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 3n0t_1_D DATA FIRST_RESID 29 DATA SEQUENCE PGFQERFFQQ RLDHFNFERF GNKTFPQRFL VSDRFWVRGE GPIFFYTGNE DATA SEQUENCE GDVWAFANNS AFVAELAAER GALLVFAEHR YYGKSLPFGA QSTQRGHTEL DATA SEQUENCE LTVEQALADF AELLRALRRD LGAQDAPAIA FGGSYGGMLS AYLRMKYPHL DATA SEQUENCE VAGALAASAP VLAVAGLGDS NQFFRDVTAD FEGQSPKcTQ GVREAFRQIK DATA SEQUENCE DLFLQGAYDT VRWEFGTcQP LSDEKDLTQL FMFARNAFTV LAMMDYPYPT DATA SEQUENCE DFLGPLPANP VKVGcDRLLS EAQRITGLRA LAGLVYNASG SEHcYDIYRL DATA SEQUENCE YHScADPTGc GTGPDARAWD YQAcTEINLT FASNNVTDMF PDLPFTDELR DATA SEQUENCE QRYcLDTWGV WPRPDWLLTS FWGGDLRAAS NIIFSNGNLD PWAGGGIRRN DATA SEQUENCE LSASVIAVTI QGGAHHLDLR ASHPEDPASV VEARKLEATI IGEWVKAAR 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.077 177.300 -0.372 0.000 1.155 29 P CA 0.000 62.985 63.100 -0.192 0.000 0.800 29 P CB 0.000 31.591 31.700 -0.181 0.000 0.726 30 G N 1.215 109.889 108.800 -0.210 0.000 2.338 30 G HA2 -0.246 3.715 3.960 0.001 0.000 0.296 30 G HA3 -0.246 3.715 3.960 0.001 0.000 0.296 30 G C -0.120 174.714 174.900 -0.109 0.000 1.040 30 G CA 0.085 45.102 45.100 -0.139 0.000 1.004 30 G HN 0.222 nan 8.290 nan 0.000 0.509 31 F N -0.527 119.443 119.950 0.034 0.000 2.506 31 F HA 0.451 4.979 4.527 0.001 0.000 0.351 31 F C 1.099 176.937 175.800 0.062 0.000 1.136 31 F CA 0.322 58.323 58.000 0.001 0.000 1.298 31 F CB 0.909 39.842 39.000 -0.112 0.000 1.145 31 F HN 0.217 nan 8.300 nan 0.000 0.593 32 Q N 1.577 121.493 119.800 0.193 0.000 2.339 32 Q HA 0.185 4.526 4.340 0.001 0.000 0.268 32 Q C -0.663 175.310 176.000 -0.044 0.000 1.027 32 Q CA -0.574 55.283 55.803 0.091 0.000 0.759 32 Q CB 1.530 30.287 28.738 0.030 0.000 1.244 32 Q HN 0.524 nan 8.270 nan 0.000 0.464 33 E N 3.394 123.596 120.200 0.002 0.000 2.366 33 E HA 0.055 4.406 4.350 0.001 0.000 0.266 33 E C -0.545 175.845 176.600 -0.350 0.000 1.015 33 E CA 0.193 56.485 56.400 -0.180 0.000 0.906 33 E CB 0.471 30.230 29.700 0.098 0.000 0.979 33 E HN 0.327 nan 8.360 nan 0.000 0.443 34 R N 3.128 123.181 120.500 -0.744 0.000 2.855 34 R HA 0.490 4.831 4.340 0.001 0.000 0.266 34 R C -1.212 174.411 176.300 -1.129 0.000 1.034 34 R CA -0.783 54.811 56.100 -0.844 0.000 0.944 34 R CB 1.129 30.759 30.300 -1.117 0.000 1.219 34 R HN 0.425 nan 8.270 nan 0.000 0.474 35 F N 0.487 120.245 119.950 -0.320 0.000 2.565 35 F HA 0.491 5.019 4.527 0.001 0.000 0.313 35 F C -0.431 175.535 175.800 0.277 0.000 1.091 35 F CA -0.852 57.139 58.000 -0.015 0.000 0.915 35 F CB 1.699 40.701 39.000 0.003 0.000 1.208 35 F HN 0.266 nan 8.300 nan 0.000 0.453 36 F N 2.738 122.923 119.950 0.391 0.000 2.507 36 F HA 0.435 4.963 4.527 0.001 0.000 0.325 36 F C -0.188 175.641 175.800 0.049 0.000 1.116 36 F CA -0.983 57.176 58.000 0.266 0.000 0.930 36 F CB 1.473 40.618 39.000 0.242 0.000 1.146 36 F HN 0.314 nan 8.300 nan 0.000 0.447 37 Q N 4.781 124.288 119.800 -0.488 0.000 2.780 37 Q HA 0.035 4.375 4.340 0.001 0.000 0.234 37 Q C -0.431 174.973 176.000 -0.994 0.000 1.355 37 Q CA 0.015 55.471 55.803 -0.579 0.000 0.919 37 Q CB 0.072 28.628 28.738 -0.304 0.000 1.645 37 Q HN 0.668 nan 8.270 nan 0.000 0.568 38 Q N 1.547 120.734 119.800 -1.021 0.000 2.327 38 Q HA 0.112 4.453 4.340 0.001 0.000 0.254 38 Q C -0.483 175.159 176.000 -0.598 0.000 0.952 38 Q CA -0.034 55.238 55.803 -0.886 0.000 0.884 38 Q CB 0.680 28.910 28.738 -0.847 0.000 1.224 38 Q HN 0.273 nan 8.270 nan 0.000 0.422 39 R N 3.370 123.666 120.500 -0.339 0.000 2.537 39 R HA -0.006 4.335 4.340 0.001 0.000 0.280 39 R C 0.716 176.894 176.300 -0.204 0.000 1.058 39 R CA -0.274 55.649 56.100 -0.295 0.000 1.057 39 R CB 0.394 30.456 30.300 -0.397 0.000 0.973 39 R HN 0.698 nan 8.270 nan 0.000 0.438 40 L N 1.291 122.452 121.223 -0.103 0.000 1.988 40 L HA -0.117 4.223 4.340 0.001 0.000 0.207 40 L C 0.706 177.479 176.870 -0.160 0.000 1.071 40 L CA 1.923 56.694 54.840 -0.115 0.000 0.744 40 L CB -0.080 41.825 42.059 -0.255 0.000 0.893 40 L HN 0.564 nan 8.230 nan 0.000 0.433 41 D N -2.313 118.005 120.400 -0.136 0.000 2.471 41 D HA 0.138 4.779 4.640 0.001 0.000 0.245 41 D C 0.606 176.761 176.300 -0.242 0.000 1.116 41 D CA -0.228 53.753 54.000 -0.031 0.000 0.853 41 D CB 0.726 41.672 40.800 0.243 0.000 1.123 41 D HN 0.172 nan 8.370 nan 0.000 0.540 42 H N 2.933 121.945 119.070 -0.097 0.000 2.548 42 H HA 0.047 4.604 4.556 0.001 0.000 0.268 42 H C 0.603 175.528 175.328 -0.671 0.000 0.975 42 H CA 0.624 56.401 56.048 -0.452 0.000 1.195 42 H CB 0.621 30.014 29.762 -0.617 0.000 1.397 42 H HN 0.414 nan 8.280 nan 0.000 0.572 43 F N -0.594 119.438 119.950 0.137 0.000 2.706 43 F HA 0.214 4.742 4.527 0.001 0.000 0.313 43 F C 0.745 176.648 175.800 0.171 0.000 1.096 43 F CA -0.277 57.821 58.000 0.164 0.000 1.219 43 F CB 0.721 39.828 39.000 0.179 0.000 1.051 43 F HN -0.070 nan 8.300 nan 0.000 0.568 44 N N -0.310 118.528 118.700 0.231 0.000 2.310 44 N HA 0.201 4.942 4.740 0.001 0.000 0.292 44 N C -0.315 175.273 175.510 0.130 0.000 1.049 44 N CA -0.361 52.833 53.050 0.240 0.000 0.849 44 N CB 1.138 39.748 38.487 0.204 0.000 1.532 44 N HN -0.007 nan 8.380 nan 0.000 0.479 45 F N 1.418 121.413 119.950 0.076 0.000 2.473 45 F HA 0.217 4.744 4.527 0.001 0.000 0.294 45 F C 1.885 177.709 175.800 0.040 0.000 1.103 45 F CA 0.481 58.514 58.000 0.055 0.000 1.442 45 F CB 0.690 39.717 39.000 0.044 0.000 1.097 45 F HN 0.505 nan 8.300 nan 0.000 0.547 46 E N -0.232 120.078 120.200 0.184 0.000 2.079 46 E HA -0.032 4.318 4.350 0.001 0.000 0.191 46 E C 2.091 178.680 176.600 -0.018 0.000 0.961 46 E CA -0.014 56.434 56.400 0.079 0.000 0.823 46 E CB -0.132 29.601 29.700 0.055 0.000 0.789 46 E HN 0.158 nan 8.360 nan 0.000 0.459 47 R N 0.220 120.670 120.500 -0.083 0.000 2.133 47 R HA -0.160 4.181 4.340 0.001 0.000 0.245 47 R C 0.573 176.501 176.300 -0.620 0.000 1.137 47 R CA 1.588 57.472 56.100 -0.361 0.000 0.947 47 R CB -0.065 30.006 30.300 -0.383 0.000 0.865 47 R HN 0.116 nan 8.270 nan 0.000 0.437 48 F N -0.339 119.654 119.950 0.072 0.000 2.881 48 F HA 0.308 4.835 4.527 0.001 0.000 0.343 48 F C 1.348 177.164 175.800 0.026 0.000 1.233 48 F CA 0.097 58.137 58.000 0.065 0.000 1.262 48 F CB 0.624 39.674 39.000 0.083 0.000 0.980 48 F HN 0.255 nan 8.300 nan 0.000 0.506 49 G N 2.403 111.267 108.800 0.106 0.000 2.689 49 G HA2 -0.532 3.429 3.960 0.001 0.000 0.371 49 G HA3 -0.532 3.429 3.960 0.001 0.000 0.371 49 G C 1.538 176.473 174.900 0.058 0.000 1.062 49 G CA 1.761 46.908 45.100 0.080 0.000 0.873 49 G HN 0.451 nan 8.290 nan 0.000 0.697 50 N N 0.868 119.597 118.700 0.048 0.000 2.428 50 N HA 0.035 4.776 4.740 0.001 0.000 0.181 50 N C 0.684 176.191 175.510 -0.005 0.000 1.028 50 N CA 1.014 54.072 53.050 0.012 0.000 0.877 50 N CB -0.486 38.012 38.487 0.018 0.000 1.064 50 N HN 0.745 nan 8.380 nan 0.000 0.434 51 K N 1.230 121.648 120.400 0.030 0.000 2.435 51 K HA -0.147 4.174 4.320 0.001 0.000 0.249 51 K C 0.266 176.850 176.600 -0.028 0.000 1.037 51 K CA 1.012 57.315 56.287 0.027 0.000 1.129 51 K CB -0.318 32.243 32.500 0.102 0.000 0.737 51 K HN 0.630 nan 8.250 nan 0.000 0.462 52 T N 0.075 114.593 114.554 -0.059 0.000 2.919 52 T HA 0.774 5.125 4.350 0.001 0.000 0.282 52 T C -0.466 174.208 174.700 -0.044 0.000 1.020 52 T CA -1.034 60.997 62.100 -0.115 0.000 0.994 52 T CB 1.001 69.741 68.868 -0.214 0.000 1.180 52 T HN 0.482 nan 8.240 nan 0.000 0.566 53 F N -1.549 118.269 119.950 -0.219 0.000 2.619 53 F HA 0.760 5.288 4.527 0.001 0.000 0.308 53 F C -3.219 172.506 175.800 -0.125 0.000 1.097 53 F CA -2.931 54.948 58.000 -0.203 0.000 0.953 53 F CB 1.246 40.072 39.000 -0.289 0.000 1.287 53 F HN 0.378 nan 8.300 nan 0.000 0.446 54 P HA 0.102 nan 4.420 nan 0.000 0.281 54 P C -1.481 175.906 177.300 0.145 0.000 1.286 54 P CA 0.070 63.153 63.100 -0.028 0.000 0.772 54 P CB 1.475 33.130 31.700 -0.075 0.000 0.862 55 Q N 3.707 123.543 119.800 0.059 0.000 2.314 55 Q HA 0.266 4.607 4.340 0.001 0.000 0.259 55 Q C -0.236 176.001 176.000 0.394 0.000 0.951 55 Q CA -0.884 55.064 55.803 0.242 0.000 0.909 55 Q CB 1.066 29.851 28.738 0.078 0.000 1.236 55 Q HN 0.328 nan 8.270 nan 0.000 0.444 56 R N 3.867 124.549 120.500 0.304 0.000 2.491 56 R HA 0.298 4.638 4.340 0.001 0.000 0.283 56 R C -1.131 175.175 176.300 0.009 0.000 1.072 56 R CA 0.145 56.151 56.100 -0.157 0.000 1.048 56 R CB 0.337 30.555 30.300 -0.136 0.000 0.983 56 R HN 0.541 nan 8.270 nan 0.000 0.450 57 F N 2.487 122.257 119.950 -0.301 0.000 2.619 57 F HA 0.478 5.005 4.527 0.001 0.000 0.308 57 F C -1.890 173.712 175.800 -0.330 0.000 1.097 57 F CA -1.376 56.474 58.000 -0.251 0.000 0.953 57 F CB 1.157 40.065 39.000 -0.153 0.000 1.287 57 F HN 0.155 nan 8.300 nan 0.000 0.446 58 L N 3.865 124.946 121.223 -0.237 0.000 2.325 58 L HA 0.881 5.222 4.340 0.001 0.000 0.278 58 L C -0.697 176.170 176.870 -0.005 0.000 1.023 58 L CA -1.385 53.231 54.840 -0.372 0.000 0.811 58 L CB 1.584 43.089 42.059 -0.923 0.000 1.249 58 L HN 0.732 nan 8.230 nan 0.000 0.431 59 V N 1.466 121.444 119.914 0.106 0.000 2.925 59 V HA 0.671 4.792 4.120 0.001 0.000 0.311 59 V C -0.977 175.241 176.094 0.206 0.000 1.104 59 V CA -0.092 62.332 62.300 0.207 0.000 0.954 59 V CB 2.518 34.442 31.823 0.168 0.000 1.022 59 V HN 0.788 nan 8.190 nan 0.000 0.427 60 S N 2.996 118.756 115.700 0.099 0.000 2.673 60 S HA 0.330 4.801 4.470 0.001 0.000 0.256 60 S C -0.159 174.379 174.600 -0.103 0.000 1.141 60 S CA -0.193 57.945 58.200 -0.104 0.000 1.109 60 S CB 0.862 63.814 63.200 -0.413 0.000 1.101 60 S HN 0.984 nan 8.310 nan 0.000 0.471 61 D N 3.530 123.888 120.400 -0.070 0.000 2.328 61 D HA 0.096 4.736 4.640 0.001 0.000 0.221 61 D C 1.788 178.051 176.300 -0.061 0.000 1.072 61 D CA 0.108 54.137 54.000 0.049 0.000 0.850 61 D CB -0.193 40.716 40.800 0.182 0.000 0.922 61 D HN 0.548 nan 8.370 nan 0.000 0.516 62 R N 0.931 121.221 120.500 -0.349 0.000 2.154 62 R HA -0.155 4.185 4.340 0.001 0.000 0.248 62 R C 1.608 177.514 176.300 -0.656 0.000 1.155 62 R CA 1.860 57.570 56.100 -0.650 0.000 0.979 62 R CB -1.673 27.944 30.300 -1.139 0.000 0.869 62 R HN 0.399 nan 8.270 nan 0.000 0.452 63 F N -4.024 115.919 119.950 -0.012 0.000 2.746 63 F HA 0.316 4.844 4.527 0.001 0.000 0.313 63 F C 0.573 176.403 175.800 0.050 0.000 1.095 63 F CA -1.876 56.114 58.000 -0.016 0.000 1.224 63 F CB -0.220 38.739 39.000 -0.067 0.000 1.060 63 F HN 0.229 nan 8.300 nan 0.000 0.584 64 W N 2.655 123.951 121.300 -0.008 0.000 2.251 64 W HA 0.417 5.078 4.660 0.001 0.000 0.327 64 W C -0.392 176.108 176.519 -0.032 0.000 1.361 64 W CA -0.636 56.690 57.345 -0.032 0.000 1.234 64 W CB 0.770 30.205 29.460 -0.042 0.000 1.212 64 W HN -0.306 nan 8.180 nan 0.000 0.557 65 V N 7.232 126.885 119.914 -0.435 0.000 2.220 65 V HA 0.325 4.445 4.120 0.001 0.000 0.265 65 V C 0.869 176.400 176.094 -0.937 0.000 1.078 65 V CA -0.927 61.074 62.300 -0.500 0.000 0.872 65 V CB -0.732 30.949 31.823 -0.236 0.000 1.121 65 V HN 0.536 nan 8.190 nan 0.000 0.460 66 R N 2.115 121.817 120.500 -1.330 0.000 2.561 66 R HA 0.418 4.759 4.340 0.001 0.000 0.347 66 R C 1.460 177.398 176.300 -0.603 0.000 0.916 66 R CA 0.956 56.197 56.100 -1.431 0.000 1.063 66 R CB -1.121 28.516 30.300 -1.106 0.000 0.916 66 R HN 1.922 nan 8.270 nan 0.000 0.410 67 G N -1.309 107.256 108.800 -0.393 0.000 2.211 67 G HA2 0.039 4.000 3.960 0.001 0.000 0.201 67 G HA3 0.039 4.000 3.960 0.001 0.000 0.201 67 G C 0.706 175.538 174.900 -0.114 0.000 0.997 67 G CA 0.861 45.858 45.100 -0.171 0.000 0.652 67 G HN 1.589 nan 8.290 nan 0.000 0.500 68 E N -0.371 119.741 120.200 -0.147 0.000 2.505 68 E HA 0.604 4.955 4.350 0.001 0.000 0.212 68 E C 1.384 177.974 176.600 -0.018 0.000 0.825 68 E CA 1.207 57.563 56.400 -0.073 0.000 1.333 68 E CB 0.250 29.897 29.700 -0.088 0.000 1.319 68 E HN 1.680 nan 8.360 nan 0.000 0.658 69 G N 2.345 111.135 108.800 -0.016 0.000 2.348 69 G HA2 0.586 4.547 3.960 0.001 0.000 0.312 69 G HA3 0.586 4.547 3.960 0.001 0.000 0.312 69 G C -2.457 172.632 174.900 0.315 0.000 1.126 69 G CA -0.911 44.271 45.100 0.137 0.000 0.865 69 G HN 0.132 nan 8.290 nan 0.000 0.474 70 P HA 0.352 nan 4.420 nan 0.000 0.279 70 P C -0.460 176.916 177.300 0.126 0.000 1.282 70 P CA -0.533 62.683 63.100 0.194 0.000 0.788 70 P CB 1.367 33.209 31.700 0.236 0.000 1.139 71 I N -0.037 120.626 120.570 0.155 0.000 2.339 71 I HA 0.236 4.407 4.170 0.001 0.000 0.290 71 I C -0.196 176.162 176.117 0.403 0.000 0.994 71 I CA -0.573 60.780 61.300 0.088 0.000 1.191 71 I CB 0.434 38.420 38.000 -0.023 0.000 1.343 71 I HN 0.049 nan 8.210 nan 0.000 0.458 72 F N 6.766 126.738 119.950 0.037 0.000 2.335 72 F HA 0.315 4.842 4.527 0.001 0.000 0.365 72 F C -0.223 175.595 175.800 0.029 0.000 1.122 72 F CA -1.099 56.956 58.000 0.092 0.000 1.151 72 F CB 0.385 39.307 39.000 -0.130 0.000 1.282 72 F HN 0.220 nan 8.300 nan 0.000 0.513 73 F N 4.683 124.687 119.950 0.090 0.000 2.404 73 F HA 0.335 4.863 4.527 0.001 0.000 0.354 73 F C -0.888 174.769 175.800 -0.239 0.000 1.122 73 F CA -1.001 56.914 58.000 -0.142 0.000 1.080 73 F CB 0.618 39.496 39.000 -0.203 0.000 1.131 73 F HN 0.356 nan 8.300 nan 0.000 0.471 74 Y N 4.710 124.500 120.300 -0.850 0.000 2.341 74 Y HA 0.267 4.817 4.550 0.001 0.000 0.340 74 Y C 0.398 175.759 175.900 -0.899 0.000 0.997 74 Y CA -0.782 56.805 58.100 -0.855 0.000 1.149 74 Y CB 1.050 38.665 38.460 -1.408 0.000 1.171 74 Y HN 0.640 nan 8.280 nan 0.000 0.494 75 T N 3.224 117.231 114.554 -0.912 0.000 2.992 75 T HA 0.380 4.731 4.350 0.001 0.000 0.299 75 T C 0.699 175.054 174.700 -0.576 0.000 1.027 75 T CA -0.487 60.995 62.100 -1.031 0.000 1.001 75 T CB -0.303 68.051 68.868 -0.857 0.000 1.005 75 T HN 0.910 nan 8.240 nan 0.000 0.599 76 G N 3.954 112.643 108.800 -0.185 0.000 2.474 76 G HA2 0.290 4.250 3.960 0.001 0.000 0.233 76 G HA3 0.290 4.250 3.960 0.001 0.000 0.233 76 G C 0.364 175.292 174.900 0.046 0.000 1.278 76 G CA -0.675 44.466 45.100 0.068 0.000 0.861 76 G HN 0.869 nan 8.290 nan 0.000 0.567 77 N N 0.158 118.667 118.700 -0.318 0.000 3.223 77 N HA 0.124 4.865 4.740 0.001 0.000 0.350 77 N C 0.683 176.023 175.510 -0.283 0.000 1.425 77 N CA -0.595 52.309 53.050 -0.243 0.000 0.668 77 N CB 0.145 38.391 38.487 -0.403 0.000 1.435 77 N HN 0.481 nan 8.380 nan 0.000 0.569 78 E N 0.466 120.407 120.200 -0.431 0.000 3.079 78 E HA 0.231 4.582 4.350 0.001 0.000 0.267 78 E C 0.005 176.315 176.600 -0.484 0.000 1.509 78 E CA -0.184 55.597 56.400 -1.031 0.000 1.630 78 E CB -1.235 28.035 29.700 -0.717 0.000 1.373 78 E HN 0.631 nan 8.360 nan 0.000 0.439 79 G N 0.038 108.756 108.800 -0.136 0.000 2.430 79 G HA2 0.051 4.012 3.960 0.001 0.000 0.300 79 G HA3 0.051 4.012 3.960 0.001 0.000 0.300 79 G C -1.678 173.350 174.900 0.213 0.000 1.330 79 G CA -0.771 44.403 45.100 0.123 0.000 0.813 79 G HN 0.127 nan 8.290 nan 0.000 0.487 80 D N -0.012 120.425 120.400 0.061 0.000 2.450 80 D HA 0.027 4.667 4.640 0.001 0.000 0.247 80 D C 1.617 177.896 176.300 -0.035 0.000 1.162 80 D CA 0.075 54.124 54.000 0.081 0.000 0.879 80 D CB 1.811 42.656 40.800 0.074 0.000 1.163 80 D HN 0.115 nan 8.370 nan 0.000 0.472 81 V N 5.269 125.245 119.914 0.103 0.000 2.568 81 V HA -0.230 3.890 4.120 0.001 0.000 0.253 81 V C 1.461 177.421 176.094 -0.223 0.000 1.072 81 V CA 1.488 63.822 62.300 0.056 0.000 1.084 81 V CB -0.439 31.386 31.823 0.004 0.000 0.676 81 V HN 0.654 nan 8.190 nan 0.000 0.469 82 W N -0.221 120.960 121.300 -0.199 0.000 2.402 82 W HA -0.025 4.636 4.660 0.001 0.000 0.286 82 W C 2.515 178.847 176.519 -0.312 0.000 1.221 82 W CA 1.238 58.414 57.345 -0.280 0.000 1.257 82 W CB -0.475 28.870 29.460 -0.191 0.000 1.120 82 W HN 0.263 nan 8.180 nan 0.000 0.551 83 A N -0.477 122.258 122.820 -0.142 0.000 2.019 83 A HA -0.149 4.172 4.320 0.001 0.000 0.219 83 A C 1.531 178.929 177.584 -0.311 0.000 1.164 83 A CA 1.293 53.189 52.037 -0.235 0.000 0.644 83 A CB -1.005 17.820 19.000 -0.291 0.000 0.805 83 A HN 0.306 nan 8.150 nan 0.000 0.449 84 F N -0.509 119.413 119.950 -0.047 0.000 2.473 84 F HA 0.239 4.767 4.527 0.001 0.000 0.294 84 F C 2.572 178.121 175.800 -0.418 0.000 1.103 84 F CA 0.281 58.174 58.000 -0.179 0.000 1.442 84 F CB -0.599 38.253 39.000 -0.247 0.000 1.097 84 F HN 0.212 nan 8.300 nan 0.000 0.547 85 A N 0.381 122.865 122.820 -0.559 0.000 1.968 85 A HA -0.098 4.223 4.320 0.001 0.000 0.217 85 A C 1.866 179.213 177.584 -0.396 0.000 1.169 85 A CA 1.435 52.849 52.037 -1.037 0.000 0.638 85 A CB -0.588 17.536 19.000 -1.461 0.000 0.812 85 A HN 0.271 nan 8.150 nan 0.000 0.446 86 N N 0.338 118.906 118.700 -0.220 0.000 2.446 86 N HA -0.016 4.724 4.740 0.001 0.000 0.179 86 N C 0.861 176.268 175.510 -0.172 0.000 1.054 86 N CA 0.753 53.733 53.050 -0.116 0.000 0.905 86 N CB -0.137 38.311 38.487 -0.065 0.000 0.973 86 N HN 0.532 nan 8.380 nan 0.000 0.448 87 N N -0.853 117.691 118.700 -0.260 0.000 2.210 87 N HA 0.116 4.857 4.740 0.001 0.000 0.203 87 N C -0.483 174.912 175.510 -0.191 0.000 1.175 87 N CA 0.167 52.989 53.050 -0.380 0.000 0.894 87 N CB 0.741 38.613 38.487 -1.026 0.000 1.041 87 N HN -0.097 nan 8.380 nan 0.000 0.506 88 S N 0.910 116.569 115.700 -0.068 0.000 2.497 88 S HA 0.351 4.822 4.470 0.001 0.000 0.193 88 S C 1.129 175.810 174.600 0.134 0.000 1.360 88 S CA -0.456 57.796 58.200 0.086 0.000 1.204 88 S CB 0.935 64.231 63.200 0.160 0.000 1.171 88 S HN 0.278 nan 8.310 nan 0.000 0.502 89 A N 1.057 123.929 122.820 0.087 0.000 2.070 89 A HA -0.057 4.264 4.320 0.001 0.000 0.220 89 A C 1.572 179.230 177.584 0.123 0.000 1.159 89 A CA 1.030 53.120 52.037 0.089 0.000 0.656 89 A CB -0.651 nan 19.000 nan 0.000 0.800 89 A HN 0.665 nan 8.150 nan 0.000 0.453 90 F N 0.991 120.956 119.950 0.024 0.000 2.202 90 F HA -0.168 4.359 4.527 0.001 0.000 0.301 90 F C 1.990 177.780 175.800 -0.016 0.000 1.082 90 F CA 1.811 59.819 58.000 0.013 0.000 1.313 90 F CB -0.355 38.666 39.000 0.035 0.000 1.024 90 F HN 0.040 nan 8.300 nan 0.000 0.495 91 V N 0.799 120.571 119.914 -0.236 0.000 2.295 91 V HA -0.282 3.839 4.120 0.001 0.000 0.246 91 V C 2.835 178.814 176.094 -0.191 0.000 1.049 91 V CA 1.855 63.865 62.300 -0.483 0.000 1.024 91 V CB -1.844 29.702 31.823 -0.461 0.000 0.648 91 V HN 0.465 nan 8.190 nan 0.000 0.447 92 A N -0.458 122.352 122.820 -0.016 0.000 1.969 92 A HA -0.196 4.125 4.320 0.001 0.000 0.218 92 A C 2.199 179.646 177.584 -0.228 0.000 1.169 92 A CA 1.662 53.682 52.037 -0.028 0.000 0.635 92 A CB -0.389 18.640 19.000 0.049 0.000 0.810 92 A HN 0.644 nan 8.150 nan 0.000 0.445 93 E N -0.813 119.265 120.200 -0.203 0.000 2.046 93 E HA -0.141 4.210 4.350 0.001 0.000 0.190 93 E C 1.889 178.328 176.600 -0.268 0.000 0.982 93 E CA 1.077 57.343 56.400 -0.223 0.000 0.800 93 E CB -0.236 29.419 29.700 -0.074 0.000 0.756 93 E HN 0.474 nan 8.360 nan 0.000 0.449 94 L N 0.987 122.023 121.223 -0.312 0.000 2.141 94 L HA -0.052 4.288 4.340 0.001 0.000 0.209 94 L C 2.131 178.971 176.870 -0.049 0.000 1.094 94 L CA 1.584 56.317 54.840 -0.179 0.000 0.763 94 L CB -0.467 41.394 42.059 -0.331 0.000 0.908 94 L HN 0.009 nan 8.230 nan 0.000 0.437 95 A N -0.732 121.986 122.820 -0.170 0.000 1.930 95 A HA -0.008 4.313 4.320 0.001 0.000 0.217 95 A C 2.435 179.769 177.584 -0.418 0.000 1.175 95 A CA 1.418 53.191 52.037 -0.440 0.000 0.627 95 A CB -0.934 17.901 19.000 -0.274 0.000 0.815 95 A HN 0.504 nan 8.150 nan 0.000 0.443 96 A N -0.691 121.724 122.820 -0.676 0.000 1.898 96 A HA 0.101 4.422 4.320 0.001 0.000 0.216 96 A C 2.137 179.502 177.584 -0.366 0.000 1.181 96 A CA 2.220 53.716 52.037 -0.902 0.000 0.620 96 A CB -0.890 17.420 19.000 -1.149 0.000 0.819 96 A HN 0.703 nan 8.150 nan 0.000 0.442 97 E N -1.036 119.010 120.200 -0.256 0.000 2.158 97 E HA 0.030 4.380 4.350 0.001 0.000 0.191 97 E C 1.987 178.534 176.600 -0.087 0.000 0.982 97 E CA 1.600 57.921 56.400 -0.132 0.000 0.823 97 E CB -0.834 28.814 29.700 -0.088 0.000 0.766 97 E HN 0.811 nan 8.360 nan 0.000 0.468 98 R N -0.452 119.985 120.500 -0.105 0.000 2.432 98 R HA 0.528 4.868 4.340 0.001 0.000 0.260 98 R C 2.009 178.254 176.300 -0.091 0.000 0.935 98 R CA 1.033 57.091 56.100 -0.070 0.000 1.080 98 R CB -0.945 29.353 30.300 -0.004 0.000 1.155 98 R HN 1.402 nan 8.270 nan 0.000 0.531 99 G N -0.676 108.072 108.800 -0.087 0.000 2.225 99 G HA2 0.044 4.005 3.960 0.001 0.000 0.267 99 G HA3 0.044 4.005 3.960 0.001 0.000 0.267 99 G C 0.495 175.423 174.900 0.048 0.000 1.024 99 G CA 0.657 45.756 45.100 -0.001 0.000 0.784 99 G HN 1.560 nan 8.290 nan 0.000 0.507 100 A N -0.769 121.960 122.820 -0.153 0.000 2.316 100 A HA 0.777 5.097 4.320 0.001 0.000 0.284 100 A C 0.462 177.959 177.584 -0.145 0.000 1.115 100 A CA -0.235 51.634 52.037 -0.280 0.000 0.812 100 A CB 0.951 19.203 19.000 -1.247 0.000 1.064 100 A HN 1.490 nan 8.150 nan 0.000 0.489 101 L N 1.679 122.760 121.223 -0.238 0.000 2.426 101 L HA 0.387 4.727 4.340 0.001 0.000 0.271 101 L C -0.777 175.984 176.870 -0.181 0.000 1.169 101 L CA -0.103 54.480 54.840 -0.427 0.000 0.836 101 L CB 0.543 41.926 42.059 -1.126 0.000 1.112 101 L HN 0.549 nan 8.230 nan 0.000 0.465 102 L N 6.005 127.205 121.223 -0.038 0.000 2.298 102 L HA 0.537 4.878 4.340 0.001 0.000 0.284 102 L C -0.861 176.125 176.870 0.193 0.000 1.013 102 L CA -0.118 54.817 54.840 0.158 0.000 0.824 102 L CB 1.450 43.685 42.059 0.292 0.000 1.221 102 L HN 0.365 nan 8.230 nan 0.000 0.418 103 V N 5.348 125.309 119.914 0.078 0.000 2.483 103 V HA 0.447 4.568 4.120 0.001 0.000 0.297 103 V C -0.809 175.092 176.094 -0.322 0.000 1.027 103 V CA -0.536 61.731 62.300 -0.055 0.000 0.855 103 V CB 1.780 33.524 31.823 -0.133 0.000 0.995 103 V HN 0.422 nan 8.190 nan 0.000 0.424 104 F N 3.481 123.206 119.950 -0.375 0.000 2.366 104 F HA 0.697 5.224 4.527 0.001 0.000 0.366 104 F C 0.603 176.176 175.800 -0.379 0.000 1.096 104 F CA -0.466 57.266 58.000 -0.446 0.000 1.060 104 F CB 1.578 40.208 39.000 -0.617 0.000 1.282 104 F HN 0.555 nan 8.300 nan 0.000 0.450 105 A N 3.593 126.187 122.820 -0.377 0.000 2.276 105 A HA 0.345 4.666 4.320 0.001 0.000 0.300 105 A C -0.066 177.612 177.584 0.156 0.000 1.235 105 A CA -0.501 51.455 52.037 -0.135 0.000 0.867 105 A CB 0.327 19.155 19.000 -0.287 0.000 1.137 105 A HN 0.741 nan 8.150 nan 0.000 0.527 106 E N 1.968 122.321 120.200 0.255 0.000 2.316 106 E HA 0.055 4.406 4.350 0.001 0.000 0.275 106 E C -0.242 176.668 176.600 0.517 0.000 1.029 106 E CA -0.394 56.226 56.400 0.366 0.000 0.871 106 E CB 0.369 30.244 29.700 0.292 0.000 1.022 106 E HN 0.763 nan 8.360 nan 0.000 0.418 107 H N 4.873 124.238 119.070 0.493 0.000 2.886 107 H HA 0.021 4.578 4.556 0.001 0.000 0.329 107 H C -0.061 175.593 175.328 0.543 0.000 1.044 107 H CA -0.094 56.268 56.048 0.523 0.000 1.456 107 H CB 0.420 30.520 29.762 0.564 0.000 1.464 107 H HN 0.571 nan 8.280 nan 0.000 0.573 108 R N 3.513 124.333 120.500 0.533 0.000 2.697 108 R HA -0.095 4.245 4.340 0.001 0.000 0.265 108 R C -0.238 176.406 176.300 0.573 0.000 1.009 108 R CA 0.244 56.634 56.100 0.483 0.000 1.099 108 R CB 0.086 30.597 30.300 0.352 0.000 0.965 108 R HN 0.854 nan 8.270 nan 0.000 0.428 109 Y N -2.092 118.217 120.300 0.016 0.000 4.897 109 Y HA -0.338 4.212 4.550 0.001 0.000 0.263 109 Y C -0.519 175.243 175.900 -0.230 0.000 0.945 109 Y CA 1.563 59.558 58.100 -0.175 0.000 1.858 109 Y CB -1.777 36.502 38.460 -0.302 0.000 1.296 109 Y HN 0.644 nan 8.280 nan 0.000 0.490 110 Y N -0.102 120.408 120.300 0.349 0.000 2.457 110 Y HA 0.565 5.116 4.550 0.001 0.000 0.333 110 Y C 1.325 177.380 175.900 0.258 0.000 1.119 110 Y CA -0.274 58.001 58.100 0.291 0.000 1.143 110 Y CB 1.176 39.824 38.460 0.313 0.000 1.230 110 Y HN 0.152 nan 8.280 nan 0.000 0.469 111 G N 0.945 109.977 108.800 0.387 0.000 2.629 111 G HA2 -0.363 3.598 3.960 0.001 0.000 0.313 111 G HA3 -0.363 3.598 3.960 0.001 0.000 0.313 111 G C 0.828 175.871 174.900 0.238 0.000 1.217 111 G CA 0.799 46.069 45.100 0.283 0.000 0.994 111 G HN 0.468 nan 8.290 nan 0.000 0.549 112 K N 0.353 120.907 120.400 0.258 0.000 2.374 112 K HA 0.496 4.817 4.320 0.001 0.000 0.196 112 K C 1.366 178.134 176.600 0.280 0.000 1.023 112 K CA 0.917 57.356 56.287 0.254 0.000 1.103 112 K CB 0.876 33.572 32.500 0.327 0.000 0.848 112 K HN 0.593 nan 8.250 nan 0.000 0.528 113 S N 2.177 118.062 115.700 0.309 0.000 3.869 113 S HA 0.329 4.800 4.470 0.001 0.000 0.241 113 S C -0.305 174.397 174.600 0.170 0.000 1.363 113 S CA -0.264 58.154 58.200 0.363 0.000 0.894 113 S CB -0.643 62.824 63.200 0.445 0.000 1.519 113 S HN 0.249 nan 8.310 nan 0.000 0.470 114 L N 2.842 124.078 121.223 0.022 0.000 2.318 114 L HA 0.379 4.720 4.340 0.001 0.000 0.277 114 L C -1.941 174.601 176.870 -0.546 0.000 1.008 114 L CA -2.097 52.567 54.840 -0.294 0.000 0.846 114 L CB 1.332 43.291 42.059 -0.166 0.000 1.220 114 L HN 0.137 nan 8.230 nan 0.000 0.423 115 P HA -0.121 nan 4.420 nan 0.000 0.219 115 P C 0.322 176.932 177.300 -1.150 0.000 1.146 115 P CA 1.486 63.686 63.100 -1.499 0.000 0.808 115 P CB 0.097 30.624 31.700 -1.954 0.000 0.779 116 F N -1.870 117.794 119.950 -0.476 0.000 2.835 116 F HA 0.487 5.015 4.527 0.001 0.000 0.342 116 F C 1.492 177.145 175.800 -0.245 0.000 1.202 116 F CA 0.003 57.826 58.000 -0.296 0.000 1.240 116 F CB 0.017 38.868 39.000 -0.248 0.000 1.005 116 F HN -0.062 nan 8.300 nan 0.000 0.507 117 G N 1.339 110.072 108.800 -0.112 0.000 2.593 117 G HA2 -0.147 3.813 3.960 0.001 0.000 0.237 117 G HA3 -0.147 3.813 3.960 0.001 0.000 0.237 117 G C 1.119 175.972 174.900 -0.078 0.000 1.312 117 G CA -0.045 45.008 45.100 -0.078 0.000 0.896 117 G HN 0.547 nan 8.290 nan 0.000 0.574 118 A N -1.698 121.093 122.820 -0.048 0.000 1.978 118 A HA 0.253 4.574 4.320 0.001 0.000 0.220 118 A C 2.772 180.338 177.584 -0.031 0.000 1.170 118 A CA 3.404 55.428 52.037 -0.023 0.000 0.636 118 A CB -1.039 17.959 19.000 -0.005 0.000 0.810 118 A HN 2.312 nan 8.150 nan 0.000 0.448 119 Q N -0.534 119.208 119.800 -0.097 0.000 2.482 119 Q HA 0.153 4.493 4.340 0.001 0.000 0.209 119 Q C 1.894 177.796 176.000 -0.164 0.000 0.961 119 Q CA 1.251 56.953 55.803 -0.169 0.000 0.945 119 Q CB -1.132 27.398 28.738 -0.346 0.000 1.012 119 Q HN 0.704 nan 8.270 nan 0.000 0.515 120 S N 0.886 116.552 115.700 -0.056 0.000 2.399 120 S HA -0.115 4.356 4.470 0.001 0.000 0.231 120 S C 2.066 176.813 174.600 0.246 0.000 1.022 120 S CA 1.635 59.879 58.200 0.073 0.000 0.983 120 S CB -0.154 62.901 63.200 -0.242 0.000 0.803 120 S HN 0.944 nan 8.310 nan 0.000 0.480 121 T N -0.206 114.460 114.554 0.187 0.000 3.219 121 T HA 0.206 4.556 4.350 0.001 0.000 0.249 121 T C 0.334 175.266 174.700 0.386 0.000 1.099 121 T CA -0.221 62.032 62.100 0.255 0.000 0.988 121 T CB 0.017 69.010 68.868 0.208 0.000 0.999 121 T HN 0.046 nan 8.240 nan 0.000 0.550 122 Q N 1.557 121.562 119.800 0.341 0.000 2.215 122 Q HA 0.372 4.713 4.340 0.001 0.000 0.256 122 Q C -0.152 176.116 176.000 0.447 0.000 0.972 122 Q CA -0.792 55.213 55.803 0.336 0.000 0.889 122 Q CB 1.645 30.519 28.738 0.226 0.000 1.281 122 Q HN 0.406 nan 8.270 nan 0.000 0.456 123 R N -0.071 120.584 120.500 0.258 0.000 2.458 123 R HA 0.211 4.551 4.340 0.001 0.000 0.303 123 R C 0.429 176.791 176.300 0.102 0.000 1.013 123 R CA 1.372 57.595 56.100 0.206 0.000 1.026 123 R CB -0.452 29.825 30.300 -0.038 0.000 0.948 123 R HN 0.900 nan 8.270 nan 0.000 0.417 124 G N 3.816 112.643 108.800 0.045 0.000 2.131 124 G HA2 -0.184 3.776 3.960 0.001 0.000 0.201 124 G HA3 -0.184 3.776 3.960 0.001 0.000 0.201 124 G C 0.095 174.667 174.900 -0.547 0.000 1.000 124 G CA 0.002 44.974 45.100 -0.213 0.000 0.680 124 G HN 0.814 nan 8.290 nan 0.000 0.514 125 H N -0.952 118.085 119.070 -0.056 0.000 3.650 125 H HA 0.081 4.638 4.556 0.001 0.000 0.260 125 H C 2.120 177.483 175.328 0.059 0.000 1.194 125 H CA 0.928 56.877 56.048 -0.165 0.000 1.135 125 H CB 0.299 29.988 29.762 -0.121 0.000 1.612 125 H HN 0.508 nan 8.280 nan 0.000 0.703 126 T N -0.640 113.896 114.554 -0.031 0.000 3.113 126 T HA -0.084 4.267 4.350 0.001 0.000 0.256 126 T C 1.697 176.071 174.700 -0.544 0.000 1.131 126 T CA 0.679 62.463 62.100 -0.527 0.000 1.074 126 T CB 0.081 68.132 68.868 -1.362 0.000 0.944 126 T HN 0.538 nan 8.240 nan 0.000 0.516 127 E N 1.948 122.084 120.200 -0.106 0.000 2.187 127 E HA -0.179 4.172 4.350 0.001 0.000 0.199 127 E C 1.663 178.346 176.600 0.138 0.000 1.004 127 E CA 1.168 57.613 56.400 0.076 0.000 0.813 127 E CB -0.779 29.017 29.700 0.159 0.000 0.736 127 E HN 0.530 nan 8.360 nan 0.000 0.468 128 L N 0.639 121.979 121.223 0.195 0.000 2.611 128 L HA 0.187 4.528 4.340 0.001 0.000 0.229 128 L C 0.666 177.587 176.870 0.086 0.000 1.137 128 L CA -0.496 54.474 54.840 0.216 0.000 0.901 128 L CB 0.170 42.370 42.059 0.235 0.000 1.098 128 L HN 0.164 nan 8.230 nan 0.000 0.456 129 L N 1.876 122.917 121.223 -0.302 0.000 2.356 129 L HA 0.319 4.660 4.340 0.001 0.000 0.282 129 L C 0.259 177.147 176.870 0.028 0.000 1.132 129 L CA 0.415 54.996 54.840 -0.431 0.000 0.923 129 L CB 0.114 41.467 42.059 -1.177 0.000 1.278 129 L HN 0.123 nan 8.230 nan 0.000 0.436 130 T N 0.065 114.716 114.554 0.162 0.000 2.812 130 T HA 0.411 4.761 4.350 0.001 0.000 0.294 130 T C 0.832 175.726 174.700 0.323 0.000 1.159 130 T CA -0.343 61.893 62.100 0.227 0.000 1.008 130 T CB 0.991 69.977 68.868 0.196 0.000 1.289 130 T HN -0.048 nan 8.240 nan 0.000 0.514 131 V N 0.855 120.989 119.914 0.367 0.000 2.379 131 V HA -0.026 4.095 4.120 0.001 0.000 0.245 131 V C 2.630 178.935 176.094 0.352 0.000 1.044 131 V CA 1.908 64.451 62.300 0.406 0.000 1.036 131 V CB -0.988 31.057 31.823 0.370 0.000 0.664 131 V HN 0.908 nan 8.190 nan 0.000 0.453 132 E N -0.179 120.258 120.200 0.394 0.000 2.077 132 E HA -0.190 4.161 4.350 0.001 0.000 0.193 132 E C 2.369 179.274 176.600 0.508 0.000 0.989 132 E CA 1.019 57.664 56.400 0.410 0.000 0.800 132 E CB -0.247 29.516 29.700 0.105 0.000 0.746 132 E HN 0.514 nan 8.360 nan 0.000 0.452 133 Q N -0.149 119.928 119.800 0.461 0.000 2.046 133 Q HA -0.068 4.273 4.340 0.001 0.000 0.200 133 Q C 2.284 178.391 176.000 0.177 0.000 0.975 133 Q CA 1.509 57.597 55.803 0.474 0.000 0.836 133 Q CB -0.390 28.592 28.738 0.406 0.000 0.896 133 Q HN 0.323 nan 8.270 nan 0.000 0.428 134 A N 0.821 123.637 122.820 -0.006 0.000 1.933 134 A HA -0.119 4.201 4.320 0.001 0.000 0.218 134 A C 2.227 179.378 177.584 -0.723 0.000 1.175 134 A CA 0.998 52.754 52.037 -0.469 0.000 0.628 134 A CB -0.624 17.957 19.000 -0.697 0.000 0.814 134 A HN 0.284 nan 8.150 nan 0.000 0.444 135 L N -1.009 120.079 121.223 -0.225 0.000 2.109 135 L HA -0.121 4.219 4.340 0.001 0.000 0.207 135 L C 3.045 179.762 176.870 -0.254 0.000 1.086 135 L CA 0.887 55.684 54.840 -0.072 0.000 0.760 135 L CB -0.455 41.764 42.059 0.266 0.000 0.910 135 L HN 0.424 nan 8.230 nan 0.000 0.437 136 A N -0.240 122.453 122.820 -0.211 0.000 1.969 136 A HA -0.208 4.113 4.320 0.001 0.000 0.218 136 A C 1.875 179.074 177.584 -0.642 0.000 1.169 136 A CA 1.737 53.469 52.037 -0.508 0.000 0.635 136 A CB -0.413 18.192 19.000 -0.658 0.000 0.810 136 A HN 0.323 nan 8.150 nan 0.000 0.445 137 D N -0.415 119.730 120.400 -0.425 0.000 2.097 137 D HA -0.134 4.506 4.640 0.001 0.000 0.195 137 D C 1.591 177.838 176.300 -0.090 0.000 0.989 137 D CA 1.178 55.091 54.000 -0.146 0.000 0.827 137 D CB -0.463 40.254 40.800 -0.138 0.000 0.966 137 D HN 0.415 nan 8.370 nan 0.000 0.456 138 F N 1.385 121.271 119.950 -0.108 0.000 2.126 138 F HA -0.070 4.458 4.527 0.001 0.000 0.299 138 F C 2.512 178.061 175.800 -0.419 0.000 1.096 138 F CA 0.535 58.464 58.000 -0.120 0.000 1.255 138 F CB -1.273 37.693 39.000 -0.056 0.000 0.997 138 F HN -0.079 nan 8.300 nan 0.000 0.479 139 A N -0.083 122.514 122.820 -0.372 0.000 1.877 139 A HA -0.171 4.149 4.320 0.001 0.000 0.216 139 A C 2.195 179.573 177.584 -0.343 0.000 1.186 139 A CA 1.632 53.352 52.037 -0.527 0.000 0.620 139 A CB -0.732 17.737 19.000 -0.885 0.000 0.822 139 A HN 0.409 nan 8.150 nan 0.000 0.443 140 E N -0.768 119.295 120.200 -0.228 0.000 2.150 140 E HA -0.159 4.192 4.350 0.001 0.000 0.193 140 E C 1.949 178.454 176.600 -0.159 0.000 0.985 140 E CA 1.155 57.516 56.400 -0.065 0.000 0.814 140 E CB -0.226 29.550 29.700 0.126 0.000 0.752 140 E HN 0.529 nan 8.360 nan 0.000 0.466 141 L N 0.922 121.972 121.223 -0.288 0.000 2.056 141 L HA -0.115 4.226 4.340 0.001 0.000 0.207 141 L C 2.095 178.639 176.870 -0.544 0.000 1.078 141 L CA 1.366 55.791 54.840 -0.692 0.000 0.749 141 L CB -0.369 41.450 42.059 -0.399 0.000 0.901 141 L HN 0.055 nan 8.230 nan 0.000 0.433 142 L N -0.597 120.355 121.223 -0.451 0.000 2.017 142 L HA -0.209 4.131 4.340 0.001 0.000 0.208 142 L C 2.849 179.519 176.870 -0.334 0.000 1.073 142 L CA 1.535 56.092 54.840 -0.472 0.000 0.745 142 L CB -0.409 41.258 42.059 -0.652 0.000 0.894 142 L HN 0.220 nan 8.230 nan 0.000 0.432 143 R N -0.778 119.553 120.500 -0.282 0.000 2.096 143 R HA -0.157 4.184 4.340 0.001 0.000 0.235 143 R C 2.275 178.483 176.300 -0.153 0.000 1.127 143 R CA 1.274 57.266 56.100 -0.180 0.000 0.968 143 R CB -0.378 29.848 30.300 -0.123 0.000 0.861 143 R HN 0.403 nan 8.270 nan 0.000 0.440 144 A N 0.852 123.541 122.820 -0.219 0.000 1.897 144 A HA -0.090 4.231 4.320 0.001 0.000 0.215 144 A C 2.124 179.582 177.584 -0.210 0.000 1.181 144 A CA 0.910 52.823 52.037 -0.206 0.000 0.620 144 A CB -0.364 18.396 19.000 -0.399 0.000 0.821 144 A HN 0.170 nan 8.150 nan 0.000 0.443 145 L N -0.929 120.118 121.223 -0.293 0.000 2.027 145 L HA -0.173 4.168 4.340 0.001 0.000 0.206 145 L C 2.848 179.642 176.870 -0.127 0.000 1.074 145 L CA 1.341 56.044 54.840 -0.229 0.000 0.745 145 L CB -0.434 41.455 42.059 -0.282 0.000 0.898 145 L HN 0.340 nan 8.230 nan 0.000 0.433 146 R N -0.453 119.976 120.500 -0.118 0.000 2.105 146 R HA -0.159 4.182 4.340 0.001 0.000 0.239 146 R C 2.417 178.712 176.300 -0.007 0.000 1.135 146 R CA 1.229 57.300 56.100 -0.047 0.000 0.967 146 R CB -0.272 29.994 30.300 -0.056 0.000 0.861 146 R HN 0.381 nan 8.270 nan 0.000 0.442 147 R N 0.482 120.969 120.500 -0.023 0.000 2.064 147 R HA -0.093 4.247 4.340 0.001 0.000 0.228 147 R C 1.888 178.204 176.300 0.026 0.000 1.144 147 R CA 1.615 57.719 56.100 0.006 0.000 0.932 147 R CB -0.276 30.028 30.300 0.005 0.000 0.833 147 R HN 0.235 nan 8.270 nan 0.000 0.429 148 D N 0.621 121.033 120.400 0.021 0.000 2.144 148 D HA -0.138 4.503 4.640 0.001 0.000 0.199 148 D C 1.545 177.885 176.300 0.066 0.000 0.984 148 D CA 1.180 55.207 54.000 0.045 0.000 0.834 148 D CB 0.008 40.837 40.800 0.048 0.000 0.955 148 D HN 0.083 nan 8.370 nan 0.000 0.465 149 L N -0.183 121.083 121.223 0.072 0.000 2.592 149 L HA 0.239 4.580 4.340 0.001 0.000 0.227 149 L C 1.298 178.280 176.870 0.185 0.000 1.127 149 L CA 0.193 55.121 54.840 0.146 0.000 0.884 149 L CB -0.507 41.630 42.059 0.129 0.000 1.065 149 L HN 0.035 nan 8.230 nan 0.000 0.457 150 G N 0.664 109.532 108.800 0.114 0.000 2.393 150 G HA2 -0.153 3.808 3.960 0.001 0.000 0.299 150 G HA3 -0.153 3.808 3.960 0.001 0.000 0.299 150 G C 0.489 175.462 174.900 0.121 0.000 0.990 150 G CA 0.468 45.624 45.100 0.093 0.000 1.118 150 G HN 0.605 nan 8.290 nan 0.000 0.513 151 A N -0.392 122.514 122.820 0.144 0.000 3.129 151 A HA 0.658 4.979 4.320 0.001 0.000 0.282 151 A C 1.208 178.854 177.584 0.102 0.000 0.948 151 A CA 0.547 52.693 52.037 0.181 0.000 1.027 151 A CB 0.318 19.551 19.000 0.390 0.000 1.123 151 A HN 0.350 nan 8.150 nan 0.000 0.485 152 Q N 0.224 120.061 119.800 0.061 0.000 2.135 152 Q HA -0.097 4.244 4.340 0.001 0.000 0.204 152 Q C 1.659 177.677 176.000 0.031 0.000 0.981 152 Q CA 2.523 58.345 55.803 0.032 0.000 0.856 152 Q CB -0.142 28.612 28.738 0.027 0.000 0.902 152 Q HN 0.836 nan 8.270 nan 0.000 0.425 153 D N -0.791 119.636 120.400 0.045 0.000 2.340 153 D HA 0.515 5.156 4.640 0.001 0.000 0.217 153 D C 0.265 176.600 176.300 0.059 0.000 1.081 153 D CA 0.404 54.430 54.000 0.043 0.000 0.842 153 D CB 0.029 40.851 40.800 0.036 0.000 0.934 153 D HN 0.370 nan 8.370 nan 0.000 0.511 154 A N 1.608 124.479 122.820 0.085 0.000 2.354 154 A HA 0.581 4.902 4.320 0.001 0.000 0.281 154 A C -2.544 175.089 177.584 0.082 0.000 1.174 154 A CA -1.053 51.058 52.037 0.123 0.000 0.828 154 A CB 0.356 19.490 19.000 0.222 0.000 1.099 154 A HN 0.195 nan 8.150 nan 0.000 0.516 155 P HA 0.430 nan 4.420 nan 0.000 0.279 155 P C -0.466 176.883 177.300 0.081 0.000 1.239 155 P CA -0.040 63.100 63.100 0.066 0.000 0.789 155 P CB 1.332 33.083 31.700 0.085 0.000 0.933 156 A N 3.731 126.563 122.820 0.020 0.000 2.324 156 A HA 0.722 5.042 4.320 0.001 0.000 0.330 156 A C -0.670 176.920 177.584 0.011 0.000 1.165 156 A CA -0.581 51.470 52.037 0.024 0.000 0.813 156 A CB 0.533 19.471 19.000 -0.104 0.000 1.197 156 A HN 0.394 nan 8.150 nan 0.000 0.484 157 I N 1.690 122.309 120.570 0.081 0.000 2.418 157 I HA 0.455 4.625 4.170 0.001 0.000 0.287 157 I C 0.544 176.568 176.117 -0.155 0.000 1.008 157 I CA -0.408 60.845 61.300 -0.078 0.000 1.104 157 I CB 0.996 38.943 38.000 -0.089 0.000 1.264 157 I HN 0.734 nan 8.210 nan 0.000 0.438 158 A N 6.884 129.518 122.820 -0.311 0.000 2.366 158 A HA 0.728 5.049 4.320 0.001 0.000 0.272 158 A C -1.035 176.220 177.584 -0.550 0.000 1.135 158 A CA 0.014 51.871 52.037 -0.300 0.000 0.804 158 A CB 0.124 18.937 19.000 -0.312 0.000 1.064 158 A HN 0.495 nan 8.150 nan 0.000 0.499 159 F N 0.881 120.574 119.950 -0.429 0.000 2.551 159 F HA 0.707 5.235 4.527 0.001 0.000 0.316 159 F C 0.681 175.918 175.800 -0.939 0.000 1.089 159 F CA 0.143 57.839 58.000 -0.507 0.000 0.915 159 F CB 2.991 41.764 39.000 -0.378 0.000 1.186 159 F HN 0.872 nan 8.300 nan 0.000 0.456 160 G N 0.508 108.896 108.800 -0.687 0.000 2.616 160 G HA2 0.523 4.483 3.960 0.001 0.000 0.294 160 G HA3 0.523 4.483 3.960 0.001 0.000 0.294 160 G C -1.742 172.828 174.900 -0.550 0.000 1.489 160 G CA -0.536 43.953 45.100 -1.019 0.000 0.836 160 G HN 0.900 nan 8.290 nan 0.000 0.527 161 G N -0.559 107.940 108.800 -0.501 0.000 2.482 161 G HA2 0.728 4.689 3.960 0.001 0.000 0.317 161 G HA3 0.728 4.689 3.960 0.001 0.000 0.317 161 G C 0.343 175.060 174.900 -0.306 0.000 1.241 161 G CA 0.893 45.666 45.100 -0.546 0.000 0.967 161 G HN 1.832 nan 8.290 nan 0.000 0.482 162 S N -0.603 115.026 115.700 -0.117 0.000 4.064 162 S HA -0.366 4.104 4.470 0.001 0.000 0.625 162 S C 1.388 175.913 174.600 -0.125 0.000 2.010 162 S CA 1.494 59.693 58.200 -0.001 0.000 4.186 162 S CB -1.624 61.675 63.200 0.164 0.000 0.211 162 S HN 1.675 nan 8.310 nan 0.000 0.605 163 Y N 2.590 122.719 120.300 -0.285 0.000 2.333 163 Y HA 0.080 4.631 4.550 0.001 0.000 0.290 163 Y C 2.153 177.906 175.900 -0.245 0.000 1.144 163 Y CA 2.355 60.306 58.100 -0.248 0.000 1.228 163 Y CB -1.079 37.198 38.460 -0.305 0.000 0.985 163 Y HN 0.481 nan 8.280 nan 0.000 0.542 164 G N -0.408 108.101 108.800 -0.486 0.000 2.448 164 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 164 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 164 G C 1.873 176.417 174.900 -0.594 0.000 1.127 164 G CA 0.658 45.389 45.100 -0.615 0.000 0.766 164 G HN 0.606 nan 8.290 nan 0.000 0.552 165 G N 0.738 109.265 108.800 -0.455 0.000 2.394 165 G HA2 -0.122 3.838 3.960 0.001 0.000 0.215 165 G HA3 -0.122 3.838 3.960 0.001 0.000 0.215 165 G C 1.858 176.509 174.900 -0.416 0.000 1.165 165 G CA 0.859 45.727 45.100 -0.386 0.000 0.784 165 G HN 0.421 nan 8.290 nan 0.000 0.535 166 M N -0.034 119.289 119.600 -0.463 0.000 2.067 166 M HA 0.062 4.542 4.480 0.001 0.000 0.260 166 M C 2.575 178.183 176.300 -1.153 0.000 1.069 166 M CA 1.128 55.956 55.300 -0.787 0.000 1.117 166 M CB -0.500 31.765 32.600 -0.558 0.000 1.334 166 M HN 0.117 nan 8.290 nan 0.000 0.407 167 L N -0.711 120.061 121.223 -0.752 0.000 2.012 167 L HA -0.239 4.102 4.340 0.001 0.000 0.210 167 L C 2.677 179.328 176.870 -0.364 0.000 1.073 167 L CA 1.185 55.751 54.840 -0.456 0.000 0.748 167 L CB -0.768 41.093 42.059 -0.331 0.000 0.891 167 L HN 0.264 nan 8.230 nan 0.000 0.431 168 S N -0.475 114.953 115.700 -0.453 0.000 2.370 168 S HA -0.230 4.241 4.470 0.001 0.000 0.226 168 S C 2.149 176.532 174.600 -0.362 0.000 1.033 168 S CA 1.350 59.303 58.200 -0.412 0.000 1.011 168 S CB -0.318 62.592 63.200 -0.483 0.000 0.852 168 S HN 0.519 nan 8.310 nan 0.000 0.457 169 A N 0.660 123.234 122.820 -0.411 0.000 1.877 169 A HA -0.080 4.240 4.320 0.001 0.000 0.216 169 A C 1.911 179.402 177.584 -0.155 0.000 1.186 169 A CA 1.507 53.345 52.037 -0.331 0.000 0.620 169 A CB -0.945 17.897 19.000 -0.263 0.000 0.822 169 A HN 0.548 nan 8.150 nan 0.000 0.443 170 Y N -0.796 119.385 120.300 -0.199 0.000 2.224 170 Y HA -0.085 4.465 4.550 0.001 0.000 0.289 170 Y C 2.147 178.034 175.900 -0.021 0.000 1.146 170 Y CA 0.605 58.606 58.100 -0.165 0.000 1.182 170 Y CB -1.108 37.158 38.460 -0.325 0.000 0.983 170 Y HN 0.299 nan 8.280 nan 0.000 0.524 171 L N 0.289 121.587 121.223 0.126 0.000 2.141 171 L HA -0.131 4.210 4.340 0.001 0.000 0.209 171 L C 2.533 179.456 176.870 0.089 0.000 1.094 171 L CA 1.563 56.502 54.840 0.165 0.000 0.763 171 L CB -0.424 41.648 42.059 0.020 0.000 0.908 171 L HN 0.007 nan 8.230 nan 0.000 0.437 172 R N -0.652 119.816 120.500 -0.053 0.000 2.062 172 R HA -0.045 4.296 4.340 0.001 0.000 0.226 172 R C 2.067 178.346 176.300 -0.035 0.000 1.125 172 R CA 1.904 57.939 56.100 -0.107 0.000 0.966 172 R CB -0.515 29.633 30.300 -0.253 0.000 0.861 172 R HN 0.342 nan 8.270 nan 0.000 0.433 173 M N 0.431 120.007 119.600 -0.039 0.000 2.065 173 M HA -0.154 4.327 4.480 0.001 0.000 0.259 173 M C 1.885 178.227 176.300 0.069 0.000 1.069 173 M CA 1.850 57.132 55.300 -0.030 0.000 1.110 173 M CB -0.131 32.244 32.600 -0.375 0.000 1.328 173 M HN -0.056 nan 8.290 nan 0.000 0.405 174 K N -0.839 119.580 120.400 0.033 0.000 2.186 174 K HA 0.014 4.335 4.320 0.001 0.000 0.202 174 K C 0.094 176.495 176.600 -0.332 0.000 1.052 174 K CA 1.118 57.344 56.287 -0.100 0.000 0.965 174 K CB 0.140 32.582 32.500 -0.098 0.000 0.746 174 K HN 0.397 nan 8.250 nan 0.000 0.457 175 Y N 0.915 121.287 120.300 0.120 0.000 2.480 175 Y HA 0.205 4.755 4.550 0.001 0.000 0.356 175 Y C -1.785 174.174 175.900 0.098 0.000 0.922 175 Y CA -1.829 56.367 58.100 0.160 0.000 1.146 175 Y CB 0.933 39.402 38.460 0.015 0.000 1.185 175 Y HN -0.002 nan 8.280 nan 0.000 0.624 176 P HA -0.187 nan 4.420 nan 0.000 0.234 176 P C 0.918 178.283 177.300 0.109 0.000 1.167 176 P CA 1.521 64.673 63.100 0.087 0.000 0.763 176 P CB 0.096 31.825 31.700 0.049 0.000 0.835 177 H N -1.142 117.932 119.070 0.006 0.000 2.551 177 H HA 0.188 4.744 4.556 0.001 0.000 0.266 177 H C 1.477 176.797 175.328 -0.014 0.000 0.964 177 H CA 0.254 56.302 56.048 0.000 0.000 1.180 177 H CB -0.849 28.923 29.762 0.017 0.000 1.408 177 H HN 0.182 nan 8.280 nan 0.000 0.563 178 L N 0.762 121.757 121.223 -0.381 0.000 2.500 178 L HA 0.197 4.538 4.340 0.001 0.000 0.219 178 L C 0.498 177.210 176.870 -0.264 0.000 1.057 178 L CA 0.042 54.654 54.840 -0.382 0.000 0.854 178 L CB 0.774 42.533 42.059 -0.500 0.000 1.078 178 L HN 0.108 nan 8.230 nan 0.000 0.480 179 V N -3.024 116.766 119.914 -0.207 0.000 2.588 179 V HA 0.732 4.853 4.120 0.001 0.000 0.304 179 V C 0.569 176.556 176.094 -0.180 0.000 1.042 179 V CA -0.329 61.851 62.300 -0.200 0.000 0.877 179 V CB 1.541 33.217 31.823 -0.245 0.000 0.996 179 V HN 0.051 nan 8.190 nan 0.000 0.425 180 A N 3.550 126.268 122.820 -0.169 0.000 2.123 180 A HA 0.763 5.083 4.320 0.001 0.000 0.214 180 A C 1.210 178.543 177.584 -0.419 0.000 1.152 180 A CA 0.936 52.860 52.037 -0.189 0.000 0.728 180 A CB -0.428 18.532 19.000 -0.067 0.000 0.814 180 A HN 1.957 nan 8.150 nan 0.000 0.464 181 G N -2.867 105.627 108.800 -0.509 0.000 2.559 181 G HA2 0.635 4.595 3.960 0.001 0.000 0.291 181 G HA3 0.635 4.595 3.960 0.001 0.000 0.291 181 G C -1.472 172.994 174.900 -0.723 0.000 1.424 181 G CA 0.103 44.578 45.100 -1.041 0.000 0.786 181 G HN 1.121 nan 8.290 nan 0.000 0.485 182 A N -0.117 122.212 122.820 -0.818 0.000 2.429 182 A HA 0.626 4.946 4.320 0.001 0.000 0.289 182 A C -1.294 176.091 177.584 -0.333 0.000 1.043 182 A CA -0.547 51.190 52.037 -0.501 0.000 0.722 182 A CB 1.618 20.336 19.000 -0.470 0.000 1.243 182 A HN 1.735 nan 8.150 nan 0.000 0.415 183 L N 3.299 124.281 121.223 -0.402 0.000 2.282 183 L HA 0.666 5.007 4.340 0.001 0.000 0.287 183 L C 0.434 177.100 176.870 -0.340 0.000 1.075 183 L CA 0.051 54.703 54.840 -0.313 0.000 0.839 183 L CB 0.645 42.487 42.059 -0.362 0.000 1.219 183 L HN 0.802 nan 8.230 nan 0.000 0.434 184 A N 5.377 127.986 122.820 -0.352 0.000 2.650 184 A HA 0.743 5.063 4.320 0.001 0.000 0.320 184 A C 0.321 177.813 177.584 -0.153 0.000 1.466 184 A CA -0.060 51.783 52.037 -0.324 0.000 1.099 184 A CB -0.287 18.440 19.000 -0.455 0.000 1.136 184 A HN 0.935 nan 8.150 nan 0.000 0.532 185 A N 2.162 124.892 122.820 -0.150 0.000 2.276 185 A HA 0.576 4.897 4.320 0.001 0.000 0.300 185 A C 0.919 178.473 177.584 -0.051 0.000 1.235 185 A CA 0.010 52.009 52.037 -0.064 0.000 0.867 185 A CB -0.335 18.638 19.000 -0.046 0.000 1.137 185 A HN 1.727 nan 8.150 nan 0.000 0.527 186 S N 0.082 115.787 115.700 0.009 0.000 3.550 186 S HA -0.174 4.297 4.470 0.001 0.000 0.372 186 S C 0.409 174.996 174.600 -0.021 0.000 0.966 186 S CA 0.724 58.911 58.200 -0.022 0.000 1.229 186 S CB -1.583 61.477 63.200 -0.232 0.000 0.917 186 S HN 1.952 nan 8.310 nan 0.000 0.496 187 A N 1.968 124.811 122.820 0.038 0.000 2.341 187 A HA 0.581 4.901 4.320 0.001 0.000 0.326 187 A C -1.561 176.061 177.584 0.065 0.000 1.402 187 A CA -1.659 50.387 52.037 0.015 0.000 0.957 187 A CB 0.334 19.340 19.000 0.011 0.000 1.151 187 A HN 0.236 nan 8.150 nan 0.000 0.533 188 P HA 0.076 nan 4.420 nan 0.000 0.226 188 P C 1.203 178.592 177.300 0.149 0.000 1.783 188 P CA -0.033 63.173 63.100 0.177 0.000 0.980 188 P CB -0.121 31.783 31.700 0.341 0.000 1.967 189 V N -0.225 119.734 119.914 0.074 0.000 2.392 189 V HA -0.267 3.853 4.120 0.001 0.000 0.249 189 V C 1.979 178.134 176.094 0.102 0.000 1.059 189 V CA 1.433 63.784 62.300 0.085 0.000 1.051 189 V CB -1.492 30.344 31.823 0.022 0.000 0.658 189 V HN 0.116 nan 8.190 nan 0.000 0.455 190 L N 0.561 121.830 121.223 0.077 0.000 2.034 190 L HA 0.102 4.442 4.340 0.001 0.000 0.203 190 L C 3.121 180.070 176.870 0.132 0.000 1.074 190 L CA 1.471 56.364 54.840 0.088 0.000 0.748 190 L CB -1.162 40.937 42.059 0.068 0.000 0.905 190 L HN 0.372 nan 8.230 nan 0.000 0.439 191 A N 0.685 123.627 122.820 0.204 0.000 1.892 191 A HA -0.217 4.104 4.320 0.001 0.000 0.218 191 A C 2.321 180.012 177.584 0.180 0.000 1.188 191 A CA 2.441 54.637 52.037 0.266 0.000 0.631 191 A CB -1.179 18.147 19.000 0.545 0.000 0.822 191 A HN 0.356 nan 8.150 nan 0.000 0.447 192 V N -2.763 117.274 119.914 0.204 0.000 2.594 192 V HA -0.004 4.117 4.120 0.001 0.000 0.253 192 V C 2.306 178.468 176.094 0.114 0.000 1.069 192 V CA 1.878 64.277 62.300 0.164 0.000 1.082 192 V CB -1.337 30.605 31.823 0.197 0.000 0.680 192 V HN 0.573 nan 8.190 nan 0.000 0.469 193 A N 0.090 122.974 122.820 0.107 0.000 2.208 193 A HA 0.465 4.786 4.320 0.001 0.000 0.209 193 A C 2.050 179.661 177.584 0.044 0.000 1.161 193 A CA 0.950 53.032 52.037 0.075 0.000 0.782 193 A CB -0.754 18.293 19.000 0.079 0.000 0.816 193 A HN 1.790 nan 8.150 nan 0.000 0.477 194 G N -1.133 107.686 108.800 0.030 0.000 2.137 194 G HA2 -0.193 3.767 3.960 0.001 0.000 0.237 194 G HA3 -0.193 3.767 3.960 0.001 0.000 0.237 194 G C -0.068 174.837 174.900 0.008 0.000 1.002 194 G CA 0.259 45.355 45.100 -0.006 0.000 0.702 194 G HN 0.454 nan 8.290 nan 0.000 0.515 195 L N 0.133 121.378 121.223 0.036 0.000 2.334 195 L HA 0.705 5.045 4.340 0.001 0.000 0.277 195 L C 1.257 178.164 176.870 0.062 0.000 1.075 195 L CA 0.198 55.066 54.840 0.047 0.000 0.804 195 L CB 1.327 43.419 42.059 0.054 0.000 1.174 195 L HN 1.173 nan 8.230 nan 0.000 0.438 196 G N 1.868 110.703 108.800 0.058 0.000 2.728 196 G HA2 -0.213 3.748 3.960 0.001 0.000 0.294 196 G HA3 -0.213 3.748 3.960 0.001 0.000 0.294 196 G C -0.838 174.109 174.900 0.080 0.000 1.342 196 G CA -0.729 44.417 45.100 0.076 0.000 0.866 196 G HN 0.674 nan 8.290 nan 0.000 0.534 197 D N 0.270 120.733 120.400 0.105 0.000 2.401 197 D HA 0.370 5.010 4.640 0.001 0.000 0.254 197 D C 2.041 178.446 176.300 0.176 0.000 1.192 197 D CA 0.750 54.820 54.000 0.116 0.000 0.885 197 D CB 1.002 41.866 40.800 0.107 0.000 1.147 197 D HN 0.844 nan 8.370 nan 0.000 0.478 198 S N 3.262 119.040 115.700 0.130 0.000 2.469 198 S HA -0.136 4.334 4.470 0.001 0.000 0.238 198 S C 1.133 175.942 174.600 0.349 0.000 0.998 198 S CA 0.503 58.788 58.200 0.141 0.000 0.957 198 S CB 0.045 63.291 63.200 0.077 0.000 0.764 198 S HN 0.425 nan 8.310 nan 0.000 0.514 199 N N 1.016 119.882 118.700 0.276 0.000 2.353 199 N HA 0.050 4.791 4.740 0.001 0.000 0.185 199 N C 1.705 177.341 175.510 0.210 0.000 1.098 199 N CA 0.330 53.531 53.050 0.251 0.000 0.872 199 N CB -0.350 38.225 38.487 0.147 0.000 0.970 199 N HN 0.550 nan 8.380 nan 0.000 0.467 200 Q N 0.551 120.485 119.800 0.223 0.000 2.030 200 Q HA -0.181 4.159 4.340 0.001 0.000 0.204 200 Q C 1.705 177.629 176.000 -0.127 0.000 0.986 200 Q CA 1.265 57.121 55.803 0.088 0.000 0.843 200 Q CB -0.500 28.331 28.738 0.155 0.000 0.904 200 Q HN 0.338 nan 8.270 nan 0.000 0.420 201 F N 0.399 119.995 119.950 -0.590 0.000 2.095 201 F HA -0.235 4.293 4.527 0.001 0.000 0.298 201 F C 1.835 177.181 175.800 -0.755 0.000 1.104 201 F CA 1.733 59.076 58.000 -1.094 0.000 1.232 201 F CB -0.459 37.160 39.000 -2.303 0.000 0.987 201 F HN 0.073 nan 8.300 nan 0.000 0.475 202 F N 0.200 120.022 119.950 -0.213 0.000 2.325 202 F HA 0.015 4.542 4.527 0.001 0.000 0.299 202 F C 2.575 178.332 175.800 -0.073 0.000 1.090 202 F CA 1.187 59.136 58.000 -0.085 0.000 1.392 202 F CB -0.816 38.251 39.000 0.111 0.000 1.053 202 F HN -0.103 nan 8.300 nan 0.000 0.521 203 R N 0.604 121.114 120.500 0.018 0.000 2.075 203 R HA -0.150 4.191 4.340 0.001 0.000 0.232 203 R C 1.529 177.766 176.300 -0.105 0.000 1.126 203 R CA 1.948 58.027 56.100 -0.035 0.000 0.963 203 R CB -0.342 29.945 30.300 -0.022 0.000 0.858 203 R HN 0.119 nan 8.270 nan 0.000 0.435 204 D N -0.036 120.240 120.400 -0.206 0.000 2.144 204 D HA -0.106 4.535 4.640 0.001 0.000 0.200 204 D C 1.954 178.103 176.300 -0.252 0.000 0.978 204 D CA 0.974 54.821 54.000 -0.254 0.000 0.833 204 D CB -0.091 40.499 40.800 -0.349 0.000 0.961 204 D HN 0.066 nan 8.370 nan 0.000 0.470 205 V N 0.912 120.639 119.914 -0.312 0.000 2.295 205 V HA -0.242 3.878 4.120 0.001 0.000 0.246 205 V C 2.440 178.629 176.094 0.158 0.000 1.049 205 V CA 1.983 64.238 62.300 -0.075 0.000 1.024 205 V CB -0.871 30.966 31.823 0.024 0.000 0.648 205 V HN 0.235 nan 8.190 nan 0.000 0.447 206 T N 0.546 115.117 114.554 0.029 0.000 2.720 206 T HA -0.207 4.144 4.350 0.001 0.000 0.268 206 T C 2.075 176.774 174.700 -0.002 0.000 1.037 206 T CA 1.694 63.736 62.100 -0.097 0.000 1.144 206 T CB -0.512 68.207 68.868 -0.250 0.000 0.864 206 T HN 0.579 nan 8.240 nan 0.000 0.444 207 A N 2.143 124.940 122.820 -0.038 0.000 1.908 207 A HA -0.197 4.124 4.320 0.001 0.000 0.218 207 A C 2.121 179.681 177.584 -0.040 0.000 1.181 207 A CA 1.826 53.836 52.037 -0.046 0.000 0.627 207 A CB -0.698 18.259 19.000 -0.071 0.000 0.818 207 A HN 0.386 nan 8.150 nan 0.000 0.445 208 D N -0.959 119.411 120.400 -0.050 0.000 2.149 208 D HA -0.134 4.506 4.640 0.001 0.000 0.198 208 D C 1.518 177.690 176.300 -0.213 0.000 0.990 208 D CA 1.251 55.164 54.000 -0.145 0.000 0.839 208 D CB -0.340 40.339 40.800 -0.201 0.000 0.948 208 D HN 0.559 nan 8.370 nan 0.000 0.460 209 F N 0.528 120.459 119.950 -0.032 0.000 2.416 209 F HA 0.004 4.532 4.527 0.001 0.000 0.296 209 F C 2.390 178.171 175.800 -0.031 0.000 1.099 209 F CA 0.273 58.270 58.000 -0.005 0.000 1.427 209 F CB 0.055 39.082 39.000 0.046 0.000 1.079 209 F HN -0.185 nan 8.300 nan 0.000 0.536 210 E N 0.652 120.908 120.200 0.093 0.000 2.051 210 E HA -0.109 4.242 4.350 0.001 0.000 0.192 210 E C 2.498 179.098 176.600 -0.001 0.000 0.991 210 E CA 1.587 58.002 56.400 0.025 0.000 0.799 210 E CB -0.874 28.819 29.700 -0.011 0.000 0.748 210 E HN 0.243 nan 8.360 nan 0.000 0.449 211 G N 0.011 108.795 108.800 -0.027 0.000 2.440 211 G HA2 -0.345 3.616 3.960 0.001 0.000 0.218 211 G HA3 -0.345 3.616 3.960 0.001 0.000 0.218 211 G C 1.615 176.488 174.900 -0.045 0.000 1.154 211 G CA 1.059 46.133 45.100 -0.044 0.000 0.767 211 G HN 0.339 nan 8.290 nan 0.000 0.552 212 Q N 0.476 120.241 119.800 -0.058 0.000 1.941 212 Q HA 0.053 4.394 4.340 0.001 0.000 0.201 212 Q C 1.002 176.996 176.000 -0.010 0.000 0.982 212 Q CA 1.636 57.408 55.803 -0.052 0.000 0.839 212 Q CB -0.268 28.419 28.738 -0.085 0.000 0.904 212 Q HN 0.351 nan 8.270 nan 0.000 0.427 213 S N -1.350 114.362 115.700 0.021 0.000 2.572 213 S HA 0.481 4.952 4.470 0.001 0.000 0.274 213 S C -2.553 172.067 174.600 0.034 0.000 1.150 213 S CA -1.428 56.789 58.200 0.028 0.000 0.944 213 S CB 1.547 64.772 63.200 0.040 0.000 1.071 213 S HN 0.134 nan 8.310 nan 0.000 0.479 214 P HA 0.122 nan 4.420 nan 0.000 0.231 214 P C 0.641 177.945 177.300 0.008 0.000 1.168 214 P CA 0.580 63.684 63.100 0.007 0.000 0.779 214 P CB 0.103 31.801 31.700 -0.004 0.000 0.844 215 K N -0.913 119.496 120.400 0.016 0.000 2.155 215 K HA -0.075 4.246 4.320 0.001 0.000 0.203 215 K C 2.174 178.790 176.600 0.026 0.000 1.052 215 K CA 1.038 57.334 56.287 0.016 0.000 0.948 215 K CB -1.017 31.494 32.500 0.019 0.000 0.728 215 K HN 0.155 nan 8.250 nan 0.000 0.448 216 c N 1.337 119.967 118.600 0.050 0.000 2.429 216 c HA -0.120 4.450 4.570 0.001 0.000 0.277 216 c C 2.604 176.723 174.090 0.048 0.000 1.262 216 c CA 1.373 57.751 56.329 0.082 0.000 1.733 216 c CB -0.903 41.703 42.510 0.161 0.000 2.010 216 c HN 0.479 nan 8.230 nan 0.000 0.483 217 T N 0.003 114.570 114.554 0.021 0.000 2.708 217 T HA -0.146 4.205 4.350 0.001 0.000 0.266 217 T C 2.340 176.996 174.700 -0.073 0.000 1.037 217 T CA 2.399 64.469 62.100 -0.051 0.000 1.146 217 T CB -0.759 68.079 68.868 -0.049 0.000 0.865 217 T HN 0.809 nan 8.240 nan 0.000 0.435 218 Q N 0.874 120.651 119.800 -0.039 0.000 2.119 218 Q HA 0.112 4.453 4.340 0.001 0.000 0.201 218 Q C 2.661 178.645 176.000 -0.027 0.000 0.972 218 Q CA 1.790 57.571 55.803 -0.036 0.000 0.847 218 Q CB -1.554 27.172 28.738 -0.020 0.000 0.903 218 Q HN 0.662 nan 8.270 nan 0.000 0.433 219 G N -0.161 108.631 108.800 -0.013 0.000 2.408 219 G HA2 -0.068 3.893 3.960 0.001 0.000 0.217 219 G HA3 -0.068 3.893 3.960 0.001 0.000 0.217 219 G C 1.745 176.631 174.900 -0.023 0.000 1.150 219 G CA 1.197 46.295 45.100 -0.004 0.000 0.776 219 G HN 0.464 nan 8.290 nan 0.000 0.542 220 V N 0.411 120.298 119.914 -0.044 0.000 2.323 220 V HA -0.092 4.029 4.120 0.001 0.000 0.244 220 V C 2.889 178.952 176.094 -0.052 0.000 1.041 220 V CA 1.673 63.921 62.300 -0.087 0.000 1.025 220 V CB -0.426 31.298 31.823 -0.165 0.000 0.656 220 V HN 0.278 nan 8.190 nan 0.000 0.451 221 R N 0.140 120.606 120.500 -0.056 0.000 2.081 221 R HA -0.163 4.178 4.340 0.001 0.000 0.235 221 R C 2.497 178.796 176.300 -0.002 0.000 1.131 221 R CA 1.854 57.932 56.100 -0.036 0.000 0.960 221 R CB -0.462 29.788 30.300 -0.083 0.000 0.856 221 R HN 0.707 nan 8.270 nan 0.000 0.436 222 E N 0.709 120.901 120.200 -0.012 0.000 2.152 222 E HA -0.019 4.331 4.350 0.001 0.000 0.192 222 E C 1.862 178.468 176.600 0.009 0.000 0.983 222 E CA 1.052 57.454 56.400 0.003 0.000 0.818 222 E CB -0.420 29.282 29.700 0.003 0.000 0.758 222 E HN 0.505 nan 8.360 nan 0.000 0.467 223 A N -0.113 122.689 122.820 -0.030 0.000 1.873 223 A HA 0.114 4.435 4.320 0.001 0.000 0.215 223 A C 2.136 179.682 177.584 -0.063 0.000 1.186 223 A CA 1.504 53.501 52.037 -0.066 0.000 0.616 223 A CB -0.572 18.337 19.000 -0.152 0.000 0.823 223 A HN 0.447 nan 8.150 nan 0.000 0.442 224 F N -0.030 119.880 119.950 -0.066 0.000 2.216 224 F HA -0.102 4.426 4.527 0.001 0.000 0.300 224 F C 2.891 178.645 175.800 -0.078 0.000 1.085 224 F CA 1.271 59.171 58.000 -0.167 0.000 1.326 224 F CB -0.606 38.157 39.000 -0.395 0.000 1.027 224 F HN 0.206 nan 8.300 nan 0.000 0.497 225 R N 0.027 120.596 120.500 0.116 0.000 2.066 225 R HA -0.107 4.234 4.340 0.001 0.000 0.232 225 R C 2.154 178.523 176.300 0.115 0.000 1.131 225 R CA 1.757 57.909 56.100 0.087 0.000 0.955 225 R CB -0.863 29.464 30.300 0.044 0.000 0.851 225 R HN 0.484 nan 8.270 nan 0.000 0.432 226 Q N -0.406 119.455 119.800 0.102 0.000 2.124 226 Q HA -0.049 4.291 4.340 0.001 0.000 0.202 226 Q C 2.288 178.377 176.000 0.149 0.000 0.977 226 Q CA 2.194 58.060 55.803 0.105 0.000 0.850 226 Q CB -0.269 28.519 28.738 0.083 0.000 0.901 226 Q HN 0.488 nan 8.270 nan 0.000 0.429 227 I N 0.607 121.294 120.570 0.194 0.000 2.202 227 I HA -0.281 3.889 4.170 0.001 0.000 0.242 227 I C 2.501 178.786 176.117 0.280 0.000 1.091 227 I CA 1.105 62.549 61.300 0.240 0.000 1.368 227 I CB -0.310 37.842 38.000 0.253 0.000 1.058 227 I HN 0.131 nan 8.210 nan 0.000 0.410 228 K N 1.152 121.768 120.400 0.360 0.000 2.032 228 K HA -0.255 4.066 4.320 0.001 0.000 0.209 228 K C 1.652 178.387 176.600 0.225 0.000 1.048 228 K CA 2.302 58.772 56.287 0.305 0.000 0.927 228 K CB -0.133 32.557 32.500 0.316 0.000 0.712 228 K HN 0.194 nan 8.250 nan 0.000 0.441 229 D N 0.911 121.414 120.400 0.172 0.000 2.117 229 D HA -0.154 4.487 4.640 0.001 0.000 0.197 229 D C 1.985 178.349 176.300 0.107 0.000 0.987 229 D CA 1.012 55.083 54.000 0.119 0.000 0.829 229 D CB -0.161 40.690 40.800 0.085 0.000 0.961 229 D HN 0.241 nan 8.370 nan 0.000 0.460 230 L N -0.702 120.599 121.223 0.130 0.000 2.083 230 L HA -0.125 4.216 4.340 0.001 0.000 0.209 230 L C 2.225 179.118 176.870 0.038 0.000 1.083 230 L CA 0.658 55.546 54.840 0.080 0.000 0.752 230 L CB -0.247 41.881 42.059 0.115 0.000 0.899 230 L HN -0.013 nan 8.230 nan 0.000 0.433 231 F N -0.069 119.886 119.950 0.008 0.000 2.113 231 F HA -0.223 4.305 4.527 0.001 0.000 0.297 231 F C 2.507 178.305 175.800 -0.003 0.000 1.103 231 F CA 1.604 59.635 58.000 0.050 0.000 1.248 231 F CB -0.292 38.783 39.000 0.125 0.000 0.999 231 F HN -0.006 nan 8.300 nan 0.000 0.475 232 L N -0.866 120.470 121.223 0.188 0.000 2.079 232 L HA -0.240 4.100 4.340 0.001 0.000 0.210 232 L C 1.976 178.844 176.870 -0.004 0.000 1.081 232 L CA 2.410 57.312 54.840 0.104 0.000 0.752 232 L CB -1.544 40.575 42.059 0.098 0.000 0.896 232 L HN 0.322 nan 8.230 nan 0.000 0.433 233 Q N -0.788 118.976 119.800 -0.060 0.000 2.311 233 Q HA 0.241 4.582 4.340 0.001 0.000 0.203 233 Q C 1.792 177.654 176.000 -0.229 0.000 0.954 233 Q CA 0.698 56.436 55.803 -0.108 0.000 0.885 233 Q CB 0.142 28.829 28.738 -0.084 0.000 0.963 233 Q HN 0.953 nan 8.270 nan 0.000 0.471 234 G N 0.103 108.633 108.800 -0.451 0.000 2.159 234 G HA2 -0.274 3.686 3.960 0.001 0.000 0.227 234 G HA3 -0.274 3.686 3.960 0.001 0.000 0.227 234 G C 0.302 174.605 174.900 -0.994 0.000 0.986 234 G CA -0.020 44.549 45.100 -0.885 0.000 0.651 234 G HN 0.429 nan 8.290 nan 0.000 0.523 235 A N 0.478 122.936 122.820 -0.604 0.000 3.077 235 A HA 0.655 4.975 4.320 0.001 0.000 0.255 235 A C 1.169 178.574 177.584 -0.298 0.000 1.728 235 A CA 0.326 52.154 52.037 -0.349 0.000 1.383 235 A CB -0.560 18.343 19.000 -0.162 0.000 1.097 235 A HN 0.534 nan 8.150 nan 0.000 0.634 236 Y N 0.114 120.281 120.300 -0.222 0.000 2.200 236 Y HA -0.176 4.374 4.550 0.001 0.000 0.290 236 Y C 1.794 177.659 175.900 -0.057 0.000 1.137 236 Y CA 1.413 59.340 58.100 -0.288 0.000 1.163 236 Y CB -0.340 37.873 38.460 -0.413 0.000 0.988 236 Y HN 0.458 nan 8.280 nan 0.000 0.518 237 D N -0.592 119.877 120.400 0.114 0.000 2.221 237 D HA -0.135 4.506 4.640 0.001 0.000 0.204 237 D C 1.958 178.356 176.300 0.163 0.000 0.982 237 D CA 1.746 55.820 54.000 0.122 0.000 0.857 237 D CB -0.429 40.400 40.800 0.047 0.000 0.934 237 D HN 0.357 nan 8.370 nan 0.000 0.475 238 T N 0.289 114.914 114.554 0.118 0.000 2.777 238 T HA -0.063 4.288 4.350 0.001 0.000 0.266 238 T C 2.303 177.152 174.700 0.247 0.000 1.040 238 T CA 0.583 62.779 62.100 0.159 0.000 1.141 238 T CB -0.197 68.720 68.868 0.082 0.000 0.868 238 T HN -0.009 nan 8.240 nan 0.000 0.444 239 V N 1.568 121.625 119.914 0.239 0.000 2.307 239 V HA -0.131 3.990 4.120 0.001 0.000 0.245 239 V C 2.663 178.957 176.094 0.333 0.000 1.045 239 V CA 1.579 64.056 62.300 0.294 0.000 1.024 239 V CB -0.603 31.432 31.823 0.353 0.000 0.651 239 V HN 0.345 nan 8.190 nan 0.000 0.449 240 R N -1.029 119.655 120.500 0.306 0.000 2.091 240 R HA -0.222 4.119 4.340 0.001 0.000 0.238 240 R C 2.295 178.758 176.300 0.271 0.000 1.136 240 R CA 2.165 58.432 56.100 0.278 0.000 0.959 240 R CB -0.303 30.140 30.300 0.239 0.000 0.856 240 R HN 0.731 nan 8.270 nan 0.000 0.437 241 W N 1.499 122.862 121.300 0.105 0.000 2.444 241 W HA -0.126 4.535 4.660 0.001 0.000 0.308 241 W C 1.549 178.112 176.519 0.074 0.000 1.183 241 W CA 1.005 58.391 57.345 0.068 0.000 1.340 241 W CB -0.028 29.463 29.460 0.052 0.000 1.138 241 W HN 0.071 nan 8.180 nan 0.000 0.510 242 E N 0.204 120.575 120.200 0.285 0.000 2.047 242 E HA -0.207 4.143 4.350 0.001 0.000 0.191 242 E C 1.882 178.571 176.600 0.149 0.000 0.987 242 E CA 1.256 57.768 56.400 0.187 0.000 0.799 242 E CB -1.305 28.541 29.700 0.243 0.000 0.752 242 E HN 0.262 nan 8.360 nan 0.000 0.449 243 F N 0.831 120.836 119.950 0.093 0.000 2.407 243 F HA 0.137 4.665 4.527 0.001 0.000 0.299 243 F C 1.022 176.867 175.800 0.075 0.000 1.097 243 F CA 1.278 59.349 58.000 0.117 0.000 1.422 243 F CB 0.172 39.272 39.000 0.166 0.000 1.067 243 F HN 0.149 nan 8.300 nan 0.000 0.539 244 G N 2.011 110.769 108.800 -0.070 0.000 2.417 244 G HA2 -0.207 3.753 3.960 0.001 0.000 0.291 244 G HA3 -0.207 3.753 3.960 0.001 0.000 0.291 244 G C 0.055 174.848 174.900 -0.179 0.000 1.094 244 G CA 0.325 45.279 45.100 -0.244 0.000 1.146 244 G HN 0.723 nan 8.290 nan 0.000 0.519 245 T N -2.255 112.311 114.554 0.021 0.000 2.829 245 T HA 0.519 4.870 4.350 0.001 0.000 0.282 245 T C 1.770 176.490 174.700 0.033 0.000 0.990 245 T CA 0.107 62.242 62.100 0.060 0.000 1.028 245 T CB 1.614 70.567 68.868 0.142 0.000 0.951 245 T HN 0.578 nan 8.240 nan 0.000 0.460 246 c N 2.538 121.153 118.600 0.024 0.000 2.432 246 c HA -0.018 4.553 4.570 0.001 0.000 0.277 246 c C 1.635 175.760 174.090 0.058 0.000 1.249 246 c CA 0.283 56.632 56.329 0.034 0.000 1.725 246 c CB -1.040 41.494 42.510 0.040 0.000 2.028 246 c HN 0.914 nan 8.230 nan 0.000 0.477 247 Q N 2.584 122.429 119.800 0.074 0.000 2.260 247 Q HA 0.398 4.738 4.340 0.001 0.000 0.242 247 Q C -2.827 173.228 176.000 0.092 0.000 0.932 247 Q CA -1.780 54.071 55.803 0.081 0.000 0.891 247 Q CB 0.066 28.863 28.738 0.100 0.000 1.222 247 Q HN 0.258 nan 8.270 nan 0.000 0.453 248 P HA 0.226 nan 4.420 nan 0.000 0.275 248 P C -0.724 176.610 177.300 0.056 0.000 1.228 248 P CA -0.172 62.969 63.100 0.068 0.000 0.786 248 P CB 0.732 32.456 31.700 0.040 0.000 0.927 249 L N 2.031 123.283 121.223 0.047 0.000 2.307 249 L HA 0.390 4.730 4.340 0.001 0.000 0.284 249 L C 1.327 177.983 176.870 -0.357 0.000 1.023 249 L CA -0.178 54.677 54.840 0.025 0.000 0.810 249 L CB 1.588 43.802 42.059 0.259 0.000 1.231 249 L HN 0.478 nan 8.230 nan 0.000 0.423 250 S N -0.645 114.824 115.700 -0.385 0.000 2.882 250 S HA 0.170 4.641 4.470 0.001 0.000 0.258 250 S C -0.015 174.256 174.600 -0.549 0.000 1.081 250 S CA -0.189 57.589 58.200 -0.704 0.000 0.886 250 S CB 0.214 63.227 63.200 -0.312 0.000 0.855 250 S HN 0.710 nan 8.310 nan 0.000 0.467 251 D N 0.387 120.721 120.400 -0.109 0.000 2.553 251 D HA 0.669 5.310 4.640 0.001 0.000 0.249 251 D C 1.064 177.480 176.300 0.194 0.000 1.062 251 D CA -0.099 53.931 54.000 0.051 0.000 1.085 251 D CB 0.353 41.166 40.800 0.022 0.000 1.350 251 D HN 0.078 nan 8.370 nan 0.000 0.575 252 E N -0.773 119.500 120.200 0.120 0.000 2.204 252 E HA -0.084 4.267 4.350 0.001 0.000 0.195 252 E C 2.067 178.649 176.600 -0.031 0.000 0.990 252 E CA 2.286 58.706 56.400 0.033 0.000 0.821 252 E CB -1.352 28.374 29.700 0.043 0.000 0.750 252 E HN 0.642 nan 8.360 nan 0.000 0.477 253 K N 1.144 121.560 120.400 0.026 0.000 2.148 253 K HA -0.145 4.176 4.320 0.001 0.000 0.204 253 K C 2.002 178.631 176.600 0.049 0.000 1.050 253 K CA 1.588 57.907 56.287 0.053 0.000 0.942 253 K CB -0.601 31.960 32.500 0.101 0.000 0.724 253 K HN 0.487 nan 8.250 nan 0.000 0.446 254 D N 0.040 120.468 120.400 0.047 0.000 2.123 254 D HA -0.066 4.574 4.640 0.001 0.000 0.200 254 D C 1.924 178.066 176.300 -0.262 0.000 0.976 254 D CA 1.181 55.195 54.000 0.023 0.000 0.831 254 D CB -0.175 40.724 40.800 0.166 0.000 0.974 254 D HN 0.294 nan 8.370 nan 0.000 0.469 255 L N 0.833 121.724 121.223 -0.553 0.000 2.027 255 L HA -0.128 4.213 4.340 0.001 0.000 0.206 255 L C 2.168 178.564 176.870 -0.789 0.000 1.074 255 L CA 1.589 55.800 54.840 -1.048 0.000 0.745 255 L CB -0.772 40.408 42.059 -1.464 0.000 0.898 255 L HN -0.062 nan 8.230 nan 0.000 0.433 256 T N -0.906 113.410 114.554 -0.397 0.000 2.635 256 T HA -0.300 4.051 4.350 0.001 0.000 0.267 256 T C 1.773 176.399 174.700 -0.125 0.000 1.040 256 T CA 1.779 63.784 62.100 -0.158 0.000 1.156 256 T CB -0.329 68.505 68.868 -0.057 0.000 0.863 256 T HN 0.363 nan 8.240 nan 0.000 0.430 257 Q N 0.777 120.470 119.800 -0.178 0.000 2.096 257 Q HA -0.035 4.306 4.340 0.001 0.000 0.204 257 Q C 2.092 177.982 176.000 -0.183 0.000 0.982 257 Q CA 1.438 57.107 55.803 -0.224 0.000 0.850 257 Q CB -0.737 27.662 28.738 -0.566 0.000 0.901 257 Q HN 0.577 nan 8.270 nan 0.000 0.422 258 L N -0.909 120.171 121.223 -0.237 0.000 2.056 258 L HA -0.118 4.223 4.340 0.001 0.000 0.207 258 L C 1.743 178.682 176.870 0.114 0.000 1.078 258 L CA 0.947 55.707 54.840 -0.135 0.000 0.749 258 L CB -0.234 41.628 42.059 -0.328 0.000 0.901 258 L HN 0.229 nan 8.230 nan 0.000 0.433 259 F N -0.713 119.189 119.950 -0.081 0.000 2.146 259 F HA -0.194 4.334 4.527 0.001 0.000 0.298 259 F C 2.470 178.191 175.800 -0.132 0.000 1.096 259 F CA 0.990 58.967 58.000 -0.039 0.000 1.275 259 F CB -0.837 38.072 39.000 -0.152 0.000 1.008 259 F HN 0.092 nan 8.300 nan 0.000 0.480 260 M N -1.360 118.234 119.600 -0.010 0.000 2.229 260 M HA -0.182 4.298 4.480 0.001 0.000 0.264 260 M C 2.328 178.271 176.300 -0.595 0.000 1.063 260 M CA 1.217 56.359 55.300 -0.263 0.000 1.114 260 M CB -1.423 31.108 32.600 -0.115 0.000 1.387 260 M HN 0.214 nan 8.290 nan 0.000 0.420 261 F N 1.047 120.710 119.950 -0.479 0.000 2.163 261 F HA -0.002 4.526 4.527 0.001 0.000 0.297 261 F C 2.254 177.990 175.800 -0.107 0.000 1.094 261 F CA 1.455 59.217 58.000 -0.398 0.000 1.290 261 F CB -0.273 38.574 39.000 -0.256 0.000 1.017 261 F HN 0.060 nan 8.300 nan 0.000 0.483 262 A N 1.153 124.010 122.820 0.061 0.000 1.855 262 A HA -0.181 4.139 4.320 0.001 0.000 0.215 262 A C 2.393 180.156 177.584 0.298 0.000 1.191 262 A CA 1.670 53.822 52.037 0.191 0.000 0.613 262 A CB -1.058 18.188 19.000 0.409 0.000 0.829 262 A HN 0.471 nan 8.150 nan 0.000 0.442 263 R N -0.290 120.316 120.500 0.177 0.000 2.133 263 R HA -0.250 4.090 4.340 0.001 0.000 0.247 263 R C 2.046 178.322 176.300 -0.039 0.000 1.151 263 R CA 2.032 58.030 56.100 -0.170 0.000 0.971 263 R CB -0.399 29.475 30.300 -0.710 0.000 0.866 263 R HN 0.614 nan 8.270 nan 0.000 0.447 264 N N -0.047 118.597 118.700 -0.094 0.000 2.223 264 N HA -0.118 4.623 4.740 0.001 0.000 0.185 264 N C 1.492 176.993 175.510 -0.014 0.000 1.016 264 N CA 1.518 54.555 53.050 -0.022 0.000 0.863 264 N CB -0.139 38.300 38.487 -0.080 0.000 0.983 264 N HN 0.349 nan 8.380 nan 0.000 0.429 265 A N -0.554 122.214 122.820 -0.087 0.000 1.940 265 A HA -0.084 4.237 4.320 0.001 0.000 0.219 265 A C 1.879 179.336 177.584 -0.212 0.000 1.176 265 A CA 1.140 53.024 52.037 -0.255 0.000 0.631 265 A CB -0.976 17.812 19.000 -0.353 0.000 0.814 265 A HN 0.378 nan 8.150 nan 0.000 0.446 266 F N 0.283 120.243 119.950 0.016 0.000 2.146 266 F HA -0.103 4.425 4.527 0.001 0.000 0.298 266 F C 2.768 178.685 175.800 0.196 0.000 1.096 266 F CA 1.692 59.775 58.000 0.138 0.000 1.275 266 F CB -1.073 38.005 39.000 0.130 0.000 1.008 266 F HN 0.098 nan 8.300 nan 0.000 0.480 267 T N 0.021 114.738 114.554 0.273 0.000 2.665 267 T HA -0.177 4.174 4.350 0.001 0.000 0.268 267 T C 2.221 176.982 174.700 0.102 0.000 1.035 267 T CA 1.635 63.848 62.100 0.190 0.000 1.151 267 T CB -0.646 68.364 68.868 0.238 0.000 0.862 267 T HN 0.018 nan 8.240 nan 0.000 0.438 268 V N 1.484 121.422 119.914 0.040 0.000 2.261 268 V HA -0.123 3.998 4.120 0.001 0.000 0.246 268 V C 2.494 178.556 176.094 -0.054 0.000 1.047 268 V CA 1.591 63.868 62.300 -0.038 0.000 1.015 268 V CB -0.721 31.031 31.823 -0.118 0.000 0.642 268 V HN 0.435 nan 8.190 nan 0.000 0.446 269 L N 0.184 121.393 121.223 -0.023 0.000 2.083 269 L HA -0.119 4.222 4.340 0.001 0.000 0.209 269 L C 2.698 179.504 176.870 -0.108 0.000 1.083 269 L CA 1.509 56.323 54.840 -0.043 0.000 0.752 269 L CB -0.880 41.207 42.059 0.046 0.000 0.899 269 L HN 0.339 nan 8.230 nan 0.000 0.433 270 A N -0.041 122.756 122.820 -0.039 0.000 1.898 270 A HA -0.173 4.148 4.320 0.001 0.000 0.216 270 A C 2.312 179.794 177.584 -0.169 0.000 1.181 270 A CA 1.643 53.599 52.037 -0.135 0.000 0.620 270 A CB -0.420 18.546 19.000 -0.057 0.000 0.819 270 A HN 0.341 nan 8.150 nan 0.000 0.442 271 M N -1.228 118.300 119.600 -0.119 0.000 2.200 271 M HA 0.040 4.521 4.480 0.001 0.000 0.265 271 M C 0.845 176.981 176.300 -0.272 0.000 1.066 271 M CA 0.909 56.151 55.300 -0.095 0.000 1.127 271 M CB -0.124 32.440 32.600 -0.059 0.000 1.379 271 M HN 0.199 nan 8.290 nan 0.000 0.420 272 M N 0.059 119.448 119.600 -0.353 0.000 2.853 272 M HA 0.136 4.616 4.480 0.001 0.000 0.274 272 M C -0.419 175.413 176.300 -0.780 0.000 1.289 272 M CA 0.213 55.145 55.300 -0.612 0.000 1.031 272 M CB -1.186 31.317 32.600 -0.161 0.000 1.352 272 M HN -0.085 nan 8.290 nan 0.000 0.485 273 D N 1.241 121.192 120.400 -0.749 0.000 2.619 273 D HA 0.136 4.777 4.640 0.001 0.000 0.224 273 D C -0.965 175.045 176.300 -0.484 0.000 1.133 273 D CA 0.114 53.818 54.000 -0.494 0.000 1.017 273 D CB -0.096 40.498 40.800 -0.343 0.000 1.077 273 D HN 0.082 nan 8.370 nan 0.000 0.503 274 Y N 0.735 120.890 120.300 -0.243 0.000 2.376 274 Y HA 0.336 4.887 4.550 0.001 0.000 0.325 274 Y C -1.294 174.341 175.900 -0.441 0.000 1.199 274 Y CA -2.920 54.929 58.100 -0.419 0.000 1.206 274 Y CB 0.753 38.830 38.460 -0.639 0.000 1.229 274 Y HN 0.133 nan 8.280 nan 0.000 0.480 275 P HA 0.038 nan 4.420 nan 0.000 0.256 275 P C -1.508 175.744 177.300 -0.081 0.000 1.335 275 P CA 0.624 63.644 63.100 -0.134 0.000 0.808 275 P CB -0.365 31.328 31.700 -0.011 0.000 1.305 276 Y N -3.887 116.347 120.300 -0.109 0.000 2.624 276 Y HA 0.669 5.219 4.550 0.001 0.000 0.334 276 Y C -3.129 172.732 175.900 -0.065 0.000 1.155 276 Y CA -3.885 54.110 58.100 -0.175 0.000 1.046 276 Y CB -0.250 37.839 38.460 -0.618 0.000 1.316 276 Y HN -0.353 nan 8.280 nan 0.000 0.457 277 P HA 0.183 nan 4.420 nan 0.000 0.268 277 P C -0.319 177.094 177.300 0.187 0.000 1.205 277 P CA 0.331 63.509 63.100 0.129 0.000 0.771 277 P CB 1.292 33.058 31.700 0.110 0.000 0.858 278 T N -1.848 112.790 114.554 0.140 0.000 2.838 278 T HA 0.509 4.860 4.350 0.001 0.000 0.292 278 T C -1.091 173.686 174.700 0.128 0.000 1.113 278 T CA -0.595 61.598 62.100 0.155 0.000 1.008 278 T CB 1.830 70.818 68.868 0.199 0.000 1.259 278 T HN 0.272 nan 8.240 nan 0.000 0.520 279 D N 0.061 120.539 120.400 0.131 0.000 2.714 279 D HA 0.316 4.956 4.640 0.001 0.000 0.264 279 D C -0.650 175.766 176.300 0.193 0.000 1.231 279 D CA -0.588 53.488 54.000 0.126 0.000 0.802 279 D CB 0.285 41.131 40.800 0.077 0.000 1.319 279 D HN 0.306 nan 8.370 nan 0.000 0.528 280 F N 0.976 120.962 119.950 0.060 0.000 2.403 280 F HA 0.325 4.853 4.527 0.001 0.000 0.263 280 F C 1.591 177.409 175.800 0.030 0.000 1.020 280 F CA 0.236 58.273 58.000 0.061 0.000 1.091 280 F CB -0.419 38.663 39.000 0.136 0.000 1.141 280 F HN 0.175 nan 8.300 nan 0.000 0.633 281 L N -0.536 120.750 121.223 0.106 0.000 2.179 281 L HA 0.227 4.568 4.340 0.001 0.000 0.208 281 L C 0.801 177.670 176.870 -0.002 0.000 1.096 281 L CA 0.856 55.666 54.840 -0.049 0.000 0.779 281 L CB -0.353 41.645 42.059 -0.102 0.000 0.922 281 L HN 0.325 nan 8.230 nan 0.000 0.443 282 G N -1.605 107.216 108.800 0.036 0.000 2.547 282 G HA2 0.322 4.283 3.960 0.001 0.000 0.291 282 G HA3 0.322 4.283 3.960 0.001 0.000 0.291 282 G C -3.022 171.904 174.900 0.043 0.000 1.471 282 G CA -0.702 44.411 45.100 0.022 0.000 0.798 282 G HN -0.358 nan 8.290 nan 0.000 0.504 283 P HA 0.325 nan 4.420 nan 0.000 0.265 283 P C -0.551 176.765 177.300 0.027 0.000 1.222 283 P CA 0.194 63.319 63.100 0.041 0.000 0.767 283 P CB 0.905 32.624 31.700 0.033 0.000 0.801 284 L N 5.875 127.121 121.223 0.038 0.000 2.354 284 L HA 0.563 4.904 4.340 0.001 0.000 0.264 284 L C -2.114 174.771 176.870 0.024 0.000 1.008 284 L CA -2.551 52.299 54.840 0.017 0.000 0.819 284 L CB 2.893 44.955 42.059 0.004 0.000 1.339 284 L HN 0.176 nan 8.230 nan 0.000 0.420 285 P HA 0.220 nan 4.420 nan 0.000 0.282 285 P C -0.960 176.339 177.300 -0.000 0.000 1.287 285 P CA -0.528 62.580 63.100 0.014 0.000 0.792 285 P CB 0.659 32.363 31.700 0.006 0.000 1.163 286 A N 0.769 123.594 122.820 0.008 0.000 2.511 286 A HA 0.109 4.430 4.320 0.001 0.000 0.242 286 A C 0.537 178.095 177.584 -0.043 0.000 1.069 286 A CA -0.105 51.923 52.037 -0.015 0.000 0.763 286 A CB -1.247 17.765 19.000 0.020 0.000 1.001 286 A HN 0.708 nan 8.150 nan 0.000 0.498 287 N N 1.536 120.186 118.700 -0.083 0.000 2.667 287 N HA -0.142 4.599 4.740 0.001 0.000 0.263 287 N C -2.011 173.439 175.510 -0.100 0.000 1.038 287 N CA 0.909 53.897 53.050 -0.103 0.000 0.749 287 N CB -0.980 37.461 38.487 -0.076 0.000 0.892 287 N HN 0.605 nan 8.380 nan 0.000 0.546 288 P HA -0.095 nan 4.420 nan 0.000 0.220 288 P C 1.551 178.801 177.300 -0.084 0.000 1.148 288 P CA 0.530 63.578 63.100 -0.085 0.000 0.803 288 P CB 0.311 31.958 31.700 -0.088 0.000 0.782 289 V N 1.328 121.137 119.914 -0.175 0.000 2.332 289 V HA -0.234 3.886 4.120 0.001 0.000 0.248 289 V C 2.883 178.889 176.094 -0.147 0.000 1.055 289 V CA 2.212 64.328 62.300 -0.307 0.000 1.038 289 V CB -1.166 30.267 31.823 -0.649 0.000 0.651 289 V HN 0.186 nan 8.190 nan 0.000 0.450 290 K N -0.003 120.329 120.400 -0.114 0.000 2.057 290 K HA -0.132 4.189 4.320 0.001 0.000 0.206 290 K C 2.009 178.606 176.600 -0.004 0.000 1.050 290 K CA 1.601 57.859 56.287 -0.048 0.000 0.935 290 K CB -0.127 32.341 32.500 -0.054 0.000 0.715 290 K HN 0.329 nan 8.250 nan 0.000 0.439 291 V N 0.998 120.905 119.914 -0.011 0.000 2.343 291 V HA -0.164 3.957 4.120 0.001 0.000 0.247 291 V C 2.470 178.578 176.094 0.024 0.000 1.051 291 V CA 2.065 64.367 62.300 0.003 0.000 1.036 291 V CB -1.079 30.739 31.823 -0.008 0.000 0.654 291 V HN 0.616 nan 8.190 nan 0.000 0.451 292 G N -0.968 107.859 108.800 0.045 0.000 2.446 292 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 292 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 292 G C 1.730 176.691 174.900 0.103 0.000 1.168 292 G CA 1.417 46.560 45.100 0.071 0.000 0.771 292 G HN 0.535 nan 8.290 nan 0.000 0.551 293 c N 0.575 119.269 118.600 0.156 0.000 2.446 293 c HA 0.006 4.577 4.570 0.001 0.000 0.277 293 c C 2.599 176.737 174.090 0.081 0.000 1.275 293 c CA 0.773 57.191 56.329 0.148 0.000 1.727 293 c CB -0.569 42.044 42.510 0.171 0.000 2.010 293 c HN 0.447 nan 8.230 nan 0.000 0.486 294 D N 0.466 120.899 120.400 0.055 0.000 2.117 294 D HA -0.103 4.537 4.640 0.001 0.000 0.197 294 D C 2.358 178.678 176.300 0.033 0.000 0.987 294 D CA 1.072 55.094 54.000 0.036 0.000 0.829 294 D CB -0.456 40.359 40.800 0.024 0.000 0.961 294 D HN 0.516 nan 8.370 nan 0.000 0.460 295 R N 0.089 120.608 120.500 0.032 0.000 2.096 295 R HA -0.050 4.291 4.340 0.001 0.000 0.235 295 R C 2.449 178.768 176.300 0.031 0.000 1.127 295 R CA 0.501 56.617 56.100 0.026 0.000 0.968 295 R CB -0.355 29.956 30.300 0.019 0.000 0.861 295 R HN 0.191 nan 8.270 nan 0.000 0.440 296 L N 0.588 121.836 121.223 0.041 0.000 2.095 296 L HA -0.073 4.268 4.340 0.001 0.000 0.204 296 L C 1.935 178.830 176.870 0.043 0.000 1.080 296 L CA 1.148 56.016 54.840 0.045 0.000 0.759 296 L CB 0.048 42.141 42.059 0.058 0.000 0.914 296 L HN 0.127 nan 8.230 nan 0.000 0.439 297 L N -0.883 120.366 121.223 0.043 0.000 2.313 297 L HA -0.076 4.265 4.340 0.001 0.000 0.214 297 L C 2.662 179.550 176.870 0.030 0.000 1.119 297 L CA 0.965 55.827 54.840 0.036 0.000 0.809 297 L CB -0.435 41.647 42.059 0.038 0.000 0.933 297 L HN 0.392 nan 8.230 nan 0.000 0.449 298 S N -1.701 114.016 115.700 0.028 0.000 2.406 298 S HA -0.034 4.437 4.470 0.001 0.000 0.228 298 S C 0.919 175.533 174.600 0.024 0.000 1.020 298 S CA 0.246 58.460 58.200 0.024 0.000 0.965 298 S CB -0.213 63.000 63.200 0.021 0.000 0.798 298 S HN 0.227 nan 8.310 nan 0.000 0.488 299 E N 1.390 121.606 120.200 0.028 0.000 2.344 299 E HA 0.399 4.750 4.350 0.001 0.000 0.270 299 E C 1.080 177.699 176.600 0.032 0.000 1.021 299 E CA 0.377 56.795 56.400 0.030 0.000 0.887 299 E CB 1.266 30.987 29.700 0.034 0.000 0.997 299 E HN 0.394 nan 8.360 nan 0.000 0.429 300 A N 4.392 127.231 122.820 0.032 0.000 1.969 300 A HA -0.145 4.175 4.320 0.001 0.000 0.218 300 A C 0.880 178.487 177.584 0.038 0.000 1.169 300 A CA 1.054 53.110 52.037 0.032 0.000 0.635 300 A CB 0.106 19.125 19.000 0.032 0.000 0.810 300 A HN 0.577 nan 8.150 nan 0.000 0.445 301 Q N -0.782 119.046 119.800 0.046 0.000 2.256 301 Q HA 0.361 4.702 4.340 0.001 0.000 0.257 301 Q C 0.510 176.545 176.000 0.058 0.000 0.936 301 Q CA -0.923 54.914 55.803 0.057 0.000 0.903 301 Q CB 1.240 30.021 28.738 0.071 0.000 1.263 301 Q HN 0.211 nan 8.270 nan 0.000 0.440 302 R N 1.637 122.171 120.500 0.056 0.000 2.092 302 R HA -0.060 4.281 4.340 0.001 0.000 0.231 302 R C 1.688 178.029 176.300 0.068 0.000 1.119 302 R CA 1.279 57.407 56.100 0.048 0.000 0.970 302 R CB -0.343 29.975 30.300 0.031 0.000 0.864 302 R HN 0.715 nan 8.270 nan 0.000 0.440 303 I N 0.325 120.957 120.570 0.103 0.000 2.315 303 I HA -0.190 3.980 4.170 0.001 0.000 0.248 303 I C 1.902 178.145 176.117 0.211 0.000 1.117 303 I CA 1.257 62.663 61.300 0.176 0.000 1.404 303 I CB -0.416 37.706 38.000 0.204 0.000 1.071 303 I HN 0.083 nan 8.210 nan 0.000 0.419 304 T N 0.463 115.095 114.554 0.131 0.000 2.777 304 T HA -0.077 4.273 4.350 0.001 0.000 0.266 304 T C 2.009 176.754 174.700 0.075 0.000 1.040 304 T CA 1.375 63.526 62.100 0.084 0.000 1.141 304 T CB -0.666 68.235 68.868 0.055 0.000 0.868 304 T HN 0.555 nan 8.240 nan 0.000 0.444 305 G N 1.425 110.270 108.800 0.073 0.000 2.440 305 G HA2 -0.155 3.806 3.960 0.001 0.000 0.218 305 G HA3 -0.155 3.806 3.960 0.001 0.000 0.218 305 G C 1.511 176.455 174.900 0.073 0.000 1.154 305 G CA 0.682 45.819 45.100 0.060 0.000 0.767 305 G HN 0.389 nan 8.290 nan 0.000 0.552 306 L N 0.555 121.844 121.223 0.109 0.000 2.027 306 L HA 0.131 4.472 4.340 0.001 0.000 0.206 306 L C 2.759 179.767 176.870 0.231 0.000 1.074 306 L CA 1.998 56.926 54.840 0.147 0.000 0.745 306 L CB -0.565 41.563 42.059 0.115 0.000 0.898 306 L HN 0.236 nan 8.230 nan 0.000 0.433 307 R N -0.480 120.173 120.500 0.254 0.000 2.091 307 R HA -0.199 4.142 4.340 0.001 0.000 0.238 307 R C 2.054 178.413 176.300 0.098 0.000 1.136 307 R CA 1.544 57.683 56.100 0.065 0.000 0.959 307 R CB -0.370 29.865 30.300 -0.109 0.000 0.856 307 R HN 0.493 nan 8.270 nan 0.000 0.437 308 A N 1.487 124.342 122.820 0.060 0.000 1.873 308 A HA -0.156 4.165 4.320 0.001 0.000 0.215 308 A C 2.208 179.809 177.584 0.028 0.000 1.186 308 A CA 1.326 53.386 52.037 0.038 0.000 0.616 308 A CB -0.665 18.350 19.000 0.025 0.000 0.823 308 A HN 0.478 nan 8.150 nan 0.000 0.442 309 L N -0.652 120.571 121.223 0.001 0.000 2.046 309 L HA -0.127 4.213 4.340 0.001 0.000 0.208 309 L C 2.587 179.381 176.870 -0.127 0.000 1.077 309 L CA 1.753 56.549 54.840 -0.074 0.000 0.747 309 L CB -0.297 41.680 42.059 -0.137 0.000 0.896 309 L HN 0.342 nan 8.230 nan 0.000 0.432 310 A N -0.314 122.453 122.820 -0.089 0.000 2.066 310 A HA -0.015 4.306 4.320 0.001 0.000 0.218 310 A C 2.237 179.838 177.584 0.029 0.000 1.157 310 A CA 1.063 53.043 52.037 -0.095 0.000 0.670 310 A CB -1.193 17.756 19.000 -0.085 0.000 0.804 310 A HN 0.561 nan 8.150 nan 0.000 0.453 311 G N -0.003 108.870 108.800 0.122 0.000 2.448 311 G HA2 -0.128 3.833 3.960 0.001 0.000 0.219 311 G HA3 -0.128 3.833 3.960 0.001 0.000 0.219 311 G C 1.419 176.359 174.900 0.067 0.000 1.127 311 G CA 0.995 46.202 45.100 0.178 0.000 0.766 311 G HN 0.457 nan 8.290 nan 0.000 0.552 312 L N 0.109 121.327 121.223 -0.008 0.000 2.141 312 L HA -0.033 4.307 4.340 0.001 0.000 0.209 312 L C 2.768 179.586 176.870 -0.088 0.000 1.094 312 L CA 0.397 55.213 54.840 -0.040 0.000 0.763 312 L CB -0.154 41.873 42.059 -0.054 0.000 0.908 312 L HN 0.112 nan 8.230 nan 0.000 0.437 313 V N -2.212 117.597 119.914 -0.175 0.000 2.426 313 V HA -0.161 3.960 4.120 0.001 0.000 0.242 313 V C 1.731 177.593 176.094 -0.386 0.000 1.036 313 V CA 1.276 63.356 62.300 -0.366 0.000 1.044 313 V CB -0.436 31.015 31.823 -0.620 0.000 0.688 313 V HN 0.269 nan 8.190 nan 0.000 0.462 314 Y N -0.596 119.667 120.300 -0.061 0.000 2.509 314 Y HA 0.270 4.821 4.550 0.001 0.000 0.270 314 Y C 1.678 177.667 175.900 0.149 0.000 1.103 314 Y CA 0.508 58.631 58.100 0.038 0.000 1.278 314 Y CB 0.149 38.590 38.460 -0.031 0.000 1.087 314 Y HN 0.282 nan 8.280 nan 0.000 0.542 315 N N 0.072 118.932 118.700 0.266 0.000 2.497 315 N HA 0.273 5.013 4.740 0.001 0.000 0.284 315 N C 1.057 176.614 175.510 0.079 0.000 1.459 315 N CA 0.461 53.622 53.050 0.186 0.000 0.899 315 N CB 0.065 38.681 38.487 0.214 0.000 1.316 315 N HN 0.124 nan 8.380 nan 0.000 0.500 316 A N -0.131 122.720 122.820 0.052 0.000 1.915 316 A HA -0.247 4.074 4.320 0.001 0.000 0.220 316 A C 2.117 179.711 177.584 0.017 0.000 1.198 316 A CA 2.509 54.559 52.037 0.022 0.000 0.647 316 A CB -0.839 18.169 19.000 0.012 0.000 0.825 316 A HN 0.528 nan 8.150 nan 0.000 0.456 317 S N -2.221 113.489 115.700 0.016 0.000 2.528 317 S HA 0.364 4.835 4.470 0.001 0.000 0.219 317 S C 1.484 176.076 174.600 -0.013 0.000 0.985 317 S CA 1.118 59.320 58.200 0.003 0.000 0.914 317 S CB -0.350 62.851 63.200 0.002 0.000 0.776 317 S HN 2.077 nan 8.310 nan 0.000 0.526 318 G N 1.450 110.240 108.800 -0.017 0.000 2.153 318 G HA2 -0.332 3.629 3.960 0.001 0.000 0.252 318 G HA3 -0.332 3.629 3.960 0.001 0.000 0.252 318 G C 0.862 175.700 174.900 -0.104 0.000 0.994 318 G CA 0.771 45.843 45.100 -0.047 0.000 0.698 318 G HN 1.228 nan 8.290 nan 0.000 0.521 319 S N -1.074 114.559 115.700 -0.110 0.000 2.486 319 S HA 0.230 4.701 4.470 0.001 0.000 0.220 319 S C 0.617 175.028 174.600 -0.314 0.000 1.011 319 S CA 0.409 58.501 58.200 -0.180 0.000 0.921 319 S CB 0.381 63.528 63.200 -0.089 0.000 0.785 319 S HN 0.441 nan 8.310 nan 0.000 0.517 320 E N 1.697 121.770 120.200 -0.212 0.000 2.223 320 E HA 0.192 4.543 4.350 0.001 0.000 0.282 320 E C -0.083 176.339 176.600 -0.295 0.000 1.046 320 E CA -0.015 56.273 56.400 -0.186 0.000 0.857 320 E CB 0.662 30.354 29.700 -0.013 0.000 1.055 320 E HN 0.582 nan 8.360 nan 0.000 0.409 321 H N 0.447 119.458 119.070 -0.098 0.000 2.436 321 H HA -0.004 4.553 4.556 0.001 0.000 0.294 321 H C 0.863 176.046 175.328 -0.241 0.000 1.048 321 H CA 0.924 56.882 56.048 -0.150 0.000 1.353 321 H CB 0.388 30.086 29.762 -0.107 0.000 1.414 321 H HN 0.605 nan 8.280 nan 0.000 0.536 322 c N -1.882 116.642 118.600 -0.126 0.000 3.236 322 c HA 0.543 5.113 4.570 0.001 0.000 0.312 322 c C -1.341 172.643 174.090 -0.178 0.000 1.374 322 c CA -1.456 54.739 56.329 -0.224 0.000 1.455 322 c CB 0.695 43.145 42.510 -0.100 0.000 1.834 322 c HN 0.110 nan 8.230 nan 0.000 0.460 323 Y N 0.732 120.970 120.300 -0.104 0.000 2.353 323 Y HA 0.396 4.947 4.550 0.001 0.000 0.340 323 Y C 0.520 176.301 175.900 -0.198 0.000 0.972 323 Y CA -0.344 57.660 58.100 -0.160 0.000 1.157 323 Y CB 0.619 38.897 38.460 -0.304 0.000 1.157 323 Y HN 0.738 nan 8.280 nan 0.000 0.495 324 D N 5.315 125.744 120.400 0.047 0.000 2.517 324 D HA 0.053 4.693 4.640 0.001 0.000 0.220 324 D C 1.360 177.620 176.300 -0.066 0.000 1.158 324 D CA -0.026 53.992 54.000 0.030 0.000 0.992 324 D CB 0.227 41.086 40.800 0.098 0.000 1.058 324 D HN 0.754 nan 8.370 nan 0.000 0.516 325 I N 0.211 120.600 120.570 -0.301 0.000 2.530 325 I HA -0.246 3.925 4.170 0.001 0.000 0.257 325 I C 0.836 176.818 176.117 -0.225 0.000 1.179 325 I CA 1.050 61.977 61.300 -0.621 0.000 1.440 325 I CB -0.365 37.137 38.000 -0.830 0.000 1.087 325 I HN 0.151 nan 8.210 nan 0.000 0.440 326 Y N 1.242 121.537 120.300 -0.009 0.000 2.448 326 Y HA 0.144 4.695 4.550 0.001 0.000 0.289 326 Y C 3.027 178.983 175.900 0.093 0.000 1.114 326 Y CA 1.536 59.662 58.100 0.044 0.000 1.235 326 Y CB -0.256 38.200 38.460 -0.007 0.000 1.045 326 Y HN 0.195 nan 8.280 nan 0.000 0.554 327 R N 0.213 120.888 120.500 0.292 0.000 2.156 327 R HA 0.187 4.528 4.340 0.001 0.000 0.207 327 R C 1.756 178.311 176.300 0.425 0.000 1.040 327 R CA 1.037 57.361 56.100 0.373 0.000 1.013 327 R CB -1.310 29.140 30.300 0.251 0.000 0.931 327 R HN 0.385 nan 8.270 nan 0.000 0.465 328 L N -1.383 120.041 121.223 0.336 0.000 2.240 328 L HA 0.207 4.547 4.340 0.001 0.000 0.211 328 L C 0.439 177.634 176.870 0.541 0.000 1.106 328 L CA 0.697 55.778 54.840 0.401 0.000 0.793 328 L CB 0.105 42.381 42.059 0.362 0.000 0.927 328 L HN 0.454 nan 8.230 nan 0.000 0.446 329 Y N -0.102 120.438 120.300 0.400 0.000 2.354 329 Y HA 0.361 4.912 4.550 0.001 0.000 0.330 329 Y C -0.626 175.561 175.900 0.478 0.000 1.011 329 Y CA -0.993 57.344 58.100 0.394 0.000 1.099 329 Y CB 0.901 39.578 38.460 0.361 0.000 1.179 329 Y HN -0.005 nan 8.280 nan 0.000 0.442 330 H N 3.680 122.514 119.070 -0.393 0.000 2.673 330 H HA 0.232 4.788 4.556 0.001 0.000 0.293 330 H C -0.234 174.856 175.328 -0.397 0.000 1.065 330 H CA -0.853 55.070 56.048 -0.207 0.000 1.236 330 H CB 1.477 31.221 29.762 -0.030 0.000 1.389 330 H HN 0.573 nan 8.280 nan 0.000 0.481 331 S N 3.399 119.056 115.700 -0.071 0.000 2.546 331 S HA 0.116 4.586 4.470 0.001 0.000 0.290 331 S C 0.584 175.133 174.600 -0.085 0.000 1.262 331 S CA -0.543 57.666 58.200 0.014 0.000 1.083 331 S CB -0.632 62.660 63.200 0.153 0.000 0.859 331 S HN 0.732 nan 8.310 nan 0.000 0.495 332 c N 3.176 121.694 118.600 -0.136 0.000 3.256 332 c HA 0.920 5.490 4.570 0.001 0.000 0.361 332 c C 1.649 175.579 174.090 -0.266 0.000 1.665 332 c CA -0.245 55.948 56.329 -0.228 0.000 1.445 332 c CB 0.733 43.299 42.510 0.093 0.000 2.144 332 c HN 0.912 nan 8.230 nan 0.000 0.448 333 A N -0.252 122.535 122.820 -0.055 0.000 2.239 333 A HA 0.158 4.478 4.320 0.001 0.000 0.209 333 A C 0.550 178.106 177.584 -0.047 0.000 1.171 333 A CA 1.529 53.676 52.037 0.184 0.000 0.768 333 A CB -0.731 18.477 19.000 0.346 0.000 0.790 333 A HN 0.855 nan 8.150 nan 0.000 0.478 334 D N -0.631 119.704 120.400 -0.109 0.000 2.458 334 D HA 0.276 4.916 4.640 0.001 0.000 0.258 334 D C -1.819 174.404 176.300 -0.127 0.000 1.134 334 D CA -2.242 51.704 54.000 -0.090 0.000 0.915 334 D CB 1.185 42.104 40.800 0.197 0.000 1.028 334 D HN 0.003 nan 8.370 nan 0.000 0.508 335 P HA -0.181 nan 4.420 nan 0.000 0.217 335 P C 1.191 178.573 177.300 0.138 0.000 1.148 335 P CA 1.286 64.294 63.100 -0.154 0.000 0.834 335 P CB -0.200 31.349 31.700 -0.252 0.000 0.783 336 T N -4.122 110.467 114.554 0.058 0.000 3.160 336 T HA 0.339 4.690 4.350 0.001 0.000 0.257 336 T C 0.858 175.662 174.700 0.173 0.000 1.147 336 T CA 0.269 62.376 62.100 0.011 0.000 1.064 336 T CB -1.097 67.486 68.868 -0.475 0.000 0.949 336 T HN 0.365 nan 8.240 nan 0.000 0.526 337 G N -1.114 107.827 108.800 0.235 0.000 3.055 337 G HA2 -0.097 3.864 3.960 0.001 0.000 0.686 337 G HA3 -0.097 3.864 3.960 0.001 0.000 0.686 337 G C 0.300 175.308 174.900 0.182 0.000 1.087 337 G CA -0.635 44.606 45.100 0.235 0.000 0.779 337 G HN 0.351 nan 8.290 nan 0.000 0.599 338 c N 1.702 120.390 118.600 0.147 0.000 2.525 338 c HA 0.727 5.297 4.570 0.001 0.000 0.291 338 c C 2.216 176.381 174.090 0.124 0.000 1.351 338 c CA 1.617 58.095 56.329 0.247 0.000 1.771 338 c CB -0.979 41.700 42.510 0.282 0.000 2.177 338 c HN 2.588 nan 8.230 nan 0.000 0.510 339 G N 0.702 109.522 108.800 0.033 0.000 2.445 339 G HA2 0.063 4.024 3.960 0.001 0.000 0.212 339 G HA3 0.063 4.024 3.960 0.001 0.000 0.212 339 G C -0.252 174.588 174.900 -0.099 0.000 1.217 339 G CA 0.128 45.222 45.100 -0.009 0.000 1.002 339 G HN 0.862 nan 8.290 nan 0.000 0.574 340 T N -2.448 112.052 114.554 -0.091 0.000 2.896 340 T HA 0.945 5.296 4.350 0.001 0.000 0.297 340 T C 0.793 175.500 174.700 0.010 0.000 1.108 340 T CA 0.827 62.827 62.100 -0.166 0.000 1.004 340 T CB 1.621 70.324 68.868 -0.275 0.000 1.159 340 T HN 3.013 nan 8.240 nan 0.000 0.499 341 G N 2.114 110.953 108.800 0.065 0.000 2.582 341 G HA2 0.006 3.967 3.960 0.001 0.000 0.222 341 G HA3 0.006 3.967 3.960 0.001 0.000 0.222 341 G C -2.494 172.507 174.900 0.169 0.000 1.311 341 G CA -0.215 44.956 45.100 0.119 0.000 0.915 341 G HN 0.715 nan 8.290 nan 0.000 0.528 342 P HA 0.122 nan 4.420 nan 0.000 0.220 342 P C 1.103 178.537 177.300 0.223 0.000 1.152 342 P CA 1.489 64.703 63.100 0.190 0.000 0.812 342 P CB 0.050 31.842 31.700 0.154 0.000 0.792 343 D N -0.314 120.251 120.400 0.274 0.000 2.178 343 D HA -0.079 4.562 4.640 0.001 0.000 0.202 343 D C 1.964 178.530 176.300 0.442 0.000 0.974 343 D CA 1.340 55.609 54.000 0.448 0.000 0.841 343 D CB -0.644 40.402 40.800 0.410 0.000 0.953 343 D HN 0.090 nan 8.370 nan 0.000 0.478 344 A N 0.633 123.636 122.820 0.305 0.000 1.929 344 A HA -0.087 4.233 4.320 0.001 0.000 0.216 344 A C 2.163 179.963 177.584 0.360 0.000 1.176 344 A CA 0.769 52.988 52.037 0.304 0.000 0.628 344 A CB -0.210 18.901 19.000 0.185 0.000 0.816 344 A HN 0.062 nan 8.150 nan 0.000 0.444 345 R N -0.553 120.158 120.500 0.352 0.000 2.090 345 R HA -0.015 4.325 4.340 0.001 0.000 0.228 345 R C 2.413 178.869 176.300 0.260 0.000 1.110 345 R CA 1.081 57.460 56.100 0.464 0.000 0.973 345 R CB -0.347 30.264 30.300 0.518 0.000 0.869 345 R HN 0.498 nan 8.270 nan 0.000 0.440 346 A N 0.722 123.633 122.820 0.152 0.000 1.930 346 A HA -0.172 4.149 4.320 0.001 0.000 0.217 346 A C 1.845 179.511 177.584 0.138 0.000 1.175 346 A CA 0.680 52.675 52.037 -0.070 0.000 0.627 346 A CB -0.801 17.939 19.000 -0.433 0.000 0.815 346 A HN 0.590 nan 8.150 nan 0.000 0.443 347 W N 0.785 122.208 121.300 0.205 0.000 2.381 347 W HA -0.179 4.481 4.660 0.001 0.000 0.301 347 W C 1.498 178.052 176.519 0.057 0.000 1.205 347 W CA 1.856 59.288 57.345 0.144 0.000 1.285 347 W CB -0.151 29.378 29.460 0.115 0.000 1.133 347 W HN 0.501 nan 8.180 nan 0.000 0.521 348 D N -0.482 119.968 120.400 0.084 0.000 2.182 348 D HA -0.280 4.361 4.640 0.001 0.000 0.201 348 D C 1.875 178.081 176.300 -0.157 0.000 0.986 348 D CA 1.430 55.477 54.000 0.078 0.000 0.847 348 D CB -0.713 40.370 40.800 0.472 0.000 0.942 348 D HN 0.212 nan 8.370 nan 0.000 0.467 349 Y N 0.911 120.866 120.300 -0.575 0.000 2.220 349 Y HA -0.086 4.465 4.550 0.001 0.000 0.291 349 Y C 2.258 177.828 175.900 -0.549 0.000 1.129 349 Y CA 1.570 59.135 58.100 -0.891 0.000 1.161 349 Y CB -0.121 37.629 38.460 -1.184 0.000 0.997 349 Y HN 0.022 nan 8.280 nan 0.000 0.522 350 Q N -0.521 118.991 119.800 -0.480 0.000 2.124 350 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 350 Q C 2.415 177.992 176.000 -0.705 0.000 0.977 350 Q CA 1.293 56.753 55.803 -0.573 0.000 0.850 350 Q CB -0.314 28.061 28.738 -0.606 0.000 0.901 350 Q HN 0.590 nan 8.270 nan 0.000 0.429 351 A N -0.109 122.219 122.820 -0.820 0.000 2.014 351 A HA -0.117 4.204 4.320 0.001 0.000 0.218 351 A C 2.111 179.527 177.584 -0.280 0.000 1.163 351 A CA 0.738 52.440 52.037 -0.557 0.000 0.652 351 A CB -0.467 18.228 19.000 -0.508 0.000 0.808 351 A HN 0.426 nan 8.150 nan 0.000 0.449 352 c N -0.612 117.804 118.600 -0.306 0.000 2.539 352 c HA 0.097 4.667 4.570 0.001 0.000 0.268 352 c C 2.667 176.581 174.090 -0.295 0.000 1.395 352 c CA 1.407 57.612 56.329 -0.207 0.000 1.757 352 c CB -1.085 41.344 42.510 -0.135 0.000 1.851 352 c HN 0.817 nan 8.230 nan 0.000 0.545 353 T N -2.493 111.830 114.554 -0.385 0.000 3.397 353 T HA 0.131 4.482 4.350 0.001 0.000 0.233 353 T C 1.389 176.009 174.700 -0.132 0.000 0.969 353 T CA 0.316 62.229 62.100 -0.311 0.000 1.316 353 T CB -0.126 68.445 68.868 -0.496 0.000 1.175 353 T HN 0.418 nan 8.240 nan 0.000 0.381 354 E N 0.697 120.839 120.200 -0.096 0.000 2.244 354 E HA 0.241 4.592 4.350 0.001 0.000 0.196 354 E C 0.097 176.706 176.600 0.016 0.000 0.939 354 E CA 0.004 56.446 56.400 0.070 0.000 0.884 354 E CB 0.412 30.222 29.700 0.183 0.000 0.850 354 E HN 0.386 nan 8.360 nan 0.000 0.481 355 I N 3.769 124.269 120.570 -0.117 0.000 2.347 355 I HA 0.093 4.264 4.170 0.001 0.000 0.294 355 I C -0.355 175.706 176.117 -0.094 0.000 1.090 355 I CA -0.106 61.119 61.300 -0.124 0.000 1.314 355 I CB -0.501 37.312 38.000 -0.313 0.000 1.423 355 I HN -0.041 nan 8.210 nan 0.000 0.503 356 N N 8.478 127.167 118.700 -0.017 0.000 2.437 356 N HA 0.316 5.057 4.740 0.001 0.000 0.243 356 N C -0.144 175.346 175.510 -0.033 0.000 1.041 356 N CA -0.279 52.759 53.050 -0.021 0.000 0.940 356 N CB 2.160 40.638 38.487 -0.014 0.000 1.133 356 N HN 0.508 nan 8.380 nan 0.000 0.506 357 L N 1.385 122.577 121.223 -0.052 0.000 2.960 357 L HA 0.152 4.493 4.340 0.001 0.000 0.274 357 L C 0.690 177.393 176.870 -0.279 0.000 1.327 357 L CA -0.422 54.354 54.840 -0.106 0.000 0.860 357 L CB 0.262 42.413 42.059 0.153 0.000 1.239 357 L HN 0.378 nan 8.230 nan 0.000 0.551 358 T N -2.461 111.929 114.554 -0.272 0.000 4.280 358 T HA 0.246 4.596 4.350 0.001 0.000 0.245 358 T C -0.156 174.441 174.700 -0.171 0.000 1.100 358 T CA -0.015 62.084 62.100 -0.003 0.000 1.137 358 T CB -1.042 67.900 68.868 0.124 0.000 1.296 358 T HN -0.050 nan 8.240 nan 0.000 0.998 359 F N 1.664 121.651 119.950 0.063 0.000 2.408 359 F HA 0.671 5.199 4.527 0.001 0.000 0.344 359 F C 0.632 176.582 175.800 0.249 0.000 1.112 359 F CA -1.184 56.884 58.000 0.114 0.000 1.096 359 F CB 1.161 40.138 39.000 -0.039 0.000 1.129 359 F HN 0.590 nan 8.300 nan 0.000 0.486 360 A N 1.716 124.826 122.820 0.484 0.000 2.350 360 A HA 0.849 5.170 4.320 0.001 0.000 0.318 360 A C -0.675 177.098 177.584 0.314 0.000 1.132 360 A CA -0.589 51.644 52.037 0.325 0.000 0.811 360 A CB 1.187 20.313 19.000 0.210 0.000 1.313 360 A HN 0.727 nan 8.150 nan 0.000 0.454 361 S N -0.376 115.343 115.700 0.033 0.000 2.513 361 S HA 0.583 5.054 4.470 0.001 0.000 0.299 361 S C -0.266 174.296 174.600 -0.063 0.000 1.087 361 S CA -0.307 57.850 58.200 -0.071 0.000 1.012 361 S CB 1.481 64.437 63.200 -0.405 0.000 1.044 361 S HN 0.908 nan 8.310 nan 0.000 0.485 362 N N 0.893 119.561 118.700 -0.053 0.000 2.129 362 N HA 0.148 4.889 4.740 0.001 0.000 0.222 362 N C 0.204 175.659 175.510 -0.092 0.000 1.303 362 N CA 0.123 53.139 53.050 -0.056 0.000 0.897 362 N CB -0.281 38.199 38.487 -0.012 0.000 1.093 362 N HN 0.680 nan 8.380 nan 0.000 0.501 363 N N -1.301 117.320 118.700 -0.132 0.000 2.925 363 N HA -0.166 4.574 4.740 0.001 0.000 0.244 363 N C -0.339 175.103 175.510 -0.114 0.000 1.000 363 N CA 1.126 54.081 53.050 -0.159 0.000 0.895 363 N CB -1.185 37.197 38.487 -0.174 0.000 1.119 363 N HN 0.195 nan 8.380 nan 0.000 0.569 364 V N -1.847 118.017 119.914 -0.083 0.000 2.950 364 V HA 0.160 4.281 4.120 0.001 0.000 0.231 364 V C 2.000 178.058 176.094 -0.060 0.000 1.205 364 V CA 1.332 63.596 62.300 -0.061 0.000 1.239 364 V CB -0.098 31.703 31.823 -0.036 0.000 1.050 364 V HN 0.540 nan 8.190 nan 0.000 0.498 365 T N -0.378 114.150 114.554 -0.042 0.000 3.169 365 T HA 0.207 4.557 4.350 0.001 0.000 0.250 365 T C 0.019 174.688 174.700 -0.050 0.000 1.111 365 T CA 0.536 62.618 62.100 -0.031 0.000 1.010 365 T CB -0.654 68.217 68.868 0.005 0.000 0.984 365 T HN 0.728 nan 8.240 nan 0.000 0.537 366 D N -0.378 119.962 120.400 -0.101 0.000 2.639 366 D HA 0.309 4.950 4.640 0.001 0.000 0.271 366 D C 1.034 177.129 176.300 -0.342 0.000 1.254 366 D CA -0.998 52.887 54.000 -0.191 0.000 0.810 366 D CB 0.673 41.438 40.800 -0.059 0.000 1.351 366 D HN 0.071 nan 8.370 nan 0.000 0.427 367 M N -1.119 118.111 119.600 -0.616 0.000 2.506 367 M HA 0.271 4.752 4.480 0.001 0.000 0.260 367 M C -0.590 175.270 176.300 -0.732 0.000 1.104 367 M CA 0.271 55.185 55.300 -0.644 0.000 1.112 367 M CB -0.314 31.869 32.600 -0.695 0.000 1.401 367 M HN 0.132 nan 8.290 nan 0.000 0.473 368 F N 2.438 122.062 119.950 -0.543 0.000 2.406 368 F HA 0.488 5.015 4.527 0.001 0.000 0.327 368 F C -2.104 173.192 175.800 -0.840 0.000 1.153 368 F CA -2.653 54.795 58.000 -0.919 0.000 1.218 368 F CB -0.658 37.831 39.000 -0.852 0.000 1.215 368 F HN -0.092 nan 8.300 nan 0.000 0.570 369 P HA 0.055 nan 4.420 nan 0.000 0.274 369 P C -1.000 176.078 177.300 -0.369 0.000 1.256 369 P CA -0.463 62.245 63.100 -0.654 0.000 0.795 369 P CB 0.427 31.513 31.700 -1.023 0.000 1.038 370 D N 0.673 120.949 120.400 -0.208 0.000 2.385 370 D HA 0.098 4.738 4.640 0.001 0.000 0.260 370 D C -0.812 175.440 176.300 -0.081 0.000 1.326 370 D CA 0.227 54.158 54.000 -0.114 0.000 1.023 370 D CB -1.013 39.751 40.800 -0.059 0.000 1.083 370 D HN 0.132 nan 8.370 nan 0.000 0.517 371 L N 6.338 127.495 121.223 -0.110 0.000 2.335 371 L HA 0.417 4.757 4.340 0.001 0.000 0.268 371 L C -2.007 174.868 176.870 0.008 0.000 1.037 371 L CA -1.779 53.024 54.840 -0.063 0.000 0.895 371 L CB 1.088 43.066 42.059 -0.135 0.000 1.266 371 L HN 0.296 nan 8.230 nan 0.000 0.439 372 P HA 0.216 nan 4.420 nan 0.000 0.278 372 P C -1.114 176.287 177.300 0.168 0.000 1.238 372 P CA -0.259 62.893 63.100 0.087 0.000 0.794 372 P CB 1.233 32.958 31.700 0.042 0.000 0.955 373 F N 1.885 121.850 119.950 0.025 0.000 2.562 373 F HA 0.444 4.971 4.527 0.001 0.000 0.319 373 F C -0.361 175.441 175.800 0.002 0.000 1.154 373 F CA 0.191 58.203 58.000 0.020 0.000 0.931 373 F CB 1.603 40.632 39.000 0.049 0.000 1.198 373 F HN 0.379 nan 8.300 nan 0.000 0.444 374 T N 0.691 114.998 114.554 -0.412 0.000 2.901 374 T HA 0.307 4.658 4.350 0.001 0.000 0.293 374 T C 0.484 174.942 174.700 -0.404 0.000 1.084 374 T CA -0.789 61.147 62.100 -0.274 0.000 1.008 374 T CB 1.841 70.613 68.868 -0.160 0.000 1.170 374 T HN 0.485 nan 8.240 nan 0.000 0.509 375 D N 0.642 120.900 120.400 -0.236 0.000 2.144 375 D HA -0.095 4.545 4.640 0.001 0.000 0.199 375 D C 2.377 178.513 176.300 -0.273 0.000 0.984 375 D CA 1.815 55.670 54.000 -0.242 0.000 0.834 375 D CB -0.134 40.562 40.800 -0.172 0.000 0.955 375 D HN 0.887 nan 8.370 nan 0.000 0.465 376 E N 1.119 121.196 120.200 -0.206 0.000 2.077 376 E HA -0.146 4.205 4.350 0.001 0.000 0.193 376 E C 2.182 178.679 176.600 -0.172 0.000 0.989 376 E CA 0.690 56.998 56.400 -0.154 0.000 0.800 376 E CB -0.915 28.730 29.700 -0.090 0.000 0.746 376 E HN 0.243 nan 8.360 nan 0.000 0.452 377 L N -0.774 120.302 121.223 -0.245 0.000 2.109 377 L HA -0.033 4.307 4.340 0.001 0.000 0.207 377 L C 2.959 179.662 176.870 -0.277 0.000 1.086 377 L CA 1.382 56.067 54.840 -0.258 0.000 0.760 377 L CB -0.060 41.793 42.059 -0.343 0.000 0.910 377 L HN 0.309 nan 8.230 nan 0.000 0.437 378 R N -0.394 119.845 120.500 -0.436 0.000 2.066 378 R HA -0.190 4.150 4.340 0.001 0.000 0.232 378 R C 2.244 178.479 176.300 -0.108 0.000 1.131 378 R CA 1.575 57.530 56.100 -0.241 0.000 0.955 378 R CB -0.108 30.037 30.300 -0.258 0.000 0.851 378 R HN 0.388 nan 8.270 nan 0.000 0.432 379 Q N -0.427 119.222 119.800 -0.251 0.000 2.045 379 Q HA -0.258 4.083 4.340 0.001 0.000 0.206 379 Q C 2.566 178.516 176.000 -0.084 0.000 0.991 379 Q CA 3.024 58.627 55.803 -0.333 0.000 0.851 379 Q CB -0.309 28.076 28.738 -0.588 0.000 0.911 379 Q HN 0.406 nan 8.270 nan 0.000 0.418 380 R N 0.494 120.980 120.500 -0.024 0.000 2.096 380 R HA -0.242 4.098 4.340 0.001 0.000 0.229 380 R C 1.951 178.291 176.300 0.067 0.000 1.134 380 R CA 2.033 58.160 56.100 0.045 0.000 0.917 380 R CB -2.108 28.215 30.300 0.039 0.000 0.832 380 R HN 0.525 nan 8.270 nan 0.000 0.430 381 Y N 0.917 121.214 120.300 -0.006 0.000 2.096 381 Y HA -0.336 4.214 4.550 0.001 0.000 0.278 381 Y C 2.629 178.564 175.900 0.058 0.000 1.192 381 Y CA 1.752 59.870 58.100 0.030 0.000 1.143 381 Y CB -0.887 37.610 38.460 0.061 0.000 0.963 381 Y HN 0.400 nan 8.280 nan 0.000 0.505 382 c N -0.054 118.554 118.600 0.013 0.000 2.440 382 c HA -0.129 4.442 4.570 0.001 0.000 0.278 382 c C 2.838 176.936 174.090 0.013 0.000 1.295 382 c CA 1.077 57.416 56.329 0.016 0.000 1.738 382 c CB -1.456 41.106 42.510 0.086 0.000 1.987 382 c HN 0.619 nan 8.230 nan 0.000 0.492 383 L N 0.875 122.117 121.223 0.031 0.000 2.072 383 L HA -0.038 4.302 4.340 0.001 0.000 0.205 383 L C 2.606 179.469 176.870 -0.012 0.000 1.079 383 L CA 2.128 57.008 54.840 0.067 0.000 0.752 383 L CB -0.889 41.250 42.059 0.133 0.000 0.906 383 L HN 0.502 nan 8.230 nan 0.000 0.436 384 D N -1.732 118.622 120.400 -0.075 0.000 2.347 384 D HA -0.054 4.586 4.640 0.001 0.000 0.215 384 D C 1.996 178.154 176.300 -0.237 0.000 0.976 384 D CA 1.422 55.353 54.000 -0.116 0.000 0.884 384 D CB -0.187 40.567 40.800 -0.077 0.000 0.915 384 D HN 0.320 nan 8.370 nan 0.000 0.526 385 T N -2.114 112.203 114.554 -0.394 0.000 3.071 385 T HA 0.138 4.488 4.350 0.001 0.000 0.239 385 T C 1.094 175.360 174.700 -0.725 0.000 0.997 385 T CA 0.298 61.993 62.100 -0.675 0.000 1.134 385 T CB -0.055 68.173 68.868 -1.067 0.000 0.928 385 T HN 0.689 nan 8.240 nan 0.000 0.453 386 W N 0.877 122.129 121.300 -0.081 0.000 2.870 386 W HA 0.487 5.147 4.660 0.001 0.000 0.358 386 W C 1.342 177.901 176.519 0.066 0.000 1.043 386 W CA -0.462 56.914 57.345 0.051 0.000 1.692 386 W CB 0.390 29.958 29.460 0.179 0.000 1.100 386 W HN 0.360 nan 8.180 nan 0.000 0.557 387 G N 2.016 110.915 108.800 0.166 0.000 2.305 387 G HA2 -0.163 3.797 3.960 0.001 0.000 0.287 387 G HA3 -0.163 3.797 3.960 0.001 0.000 0.287 387 G C -0.205 174.798 174.900 0.171 0.000 1.036 387 G CA 0.542 45.720 45.100 0.130 0.000 0.887 387 G HN 0.515 nan 8.290 nan 0.000 0.505 388 V N -4.358 115.675 119.914 0.198 0.000 3.001 388 V HA 0.881 5.002 4.120 0.001 0.000 0.314 388 V C -0.081 176.140 176.094 0.212 0.000 1.099 388 V CA -1.834 60.573 62.300 0.178 0.000 0.989 388 V CB 2.271 34.158 31.823 0.107 0.000 1.040 388 V HN 0.595 nan 8.190 nan 0.000 0.434 389 W N 3.885 125.173 121.300 -0.020 0.000 2.417 389 W HA 0.617 5.278 4.660 0.001 0.000 0.315 389 W C -2.815 173.677 176.519 -0.045 0.000 1.045 389 W CA -2.167 55.164 57.345 -0.024 0.000 1.221 389 W CB 2.157 31.604 29.460 -0.022 0.000 1.309 389 W HN 0.534 nan 8.180 nan 0.000 0.453 390 P HA 0.113 nan 4.420 nan 0.000 0.269 390 P C -0.809 176.401 177.300 -0.150 0.000 1.215 390 P CA 0.320 63.283 63.100 -0.229 0.000 0.780 390 P CB 0.576 32.108 31.700 -0.279 0.000 0.898 391 R N 2.924 123.410 120.500 -0.022 0.000 2.664 391 R HA 0.205 4.546 4.340 0.001 0.000 0.281 391 R C -1.645 174.709 176.300 0.090 0.000 1.383 391 R CA -1.279 54.866 56.100 0.075 0.000 1.563 391 R CB 0.835 31.197 30.300 0.103 0.000 1.131 391 R HN 0.432 nan 8.270 nan 0.000 0.599 392 P HA -0.162 nan 4.420 nan 0.000 0.230 392 P C 0.108 177.444 177.300 0.061 0.000 1.158 392 P CA 1.124 64.239 63.100 0.024 0.000 0.769 392 P CB 0.322 32.007 31.700 -0.026 0.000 0.807 393 D N -2.176 118.283 120.400 0.100 0.000 2.327 393 D HA -0.126 4.515 4.640 0.001 0.000 0.205 393 D C 1.910 178.292 176.300 0.137 0.000 0.989 393 D CA -0.100 53.962 54.000 0.103 0.000 0.873 393 D CB -1.059 39.807 40.800 0.110 0.000 0.955 393 D HN 0.251 nan 8.370 nan 0.000 0.515 394 W N 1.685 122.983 121.300 -0.004 0.000 2.332 394 W HA -0.202 4.459 4.660 0.001 0.000 0.321 394 W C 1.884 178.389 176.519 -0.022 0.000 1.219 394 W CA 0.452 57.785 57.345 -0.019 0.000 1.277 394 W CB -0.364 29.082 29.460 -0.023 0.000 1.161 394 W HN -0.032 nan 8.180 nan 0.000 0.476 395 L N 0.925 122.046 121.223 -0.170 0.000 2.129 395 L HA -0.251 4.090 4.340 0.001 0.000 0.212 395 L C 2.525 179.266 176.870 -0.214 0.000 1.087 395 L CA 1.501 56.228 54.840 -0.188 0.000 0.757 395 L CB -1.013 41.089 42.059 0.071 0.000 0.896 395 L HN 0.086 nan 8.230 nan 0.000 0.434 396 L N -1.820 119.315 121.223 -0.147 0.000 2.131 396 L HA -0.096 4.245 4.340 0.001 0.000 0.206 396 L C 2.278 179.055 176.870 -0.155 0.000 1.087 396 L CA 1.993 56.783 54.840 -0.083 0.000 0.767 396 L CB -0.813 41.237 42.059 -0.015 0.000 0.917 396 L HN 0.200 nan 8.230 nan 0.000 0.441 397 T N -1.390 113.000 114.554 -0.274 0.000 2.708 397 T HA -0.170 4.181 4.350 0.001 0.000 0.266 397 T C 2.037 176.410 174.700 -0.545 0.000 1.037 397 T CA 1.745 63.653 62.100 -0.319 0.000 1.146 397 T CB -0.343 68.377 68.868 -0.246 0.000 0.865 397 T HN 0.360 nan 8.240 nan 0.000 0.435 398 S N 0.040 115.077 115.700 -1.105 0.000 2.371 398 S HA 0.048 4.519 4.470 0.001 0.000 0.224 398 S C 0.944 174.766 174.600 -1.297 0.000 1.029 398 S CA 0.837 58.178 58.200 -1.431 0.000 0.978 398 S CB -0.214 61.690 63.200 -2.161 0.000 0.833 398 S HN 0.482 nan 8.310 nan 0.000 0.466 399 F N -0.122 119.518 119.950 -0.517 0.000 2.683 399 F HA 0.303 4.830 4.527 0.001 0.000 0.306 399 F C -0.030 175.502 175.800 -0.448 0.000 1.102 399 F CA -0.858 56.708 58.000 -0.722 0.000 1.244 399 F CB 0.069 38.393 39.000 -1.127 0.000 1.029 399 F HN 0.167 nan 8.300 nan 0.000 0.545 400 W N -0.730 120.514 121.300 -0.092 0.000 2.062 400 W HA -0.288 4.373 4.660 0.001 0.000 0.257 400 W C 1.314 177.834 176.519 0.001 0.000 1.024 400 W CA 0.333 57.654 57.345 -0.042 0.000 0.471 400 W CB -1.939 27.513 29.460 -0.014 0.000 2.039 400 W HN 0.484 nan 8.180 nan 0.000 1.321 401 G N 0.547 109.446 108.800 0.165 0.000 2.646 401 G HA2 -0.237 3.723 3.960 0.001 0.000 0.324 401 G HA3 -0.237 3.723 3.960 0.001 0.000 0.324 401 G C 1.166 176.127 174.900 0.102 0.000 1.195 401 G CA 2.724 47.893 45.100 0.115 0.000 0.976 401 G HN 1.321 nan 8.290 nan 0.000 0.546 402 G N -0.228 108.622 108.800 0.083 0.000 2.796 402 G HA2 0.314 4.275 3.960 0.001 0.000 0.210 402 G HA3 0.314 4.275 3.960 0.001 0.000 0.210 402 G C 0.559 175.514 174.900 0.092 0.000 1.146 402 G CA 1.270 46.400 45.100 0.051 0.000 0.779 402 G HN 0.753 nan 8.290 nan 0.000 0.535 403 D N 1.184 121.663 120.400 0.133 0.000 2.545 403 D HA 0.155 4.795 4.640 0.001 0.000 0.227 403 D C 0.756 177.208 176.300 0.252 0.000 1.150 403 D CA -0.146 53.934 54.000 0.133 0.000 1.046 403 D CB -0.271 40.573 40.800 0.073 0.000 1.098 403 D HN 0.136 nan 8.370 nan 0.000 0.502 404 L N 2.971 124.348 121.223 0.256 0.000 3.062 404 L HA 0.308 4.648 4.340 0.001 0.000 0.255 404 L C 2.039 179.065 176.870 0.260 0.000 1.274 404 L CA -0.382 54.688 54.840 0.383 0.000 1.047 404 L CB 0.215 42.486 42.059 0.355 0.000 1.402 404 L HN 0.043 nan 8.230 nan 0.000 0.550 405 R N 0.899 121.487 120.500 0.146 0.000 2.096 405 R HA -0.088 4.253 4.340 0.001 0.000 0.235 405 R C 2.166 178.506 176.300 0.067 0.000 1.127 405 R CA 1.494 57.643 56.100 0.082 0.000 0.968 405 R CB -0.210 30.107 30.300 0.029 0.000 0.861 405 R HN 0.413 nan 8.270 nan 0.000 0.440 406 A N 0.918 123.757 122.820 0.032 0.000 2.208 406 A HA 0.311 4.632 4.320 0.001 0.000 0.209 406 A C 0.966 178.625 177.584 0.125 0.000 1.161 406 A CA 0.287 52.321 52.037 -0.006 0.000 0.782 406 A CB 0.028 18.919 19.000 -0.183 0.000 0.816 406 A HN 0.318 nan 8.150 nan 0.000 0.477 407 A N 0.276 123.272 122.820 0.293 0.000 2.313 407 A HA 0.619 4.939 4.320 0.001 0.000 0.261 407 A C 0.481 178.143 177.584 0.130 0.000 1.090 407 A CA 0.374 52.595 52.037 0.307 0.000 0.807 407 A CB 0.199 19.422 19.000 0.373 0.000 1.055 407 A HN 1.162 nan 8.150 nan 0.000 0.492 408 S N 0.083 115.805 115.700 0.036 0.000 2.556 408 S HA 0.564 5.035 4.470 0.001 0.000 0.271 408 S C -0.736 173.745 174.600 -0.198 0.000 1.135 408 S CA -0.869 57.307 58.200 -0.040 0.000 0.858 408 S CB 1.117 64.294 63.200 -0.037 0.000 1.114 408 S HN 0.984 nan 8.310 nan 0.000 0.468 409 N N -0.026 118.531 118.700 -0.239 0.000 2.708 409 N HA -0.129 4.612 4.740 0.001 0.000 0.255 409 N C -1.333 173.710 175.510 -0.777 0.000 1.046 409 N CA 1.137 53.796 53.050 -0.651 0.000 0.715 409 N CB -1.667 36.081 38.487 -1.231 0.000 0.895 409 N HN 0.789 nan 8.380 nan 0.000 0.545 410 I N 0.263 120.672 120.570 -0.269 0.000 2.512 410 I HA 0.409 4.580 4.170 0.001 0.000 0.287 410 I C 0.130 176.153 176.117 -0.156 0.000 1.069 410 I CA -0.597 60.500 61.300 -0.338 0.000 1.056 410 I CB 1.714 39.373 38.000 -0.568 0.000 1.229 410 I HN -0.023 nan 8.210 nan 0.000 0.429 411 I N 5.836 126.357 120.570 -0.081 0.000 2.304 411 I HA 0.279 4.450 4.170 0.001 0.000 0.291 411 I C -0.889 175.090 176.117 -0.229 0.000 1.018 411 I CA -0.231 61.036 61.300 -0.055 0.000 1.260 411 I CB 0.588 38.582 38.000 -0.009 0.000 1.390 411 I HN 0.351 nan 8.210 nan 0.000 0.475 412 F N 5.241 125.203 119.950 0.021 0.000 2.313 412 F HA 0.277 4.805 4.527 0.001 0.000 0.369 412 F C 0.764 176.565 175.800 0.002 0.000 1.109 412 F CA -0.534 57.465 58.000 -0.003 0.000 1.132 412 F CB 1.067 40.072 39.000 0.009 0.000 1.291 412 F HN 0.374 nan 8.300 nan 0.000 0.496 413 S N 3.787 119.567 115.700 0.134 0.000 2.565 413 S HA 0.679 5.150 4.470 0.001 0.000 0.290 413 S C -0.565 174.090 174.600 0.091 0.000 1.150 413 S CA -0.746 57.504 58.200 0.084 0.000 1.058 413 S CB 1.710 64.927 63.200 0.028 0.000 1.032 413 S HN 0.540 nan 8.310 nan 0.000 0.510 414 N N 0.155 118.900 118.700 0.076 0.000 2.396 414 N HA 0.476 5.217 4.740 0.001 0.000 0.275 414 N C -0.773 174.772 175.510 0.059 0.000 1.218 414 N CA -0.678 52.419 53.050 0.078 0.000 0.812 414 N CB 2.235 40.777 38.487 0.092 0.000 1.592 414 N HN 0.886 nan 8.380 nan 0.000 0.480 415 G N -0.050 108.788 108.800 0.063 0.000 2.410 415 G HA2 0.176 4.137 3.960 0.001 0.000 0.330 415 G HA3 0.176 4.137 3.960 0.001 0.000 0.330 415 G C 0.938 175.856 174.900 0.030 0.000 1.142 415 G CA -0.449 44.677 45.100 0.043 0.000 0.902 415 G HN 0.643 nan 8.290 nan 0.000 0.491 416 N N 0.995 119.699 118.700 0.007 0.000 2.331 416 N HA -0.100 4.641 4.740 0.001 0.000 0.180 416 N C 1.637 177.127 175.510 -0.032 0.000 1.019 416 N CA 0.854 53.898 53.050 -0.009 0.000 0.881 416 N CB -0.263 38.216 38.487 -0.014 0.000 0.972 416 N HN 0.453 nan 8.380 nan 0.000 0.435 417 L N -0.579 120.617 121.223 -0.045 0.000 2.591 417 L HA 0.188 4.529 4.340 0.001 0.000 0.228 417 L C 0.149 176.968 176.870 -0.085 0.000 1.133 417 L CA -0.063 54.725 54.840 -0.086 0.000 0.880 417 L CB -0.514 41.477 42.059 -0.114 0.000 1.033 417 L HN -0.036 nan 8.230 nan 0.000 0.450 418 D N 1.890 122.278 120.400 -0.020 0.000 2.325 418 D HA 0.110 4.751 4.640 0.001 0.000 0.251 418 D C -1.319 174.971 176.300 -0.016 0.000 1.196 418 D CA -2.229 51.803 54.000 0.053 0.000 0.866 418 D CB 1.479 42.380 40.800 0.169 0.000 1.101 418 D HN -0.084 nan 8.370 nan 0.000 0.476 419 P HA -0.071 nan 4.420 nan 0.000 0.226 419 P C 1.057 178.153 177.300 -0.340 0.000 1.153 419 P CA 0.713 63.528 63.100 -0.476 0.000 0.777 419 P CB 0.079 31.148 31.700 -1.052 0.000 0.794 420 W N 0.505 121.849 121.300 0.075 0.000 2.658 420 W HA 0.207 4.868 4.660 0.001 0.000 0.263 420 W C 2.591 179.193 176.519 0.138 0.000 1.274 420 W CA 0.529 57.996 57.345 0.203 0.000 1.343 420 W CB -0.728 28.916 29.460 0.307 0.000 1.106 420 W HN -0.067 nan 8.180 nan 0.000 0.615 421 A N 0.665 123.653 122.820 0.279 0.000 1.927 421 A HA -0.207 4.114 4.320 0.001 0.000 0.220 421 A C 2.212 179.875 177.584 0.132 0.000 1.185 421 A CA 2.061 54.202 52.037 0.173 0.000 0.639 421 A CB -1.485 17.576 19.000 0.101 0.000 0.820 421 A HN 0.325 nan 8.150 nan 0.000 0.451 422 G N -1.357 107.502 108.800 0.098 0.000 2.625 422 G HA2 0.171 4.132 3.960 0.001 0.000 0.214 422 G HA3 0.171 4.132 3.960 0.001 0.000 0.214 422 G C 1.132 176.116 174.900 0.141 0.000 1.132 422 G CA 1.025 46.175 45.100 0.083 0.000 0.782 422 G HN 0.783 nan 8.290 nan 0.000 0.538 423 G N -0.618 108.314 108.800 0.221 0.000 3.088 423 G HA2 0.471 4.432 3.960 0.001 0.000 0.217 423 G HA3 0.471 4.432 3.960 0.001 0.000 0.217 423 G C 0.662 175.679 174.900 0.196 0.000 1.159 423 G CA 0.634 45.906 45.100 0.286 0.000 0.760 423 G HN 0.624 nan 8.290 nan 0.000 0.550 424 G N -0.234 108.641 108.800 0.125 0.000 3.209 424 G HA2 0.486 4.446 3.960 0.001 0.000 0.236 424 G HA3 0.486 4.446 3.960 0.001 0.000 0.236 424 G C -0.804 174.054 174.900 -0.071 0.000 1.329 424 G CA -0.786 44.324 45.100 0.016 0.000 1.015 424 G HN -0.048 nan 8.290 nan 0.000 0.571 425 I N 1.573 122.012 120.570 -0.219 0.000 2.379 425 I HA 0.316 4.487 4.170 0.001 0.000 0.290 425 I C 0.767 176.860 176.117 -0.039 0.000 1.063 425 I CA -0.278 60.886 61.300 -0.226 0.000 1.351 425 I CB 1.253 38.912 38.000 -0.568 0.000 1.410 425 I HN 0.404 nan 8.210 nan 0.000 0.505 426 R N 5.239 125.737 120.500 -0.004 0.000 2.335 426 R HA 0.155 4.496 4.340 0.001 0.000 0.210 426 R C 0.438 176.761 176.300 0.039 0.000 0.892 426 R CA 0.095 56.214 56.100 0.030 0.000 1.048 426 R CB 0.364 30.682 30.300 0.029 0.000 1.067 426 R HN 0.660 nan 8.270 nan 0.000 0.524 427 R N -0.015 120.508 120.500 0.037 0.000 2.795 427 R HA 0.403 4.744 4.340 0.001 0.000 0.275 427 R C -0.965 175.375 176.300 0.067 0.000 0.981 427 R CA -0.851 55.276 56.100 0.047 0.000 0.917 427 R CB 0.657 30.978 30.300 0.035 0.000 1.202 427 R HN -0.310 nan 8.270 nan 0.000 0.469 428 N N 1.992 120.737 118.700 0.075 0.000 2.447 428 N HA 0.032 4.772 4.740 0.001 0.000 0.263 428 N C 0.380 175.942 175.510 0.088 0.000 1.226 428 N CA 0.028 53.134 53.050 0.094 0.000 0.906 428 N CB 0.602 39.136 38.487 0.079 0.000 1.060 428 N HN 0.630 nan 8.380 nan 0.000 0.468 429 L N 0.316 121.607 121.223 0.113 0.000 2.375 429 L HA 0.074 4.415 4.340 0.001 0.000 0.215 429 L C 0.718 177.643 176.870 0.091 0.000 1.108 429 L CA 0.459 55.359 54.840 0.101 0.000 0.830 429 L CB -0.128 42.008 42.059 0.127 0.000 0.959 429 L HN 0.640 nan 8.230 nan 0.000 0.457 430 S N -2.901 112.858 115.700 0.097 0.000 2.703 430 S HA 0.510 4.981 4.470 0.001 0.000 0.273 430 S C 0.359 175.008 174.600 0.082 0.000 1.178 430 S CA -0.245 58.003 58.200 0.081 0.000 0.838 430 S CB 1.279 64.527 63.200 0.080 0.000 1.178 430 S HN -0.118 nan 8.310 nan 0.000 0.494 431 A N 0.956 123.818 122.820 0.071 0.000 2.015 431 A HA 0.120 4.441 4.320 0.001 0.000 0.219 431 A C 2.036 179.676 177.584 0.094 0.000 1.163 431 A CA 1.986 54.066 52.037 0.071 0.000 0.646 431 A CB -1.075 17.960 19.000 0.058 0.000 0.806 431 A HN 1.539 nan 8.150 nan 0.000 0.448 432 S N -1.961 113.803 115.700 0.106 0.000 2.512 432 S HA 0.276 4.746 4.470 0.001 0.000 0.216 432 S C 0.119 174.814 174.600 0.159 0.000 1.006 432 S CA 0.149 58.437 58.200 0.146 0.000 0.915 432 S CB 0.143 63.408 63.200 0.109 0.000 0.824 432 S HN 0.097 nan 8.310 nan 0.000 0.497 433 V N 4.261 124.256 119.914 0.135 0.000 2.294 433 V HA 0.487 4.608 4.120 0.001 0.000 0.272 433 V C -0.840 175.359 176.094 0.176 0.000 1.027 433 V CA -0.648 61.746 62.300 0.157 0.000 0.823 433 V CB 0.731 32.666 31.823 0.185 0.000 1.030 433 V HN 0.403 nan 8.190 nan 0.000 0.457 434 I N 3.673 124.346 120.570 0.172 0.000 2.493 434 I HA 0.742 4.913 4.170 0.001 0.000 0.298 434 I C 0.389 176.611 176.117 0.175 0.000 0.998 434 I CA -0.737 60.649 61.300 0.144 0.000 1.137 434 I CB 1.840 39.900 38.000 0.100 0.000 1.310 434 I HN 0.570 nan 8.210 nan 0.000 0.445 435 A N 6.074 128.984 122.820 0.150 0.000 2.318 435 A HA 0.753 5.074 4.320 0.001 0.000 0.324 435 A C -0.705 176.933 177.584 0.090 0.000 1.170 435 A CA -0.493 51.636 52.037 0.153 0.000 0.810 435 A CB 1.163 20.241 19.000 0.130 0.000 1.198 435 A HN 0.437 nan 8.150 nan 0.000 0.484 436 V N 2.336 122.297 119.914 0.079 0.000 2.495 436 V HA 0.527 4.648 4.120 0.001 0.000 0.298 436 V C -0.037 176.081 176.094 0.039 0.000 1.031 436 V CA -0.390 61.934 62.300 0.040 0.000 0.871 436 V CB 1.976 33.807 31.823 0.013 0.000 0.988 436 V HN 0.929 nan 8.190 nan 0.000 0.432 437 T N 5.887 120.457 114.554 0.026 0.000 2.771 437 T HA 0.661 5.012 4.350 0.001 0.000 0.281 437 T C -0.335 174.371 174.700 0.010 0.000 0.982 437 T CA -0.152 61.962 62.100 0.023 0.000 0.978 437 T CB 1.042 69.923 68.868 0.022 0.000 0.930 437 T HN 0.346 nan 8.240 nan 0.000 0.447 438 I N 3.746 124.323 120.570 0.011 0.000 2.307 438 I HA 0.182 4.352 4.170 0.001 0.000 0.289 438 I C 0.418 176.538 176.117 0.006 0.000 1.021 438 I CA -0.586 60.717 61.300 0.004 0.000 1.224 438 I CB 1.018 39.021 38.000 0.005 0.000 1.376 438 I HN 0.349 nan 8.210 nan 0.000 0.470 439 Q N 5.345 125.145 119.800 0.001 0.000 2.293 439 Q HA 0.311 4.651 4.340 0.001 0.000 0.263 439 Q C 1.071 177.068 176.000 -0.005 0.000 1.002 439 Q CA 0.333 56.134 55.803 -0.003 0.000 0.910 439 Q CB 1.143 29.878 28.738 -0.004 0.000 1.185 439 Q HN 1.013 nan 8.270 nan 0.000 0.401 440 G N 2.296 111.088 108.800 -0.012 0.000 2.132 440 G HA2 -0.210 3.750 3.960 0.001 0.000 0.234 440 G HA3 -0.210 3.750 3.960 0.001 0.000 0.234 440 G C 0.383 175.277 174.900 -0.009 0.000 0.989 440 G CA -0.214 44.875 45.100 -0.019 0.000 0.676 440 G HN 0.808 nan 8.290 nan 0.000 0.522 441 G N -0.659 108.144 108.800 0.004 0.000 2.367 441 G HA2 0.862 4.823 3.960 0.001 0.000 0.314 441 G HA3 0.862 4.823 3.960 0.001 0.000 0.314 441 G C 0.395 175.306 174.900 0.018 0.000 1.130 441 G CA 0.633 45.753 45.100 0.032 0.000 0.864 441 G HN 1.257 nan 8.290 nan 0.000 0.486 442 A N 1.468 124.308 122.820 0.032 0.000 3.804 442 A HA 0.589 4.910 4.320 0.001 0.000 0.174 442 A C 0.086 177.724 177.584 0.090 0.000 1.510 442 A CA -0.385 51.634 52.037 -0.029 0.000 1.542 442 A CB -0.328 18.512 19.000 -0.267 0.000 1.611 442 A HN 0.708 nan 8.150 nan 0.000 0.626 443 H N 0.793 119.833 119.070 -0.050 0.000 3.089 443 H HA 0.367 4.924 4.556 0.001 0.000 0.262 443 H C -0.162 175.024 175.328 -0.238 0.000 1.160 443 H CA 0.983 57.005 56.048 -0.043 0.000 1.482 443 H CB -1.050 28.687 29.762 -0.042 0.000 1.511 443 H HN 0.825 nan 8.280 nan 0.000 0.483 444 H N 1.772 120.855 119.070 0.023 0.000 2.591 444 H HA -0.226 4.331 4.556 0.001 0.000 0.325 444 H C 0.495 175.890 175.328 0.112 0.000 1.096 444 H CA 0.615 56.682 56.048 0.032 0.000 1.108 444 H CB -1.799 27.939 29.762 -0.041 0.000 1.590 444 H HN 0.561 nan 8.280 nan 0.000 0.399 445 L N 1.050 122.374 121.223 0.169 0.000 2.083 445 L HA -0.136 4.204 4.340 0.001 0.000 0.209 445 L C 2.170 179.059 176.870 0.032 0.000 1.083 445 L CA 2.296 57.194 54.840 0.097 0.000 0.752 445 L CB -0.544 41.591 42.059 0.126 0.000 0.899 445 L HN 0.780 nan 8.230 nan 0.000 0.433 446 D N -0.378 120.023 120.400 0.002 0.000 2.158 446 D HA -0.298 4.342 4.640 0.001 0.000 0.197 446 D C 2.083 178.279 176.300 -0.173 0.000 0.995 446 D CA 1.882 55.792 54.000 -0.149 0.000 0.846 446 D CB -0.835 39.858 40.800 -0.178 0.000 0.941 446 D HN 0.468 nan 8.370 nan 0.000 0.456 447 L N -0.433 120.832 121.223 0.071 0.000 2.291 447 L HA -0.001 4.340 4.340 0.001 0.000 0.214 447 L C 1.636 178.636 176.870 0.216 0.000 1.120 447 L CA 0.347 55.324 54.840 0.228 0.000 0.799 447 L CB -0.241 41.957 42.059 0.231 0.000 0.925 447 L HN -0.106 nan 8.230 nan 0.000 0.446 448 R N 0.370 120.936 120.500 0.109 0.000 2.774 448 R HA 0.350 4.691 4.340 0.001 0.000 0.269 448 R C 0.314 176.675 176.300 0.102 0.000 1.068 448 R CA -0.148 55.988 56.100 0.059 0.000 1.180 448 R CB 0.396 30.681 30.300 -0.025 0.000 1.077 448 R HN 0.054 nan 8.270 nan 0.000 0.513 449 A N 1.411 124.271 122.820 0.067 0.000 2.425 449 A HA 0.128 4.449 4.320 0.001 0.000 0.242 449 A C 0.097 177.705 177.584 0.040 0.000 1.077 449 A CA -0.166 51.908 52.037 0.061 0.000 0.781 449 A CB 0.389 19.395 19.000 0.011 0.000 1.020 449 A HN 0.674 nan 8.150 nan 0.000 0.494 450 S N 1.083 116.809 115.700 0.044 0.000 2.558 450 S HA 0.162 4.633 4.470 0.001 0.000 0.287 450 S C 0.022 174.611 174.600 -0.019 0.000 1.321 450 S CA 0.350 58.565 58.200 0.024 0.000 1.048 450 S CB -0.155 63.054 63.200 0.015 0.000 0.844 450 S HN 0.746 nan 8.310 nan 0.000 0.512 451 H N 2.772 121.764 119.070 -0.130 0.000 2.894 451 H HA 0.259 4.815 4.556 0.001 0.000 0.367 451 H C -2.136 173.134 175.328 -0.096 0.000 1.144 451 H CA -1.731 54.187 56.048 -0.216 0.000 1.180 451 H CB 2.225 31.685 29.762 -0.503 0.000 1.758 451 H HN 0.356 nan 8.280 nan 0.000 0.541 452 P HA -0.101 nan 4.420 nan 0.000 0.220 452 P C 0.596 177.973 177.300 0.128 0.000 1.148 452 P CA 0.940 64.025 63.100 -0.025 0.000 0.803 452 P CB 0.528 32.170 31.700 -0.098 0.000 0.782 453 E N 0.096 120.517 120.200 0.368 0.000 2.512 453 E HA 0.018 4.368 4.350 0.001 0.000 0.195 453 E C 0.053 176.803 176.600 0.251 0.000 1.083 453 E CA 0.304 56.897 56.400 0.320 0.000 0.873 453 E CB -0.577 29.341 29.700 0.364 0.000 0.897 453 E HN 0.368 nan 8.360 nan 0.000 0.514 454 D N 2.642 123.180 120.400 0.231 0.000 2.414 454 D HA 0.083 4.724 4.640 0.001 0.000 0.242 454 D C -1.946 174.414 176.300 0.099 0.000 1.129 454 D CA -1.217 52.887 54.000 0.173 0.000 0.885 454 D CB 0.681 41.565 40.800 0.141 0.000 1.198 454 D HN 0.004 nan 8.370 nan 0.000 0.437 455 P HA 0.108 nan 4.420 nan 0.000 0.275 455 P C 0.102 177.419 177.300 0.028 0.000 1.228 455 P CA -0.400 62.724 63.100 0.040 0.000 0.786 455 P CB 0.950 32.666 31.700 0.027 0.000 0.927 456 A N 2.307 125.138 122.820 0.019 0.000 1.986 456 A HA -0.219 4.102 4.320 0.001 0.000 0.220 456 A C 2.501 180.086 177.584 0.002 0.000 1.171 456 A CA 2.347 54.390 52.037 0.010 0.000 0.640 456 A CB -1.475 17.529 19.000 0.008 0.000 0.811 456 A HN 0.620 nan 8.150 nan 0.000 0.451 457 S N -1.109 114.592 115.700 0.001 0.000 2.356 457 S HA -0.131 4.340 4.470 0.001 0.000 0.223 457 S C 1.930 176.520 174.600 -0.017 0.000 1.032 457 S CA 1.616 59.813 58.200 -0.006 0.000 1.005 457 S CB -0.505 62.693 63.200 -0.003 0.000 0.867 457 S HN 0.440 nan 8.310 nan 0.000 0.449 458 V N 1.361 121.266 119.914 -0.014 0.000 2.358 458 V HA -0.085 4.035 4.120 0.001 0.000 0.246 458 V C 2.321 178.375 176.094 -0.066 0.000 1.047 458 V CA 1.927 64.204 62.300 -0.038 0.000 1.035 458 V CB -0.393 31.420 31.823 -0.017 0.000 0.658 458 V HN 0.467 nan 8.190 nan 0.000 0.452 459 V N 0.123 120.017 119.914 -0.033 0.000 2.287 459 V HA -0.217 3.904 4.120 0.001 0.000 0.248 459 V C 2.621 178.694 176.094 -0.036 0.000 1.053 459 V CA 2.286 64.569 62.300 -0.028 0.000 1.027 459 V CB -0.748 31.073 31.823 -0.003 0.000 0.646 459 V HN 0.565 nan 8.190 nan 0.000 0.447 460 E N 0.079 120.262 120.200 -0.029 0.000 2.152 460 E HA -0.093 4.258 4.350 0.001 0.000 0.192 460 E C 2.281 178.856 176.600 -0.042 0.000 0.983 460 E CA 1.326 57.710 56.400 -0.027 0.000 0.818 460 E CB -0.455 29.235 29.700 -0.017 0.000 0.758 460 E HN 0.591 nan 8.360 nan 0.000 0.467 461 A N 1.558 124.340 122.820 -0.062 0.000 1.855 461 A HA -0.147 4.173 4.320 0.001 0.000 0.215 461 A C 2.200 179.711 177.584 -0.122 0.000 1.191 461 A CA 1.200 53.189 52.037 -0.080 0.000 0.613 461 A CB -0.409 18.541 19.000 -0.083 0.000 0.829 461 A HN 0.096 nan 8.150 nan 0.000 0.442 462 R N -0.324 120.053 120.500 -0.205 0.000 2.091 462 R HA -0.155 4.186 4.340 0.001 0.000 0.238 462 R C 2.604 178.889 176.300 -0.025 0.000 1.136 462 R CA 2.038 57.938 56.100 -0.334 0.000 0.959 462 R CB -0.485 29.509 30.300 -0.511 0.000 0.856 462 R HN 0.550 nan 8.270 nan 0.000 0.437 463 K N 1.074 121.469 120.400 -0.008 0.000 2.057 463 K HA -0.120 4.201 4.320 0.001 0.000 0.207 463 K C 1.937 178.540 176.600 0.006 0.000 1.049 463 K CA 1.626 57.929 56.287 0.027 0.000 0.931 463 K CB -0.914 31.590 32.500 0.007 0.000 0.714 463 K HN 0.115 nan 8.250 nan 0.000 0.440 464 L N 1.260 122.466 121.223 -0.027 0.000 2.056 464 L HA -0.040 4.300 4.340 0.001 0.000 0.207 464 L C 2.301 179.120 176.870 -0.086 0.000 1.078 464 L CA 2.095 56.903 54.840 -0.054 0.000 0.749 464 L CB -0.314 41.712 42.059 -0.055 0.000 0.901 464 L HN 0.570 nan 8.230 nan 0.000 0.433 465 E N -0.428 119.738 120.200 -0.057 0.000 2.077 465 E HA -0.203 4.148 4.350 0.001 0.000 0.193 465 E C 2.201 178.774 176.600 -0.046 0.000 0.989 465 E CA 1.155 57.516 56.400 -0.065 0.000 0.800 465 E CB -0.336 29.395 29.700 0.051 0.000 0.746 465 E HN 0.640 nan 8.360 nan 0.000 0.452 466 A N 0.814 123.691 122.820 0.096 0.000 1.902 466 A HA -0.191 4.129 4.320 0.001 0.000 0.217 466 A C 2.352 179.918 177.584 -0.030 0.000 1.181 466 A CA 1.963 54.050 52.037 0.084 0.000 0.623 466 A CB -0.836 18.251 19.000 0.145 0.000 0.818 466 A HN 0.200 nan 8.150 nan 0.000 0.443 467 T N 0.212 114.726 114.554 -0.067 0.000 2.737 467 T HA -0.043 4.308 4.350 0.001 0.000 0.265 467 T C 1.843 176.419 174.700 -0.207 0.000 1.038 467 T CA 1.447 63.488 62.100 -0.099 0.000 1.144 467 T CB -0.380 68.443 68.868 -0.075 0.000 0.866 467 T HN 0.408 nan 8.240 nan 0.000 0.434 468 I N 0.629 120.998 120.570 -0.334 0.000 2.142 468 I HA -0.121 4.050 4.170 0.001 0.000 0.240 468 I C 2.315 177.821 176.117 -1.018 0.000 1.078 468 I CA 1.316 62.233 61.300 -0.638 0.000 1.343 468 I CB -0.425 37.172 38.000 -0.671 0.000 1.046 468 I HN 0.155 nan 8.210 nan 0.000 0.405 469 I N 0.888 120.927 120.570 -0.885 0.000 2.194 469 I HA -0.287 3.883 4.170 0.001 0.000 0.246 469 I C 2.618 178.650 176.117 -0.140 0.000 1.093 469 I CA 1.802 62.772 61.300 -0.550 0.000 1.355 469 I CB -0.813 37.018 38.000 -0.281 0.000 1.046 469 I HN 0.311 nan 8.210 nan 0.000 0.413 470 G N 0.035 108.769 108.800 -0.110 0.000 2.418 470 G HA2 -0.314 3.647 3.960 0.001 0.000 0.217 470 G HA3 -0.314 3.647 3.960 0.001 0.000 0.217 470 G C 1.689 176.595 174.900 0.009 0.000 1.158 470 G CA 1.150 46.251 45.100 0.001 0.000 0.771 470 G HN 0.493 nan 8.290 nan 0.000 0.545 471 E N 0.124 120.282 120.200 -0.070 0.000 2.268 471 E HA -0.060 4.290 4.350 0.001 0.000 0.195 471 E C 2.022 178.705 176.600 0.138 0.000 0.995 471 E CA 1.084 57.482 56.400 -0.005 0.000 0.836 471 E CB -0.658 29.007 29.700 -0.057 0.000 0.763 471 E HN 0.620 nan 8.360 nan 0.000 0.491 472 W N -0.031 121.270 121.300 0.002 0.000 2.453 472 W HA 0.042 4.703 4.660 0.001 0.000 0.289 472 W C 2.220 178.746 176.519 0.011 0.000 1.215 472 W CA 0.816 58.155 57.345 -0.010 0.000 1.297 472 W CB -0.785 28.647 29.460 -0.047 0.000 1.113 472 W HN 0.267 nan 8.180 nan 0.000 0.551 473 V N 0.829 120.897 119.914 0.258 0.000 2.323 473 V HA -0.261 3.859 4.120 0.001 0.000 0.244 473 V C 2.302 178.473 176.094 0.128 0.000 1.041 473 V CA 1.743 64.152 62.300 0.182 0.000 1.025 473 V CB -0.938 30.996 31.823 0.186 0.000 0.656 473 V HN 0.044 nan 8.190 nan 0.000 0.451 474 K N 0.615 121.082 120.400 0.111 0.000 2.020 474 K HA -0.201 4.120 4.320 0.001 0.000 0.212 474 K C 2.350 178.996 176.600 0.077 0.000 1.050 474 K CA 1.708 58.042 56.287 0.079 0.000 0.929 474 K CB -0.549 31.988 32.500 0.062 0.000 0.714 474 K HN 0.463 nan 8.250 nan 0.000 0.443 475 A N 1.391 124.268 122.820 0.096 0.000 1.940 475 A HA -0.166 4.154 4.320 0.001 0.000 0.219 475 A C 2.334 179.957 177.584 0.065 0.000 1.176 475 A CA 1.987 54.074 52.037 0.083 0.000 0.631 475 A CB -0.646 18.419 19.000 0.108 0.000 0.814 475 A HN 0.384 nan 8.150 nan 0.000 0.446 476 A N -0.424 122.438 122.820 0.071 0.000 1.855 476 A HA 0.265 4.586 4.320 0.001 0.000 0.215 476 A C 1.955 179.567 177.584 0.046 0.000 1.191 476 A CA 1.811 53.879 52.037 0.051 0.000 0.613 476 A CB -0.878 18.154 19.000 0.054 0.000 0.829 476 A HN 0.812 nan 8.150 nan 0.000 0.442 477 R N 0.000 120.532 120.500 0.053 0.000 2.786 477 R HA 0.000 4.341 4.340 0.001 0.000 0.208 477 R CA 0.000 56.127 56.100 0.044 0.000 0.921 477 R CB 0.000 30.329 30.300 0.048 0.000 0.687 477 R HN 0.000 nan 8.270 nan 0.000 0.535