0.015 0.000 2.027 429 L HA -0.027 4.312 4.340 -0.000 0.000 0.206 429 L C 2.496 179.369 176.870 0.005 0.000 1.074 429 L CA 1.596 56.465 54.840 0.048 0.000 0.745 429 L CB -0.549 41.563 42.059 0.088 0.000 0.898 429 L HN 0.371 nan 8.230 nan 0.000 0.433 430 G N -0.921 107.795 108.800 -0.141 0.000 2.418 430 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.217 430 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.217 430 G C 1.623 176.503 174.900 -0.034 0.000 1.158 430 G CA 0.720 45.646 45.100 -0.289 0.000 0.771 430 G HN 0.572 nan 8.290 nan 0.000 0.545 431 A N 0.214 122.999 122.820 -0.059 0.000 1.902 431 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 431 A C 2.319 179.892 177.584 -0.018 0.000 1.181 431 A CA 2.312 54.318 52.037 -0.051 0.000 0.623 431 A CB -0.466 18.490 19.000 -0.074 0.000 0.818 431 A HN 0.416 nan 8.150 nan 0.000 0.443 432 Q N -0.077 119.728 119.800 0.008 0.000 2.170 432 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 432 Q C 1.821 177.852 176.000 0.052 0.000 0.976 432 Q CA 1.981 57.800 55.803 0.027 0.000 0.858 432 Q CB -0.578 28.184 28.738 0.041 0.000 0.907 432 Q HN 0.365 nan 8.270 nan 0.000 0.433 433 V N 0.538 120.515 119.914 0.106 0.000 2.295 433 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 433 V C 2.274 178.401 176.094 0.055 0.000 1.049 433 V CA 1.810 64.182 62.300 0.120 0.000 1.024 433 V CB -1.308 30.675 31.823 0.266 0.000 0.648 433 V HN 0.506 nan 8.190 nan 0.000 0.447 434 A N -0.305 122.534 122.820 0.032 0.000 1.972 434 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 434 A C 1.942 179.459 177.584 -0.111 0.000 1.169 434 A CA 1.913 53.825 52.037 -0.208 0.000 0.635 434 A CB -0.559 18.163 19.000 -0.463 0.000 0.810 434 A HN 0.537 nan 8.150 nan 0.000 0.446 435 D N -0.489 119.878 120.400 -0.056 0.000 2.269 435 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 435 D C 1.638 177.934 176.300 -0.007 0.000 0.963 435 D CA 0.447 54.427 54.000 -0.033 0.000 0.864 435 D CB -0.120 40.668 40.800 -0.020 0.000 0.936 435 D HN 0.242 nan 8.370 nan 0.000 0.505 436 L N 1.680 122.909 121.223 0.009 0.000 2.046 436 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 436 L C 2.368 179.257 176.870 0.032 0.000 1.077 436 L CA 1.532 56.390 54.840 0.030 0.000 0.747 436 L CB -0.848 41.240 42.059 0.049 0.000 0.896 436 L HN 0.160 nan 8.230 nan 0.000 0.432 437 E N -0.656 119.564 120.200 0.033 0.000 2.106 437 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 437 E C 1.840 178.449 176.600 0.014 0.000 0.984 437 E CA 1.303 57.725 56.400 0.036 0.000 0.806 437 E CB -0.461 29.272 29.700 0.054 0.000 0.750 437 E HN 0.404 nan 8.360 nan 0.000 0.458 438 A N 1.115 123.933 122.820 -0.004 0.000 2.235 438 A HA 0.312 4.632 4.320 -0.000 0.000 0.208 438 A C 1.818 179.400 177.584 -0.003 0.000 1.172 438 A CA 0.827 52.858 52.037 -0.010 0.000 0.786 438 A CB -0.626 18.358 19.000 -0.026 0.000 0.804 438 A HN 0.424 nan 8.150 nan 0.000 0.479 439 G N -0.596 108.207 108.800 0.005 0.000 2.168 439 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 439 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 439 G C 0.316 175.220 174.900 0.006 0.000 0.997 439 G CA 0.570 45.675 45.100 0.009 0.000 0.708 439 G HN 0.669 nan 8.290 nan 0.000 0.520 440 R N -0.700 119.801 120.500 0.001 0.000 2.532 440 R HA 0.632 4.972 4.340 -0.000 0.000 0.272 440 R C 0.258 176.561 176.300 0.004 0.000 1.032 440 R CA -0.894 55.206 56.100 -0.001 0.000 1.089 440 R CB 0.676 30.971 30.300 -0.008 0.000 1.098 440 R HN 0.012 nan 8.270 nan 0.000 0.526 441 R N 0.612 121.114 120.500 0.004 0.000 2.474 441 R HA 0.295 4.635 4.340 -0.000 0.000 0.295 441 R C -0.677 175.621 176.300 -0.002 0.000 0.980 441 R CA -0.351 55.752 56.100 0.004 0.000 0.934 441 R CB 1.858 32.158 30.300 0.001 0.000 1.101 441 R HN 0.589 nan 8.270 nan 0.000 0.469 442 T N 4.036 118.588 114.554 -0.003 0.000 2.767 442 T HA 0.462 4.811 4.350 -0.000 0.000 0.284 442 T C 0.258 174.944 174.700 -0.023 0.000 0.973 442 T CA -0.542 61.549 62.100 -0.016 0.000 0.996 442 T CB 0.889 69.744 68.868 -0.021 0.000 0.927 442 T HN 0.184 nan 8.240 nan 0.000 0.456 443 I N 3.866 124.419 120.570 -0.028 0.000 2.404 443 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 443 I C -0.264 175.817 176.117 -0.061 0.000 0.992 443 I CA -1.495 59.784 61.300 -0.035 0.000 1.149 443 I CB 1.183 39.173 38.000 -0.018 0.000 1.315 443 I HN 0.479 nan 8.210 nan 0.000 0.446 444 L N 7.941 129.104 121.223 -0.099 0.000 2.282 444 L HA 0.586 4.926 4.340 -0.000 0.000 0.288 444 L C -0.682 176.124 176.870 -0.107 0.000 1.033 444 L CA -0.218 54.532 54.840 -0.150 0.000 0.807 444 L CB 1.502 43.397 42.059 -0.272 0.000 1.209 444 L HN 0.312 nan 8.230 nan 0.000 0.423 445 V N 4.714 124.578 119.914 -0.083 0.000 2.334 445 V HA 0.648 4.768 4.120 -0.000 0.000 0.281 445 V C 0.146 176.202 176.094 -0.063 0.000 1.016 445 V CA -0.296 61.982 62.300 -0.036 0.000 0.832 445 V CB 0.919 32.764 31.823 0.037 0.000 0.999 445 V HN 0.919 nan 8.190 nan 0.000 0.439 446 T N 3.100 117.611 114.554 -0.072 0.000 2.865 446 T HA 0.762 5.112 4.350 -0.000 0.000 0.294 446 T C 0.096 174.765 174.700 -0.052 0.000 1.119 446 T CA 0.135 62.195 62.100 -0.067 0.000 1.007 446 T CB 1.983 70.783 68.868 -0.114 0.000 1.225 446 T HN 0.885 nan 8.240 nan 0.000 0.515 447 G N 0.420 109.204 108.800 -0.026 0.000 2.477 447 G HA2 0.399 4.359 3.960 -0.000 0.000 0.304 447 G HA3 0.399 4.359 3.960 -0.000 0.000 0.304 447 G C 0.774 175.573 174.900 -0.168 0.000 1.175 447 G CA -0.221 44.846 45.100 -0.056 0.000 0.907 447 G HN 0.804 nan 8.290 nan 0.000 0.509 448 D N 0.104 120.353 120.400 -0.251 0.000 2.178 448 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 448 D C 2.075 178.073 176.300 -0.503 0.000 0.974 448 D CA 1.183 54.897 54.000 -0.477 0.000 0.841 448 D CB -0.669 39.947 40.800 -0.306 0.000 0.953 448 D HN 0.462 nan 8.370 nan 0.000 0.478 449 G N 0.724 109.225 108.800 -0.498 0.000 2.434 449 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.214 449 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.214 449 G C 1.847 176.617 174.900 -0.216 0.000 1.202 449 G CA 1.101 45.651 45.100 -0.915 0.000 0.788 449 G HN 0.343 nan 8.290 nan 0.000 0.539 450 S N -0.326 115.442 115.700 0.115 0.000 2.419 450 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 450 S C 2.274 177.048 174.600 0.290 0.000 1.016 450 S CA 0.913 59.331 58.200 0.364 0.000 0.974 450 S CB -0.147 63.194 63.200 0.234 0.000 0.786 450 S HN 0.171 nan 8.310 nan 0.000 0.492 451 V N 1.993 121.957 119.914 0.084 0.000 2.626 451 V HA -0.059 4.060 4.120 -0.000 0.000 0.252 451 V C 2.188 178.413 176.094 0.218 0.000 1.067 451 V CA 1.825 64.196 62.300 0.118 0.000 1.081 451 V CB -0.959 30.842 31.823 -0.038 0.000 0.686 451 V HN 0.548 nan 8.190 nan 0.000 0.468 452 G N -1.881 107.003 108.800 0.139 0.000 2.470 452 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 452 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 452 G C 1.299 176.283 174.900 0.139 0.000 1.121 452 G CA 0.833 46.029 45.100 0.160 0.000 0.766 452 G HN 0.595 nan 8.290 nan 0.000 0.553 453 Y N 0.733 121.129 120.300 0.161 0.000 2.274 453 Y HA 0.025 4.574 4.550 -0.000 0.000 0.290 453 Y C 2.021 177.941 175.900 0.033 0.000 1.145 453 Y CA 1.491 59.658 58.100 0.113 0.000 1.203 453 Y CB 0.518 39.039 38.460 0.101 0.000 0.984 453 Y HN 0.150 nan 8.280 nan 0.000 0.533 454 S N -1.087 114.722 115.700 0.182 0.000 3.025 454 S HA 0.143 4.613 4.470 -0.000 0.000 0.251 454 S C 1.035 175.493 174.600 -0.236 0.000 0.954 454 S CA -0.344 57.824 58.200 -0.053 0.000 1.092 454 S CB -0.138 62.994 63.200 -0.113 0.000 1.079 454 S HN 0.334 nan 8.310 nan 0.000 0.543 455 I N 1.832 122.433 120.570 0.051 0.000 2.567 455 I HA -0.067 4.103 4.170 -0.000 0.000 0.257 455 I C 2.086 178.259 176.117 0.092 0.000 1.184 455 I CA 1.224 62.648 61.300 0.208 0.000 1.451 455 I CB -0.005 38.248 38.000 0.421 0.000 1.089 455 I HN 0.482 nan 8.210 nan 0.000 0.441 456 G N -0.144 108.621 108.800 -0.060 0.000 2.471 456 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 456 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 456 G C 1.352 175.905 174.900 -0.578 0.000 1.125 456 G CA 0.189 45.132 45.100 -0.261 0.000 0.775 456 G HN 0.326 nan 8.290 nan 0.000 0.548 457 E N 0.433 120.216 120.200 -0.695 0.000 2.401 457 E HA -0.065 4.285 4.350 -0.000 0.000 0.199 457 E C 1.823 178.092 176.600 -0.552 0.000 1.023 457 E CA 0.139 56.076 56.400 -0.771 0.000 0.859 457 E CB -0.393 28.600 29.700 -1.177 0.000 0.780 457 E HN 0.620 nan 8.360 nan 0.000 0.523 458 F N 1.197 120.932 119.950 -0.358 0.000 2.120 458 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 458 F C 2.277 177.961 175.800 -0.193 0.000 1.095 458 F CA 1.423 59.402 58.000 -0.035 0.000 1.249 458 F CB -0.147 38.969 39.000 0.193 0.000 0.995 458 F HN 0.074 nan 8.300 nan 0.000 0.480 459 D N -0.457 119.676 120.400 -0.444 0.000 2.123 459 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 459 D C 1.991 178.233 176.300 -0.097 0.000 0.992 459 D CA 2.021 55.836 54.000 -0.309 0.000 0.833 459 D CB -0.151 40.330 40.800 -0.532 0.000 0.954 459 D HN 0.119 nan 8.370 nan 0.000 0.455 460 T N 0.017 114.495 114.554 -0.127 0.000 2.777 460 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 460 T C 1.721 176.442 174.700 0.034 0.000 1.040 460 T CA 0.462 62.538 62.100 -0.039 0.000 1.141 460 T CB -0.199 68.632 68.868 -0.061 0.000 0.868 460 T HN 0.061 nan 8.240 nan 0.000 0.444 461 L N 1.058 122.321 121.223 0.065 0.000 2.043 461 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 461 L C 2.578 179.527 176.870 0.132 0.000 1.075 461 L CA 1.361 56.283 54.840 0.135 0.000 0.752 461 L CB -1.212 40.984 42.059 0.229 0.000 0.891 461 L HN 0.158 nan 8.230 nan 0.000 0.432 462 V N -1.049 118.944 119.914 0.132 0.000 2.407 462 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 462 V C 2.613 178.760 176.094 0.088 0.000 1.041 462 V CA 1.226 63.599 62.300 0.121 0.000 1.040 462 V CB -0.464 31.444 31.823 0.141 0.000 0.671 462 V HN 0.383 nan 8.190 nan 0.000 0.455 463 R N 0.267 120.810 120.500 0.071 0.000 2.081 463 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 463 R C 1.969 178.305 176.300 0.060 0.000 1.131 463 R CA 1.049 57.184 56.100 0.058 0.000 0.960 463 R CB -0.164 30.162 30.300 0.044 0.000 0.856 463 R HN 0.334 nan 8.270 nan 0.000 0.436 464 K N 0.434 120.874 120.400 0.067 0.000 2.374 464 K HA 0.063 4.382 4.320 -0.000 0.000 0.196 464 K C 0.062 176.708 176.600 0.077 0.000 1.023 464 K CA 0.153 56.483 56.287 0.071 0.000 1.103 464 K CB 0.501 33.048 32.500 0.078 0.000 0.848 464 K HN 0.213 nan 8.250 nan 0.000 0.528 465 Q N 0.701 120.549 119.800 0.081 0.000 2.463 465 Q HA -0.175 4.165 4.340 -0.000 0.000 0.299 465 Q C -0.918 175.136 176.000 0.089 0.000 1.353 465 Q CA 0.310 56.163 55.803 0.083 0.000 0.828 465 Q CB -1.902 26.878 28.738 0.069 0.000 1.157 465 Q HN 0.267 nan 8.270 nan 0.000 0.436 466 L N 1.638 122.921 121.223 0.101 0.000 2.255 466 L HA 0.303 4.642 4.340 -0.000 0.000 0.289 466 L C -1.483 175.453 176.870 0.110 0.000 1.046 466 L CA -1.873 53.028 54.840 0.101 0.000 0.816 466 L CB 0.552 42.676 42.059 0.108 0.000 1.197 466 L HN -0.063 nan 8.230 nan 0.000 0.427 467 P HA 0.049 nan 4.420 nan 0.000 0.226 467 P C -0.235 177.121 177.300 0.093 0.000 1.758 467 P CA -0.349 62.813 63.100 0.103 0.000 0.896 467 P CB 0.101 31.855 31.700 0.089 0.000 1.784 468 L N 0.850 122.131 121.223 0.097 0.000 2.426 468 L HA 0.218 4.558 4.340 -0.000 0.000 0.271 468 L C -0.105 176.813 176.870 0.080 0.000 1.169 468 L CA -0.054 54.824 54.840 0.063 0.000 0.836 468 L CB 0.058 42.142 42.059 0.042 0.000 1.112 468 L HN -0.021 nan 8.230 nan 0.000 0.465 469 I N 5.384 125.976 120.570 0.036 0.000 2.339 469 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 469 I C -0.717 175.403 176.117 0.004 0.000 0.994 469 I CA -0.651 60.680 61.300 0.052 0.000 1.191 469 I CB 1.590 39.599 38.000 0.015 0.000 1.343 469 I HN 0.250 nan 8.210 nan 0.000 0.458 470 V N 7.931 127.878 119.914 0.055 0.000 2.311 470 V HA 0.387 4.507 4.120 -0.000 0.000 0.275 470 V C 0.139 176.260 176.094 0.046 0.000 1.022 470 V CA -0.360 61.919 62.300 -0.035 0.000 0.830 470 V CB 1.094 32.860 31.823 -0.094 0.000 1.012 470 V HN 0.474 nan 8.190 nan 0.000 0.452 471 I N 6.589 127.155 120.570 -0.007 0.000 2.312 471 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 471 I C -0.041 176.046 176.117 -0.051 0.000 1.008 471 I CA -0.106 61.199 61.300 0.008 0.000 1.226 471 I CB 1.204 39.246 38.000 0.070 0.000 1.371 471 I HN 0.448 nan 8.210 nan 0.000 0.468 475 N N 2.147 120.824 118.700 -0.039 0.000 2.321 475 N HA 0.089 4.829 4.740 -0.000 0.000 0.242 475 N C -0.337 175.170 175.510 -0.005 0.000 1.141 475 N CA -0.028 53.008 53.050 -0.024 0.000 0.864 475 N CB 0.235 38.708 38.487 -0.023 0.000 1.100 475 N HN 0.436 nan 8.380 nan 0.000 0.510 476 Q N -0.815 118.987 119.800 0.003 0.000 2.480 476 Q HA -0.201 4.139 4.340 -0.000 0.000 0.265 476 Q C -0.880 175.110 176.000 -0.017 0.000 1.072 476 Q CA 1.358 57.167 55.803 0.010 0.000 1.018 476 Q CB -2.740 26.011 28.738 0.022 0.000 1.433 476 Q HN 0.856 nan 8.270 nan 0.000 0.513 477 S N -3.012 112.649 115.700 -0.065 0.000 2.611 477 S HA 0.491 4.961 4.470 -0.000 0.000 0.270 477 S C -1.175 173.364 174.600 -0.102 0.000 1.131 477 S CA -1.117 57.047 58.200 -0.058 0.000 0.826 477 S CB 0.412 63.645 63.200 0.054 0.000 1.095 477 S HN 0.277 nan 8.310 nan 0.000 0.461 478 W N 2.193 123.525 121.300 0.054 0.000 2.429 478 W HA 0.476 5.135 4.660 -0.000 0.000 0.431 478 W C 1.502 178.034 176.519 0.021 0.000 1.038 478 W CA 0.108 57.481 57.345 0.046 0.000 1.635 478 W CB -0.196 29.297 29.460 0.056 0.000 1.721 478 W HN 1.055 nan 8.180 nan 0.000 0.366 479 G N 1.839 110.718 108.800 0.132 0.000 2.453 479 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 479 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 479 G C 1.698 176.520 174.900 -0.130 0.000 1.201 479 G CA 1.106 46.191 45.100 -0.024 0.000 0.784 479 G HN 0.537 nan 8.290 nan 0.000 0.545 480 A N -0.456 122.312 122.820 -0.087 0.000 1.978 480 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 480 A C 2.456 180.102 177.584 0.103 0.000 1.170 480 A CA 2.505 54.505 52.037 -0.061 0.000 0.636 480 A CB -0.912 18.076 19.000 -0.021 0.000 0.810 480 A HN 0.359 nan 8.150 nan 0.000 0.448 481 T N -0.723 113.907 114.554 0.126 0.000 2.857 481 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 481 T C 1.775 176.612 174.700 0.229 0.000 1.048 481 T CA 1.225 63.415 62.100 0.151 0.000 1.139 481 T CB -0.306 68.623 68.868 0.101 0.000 0.874 481 T HN 0.402 nan 8.240 nan 0.000 0.455 482 L N -0.265 121.094 121.223 0.227 0.000 2.093 482 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 482 L C 2.405 179.459 176.870 0.307 0.000 1.085 482 L CA 1.543 56.531 54.840 0.246 0.000 0.755 482 L CB -0.288 41.908 42.059 0.228 0.000 0.904 482 L HN 0.465 nan 8.230 nan 0.000 0.435 483 H N -1.677 117.477 119.070 0.140 0.000 2.321 483 H HA -0.250 4.306 4.556 -0.000 0.000 0.300 483 H C 2.067 177.462 175.328 0.112 0.000 1.087 483 H CA 1.641 57.753 56.048 0.106 0.000 1.319 483 H CB -0.102 29.715 29.762 0.091 0.000 1.379 483 H HN 0.399 nan 8.280 nan 0.000 0.501 484 F N 2.231 122.277 119.950 0.161 0.000 2.091 484 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 484 F C 2.476 178.314 175.800 0.063 0.000 1.103 484 F CA 1.674 59.725 58.000 0.085 0.000 1.228 484 F CB -0.173 38.864 39.000 0.062 0.000 0.984 484 F HN 0.122 nan 8.300 nan 0.000 0.477 485 Q N -0.297 119.644 119.800 0.236 0.000 2.084 485 Q HA -0.254 4.085 4.340 -0.000 0.000 0.202 485 Q C 2.216 178.209 176.000 -0.011 0.000 0.978 485 Q CA 2.042 57.911 55.803 0.111 0.000 0.844 485 Q CB -0.350 28.488 28.738 0.167 0.000 0.898 485 Q HN 0.613 nan 8.270 nan 0.000 0.426 486 Q N -0.101 119.706 119.800 0.012 0.000 2.079 486 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 486 Q C 1.964 177.913 176.000 -0.085 0.000 0.974 486 Q CA 0.861 56.648 55.803 -0.028 0.000 0.840 486 Q CB 0.011 28.737 28.738 -0.021 0.000 0.898 486 Q HN 0.216 nan 8.270 nan 0.000 0.430 487 L N 0.075 121.228 121.223 -0.117 0.000 2.072 487 L HA -0.048 4.291 4.340 -0.000 0.000 0.205 487 L C 2.127 178.864 176.870 -0.222 0.000 1.079 487 L CA 1.867 56.618 54.840 -0.150 0.000 0.752 487 L CB -1.028 40.957 42.059 -0.124 0.000 0.906 487 L HN 0.172 nan 8.230 nan 0.000 0.436 488 A N -2.115 120.467 122.820 -0.397 0.000 2.095 488 A HA 0.178 4.498 4.320 -0.000 0.000 0.212 488 A C 1.935 179.347 177.584 -0.286 0.000 1.162 488 A CA 0.978 52.733 52.037 -0.471 0.000 0.753 488 A CB 0.042 18.416 19.000 -1.044 0.000 0.840 488 A HN 0.191 nan 8.150 nan 0.000 0.468 489 V N -2.015 117.774 119.914 -0.209 0.000 3.090 489 V HA 0.538 4.658 4.120 -0.000 0.000 0.237 489 V C 1.004 177.061 176.094 -0.060 0.000 1.209 489 V CA 0.546 62.788 62.300 -0.097 0.000 1.209 489 V CB -0.174 31.624 31.823 -0.041 0.000 0.971 489 V HN 0.945 nan 8.190 nan 0.000 0.477 490 G N 0.365 109.131 108.800 -0.057 0.000 2.329 490 G HA2 0.204 4.164 3.960 -0.000 0.000 0.308 490 G HA3 0.204 4.164 3.960 -0.000 0.000 0.308 490 G C -2.620 172.270 174.900 -0.018 0.000 1.587 490 G CA 0.016 45.096 45.100 -0.034 0.000 0.978 490 G HN -0.071 nan 8.290 nan 0.000 0.685 491 P HA -0.154 nan 4.420 nan 0.000 0.216 491 P C 0.905 178.211 177.300 0.011 0.000 1.154 491 P CA 1.775 64.873 63.100 -0.004 0.000 0.865 491 P CB -0.104 31.592 31.700 -0.006 0.000 0.789 492 N N -1.137 117.570 118.700 0.011 0.000 2.380 492 N HA 0.111 4.850 4.740 -0.000 0.000 0.255 492 N C 0.433 175.958 175.510 0.025 0.000 1.158 492 N CA -0.439 52.622 53.050 0.019 0.000 0.878 492 N CB 0.271 38.768 38.487 0.016 0.000 1.138 492 N HN -0.015 nan 8.380 nan 0.000 0.509 493 R N 1.163 121.680 120.500 0.027 0.000 2.633 493 R HA 0.155 4.495 4.340 -0.000 0.000 0.348 493 R C -0.067 176.267 176.300 0.056 0.000 1.100 493 R CA -0.288 55.833 56.100 0.036 0.000 1.068 493 R CB 0.225 30.540 30.300 0.025 0.000 1.351 493 R HN 0.129 nan 8.270 nan 0.000 0.575 494 V N 1.383 121.334 119.914 0.061 0.000 2.408 494 V HA 0.409 4.528 4.120 -0.000 0.000 0.267 494 V C -0.803 175.339 176.094 0.079 0.000 1.047 494 V CA 0.407 62.756 62.300 0.082 0.000 0.937 494 V CB 1.048 32.923 31.823 0.085 0.000 0.999 494 V HN 0.311 nan 8.190 nan 0.000 0.472 495 T N 4.325 118.932 114.554 0.088 0.000 2.933 495 T HA 0.620 4.969 4.350 -0.000 0.000 0.305 495 T C 0.692 175.447 174.700 0.091 0.000 1.092 495 T CA 0.080 62.227 62.100 0.080 0.000 1.008 495 T CB 1.443 70.348 68.868 0.062 0.000 1.102 495 T HN 1.557 nan 8.240 nan 0.000 0.469 496 G N 1.666 110.524 108.800 0.097 0.000 2.186 496 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.266 496 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.266 496 G C 0.769 175.778 174.900 0.182 0.000 0.982 496 G CA 1.325 46.491 45.100 0.111 0.000 0.670 496 G HN 1.196 nan 8.290 nan 0.000 0.533 497 T N -3.028 111.653 114.554 0.212 0.000 3.001 497 T HA 0.416 4.766 4.350 -0.000 0.000 0.251 497 T C 1.032 175.923 174.700 0.318 0.000 1.040 497 T CA 0.029 62.321 62.100 0.320 0.000 0.985 497 T CB 0.568 69.577 68.868 0.236 0.000 1.011 497 T HN 0.487 nan 8.240 nan 0.000 0.509 498 R N 0.852 121.476 120.500 0.207 0.000 2.459 498 R HA 0.635 4.975 4.340 -0.000 0.000 0.281 498 R C -0.677 175.675 176.300 0.087 0.000 1.050 498 R CA -0.449 55.725 56.100 0.124 0.000 1.055 498 R CB 0.995 31.349 30.300 0.091 0.000 1.045 498 R HN 0.250 nan 8.270 nan 0.000 0.495 499 L N 2.736 123.965 121.223 0.010 0.000 2.551 499 L HA 0.242 4.581 4.340 -0.000 0.000 0.248 499 L C -0.513 176.353 176.870 -0.006 0.000 1.509 499 L CA 0.022 54.844 54.840 -0.029 0.000 0.842 499 L CB 1.058 43.015 42.059 -0.169 0.000 1.087 499 L HN 0.571 nan 8.230 nan 0.000 0.512 500 E N 1.938 122.143 120.200 0.008 0.000 2.028 500 E HA 0.272 4.622 4.350 -0.000 0.000 0.275 500 E C -0.580 176.011 176.600 -0.016 0.000 1.171 500 E CA -0.184 56.218 56.400 0.004 0.000 1.186 500 E CB 0.347 30.055 29.700 0.014 0.000 1.256 500 E HN 0.394 nan 8.360 nan 0.000 0.474 501 N N 0.200 118.875 118.700 -0.040 0.000 3.521 501 N HA 0.389 5.129 4.740 -0.000 0.000 0.228 501 N C -1.513 173.887 175.510 -0.183 0.000 1.328 501 N CA 0.223 53.221 53.050 -0.086 0.000 0.907 501 N CB 1.593 40.041 38.487 -0.065 0.000 1.487 501 N HN 0.260 nan 8.380 nan 0.000 0.503 502 G N 0.785 109.433 108.800 -0.252 0.000 3.421 502 G HA2 0.028 3.988 3.960 -0.000 0.000 0.686 502 G HA3 0.028 3.988 3.960 -0.000 0.000 0.686 502 G C -0.689 173.850 174.900 -0.602 0.000 1.056 502 G CA -0.237 44.590 45.100 -0.455 0.000 0.891 502 G HN 0.841 nan 8.290 nan 0.000 0.514 503 S N 2.357 117.782 115.700 -0.457 0.000 2.681 503 S HA 0.470 4.939 4.470 -0.000 0.000 0.313 503 S C 1.488 175.838 174.600 -0.416 0.000 1.137 503 S CA -0.341 57.606 58.200 -0.421 0.000 1.045 503 S CB -0.092 62.829 63.200 -0.466 0.000 1.208 503 S HN 0.532 nan 8.310 nan 0.000 0.523 504 Y N 3.624 123.917 120.300 -0.011 0.000 2.293 504 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 504 Y C 2.591 178.498 175.900 0.012 0.000 1.137 504 Y CA 1.755 59.884 58.100 0.049 0.000 1.202 504 Y CB -0.551 37.995 38.460 0.144 0.000 0.990 504 Y HN 0.846 nan 8.280 nan 0.000 0.537 505 H N -2.210 116.932 119.070 0.121 0.000 2.389 505 H HA 0.028 4.584 4.556 -0.000 0.000 0.299 505 H C 2.401 177.691 175.328 -0.064 0.000 1.081 505 H CA 1.186 57.248 56.048 0.024 0.000 1.345 505 H CB -1.093 28.716 29.762 0.078 0.000 1.393 505 H HN 0.325 nan 8.280 nan 0.000 0.520 506 G N 1.439 109.892 108.800 -0.579 0.000 2.469 506 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 506 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 506 G C 1.912 176.665 174.900 -0.246 0.000 1.150 506 G CA 1.686 46.552 45.100 -0.389 0.000 0.763 506 G HN 0.377 nan 8.290 nan 0.000 0.561 507 V N 1.519 121.316 119.914 -0.195 0.000 2.295 507 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 507 V C 3.338 179.366 176.094 -0.111 0.000 1.049 507 V CA 2.102 64.324 62.300 -0.129 0.000 1.024 507 V CB -0.918 30.940 31.823 0.058 0.000 0.648 507 V HN 0.500 nan 8.190 nan 0.000 0.447 508 A N -0.034 122.658 122.820 -0.214 0.000 1.877 508 A HA -0.147 4.172 4.320 -0.000 0.000 0.216 508 A C 2.443 179.935 177.584 -0.153 0.000 1.186 508 A CA 2.233 54.000 52.037 -0.451 0.000 0.620 508 A CB -0.866 17.579 19.000 -0.925 0.000 0.822 508 A HN 0.580 nan 8.150 nan 0.000 0.443 509 A N -0.061 122.675 122.820 -0.140 0.000 1.883 509 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 509 A C 2.506 180.044 177.584 -0.078 0.000 1.186 509 A CA 2.267 54.251 52.037 -0.088 0.000 0.624 509 A CB -1.150 17.795 19.000 -0.092 0.000 0.822 509 A HN 1.204 nan 8.150 nan 0.000 0.444 510 A N -1.826 120.904 122.820 -0.150 0.000 2.076 510 A HA -0.010 4.309 4.320 -0.000 0.000 0.220 510 A C 1.602 179.070 177.584 -0.193 0.000 1.160 510 A CA 1.391 53.303 52.037 -0.209 0.000 0.653 510 A CB -0.646 18.159 19.000 -0.324 0.000 0.801 510 A HN 0.454 nan 8.150 nan 0.000 0.455 511 F N -1.041 118.905 119.950 -0.007 0.000 2.765 511 F HA 0.348 4.875 4.527 -0.000 0.000 0.302 511 F C 1.870 177.699 175.800 0.049 0.000 1.111 511 F CA 0.158 58.186 58.000 0.046 0.000 1.359 511 F CB -0.035 39.037 39.000 0.120 0.000 1.097 511 F HN 0.361 nan 8.300 nan 0.000 0.577 512 G N -0.018 108.883 108.800 0.169 0.000 2.175 512 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.244 512 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.244 512 G C 0.360 175.320 174.900 0.100 0.000 0.982 512 G CA -0.079 45.088 45.100 0.112 0.000 0.641 512 G HN 0.625 nan 8.290 nan 0.000 0.527 513 A N 0.198 123.082 122.820 0.107 0.000 2.304 513 A HA 0.603 4.923 4.320 -0.000 0.000 0.301 513 A C 0.093 177.689 177.584 0.020 0.000 1.132 513 A CA -0.239 51.855 52.037 0.095 0.000 0.819 513 A CB 0.495 19.574 19.000 0.132 0.000 1.094 513 A HN 0.197 nan 8.150 nan 0.000 0.492 514 D N 1.304 121.729 120.400 0.042 0.000 2.450 514 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 514 D C 0.407 176.669 176.300 -0.062 0.000 1.162 514 D CA 1.081 55.057 54.000 -0.040 0.000 0.879 514 D CB 1.029 41.840 40.800 0.018 0.000 1.163 514 D HN 0.640 nan 8.370 nan 0.000 0.472 515 G N 1.884 110.581 108.800 -0.172 0.000 2.417 515 G HA2 0.514 4.474 3.960 -0.000 0.000 0.320 515 G HA3 0.514 4.474 3.960 -0.000 0.000 0.320 515 G C -1.253 173.561 174.900 -0.144 0.000 1.204 515 G CA -0.531 44.542 45.100 -0.045 0.000 0.923 515 G HN 0.319 nan 8.290 nan 0.000 0.466 516 Y N 0.186 120.529 120.300 0.073 0.000 2.485 516 Y HA 0.544 5.094 4.550 -0.000 0.000 0.345 516 Y C -0.039 175.786 175.900 -0.125 0.000 0.998 516 Y CA -0.976 57.124 58.100 0.000 0.000 1.059 516 Y CB 2.765 41.241 38.460 0.027 0.000 1.234 516 Y HN 0.702 nan 8.280 nan 0.000 0.461 517 H N 1.815 120.773 119.070 -0.186 0.000 2.589 517 H HA 0.747 5.303 4.556 -0.000 0.000 0.351 517 H C -1.524 173.738 175.328 -0.109 0.000 1.074 517 H CA -0.823 55.036 56.048 -0.316 0.000 1.203 517 H CB 1.376 30.729 29.762 -0.682 0.000 1.558 517 H HN 0.548 nan 8.280 nan 0.000 0.522 518 V N 2.108 121.674 119.914 -0.580 0.000 3.114 518 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 518 V C -0.903 174.929 176.094 -0.438 0.000 1.168 518 V CA -0.682 61.417 62.300 -0.335 0.000 1.015 518 V CB 2.365 34.113 31.823 -0.125 0.000 1.050 518 V HN 0.965 nan 8.190 nan 0.000 0.433 519 D N -0.252 120.017 120.400 -0.218 0.000 2.602 519 D HA 0.441 5.081 4.640 -0.000 0.000 0.265 519 D C -0.057 176.195 176.300 -0.080 0.000 1.454 519 D CA 0.353 54.252 54.000 -0.168 0.000 0.795 519 D CB 0.507 41.245 40.800 -0.104 0.000 1.140 519 D HN 0.814 nan 8.370 nan 0.000 0.486 520 S N -1.137 114.539 115.700 -0.040 0.000 2.565 520 S HA 0.363 4.833 4.470 -0.000 0.000 0.269 520 S C 0.677 175.315 174.600 0.063 0.000 1.153 520 S CA -0.536 57.671 58.200 0.011 0.000 0.835 520 S CB 1.437 64.646 63.200 0.015 0.000 1.122 520 S HN -0.162 nan 8.310 nan 0.000 0.462 521 V N 3.193 123.137 119.914 0.050 0.000 2.282 521 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 521 V C 2.499 178.618 176.094 0.042 0.000 1.057 521 V CA 2.755 65.088 62.300 0.054 0.000 1.032 521 V CB -0.931 30.878 31.823 -0.023 0.000 0.645 521 V HN 0.951 nan 8.190 nan 0.000 0.447 522 E N 0.927 121.138 120.200 0.018 0.000 2.107 522 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 522 E C 2.151 178.764 176.600 0.021 0.000 0.982 522 E CA 1.462 57.866 56.400 0.006 0.000 0.809 522 E CB -0.464 29.234 29.700 -0.004 0.000 0.756 522 E HN 0.666 nan 8.360 nan 0.000 0.459 523 S N 0.588 116.313 115.700 0.043 0.000 2.383 523 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 523 S C 1.896 176.553 174.600 0.095 0.000 1.026 523 S CA 0.675 58.906 58.200 0.051 0.000 0.981 523 S CB -0.633 62.588 63.200 0.035 0.000 0.818 523 S HN 0.358 nan 8.310 nan 0.000 0.472 524 F N 2.709 122.611 119.950 -0.080 0.000 2.134 524 F HA 0.052 4.579 4.527 -0.000 0.000 0.299 524 F C 2.649 178.389 175.800 -0.100 0.000 1.097 524 F CA 0.779 58.718 58.000 -0.103 0.000 1.264 524 F CB -1.197 37.748 39.000 -0.091 0.000 1.001 524 F HN 0.270 nan 8.300 nan 0.000 0.479 525 S N 0.077 115.696 115.700 -0.134 0.000 2.359 525 S HA -0.214 4.256 4.470 -0.000 0.000 0.223 525 S C 2.363 176.865 174.600 -0.163 0.000 1.039 525 S CA 1.502 59.572 58.200 -0.217 0.000 1.042 525 S CB -0.880 62.254 63.200 -0.110 0.000 0.915 525 S HN 0.533 nan 8.310 nan 0.000 0.439 526 A N 1.185 123.951 122.820 -0.090 0.000 1.908 526 A HA 0.039 4.358 4.320 -0.000 0.000 0.218 526 A C 2.379 179.884 177.584 -0.131 0.000 1.181 526 A CA 2.071 54.064 52.037 -0.074 0.000 0.627 526 A CB -1.280 17.709 19.000 -0.019 0.000 0.818 526 A HN 0.655 nan 8.150 nan 0.000 0.445 527 A N -0.679 122.045 122.820 -0.161 0.000 1.877 527 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 527 A C 2.139 179.412 177.584 -0.518 0.000 1.186 527 A CA 1.773 53.580 52.037 -0.384 0.000 0.620 527 A CB -0.646 18.184 19.000 -0.282 0.000 0.822 527 A HN 0.689 nan 8.150 nan 0.000 0.443 528 L N -0.257 120.723 121.223 -0.406 0.000 2.056 528 L HA -0.022 4.317 4.340 -0.000 0.000 0.207 528 L C 2.651 179.252 176.870 -0.449 0.000 1.078 528 L CA 2.119 56.675 54.840 -0.473 0.000 0.749 528 L CB -0.908 40.740 42.059 -0.685 0.000 0.901 528 L HN 0.351 nan 8.230 nan 0.000 0.433 529 A N -1.097 121.524 122.820 -0.332 0.000 1.902 529 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 529 A C 2.325 179.785 177.584 -0.207 0.000 1.181 529 A CA 1.783 53.704 52.037 -0.194 0.000 0.623 529 A CB -0.703 18.255 19.000 -0.069 0.000 0.818 529 A HN 0.626 nan 8.150 nan 0.000 0.443 530 Q N -0.710 118.958 119.800 -0.219 0.000 2.084 530 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 530 Q C 2.148 177.966 176.000 -0.303 0.000 0.978 530 Q CA 1.619 57.284 55.803 -0.231 0.000 0.844 530 Q CB -0.312 28.387 28.738 -0.065 0.000 0.898 530 Q HN 0.630 nan 8.270 nan 0.000 0.426 531 A N 0.175 122.858 122.820 -0.230 0.000 1.897 531 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 531 A C 1.878 179.410 177.584 -0.087 0.000 1.181 531 A CA 0.725 52.717 52.037 -0.076 0.000 0.620 531 A CB -0.471 18.471 19.000 -0.096 0.000 0.821 531 A HN 0.401 nan 8.150 nan 0.000 0.443 532 L N -0.291 120.835 121.223 -0.161 0.000 2.127 532 L HA -0.166 4.173 4.340 -0.000 0.000 0.211 532 L C 2.798 179.614 176.870 -0.090 0.000 1.089 532 L CA 1.924 56.692 54.840 -0.120 0.000 0.757 532 L CB -1.451 40.515 42.059 -0.156 0.000 0.899 532 L HN 0.451 nan 8.230 nan 0.000 0.434 533 A N -2.275 120.442 122.820 -0.173 0.000 2.119 533 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 533 A C 0.628 178.164 177.584 -0.079 0.000 1.152 533 A CA 0.466 52.401 52.037 -0.169 0.000 0.708 533 A CB -0.492 18.352 19.000 -0.261 0.000 0.805 533 A HN 0.398 nan 8.150 nan 0.000 0.460 534 H N -0.401 118.692 119.070 0.040 0.000 2.458 534 H HA 0.231 4.787 4.556 -0.000 0.000 0.330 534 H C -0.518 174.841 175.328 0.051 0.000 1.111 534 H CA -1.152 54.928 56.048 0.053 0.000 1.245 534 H CB 0.790 30.599 29.762 0.078 0.000 1.456 534 H HN 0.221 nan 8.280 nan 0.000 0.488 535 N N 3.063 121.872 118.700 0.180 0.000 3.103 535 N HA 0.032 4.772 4.740 -0.000 0.000 0.305 535 N C -0.615 174.964 175.510 0.115 0.000 1.232 535 N CA 0.040 53.161 53.050 0.117 0.000 1.190 535 N CB -0.342 38.196 38.487 0.086 0.000 1.461 535 N HN 0.492 nan 8.380 nan 0.000 0.538 536 R N 0.826 121.411 120.500 0.141 0.000 2.594 536 R HA 0.415 4.755 4.340 -0.000 0.000 0.265 536 R C -2.797 173.599 176.300 0.160 0.000 1.070 536 R CA -1.484 54.699 56.100 0.137 0.000 0.909 536 R CB 2.025 32.406 30.300 0.136 0.000 1.243 536 R HN 0.199 nan 8.270 nan 0.000 0.455 537 P HA 0.368 nan 4.420 nan 0.000 0.277 537 P C -1.512 175.931 177.300 0.239 0.000 1.240 537 P CA -0.310 62.912 63.100 0.204 0.000 0.798 537 P CB 1.670 33.510 31.700 0.232 0.000 0.979 538 A N 1.132 124.118 122.820 0.276 0.000 2.594 538 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 538 A C -1.486 176.302 177.584 0.340 0.000 1.105 538 A CA -0.526 51.693 52.037 0.305 0.000 0.694 538 A CB 1.336 20.552 19.000 0.360 0.000 1.291 538 A HN 0.643 nan 8.150 nan 0.000 0.410 539 C N 1.536 121.012 119.300 0.294 0.000 2.396 539 C HA 0.791 5.251 4.460 -0.000 0.000 0.321 539 C C -1.116 174.058 174.990 0.305 0.000 1.233 539 C CA -0.514 58.669 59.018 0.275 0.000 1.440 539 C CB -0.656 27.110 27.740 0.044 0.000 2.110 539 C HN 0.605 nan 8.230 nan 0.000 0.473 540 I N 5.987 126.691 120.570 0.223 0.000 2.382 540 I HA 0.289 4.459 4.170 -0.000 0.000 0.285 540 I C -0.310 175.843 176.117 0.059 0.000 1.007 540 I CA -0.135 61.260 61.300 0.160 0.000 1.142 540 I CB 0.970 39.030 38.000 0.100 0.000 1.289 540 I HN 0.600 nan 8.210 nan 0.000 0.453 541 N N 6.648 125.391 118.700 0.071 0.000 2.415 541 N HA 0.220 4.960 4.740 -0.000 0.000 0.246 541 N C -0.977 174.421 175.510 -0.188 0.000 1.078 541 N CA -0.163 52.928 53.050 0.068 0.000 0.942 541 N CB 1.069 39.761 38.487 0.343 0.000 1.140 541 N HN 0.264 nan 8.380 nan 0.000 0.501 542 V N 2.737 122.493 119.914 -0.264 0.000 2.318 542 V HA 0.458 4.578 4.120 -0.000 0.000 0.271 542 V C 0.570 176.482 176.094 -0.303 0.000 1.030 542 V CA -1.329 60.706 62.300 -0.441 0.000 0.844 542 V CB 0.598 31.994 31.823 -0.711 0.000 1.015 542 V HN 0.717 nan 8.190 nan 0.000 0.460 543 A N 5.350 127.980 122.820 -0.316 0.000 2.484 543 A HA 0.559 4.879 4.320 -0.000 0.000 0.268 543 A C -0.215 177.267 177.584 -0.170 0.000 1.114 543 A CA 0.144 52.081 52.037 -0.167 0.000 0.780 543 A CB 0.216 19.145 19.000 -0.117 0.000 1.061 543 A HN 0.684 nan 8.150 nan 0.000 0.505 544 V N 2.042 121.875 119.914 -0.135 0.000 2.962 544 V HA 0.655 4.775 4.120 -0.000 0.000 0.313 544 V C 0.628 176.650 176.094 -0.119 0.000 1.099 544 V CA -0.289 61.925 62.300 -0.144 0.000 0.971 544 V CB 2.038 33.761 31.823 -0.167 0.000 1.028 544 V HN 1.265 nan 8.190 nan 0.000 0.430 545 A N 2.518 125.252 122.820 -0.143 0.000 2.445 545 A HA 0.464 4.784 4.320 -0.000 0.000 0.242 545 A C 0.486 178.015 177.584 -0.093 0.000 1.075 545 A CA 0.221 52.185 52.037 -0.121 0.000 0.777 545 A CB 0.382 19.291 19.000 -0.152 0.000 1.013 545 A HN 0.963 nan 8.150 nan 0.000 0.493 546 L N 0.461 121.676 121.223 -0.014 0.000 2.388 546 L HA 0.190 4.530 4.340 -0.000 0.000 0.209 546 L C 1.382 178.378 176.870 0.210 0.000 1.061 546 L CA 1.565 56.453 54.840 0.081 0.000 0.834 546 L CB -0.422 41.693 42.059 0.093 0.000 1.029 546 L HN 0.716 nan 8.230 nan 0.000 0.473 547 D N 0.324 120.791 120.400 0.113 0.000 2.133 547 D HA -0.081 4.559 4.640 -0.000 0.000 0.195 547 D C -1.463 174.897 176.300 0.099 0.000 0.997 547 D CA 0.942 54.992 54.000 0.083 0.000 0.840 547 D CB -1.517 39.299 40.800 0.026 0.000 0.947 547 D HN 0.319 nan 8.370 nan 0.000 0.452 548 P HA 0.051 nan 4.420 nan 0.000 0.264 548 P C -0.304 177.289 177.300 0.488 0.000 1.183 548 P CA 0.333 63.560 63.100 0.212 0.000 0.763 548 P CB 0.476 32.099 31.700 -0.128 0.000 0.807 549 I N 5.523 126.322 120.570 0.382 0.000 2.328 549 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 549 I C -1.941 174.135 176.117 -0.069 0.000 1.012 549 I CA -2.546 58.881 61.300 0.212 0.000 1.195 549 I CB 1.437 39.469 38.000 0.053 0.000 1.350 549 I HN 0.180 nan 8.210 nan 0.000 0.464 550 P HA 0.170 nan 4.420 nan 0.000 0.271 550 P C -2.301 174.630 177.300 -0.615 0.000 1.216 550 P CA -1.440 60.817 63.100 -1.405 0.000 0.776 550 P CB 0.452 31.101 31.700 -1.751 0.000 0.881 551 P HA -0.215 nan 4.420 nan 0.000 0.216 551 P C 1.470 178.607 177.300 -0.272 0.000 1.154 551 P CA 1.661 64.590 63.100 -0.285 0.000 0.865 551 P CB -0.018 31.546 31.700 -0.226 0.000 0.789 552 E N -0.447 119.587 120.200 -0.276 0.000 2.160 552 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 552 E C 1.986 178.485 176.600 -0.168 0.000 0.991 552 E CA 0.997 57.278 56.400 -0.198 0.000 0.810 552 E CB -0.500 29.121 29.700 -0.131 0.000 0.742 552 E HN 0.504 nan 8.360 nan 0.000 0.466 553 E N 0.813 120.891 120.200 -0.202 0.000 2.051 553 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 553 E C 1.972 178.536 176.600 -0.060 0.000 0.991 553 E CA 0.697 57.029 56.400 -0.113 0.000 0.799 553 E CB -0.158 29.484 29.700 -0.096 0.000 0.748 553 E HN 0.192 nan 8.360 nan 0.000 0.449 554 L N 1.319 122.490 121.223 -0.087 0.000 2.651 554 L HA -0.079 4.261 4.340 -0.000 0.000 0.236 554 L C 0.953 177.796 176.870 -0.046 0.000 1.173 554 L CA 0.184 54.988 54.840 -0.060 0.000 0.843 554 L CB -0.476 41.537 42.059 -0.077 0.000 0.964 554 L HN 0.239 nan 8.230 nan 0.000 0.454 555 I N 0.000 120.538 120.570 -0.053 0.000 2.984 555 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 555 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 555 I CB 0.000 37.939 38.000 -0.102 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494