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 3gw9_1_B DATA FIRST_RESID 29 DATA SEQUENCE GKLPPVYPVT VPILGHIIQF GKSPLGFMQE CKRQLKSGIF TINIVGKRVT DATA SEQUENCE IVGDPHEHSR FFLPRNEVLS PREVYSFMVP VFGEGVAYAA PYPRMREQLN DATA SEQUENCE FLAEELTIAK FQNFVPAIQH EVRKFMAANW DKDEGEINLL EDCSTMIINT DATA SEQUENCE ACQCLFGEDL RKRLDARRFA QLLAKMESSL IPAAVFLPIL LKLPLPQSAR DATA SEQUENCE CHEARTELQK ILSEIIIARK EEEVNKDSST SDLLSGLLSA VYRDGTPMSL DATA SEQUENCE HEVCGMIVAA MFAGQHTSSI TTTWSMLHLM HPANVKHLEA LRKEIEEFPA DATA SEQUENCE QLNYNNVMDE MPFAERCARE SIRRDPPLLM LMRKVMADVK VGSYVVPKGD DATA SEQUENCE IIACSPLLSH HDEEAFPEPR RWDPERDEKV EGAFIGFGAG VHKCIGQKFG DATA SEQUENCE LLQVKTILAT AFRSYDFQLL RDEVPDPDYH TMVVGPTASQ CRVKYIRRK 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.987 3.960 0.044 0.000 0.244 29 G C 0.000 174.941 174.900 0.068 0.000 0.946 29 G CA 0.000 45.128 45.100 0.047 0.000 0.502 30 K N 1.227 121.680 120.400 0.088 0.000 2.316 30 K HA 0.453 4.800 4.320 0.044 0.000 0.289 30 K C 0.425 177.157 176.600 0.220 0.000 1.070 30 K CA -0.389 55.982 56.287 0.140 0.000 0.928 30 K CB 0.199 32.781 32.500 0.137 0.000 1.039 30 K HN 0.376 nan 8.250 nan 0.000 0.480 31 L N 6.199 127.515 121.223 0.156 0.000 2.436 31 L HA 0.305 4.672 4.340 0.044 0.000 0.265 31 L C -1.885 175.002 176.870 0.028 0.000 1.168 31 L CA -2.307 52.594 54.840 0.102 0.000 0.815 31 L CB 0.323 42.409 42.059 0.046 0.000 1.109 31 L HN 0.546 nan 8.230 nan 0.000 0.462 32 P HA 0.069 nan 4.420 nan 0.000 0.269 32 P C -2.455 174.678 177.300 -0.278 0.000 1.217 32 P CA -0.905 61.780 63.100 -0.693 0.000 0.783 32 P CB -0.386 30.991 31.700 -0.538 0.000 0.898 33 P HA 0.003 nan 4.420 nan 0.000 0.269 33 P C -0.842 176.469 177.300 0.019 0.000 1.209 33 P CA 0.368 63.439 63.100 -0.049 0.000 0.776 33 P CB 0.352 32.045 31.700 -0.012 0.000 0.876 34 V N 4.228 124.171 119.914 0.048 0.000 2.398 34 V HA 0.134 4.281 4.120 0.044 0.000 0.286 34 V C 0.186 176.354 176.094 0.123 0.000 1.026 34 V CA -0.797 61.568 62.300 0.109 0.000 0.868 34 V CB 0.553 32.435 31.823 0.098 0.000 0.982 34 V HN 0.445 nan 8.190 nan 0.000 0.443 35 Y N 7.867 128.185 120.300 0.031 0.000 2.610 35 Y HA 0.201 4.777 4.550 0.043 0.000 0.332 35 Y C -1.907 174.065 175.900 0.119 0.000 1.201 35 Y CA -1.542 56.531 58.100 -0.045 0.000 1.465 35 Y CB 0.662 38.947 38.460 -0.292 0.000 1.283 35 Y HN 0.486 nan 8.280 nan 0.000 0.563 36 P HA -0.001 nan 4.420 nan 0.000 0.265 36 P C -1.122 176.280 177.300 0.171 0.000 1.193 36 P CA 0.091 63.115 63.100 -0.126 0.000 0.765 36 P CB 0.481 32.018 31.700 -0.272 0.000 0.823 37 V N 3.783 123.771 119.914 0.124 0.000 2.334 37 V HA 0.085 4.232 4.120 0.044 0.000 0.267 37 V C 1.457 177.558 176.094 0.011 0.000 1.040 37 V CA 0.301 62.629 62.300 0.047 0.000 0.866 37 V CB 0.226 32.023 31.823 -0.043 0.000 1.019 37 V HN 0.723 nan 8.190 nan 0.000 0.468 38 T N 1.847 116.420 114.554 0.031 0.000 2.953 38 T HA 0.029 4.405 4.350 0.044 0.000 0.247 38 T C 0.733 175.426 174.700 -0.011 0.000 1.029 38 T CA 0.741 62.851 62.100 0.016 0.000 1.144 38 T CB 0.102 68.997 68.868 0.046 0.000 0.870 38 T HN 0.578 nan 8.240 nan 0.000 0.446 39 V N 1.417 121.314 119.914 -0.028 0.000 2.288 39 V HA 0.550 4.697 4.120 0.044 0.000 0.266 39 V C -2.925 173.121 176.094 -0.079 0.000 1.048 39 V CA -2.716 59.557 62.300 -0.045 0.000 0.842 39 V CB 0.229 32.029 31.823 -0.040 0.000 1.064 39 V HN 0.078 nan 8.190 nan 0.000 0.472 40 P HA 0.515 nan 4.420 nan 0.000 0.293 40 P C 1.184 178.440 177.300 -0.074 0.000 1.298 40 P CA -0.321 62.734 63.100 -0.075 0.000 0.757 40 P CB 0.667 32.338 31.700 -0.049 0.000 1.262 41 I N -3.594 116.936 120.570 -0.067 0.000 4.046 41 I HA -0.368 3.829 4.170 0.044 0.000 0.120 41 I C 1.517 177.591 176.117 -0.073 0.000 0.455 41 I CA 1.397 62.662 61.300 -0.057 0.000 1.209 41 I CB -1.054 36.921 38.000 -0.042 0.000 1.068 41 I HN 0.285 nan 8.210 nan 0.000 0.196 42 L N -1.081 120.087 121.223 -0.090 0.000 2.189 42 L HA 0.320 4.687 4.340 0.044 0.000 0.199 42 L C 1.745 178.518 176.870 -0.161 0.000 1.074 42 L CA 0.996 55.770 54.840 -0.110 0.000 0.783 42 L CB -0.548 41.454 42.059 -0.095 0.000 0.955 42 L HN 0.697 nan 8.230 nan 0.000 0.460 43 G N 0.171 108.850 108.800 -0.201 0.000 2.552 43 G HA2 -0.311 3.675 3.960 0.044 0.000 0.267 43 G HA3 -0.311 3.675 3.960 0.044 0.000 0.267 43 G C 0.390 175.080 174.900 -0.351 0.000 1.174 43 G CA 0.250 45.127 45.100 -0.372 0.000 0.955 43 G HN 0.365 nan 8.290 nan 0.000 0.546 44 H N 0.234 119.260 119.070 -0.074 0.000 2.586 44 H HA 0.350 4.932 4.556 0.043 0.000 0.273 44 H C 2.455 177.609 175.328 -0.290 0.000 0.997 44 H CA 0.460 56.408 56.048 -0.166 0.000 1.177 44 H CB 0.292 30.081 29.762 0.045 0.000 1.471 44 H HN 0.410 nan 8.280 nan 0.000 0.538 45 I N 0.741 121.223 120.570 -0.146 0.000 2.286 45 I HA -0.246 3.950 4.170 0.044 0.000 0.248 45 I C 1.606 177.656 176.117 -0.112 0.000 1.115 45 I CA 0.840 62.035 61.300 -0.175 0.000 1.392 45 I CB 0.123 37.988 38.000 -0.225 0.000 1.065 45 I HN 0.030 nan 8.210 nan 0.000 0.418 46 I N 0.598 121.096 120.570 -0.120 0.000 2.202 46 I HA -0.274 3.922 4.170 0.044 0.000 0.242 46 I C 2.484 178.518 176.117 -0.139 0.000 1.091 46 I CA 1.567 62.811 61.300 -0.094 0.000 1.368 46 I CB -1.597 36.358 38.000 -0.074 0.000 1.058 46 I HN 0.338 nan 8.210 nan 0.000 0.410 47 Q N -0.040 119.600 119.800 -0.267 0.000 2.119 47 Q HA -0.177 4.190 4.340 0.044 0.000 0.201 47 Q C 2.177 177.890 176.000 -0.478 0.000 0.972 47 Q CA 1.454 57.015 55.803 -0.404 0.000 0.847 47 Q CB -0.497 27.861 28.738 -0.633 0.000 0.903 47 Q HN 0.450 nan 8.270 nan 0.000 0.433 48 F N 0.723 120.255 119.950 -0.696 0.000 2.102 48 F HA -0.142 4.415 4.527 0.049 0.000 0.298 48 F C 2.086 177.762 175.800 -0.207 0.000 1.105 48 F CA 1.698 59.469 58.000 -0.381 0.000 1.239 48 F CB -0.573 38.280 39.000 -0.243 0.000 0.991 48 F HN 0.118 nan 8.300 nan 0.000 0.474 49 G N 0.068 108.939 108.800 0.118 0.000 2.459 49 G HA2 -0.322 3.664 3.960 0.044 0.000 0.217 49 G HA3 -0.322 3.664 3.960 0.044 0.000 0.217 49 G C 1.720 176.589 174.900 -0.051 0.000 1.183 49 G CA 1.037 46.182 45.100 0.075 0.000 0.776 49 G HN 0.322 nan 8.290 nan 0.000 0.552 50 K N -0.569 119.790 120.400 -0.068 0.000 2.074 50 K HA -0.058 4.288 4.320 0.044 0.000 0.209 50 K C 0.674 177.206 176.600 -0.112 0.000 1.048 50 K CA 1.297 57.544 56.287 -0.066 0.000 0.926 50 K CB -0.100 32.364 32.500 -0.059 0.000 0.713 50 K HN 0.259 nan 8.250 nan 0.000 0.444 51 S N -1.006 114.573 115.700 -0.202 0.000 2.417 51 S HA 0.213 4.709 4.470 0.044 0.000 0.189 51 S C -2.520 171.820 174.600 -0.433 0.000 1.005 51 S CA -1.236 56.808 58.200 -0.260 0.000 1.116 51 S CB 0.935 64.048 63.200 -0.144 0.000 1.343 51 S HN -0.106 nan 8.310 nan 0.000 0.406 52 P HA -0.049 nan 4.420 nan 0.000 0.216 52 P C 1.598 178.461 177.300 -0.729 0.000 1.153 52 P CA 0.457 62.892 63.100 -1.108 0.000 0.848 52 P CB 0.128 31.078 31.700 -1.250 0.000 0.787 53 L N 0.116 120.966 121.223 -0.621 0.000 2.072 53 L HA 0.102 4.468 4.340 0.044 0.000 0.205 53 L C 2.416 179.105 176.870 -0.302 0.000 1.079 53 L CA 2.292 56.877 54.840 -0.425 0.000 0.752 53 L CB -1.681 40.106 42.059 -0.452 0.000 0.906 53 L HN -0.057 nan 8.230 nan 0.000 0.436 54 G N -1.080 107.563 108.800 -0.261 0.000 2.418 54 G HA2 -0.340 3.646 3.960 0.044 0.000 0.217 54 G HA3 -0.340 3.646 3.960 0.044 0.000 0.217 54 G C 1.556 176.361 174.900 -0.157 0.000 1.158 54 G CA 0.848 45.845 45.100 -0.172 0.000 0.771 54 G HN 0.455 nan 8.290 nan 0.000 0.545 55 F N 1.126 120.887 119.950 -0.316 0.000 2.134 55 F HA 0.059 4.611 4.527 0.042 0.000 0.299 55 F C 2.684 178.269 175.800 -0.358 0.000 1.097 55 F CA 1.484 59.286 58.000 -0.331 0.000 1.264 55 F CB -0.172 38.637 39.000 -0.318 0.000 1.001 55 F HN 0.062 nan 8.300 nan 0.000 0.479 56 M N -0.330 119.016 119.600 -0.422 0.000 2.175 56 M HA -0.217 4.290 4.480 0.044 0.000 0.264 56 M C 2.214 178.272 176.300 -0.404 0.000 1.063 56 M CA 1.600 56.671 55.300 -0.381 0.000 1.119 56 M CB -0.473 32.075 32.600 -0.086 0.000 1.377 56 M HN 0.242 nan 8.290 nan 0.000 0.415 57 Q N -0.269 119.348 119.800 -0.305 0.000 2.119 57 Q HA -0.222 4.145 4.340 0.044 0.000 0.201 57 Q C 1.877 177.689 176.000 -0.313 0.000 0.972 57 Q CA 1.355 57.011 55.803 -0.246 0.000 0.847 57 Q CB -0.085 28.559 28.738 -0.157 0.000 0.903 57 Q HN 0.369 nan 8.270 nan 0.000 0.433 58 E N 0.417 120.396 120.200 -0.367 0.000 2.077 58 E HA -0.175 4.202 4.350 0.044 0.000 0.193 58 E C 1.812 178.125 176.600 -0.478 0.000 0.989 58 E CA 1.471 57.667 56.400 -0.341 0.000 0.800 58 E CB -0.372 29.153 29.700 -0.292 0.000 0.746 58 E HN 0.307 nan 8.360 nan 0.000 0.452 59 C N 0.548 119.314 119.300 -0.889 0.000 2.413 59 C HA -0.096 4.391 4.460 0.044 0.000 0.277 59 C C 2.618 177.059 174.990 -0.915 0.000 1.228 59 C CA 1.304 59.661 59.018 -1.102 0.000 1.731 59 C CB -0.904 25.800 27.740 -1.726 0.000 2.042 59 C HN 0.549 nan 8.230 nan 0.000 0.468 60 K N 0.310 120.150 120.400 -0.933 0.000 2.063 60 K HA -0.169 4.178 4.320 0.044 0.000 0.208 60 K C 2.370 178.819 176.600 -0.252 0.000 1.048 60 K CA 1.443 57.424 56.287 -0.511 0.000 0.928 60 K CB -0.198 32.155 32.500 -0.244 0.000 0.713 60 K HN 0.403 nan 8.250 nan 0.000 0.442 61 R N -0.054 120.313 120.500 -0.221 0.000 2.062 61 R HA -0.121 4.246 4.340 0.044 0.000 0.229 61 R C 2.471 178.717 176.300 -0.090 0.000 1.128 61 R CA 1.669 57.698 56.100 -0.119 0.000 0.960 61 R CB -0.144 30.096 30.300 -0.099 0.000 0.855 61 R HN 0.193 nan 8.270 nan 0.000 0.432 62 Q N 0.550 120.293 119.800 -0.094 0.000 2.124 62 Q HA -0.049 4.317 4.340 0.044 0.000 0.202 62 Q C 1.554 177.529 176.000 -0.042 0.000 0.977 62 Q CA 1.347 57.129 55.803 -0.034 0.000 0.850 62 Q CB 0.138 28.915 28.738 0.065 0.000 0.901 62 Q HN 0.314 nan 8.270 nan 0.000 0.429 63 L N -0.318 120.861 121.223 -0.074 0.000 2.607 63 L HA 0.184 4.551 4.340 0.044 0.000 0.228 63 L C -0.007 176.857 176.870 -0.010 0.000 1.123 63 L CA 0.005 54.817 54.840 -0.046 0.000 0.890 63 L CB 0.085 42.103 42.059 -0.067 0.000 1.103 63 L HN 0.115 nan 8.230 nan 0.000 0.468 64 K N 0.549 120.937 120.400 -0.019 0.000 3.077 64 K HA -0.188 4.159 4.320 0.044 0.000 0.264 64 K C -0.013 176.623 176.600 0.061 0.000 1.008 64 K CA 0.551 56.847 56.287 0.015 0.000 0.740 64 K CB -1.397 31.118 32.500 0.025 0.000 1.273 64 K HN 0.266 nan 8.250 nan 0.000 0.477 65 S N -1.991 113.747 115.700 0.063 0.000 2.563 65 S HA 0.495 4.992 4.470 0.044 0.000 0.279 65 S C 0.863 175.576 174.600 0.187 0.000 1.155 65 S CA -0.170 58.118 58.200 0.148 0.000 0.928 65 S CB 1.714 65.027 63.200 0.188 0.000 1.107 65 S HN 0.311 nan 8.310 nan 0.000 0.462 66 G N 2.766 111.693 108.800 0.211 0.000 2.572 66 G HA2 0.185 4.172 3.960 0.044 0.000 0.216 66 G HA3 0.185 4.172 3.960 0.044 0.000 0.216 66 G C 0.255 175.324 174.900 0.282 0.000 1.133 66 G CA 0.360 45.611 45.100 0.253 0.000 0.791 66 G HN 0.646 nan 8.290 nan 0.000 0.538 67 I N 1.370 122.077 120.570 0.228 0.000 2.330 67 I HA 0.494 4.691 4.170 0.044 0.000 0.289 67 I C -0.674 175.433 176.117 -0.016 0.000 1.001 67 I CA -0.930 60.399 61.300 0.048 0.000 1.193 67 I CB 0.970 39.039 38.000 0.115 0.000 1.345 67 I HN 0.146 nan 8.210 nan 0.000 0.461 68 F N 2.384 122.246 119.950 -0.145 0.000 2.711 68 F HA 0.749 5.306 4.527 0.051 0.000 0.313 68 F C -0.960 174.774 175.800 -0.110 0.000 1.141 68 F CA -0.846 57.057 58.000 -0.163 0.000 0.941 68 F CB 1.411 40.334 39.000 -0.128 0.000 1.349 68 F HN 0.050 nan 8.300 nan 0.000 0.464 69 T N 3.182 117.803 114.554 0.111 0.000 2.824 69 T HA 0.691 5.067 4.350 0.044 0.000 0.282 69 T C -0.258 174.560 174.700 0.197 0.000 0.993 69 T CA -0.525 61.606 62.100 0.051 0.000 0.967 69 T CB 1.319 70.204 68.868 0.028 0.000 0.960 69 T HN 0.790 nan 8.240 nan 0.000 0.441 70 I N 0.461 121.135 120.570 0.174 0.000 3.100 70 I HA 0.722 4.918 4.170 0.044 0.000 0.312 70 I C -0.459 175.831 176.117 0.289 0.000 1.063 70 I CA -1.051 60.432 61.300 0.305 0.000 1.031 70 I CB 1.814 40.005 38.000 0.319 0.000 1.243 70 I HN 0.373 nan 8.210 nan 0.000 0.483 71 N N 3.264 122.234 118.700 0.451 0.000 2.483 71 N HA 0.362 5.129 4.740 0.044 0.000 0.267 71 N C -1.595 173.894 175.510 -0.034 0.000 0.998 71 N CA -0.431 52.695 53.050 0.127 0.000 0.918 71 N CB 1.549 40.056 38.487 0.032 0.000 1.215 71 N HN 0.532 nan 8.380 nan 0.000 0.500 72 I N 4.478 124.954 120.570 -0.157 0.000 2.371 72 I HA 0.174 4.371 4.170 0.044 0.000 0.282 72 I C 0.821 176.765 176.117 -0.289 0.000 1.031 72 I CA -0.535 60.533 61.300 -0.387 0.000 1.180 72 I CB 0.689 38.125 38.000 -0.940 0.000 1.336 72 I HN 0.337 nan 8.210 nan 0.000 0.467 73 V N 5.552 125.344 119.914 -0.204 0.000 5.117 73 V HA -0.273 3.873 4.120 0.044 0.000 0.285 73 V C 1.411 177.472 176.094 -0.055 0.000 0.490 73 V CA 1.078 63.311 62.300 -0.112 0.000 0.728 73 V CB -2.412 29.363 31.823 -0.080 0.000 0.597 73 V HN 1.236 nan 8.190 nan 0.000 1.265 74 G N -1.743 107.020 108.800 -0.061 0.000 2.195 74 G HA2 -0.235 3.752 3.960 0.044 0.000 0.246 74 G HA3 -0.235 3.752 3.960 0.044 0.000 0.246 74 G C 0.035 174.937 174.900 0.004 0.000 0.984 74 G CA 0.277 45.362 45.100 -0.025 0.000 0.633 74 G HN 0.655 nan 8.290 nan 0.000 0.525 75 K N 0.909 121.319 120.400 0.016 0.000 2.206 75 K HA 0.453 4.800 4.320 0.044 0.000 0.264 75 K C 0.461 177.095 176.600 0.057 0.000 0.967 75 K CA -0.774 55.553 56.287 0.066 0.000 0.844 75 K CB 1.366 33.968 32.500 0.170 0.000 1.099 75 K HN 0.309 nan 8.250 nan 0.000 0.441 76 R N 1.313 121.848 120.500 0.058 0.000 2.370 76 R HA 0.170 4.537 4.340 0.044 0.000 0.309 76 R C -0.249 176.086 176.300 0.059 0.000 1.059 76 R CA -0.177 55.956 56.100 0.054 0.000 0.981 76 R CB 0.386 30.712 30.300 0.043 0.000 0.972 76 R HN 0.185 nan 8.270 nan 0.000 0.437 77 V N 3.606 123.547 119.914 0.046 0.000 2.350 77 V HA 0.159 4.305 4.120 0.044 0.000 0.285 77 V C 0.024 176.092 176.094 -0.043 0.000 1.014 77 V CA -0.614 61.701 62.300 0.024 0.000 0.831 77 V CB 1.763 33.594 31.823 0.014 0.000 1.000 77 V HN 0.732 nan 8.190 nan 0.000 0.433 78 T N 6.820 121.334 114.554 -0.067 0.000 2.733 78 T HA 0.562 4.938 4.350 0.044 0.000 0.294 78 T C 0.002 174.564 174.700 -0.230 0.000 0.956 78 T CA 0.017 62.028 62.100 -0.147 0.000 0.987 78 T CB 0.377 69.192 68.868 -0.088 0.000 0.920 78 T HN 0.375 nan 8.240 nan 0.000 0.470 79 I N 3.415 123.707 120.570 -0.463 0.000 2.331 79 I HA 0.251 4.447 4.170 0.044 0.000 0.292 79 I C 0.090 175.939 176.117 -0.447 0.000 0.998 79 I CA -0.865 60.117 61.300 -0.529 0.000 1.267 79 I CB 1.537 39.053 38.000 -0.807 0.000 1.386 79 I HN 0.275 nan 8.210 nan 0.000 0.476 80 V N 6.457 126.213 119.914 -0.263 0.000 2.267 80 V HA 0.171 4.318 4.120 0.044 0.000 0.254 80 V C 1.196 177.261 176.094 -0.047 0.000 1.144 80 V CA -0.027 62.207 62.300 -0.111 0.000 0.992 80 V CB 0.390 32.189 31.823 -0.040 0.000 1.199 80 V HN 1.029 nan 8.190 nan 0.000 0.493 81 G N 2.274 111.060 108.800 -0.024 0.000 3.337 81 G HA2 0.061 4.048 3.960 0.044 0.000 0.246 81 G HA3 0.061 4.048 3.960 0.044 0.000 0.246 81 G C 0.159 175.136 174.900 0.129 0.000 1.131 81 G CA -0.107 45.046 45.100 0.088 0.000 0.773 81 G HN 0.592 nan 8.290 nan 0.000 0.544 82 D N 0.334 120.797 120.400 0.106 0.000 2.349 82 D HA 0.336 5.003 4.640 0.044 0.000 0.232 82 D C -1.691 174.565 176.300 -0.074 0.000 1.071 82 D CA -2.361 51.683 54.000 0.074 0.000 0.832 82 D CB 2.437 43.313 40.800 0.127 0.000 1.086 82 D HN -0.098 nan 8.370 nan 0.000 0.504 83 P HA -0.098 nan 4.420 nan 0.000 0.225 83 P C 0.970 177.901 177.300 -0.614 0.000 1.148 83 P CA 0.832 63.436 63.100 -0.827 0.000 0.779 83 P CB 0.127 31.490 31.700 -0.562 0.000 0.780 84 H N -0.368 118.592 119.070 -0.182 0.000 2.491 84 H HA 0.019 4.602 4.556 0.044 0.000 0.290 84 H C 1.044 176.363 175.328 -0.014 0.000 1.050 84 H CA 0.991 56.993 56.048 -0.077 0.000 1.309 84 H CB 0.060 29.800 29.762 -0.036 0.000 1.392 84 H HN 0.255 nan 8.280 nan 0.000 0.554 85 E N -0.185 120.076 120.200 0.100 0.000 2.501 85 E HA 0.024 4.401 4.350 0.044 0.000 0.200 85 E C 1.259 178.005 176.600 0.243 0.000 1.016 85 E CA -0.128 56.363 56.400 0.152 0.000 0.921 85 E CB -0.026 29.761 29.700 0.145 0.000 1.034 85 E HN 0.670 nan 8.360 nan 0.000 0.468 86 H N 1.022 120.210 119.070 0.196 0.000 2.357 86 H HA -0.169 4.414 4.556 0.044 0.000 0.296 86 H C 2.413 177.988 175.328 0.412 0.000 1.108 86 H CA 1.678 57.922 56.048 0.327 0.000 1.273 86 H CB 0.266 30.266 29.762 0.396 0.000 1.367 86 H HN 0.174 nan 8.280 nan 0.000 0.498 87 S N 0.945 116.903 115.700 0.430 0.000 2.402 87 S HA -0.181 4.316 4.470 0.044 0.000 0.233 87 S C 1.983 176.730 174.600 0.245 0.000 1.030 87 S CA 0.917 59.312 58.200 0.325 0.000 1.003 87 S CB -0.090 63.235 63.200 0.207 0.000 0.813 87 S HN 0.318 nan 8.310 nan 0.000 0.477 88 R N -0.108 120.515 120.500 0.205 0.000 2.189 88 R HA 0.185 4.552 4.340 0.044 0.000 0.218 88 R C 1.791 178.152 176.300 0.101 0.000 1.074 88 R CA 0.804 56.983 56.100 0.131 0.000 0.991 88 R CB -1.091 29.281 30.300 0.120 0.000 0.883 88 R HN 0.636 nan 8.270 nan 0.000 0.457 89 F N -0.120 119.786 119.950 -0.073 0.000 2.179 89 F HA 0.016 4.576 4.527 0.055 0.000 0.292 89 F C 1.626 177.253 175.800 -0.289 0.000 1.089 89 F CA 1.058 58.888 58.000 -0.284 0.000 1.295 89 F CB -0.160 38.476 39.000 -0.606 0.000 1.041 89 F HN -0.183 nan 8.300 nan 0.000 0.487 90 F N -0.129 119.918 119.950 0.163 0.000 2.512 90 F HA 0.055 4.613 4.527 0.052 0.000 0.296 90 F C 1.812 177.608 175.800 -0.006 0.000 1.110 90 F CA 0.614 58.661 58.000 0.078 0.000 1.446 90 F CB -0.132 38.981 39.000 0.189 0.000 1.092 90 F HN -0.075 nan 8.300 nan 0.000 0.554 91 L N -1.063 120.248 121.223 0.146 0.000 2.408 91 L HA 0.164 4.531 4.340 0.044 0.000 0.215 91 L C -1.619 175.250 176.870 -0.002 0.000 1.081 91 L CA -0.401 54.486 54.840 0.078 0.000 0.840 91 L CB -1.338 40.777 42.059 0.093 0.000 1.002 91 L HN -0.123 nan 8.230 nan 0.000 0.468 92 P HA 0.008 nan 4.420 nan 0.000 0.268 92 P C -0.402 176.841 177.300 -0.095 0.000 1.205 92 P CA -0.113 62.948 63.100 -0.064 0.000 0.771 92 P CB 0.361 32.011 31.700 -0.083 0.000 0.858 93 R N 2.533 122.978 120.500 -0.091 0.000 2.811 93 R HA 0.084 4.451 4.340 0.044 0.000 0.265 93 R C 0.797 176.985 176.300 -0.187 0.000 1.026 93 R CA -0.185 55.839 56.100 -0.126 0.000 1.142 93 R CB 0.002 30.240 30.300 -0.103 0.000 1.027 93 R HN 0.335 nan 8.270 nan 0.000 0.465 94 N N 1.345 119.872 118.700 -0.289 0.000 2.137 94 N HA -0.193 4.574 4.740 0.044 0.000 0.190 94 N C 1.022 176.225 175.510 -0.510 0.000 1.017 94 N CA 1.808 54.547 53.050 -0.519 0.000 0.859 94 N CB -0.144 37.682 38.487 -1.102 0.000 1.002 94 N HN 0.601 nan 8.380 nan 0.000 0.428 95 E N -0.124 119.867 120.200 -0.348 0.000 2.338 95 E HA -0.033 4.343 4.350 0.044 0.000 0.197 95 E C 1.864 178.424 176.600 -0.067 0.000 1.007 95 E CA 0.261 56.592 56.400 -0.115 0.000 0.849 95 E CB 0.138 29.826 29.700 -0.021 0.000 0.774 95 E HN 0.155 nan 8.360 nan 0.000 0.506 96 V N -0.311 119.544 119.914 -0.099 0.000 2.521 96 V HA 0.088 4.235 4.120 0.044 0.000 0.239 96 V C 0.739 176.782 176.094 -0.085 0.000 1.053 96 V CA 0.592 62.851 62.300 -0.069 0.000 1.073 96 V CB 0.126 31.913 31.823 -0.060 0.000 0.746 96 V HN 0.112 nan 8.190 nan 0.000 0.476 97 L N 1.100 122.243 121.223 -0.134 0.000 2.324 97 L HA 0.484 4.851 4.340 0.044 0.000 0.274 97 L C -0.356 176.407 176.870 -0.178 0.000 1.012 97 L CA 0.109 54.850 54.840 -0.165 0.000 0.859 97 L CB 1.589 43.495 42.059 -0.255 0.000 1.224 97 L HN 0.133 nan 8.230 nan 0.000 0.429 98 S N 4.416 120.044 115.700 -0.121 0.000 2.462 98 S HA 0.509 5.006 4.470 0.044 0.000 0.294 98 S C -1.651 172.898 174.600 -0.085 0.000 1.144 98 S CA -1.347 56.808 58.200 -0.076 0.000 1.088 98 S CB 1.377 64.612 63.200 0.058 0.000 1.009 98 S HN 0.425 nan 8.310 nan 0.000 0.484 99 P HA 0.100 nan 4.420 nan 0.000 0.251 99 P C 1.144 178.409 177.300 -0.058 0.000 1.223 99 P CA -0.070 62.886 63.100 -0.240 0.000 0.796 99 P CB 0.161 31.402 31.700 -0.766 0.000 1.068 100 R N 1.543 122.107 120.500 0.106 0.000 2.080 100 R HA -0.177 4.190 4.340 0.044 0.000 0.236 100 R C 1.803 178.191 176.300 0.146 0.000 1.137 100 R CA 2.016 58.232 56.100 0.195 0.000 0.943 100 R CB -0.340 30.083 30.300 0.205 0.000 0.846 100 R HN 0.028 nan 8.270 nan 0.000 0.431 101 E N -0.226 120.025 120.200 0.086 0.000 2.106 101 E HA -0.110 4.267 4.350 0.044 0.000 0.192 101 E C 1.930 178.544 176.600 0.023 0.000 0.984 101 E CA 1.171 57.600 56.400 0.049 0.000 0.806 101 E CB -0.008 29.704 29.700 0.019 0.000 0.750 101 E HN 0.125 nan 8.360 nan 0.000 0.458 102 V N 0.095 120.002 119.914 -0.012 0.000 2.469 102 V HA -0.248 3.899 4.120 0.044 0.000 0.251 102 V C 1.248 177.307 176.094 -0.057 0.000 1.064 102 V CA 1.618 63.861 62.300 -0.095 0.000 1.066 102 V CB -0.429 31.306 31.823 -0.147 0.000 0.667 102 V HN 0.351 nan 8.190 nan 0.000 0.461 103 Y N -0.469 119.853 120.300 0.038 0.000 2.457 103 Y HA 0.083 4.653 4.550 0.034 0.000 0.263 103 Y C 2.422 178.303 175.900 -0.033 0.000 1.164 103 Y CA 0.282 58.397 58.100 0.024 0.000 1.274 103 Y CB 0.094 38.649 38.460 0.159 0.000 1.097 103 Y HN 0.143 nan 8.280 nan 0.000 0.523 104 S N 0.547 116.333 115.700 0.143 0.000 2.387 104 S HA -0.266 4.230 4.470 0.044 0.000 0.230 104 S C 1.790 176.417 174.600 0.045 0.000 1.035 104 S CA 2.001 60.256 58.200 0.093 0.000 1.014 104 S CB -0.715 62.536 63.200 0.085 0.000 0.836 104 S HN 0.752 nan 8.310 nan 0.000 0.466 105 F N 0.812 120.725 119.950 -0.062 0.000 2.451 105 F HA 0.165 4.714 4.527 0.037 0.000 0.299 105 F C 1.706 177.430 175.800 -0.125 0.000 1.101 105 F CA 0.657 58.605 58.000 -0.087 0.000 1.436 105 F CB -0.651 38.285 39.000 -0.107 0.000 1.074 105 F HN 0.075 nan 8.300 nan 0.000 0.553 106 M N 0.281 119.337 119.600 -0.907 0.000 2.494 106 M HA 0.069 4.575 4.480 0.044 0.000 0.232 106 M C 1.599 177.528 176.300 -0.618 0.000 1.137 106 M CA -0.063 54.680 55.300 -0.928 0.000 1.012 106 M CB 0.124 31.942 32.600 -1.305 0.000 1.567 106 M HN 0.126 nan 8.290 nan 0.000 0.486 107 V N 1.498 121.255 119.914 -0.262 0.000 2.332 107 V HA -0.172 3.974 4.120 0.044 0.000 0.248 107 V C -0.548 175.499 176.094 -0.078 0.000 1.055 107 V CA 1.981 64.225 62.300 -0.094 0.000 1.038 107 V CB -1.736 30.090 31.823 0.005 0.000 0.651 107 V HN 0.312 nan 8.190 nan 0.000 0.450 108 P HA -0.088 nan 4.420 nan 0.000 0.219 108 P C 1.795 179.067 177.300 -0.047 0.000 1.146 108 P CA 1.141 64.228 63.100 -0.022 0.000 0.808 108 P CB 0.016 31.712 31.700 -0.007 0.000 0.779 109 V N -1.570 118.228 119.914 -0.192 0.000 2.331 109 V HA -0.118 4.029 4.120 0.044 0.000 0.242 109 V C 2.113 178.191 176.094 -0.026 0.000 1.034 109 V CA 1.529 63.721 62.300 -0.180 0.000 1.027 109 V CB -1.173 30.371 31.823 -0.464 0.000 0.667 109 V HN 0.038 nan 8.190 nan 0.000 0.457 110 F N 0.644 120.527 119.950 -0.111 0.000 2.259 110 F HA 0.364 4.915 4.527 0.039 0.000 0.298 110 F C 1.396 177.124 175.800 -0.121 0.000 1.088 110 F CA 0.604 58.534 58.000 -0.117 0.000 1.358 110 F CB -0.072 38.847 39.000 -0.134 0.000 1.040 110 F HN 0.397 nan 8.300 nan 0.000 0.505 111 G N 1.042 109.911 108.800 0.115 0.000 2.650 111 G HA2 -0.135 3.852 3.960 0.044 0.000 0.686 111 G HA3 -0.135 3.852 3.960 0.044 0.000 0.686 111 G C -0.911 174.125 174.900 0.227 0.000 1.205 111 G CA -1.252 43.940 45.100 0.154 0.000 0.781 111 G HN -0.022 nan 8.290 nan 0.000 0.648 112 E N 0.187 120.560 120.200 0.289 0.000 2.442 112 E HA 0.390 4.766 4.350 0.044 0.000 0.262 112 E C 1.503 178.239 176.600 0.227 0.000 1.004 112 E CA 1.277 57.790 56.400 0.189 0.000 0.928 112 E CB 0.704 30.463 29.700 0.098 0.000 0.937 112 E HN 2.246 nan 8.360 nan 0.000 0.446 113 G N 1.605 110.479 108.800 0.123 0.000 2.187 113 G HA2 -0.273 3.713 3.960 0.044 0.000 0.261 113 G HA3 -0.273 3.713 3.960 0.044 0.000 0.261 113 G C 0.164 175.118 174.900 0.090 0.000 1.000 113 G CA 0.543 45.696 45.100 0.088 0.000 0.718 113 G HN 0.312 nan 8.290 nan 0.000 0.519 114 V N -0.516 119.452 119.914 0.090 0.000 2.581 114 V HA 0.824 4.971 4.120 0.044 0.000 0.303 114 V C 1.351 177.419 176.094 -0.042 0.000 1.041 114 V CA 0.193 62.504 62.300 0.019 0.000 0.907 114 V CB 0.855 32.666 31.823 -0.020 0.000 0.994 114 V HN 2.112 nan 8.190 nan 0.000 0.442 115 A N 3.645 126.371 122.820 -0.158 0.000 5.391 115 A HA -0.320 4.027 4.320 0.044 0.000 0.315 115 A C 1.095 178.537 177.584 -0.237 0.000 1.874 115 A CA 2.202 54.023 52.037 -0.361 0.000 0.714 115 A CB -1.951 16.627 19.000 -0.703 0.000 1.335 115 A HN 1.000 nan 8.150 nan 0.000 0.382 116 Y N 0.013 120.301 120.300 -0.019 0.000 2.403 116 Y HA 0.089 4.669 4.550 0.051 0.000 0.291 116 Y C 2.784 178.716 175.900 0.054 0.000 1.143 116 Y CA 1.303 59.426 58.100 0.038 0.000 1.257 116 Y CB -0.394 38.077 38.460 0.019 0.000 0.984 116 Y HN 0.723 nan 8.280 nan 0.000 0.550 117 A N 0.480 123.394 122.820 0.156 0.000 2.119 117 A HA 0.250 4.597 4.320 0.044 0.000 0.217 117 A C 1.505 179.098 177.584 0.015 0.000 1.153 117 A CA 0.577 52.668 52.037 0.091 0.000 0.692 117 A CB -0.725 18.336 19.000 0.102 0.000 0.799 117 A HN 0.255 nan 8.150 nan 0.000 0.458 118 A N 0.440 123.258 122.820 -0.003 0.000 2.322 118 A HA 0.570 4.917 4.320 0.044 0.000 0.269 118 A C -2.408 175.098 177.584 -0.130 0.000 1.094 118 A CA -1.522 50.486 52.037 -0.049 0.000 0.807 118 A CB -0.246 18.731 19.000 -0.038 0.000 1.047 118 A HN 0.197 nan 8.150 nan 0.000 0.487 119 P HA 0.011 nan 4.420 nan 0.000 0.266 119 P C -0.064 177.133 177.300 -0.172 0.000 1.193 119 P CA 0.439 63.386 63.100 -0.255 0.000 0.770 119 P CB 0.084 31.694 31.700 -0.151 0.000 0.836 120 Y N 2.409 122.724 120.300 0.025 0.000 2.224 120 Y HA -0.172 4.376 4.550 -0.003 0.000 0.289 120 Y C -0.402 175.506 175.900 0.013 0.000 1.146 120 Y CA 1.304 59.428 58.100 0.040 0.000 1.182 120 Y CB -2.233 36.256 38.460 0.048 0.000 0.983 120 Y HN 0.468 nan 8.280 nan 0.000 0.524 121 P HA -0.183 nan 4.420 nan 0.000 0.215 121 P C 1.370 178.678 177.300 0.013 0.000 1.153 121 P CA 1.599 64.732 63.100 0.055 0.000 0.853 121 P CB 0.064 31.780 31.700 0.026 0.000 0.788 122 R N -0.218 120.265 120.500 -0.028 0.000 2.093 122 R HA 0.043 4.410 4.340 0.044 0.000 0.224 122 R C 2.218 178.512 176.300 -0.011 0.000 1.101 122 R CA 1.275 57.323 56.100 -0.086 0.000 0.979 122 R CB -1.645 28.544 30.300 -0.185 0.000 0.877 122 R HN 0.107 nan 8.270 nan 0.000 0.441 123 M N -0.126 119.483 119.600 0.015 0.000 2.073 123 M HA -0.238 4.269 4.480 0.044 0.000 0.258 123 M C 2.075 178.392 176.300 0.028 0.000 1.070 123 M CA 2.172 57.489 55.300 0.030 0.000 1.103 123 M CB -0.192 32.476 32.600 0.114 0.000 1.321 123 M HN 0.099 nan 8.290 nan 0.000 0.405 124 R N 0.508 121.035 120.500 0.045 0.000 2.081 124 R HA -0.123 4.243 4.340 0.044 0.000 0.235 124 R C 1.846 178.120 176.300 -0.043 0.000 1.131 124 R CA 2.239 58.340 56.100 0.002 0.000 0.960 124 R CB -0.438 29.860 30.300 -0.003 0.000 0.856 124 R HN 0.584 nan 8.270 nan 0.000 0.436 125 E N -0.191 120.000 120.200 -0.016 0.000 2.051 125 E HA -0.246 4.131 4.350 0.044 0.000 0.192 125 E C 2.133 178.733 176.600 0.000 0.000 0.991 125 E CA 1.480 57.843 56.400 -0.063 0.000 0.799 125 E CB -0.078 29.727 29.700 0.176 0.000 0.748 125 E HN 0.501 nan 8.360 nan 0.000 0.449 126 Q N 0.448 120.368 119.800 0.200 0.000 2.061 126 Q HA -0.164 4.202 4.340 0.044 0.000 0.204 126 Q C 2.417 178.470 176.000 0.088 0.000 0.984 126 Q CA 1.196 57.144 55.803 0.243 0.000 0.846 126 Q CB -0.146 28.683 28.738 0.151 0.000 0.902 126 Q HN 0.296 nan 8.270 nan 0.000 0.421 127 L N 0.679 121.892 121.223 -0.016 0.000 2.046 127 L HA -0.202 4.164 4.340 0.044 0.000 0.208 127 L C 1.997 178.837 176.870 -0.050 0.000 1.077 127 L CA 0.724 55.530 54.840 -0.056 0.000 0.747 127 L CB -0.557 41.457 42.059 -0.074 0.000 0.896 127 L HN 0.242 nan 8.230 nan 0.000 0.432 128 N N 0.165 118.799 118.700 -0.109 0.000 2.104 128 N HA -0.173 4.594 4.740 0.044 0.000 0.190 128 N C 1.816 177.240 175.510 -0.143 0.000 1.024 128 N CA 1.483 54.429 53.050 -0.174 0.000 0.853 128 N CB -0.430 37.873 38.487 -0.307 0.000 1.008 128 N HN 0.272 nan 8.380 nan 0.000 0.424 129 F N 0.372 120.304 119.950 -0.030 0.000 2.134 129 F HA -0.133 4.421 4.527 0.045 0.000 0.299 129 F C 2.175 177.945 175.800 -0.051 0.000 1.097 129 F CA 0.210 58.181 58.000 -0.049 0.000 1.264 129 F CB -0.226 38.732 39.000 -0.069 0.000 1.001 129 F HN 0.033 nan 8.300 nan 0.000 0.479 130 L N 0.718 122.015 121.223 0.123 0.000 2.017 130 L HA -0.130 4.237 4.340 0.044 0.000 0.208 130 L C 2.438 179.318 176.870 0.018 0.000 1.073 130 L CA 1.964 56.829 54.840 0.042 0.000 0.745 130 L CB -1.254 40.803 42.059 -0.002 0.000 0.894 130 L HN 0.050 nan 8.230 nan 0.000 0.432 131 A N -0.792 122.032 122.820 0.005 0.000 1.908 131 A HA -0.211 4.135 4.320 0.044 0.000 0.218 131 A C 2.091 179.668 177.584 -0.011 0.000 1.181 131 A CA 1.805 53.839 52.037 -0.005 0.000 0.627 131 A CB -0.657 18.329 19.000 -0.023 0.000 0.818 131 A HN 0.568 nan 8.150 nan 0.000 0.445 132 E N 0.010 120.209 120.200 -0.002 0.000 2.333 132 E HA -0.129 4.248 4.350 0.044 0.000 0.198 132 E C 1.343 177.938 176.600 -0.009 0.000 1.007 132 E CA 0.725 57.121 56.400 -0.006 0.000 0.845 132 E CB -0.155 29.565 29.700 0.033 0.000 0.766 132 E HN 0.612 nan 8.360 nan 0.000 0.507 133 E N -0.174 120.030 120.200 0.007 0.000 2.478 133 E HA 0.047 4.424 4.350 0.044 0.000 0.194 133 E C 1.247 177.854 176.600 0.011 0.000 1.045 133 E CA 0.183 56.584 56.400 0.003 0.000 0.868 133 E CB 0.386 30.089 29.700 0.005 0.000 0.885 133 E HN 0.280 nan 8.360 nan 0.000 0.505 134 L N 0.828 122.058 121.223 0.012 0.000 3.122 134 L HA 0.140 4.507 4.340 0.044 0.000 0.274 134 L C 0.743 177.693 176.870 0.133 0.000 1.222 134 L CA -0.180 54.720 54.840 0.100 0.000 1.028 134 L CB 0.509 42.595 42.059 0.044 0.000 1.386 134 L HN -0.068 nan 8.230 nan 0.000 0.578 135 T N -3.903 110.586 114.554 -0.109 0.000 2.881 135 T HA 0.273 4.650 4.350 0.044 0.000 0.278 135 T C 1.655 175.810 174.700 -0.909 0.000 0.982 135 T CA -0.761 61.125 62.100 -0.356 0.000 0.989 135 T CB 1.622 70.342 68.868 -0.247 0.000 1.058 135 T HN -0.163 nan 8.240 nan 0.000 0.529 136 I N 1.078 121.060 120.570 -0.981 0.000 2.147 136 I HA -0.286 3.911 4.170 0.044 0.000 0.245 136 I C 2.947 178.673 176.117 -0.652 0.000 1.059 136 I CA 1.985 62.736 61.300 -0.916 0.000 1.320 136 I CB -2.194 35.576 38.000 -0.382 0.000 1.021 136 I HN 0.911 nan 8.210 nan 0.000 0.415 137 A N 0.104 122.648 122.820 -0.460 0.000 1.978 137 A HA -0.197 4.149 4.320 0.044 0.000 0.220 137 A C 2.126 179.505 177.584 -0.342 0.000 1.170 137 A CA 1.473 53.304 52.037 -0.343 0.000 0.636 137 A CB -0.380 18.475 19.000 -0.240 0.000 0.810 137 A HN 0.336 nan 8.150 nan 0.000 0.448 138 K N -0.942 119.210 120.400 -0.413 0.000 2.418 138 K HA 0.094 4.441 4.320 0.044 0.000 0.195 138 K C 0.993 177.184 176.600 -0.683 0.000 1.035 138 K CA 0.327 56.279 56.287 -0.557 0.000 1.003 138 K CB -0.308 31.772 32.500 -0.700 0.000 0.793 138 K HN 0.507 nan 8.250 nan 0.000 0.494 139 F N 2.331 121.938 119.950 -0.572 0.000 2.558 139 F HA -0.014 4.539 4.527 0.044 0.000 0.298 139 F C 2.051 177.824 175.800 -0.045 0.000 1.119 139 F CA 0.487 58.332 58.000 -0.258 0.000 1.451 139 F CB -0.378 38.717 39.000 0.158 0.000 1.091 139 F HN 0.014 nan 8.300 nan 0.000 0.563 140 Q N 0.047 119.856 119.800 0.015 0.000 2.170 140 Q HA -0.142 4.224 4.340 0.044 0.000 0.203 140 Q C 1.566 177.617 176.000 0.085 0.000 0.976 140 Q CA 1.052 56.873 55.803 0.029 0.000 0.858 140 Q CB -0.706 27.976 28.738 -0.094 0.000 0.907 140 Q HN 0.384 nan 8.270 nan 0.000 0.433 141 N N -0.123 118.620 118.700 0.072 0.000 2.376 141 N HA -0.010 4.757 4.740 0.044 0.000 0.177 141 N C 1.428 177.138 175.510 0.333 0.000 1.024 141 N CA 0.462 53.610 53.050 0.164 0.000 0.893 141 N CB -0.111 38.470 38.487 0.158 0.000 0.980 141 N HN 0.130 nan 8.380 nan 0.000 0.439 142 F N 1.068 121.080 119.950 0.102 0.000 2.206 142 F HA 0.011 4.564 4.527 0.044 0.000 0.298 142 F C 2.340 178.153 175.800 0.021 0.000 1.090 142 F CA 0.072 58.109 58.000 0.063 0.000 1.323 142 F CB -1.023 37.999 39.000 0.038 0.000 1.028 142 F HN -0.206 nan 8.300 nan 0.000 0.492 143 V N 1.795 121.851 119.914 0.236 0.000 2.261 143 V HA -0.213 3.934 4.120 0.044 0.000 0.246 143 V C -0.162 175.987 176.094 0.092 0.000 1.047 143 V CA 2.246 64.616 62.300 0.117 0.000 1.015 143 V CB -1.866 30.019 31.823 0.104 0.000 0.642 143 V HN 0.127 nan 8.190 nan 0.000 0.446 144 P HA -0.091 nan 4.420 nan 0.000 0.219 144 P C 1.606 178.965 177.300 0.098 0.000 1.150 144 P CA 1.912 65.064 63.100 0.087 0.000 0.814 144 P CB -0.078 31.665 31.700 0.071 0.000 0.787 145 A N 0.222 123.103 122.820 0.101 0.000 1.908 145 A HA -0.173 4.174 4.320 0.044 0.000 0.218 145 A C 2.329 179.954 177.584 0.070 0.000 1.181 145 A CA 1.570 53.660 52.037 0.088 0.000 0.627 145 A CB -1.585 17.454 19.000 0.066 0.000 0.818 145 A HN 0.128 nan 8.150 nan 0.000 0.445 146 I N -1.077 119.507 120.570 0.023 0.000 2.202 146 I HA -0.264 3.933 4.170 0.044 0.000 0.242 146 I C 2.796 178.909 176.117 -0.007 0.000 1.091 146 I CA 1.714 62.992 61.300 -0.036 0.000 1.368 146 I CB -0.335 37.613 38.000 -0.085 0.000 1.058 146 I HN 0.480 nan 8.210 nan 0.000 0.410 147 Q N 0.158 119.977 119.800 0.031 0.000 2.167 147 Q HA -0.293 4.074 4.340 0.044 0.000 0.202 147 Q C 2.186 178.222 176.000 0.059 0.000 0.970 147 Q CA 1.782 57.610 55.803 0.040 0.000 0.855 147 Q CB -0.088 28.685 28.738 0.058 0.000 0.911 147 Q HN 0.591 nan 8.270 nan 0.000 0.438 148 H N 0.029 119.100 119.070 0.002 0.000 2.357 148 H HA -0.075 4.507 4.556 0.044 0.000 0.301 148 H C 1.734 177.058 175.328 -0.006 0.000 1.082 148 H CA 1.821 57.872 56.048 0.004 0.000 1.342 148 H CB 0.226 29.994 29.762 0.010 0.000 1.389 148 H HN 0.201 nan 8.280 nan 0.000 0.511 149 E N 0.244 120.378 120.200 -0.111 0.000 2.110 149 E HA -0.107 4.270 4.350 0.044 0.000 0.193 149 E C 2.579 179.095 176.600 -0.139 0.000 0.988 149 E CA 1.069 57.374 56.400 -0.158 0.000 0.804 149 E CB -0.357 29.302 29.700 -0.070 0.000 0.745 149 E HN 0.407 nan 8.360 nan 0.000 0.458 150 V N 1.558 121.406 119.914 -0.110 0.000 2.307 150 V HA -0.228 3.919 4.120 0.044 0.000 0.245 150 V C 2.425 178.457 176.094 -0.103 0.000 1.045 150 V CA 1.650 63.881 62.300 -0.115 0.000 1.024 150 V CB -0.413 31.356 31.823 -0.089 0.000 0.651 150 V HN 0.193 nan 8.190 nan 0.000 0.449 151 R N 0.057 120.507 120.500 -0.083 0.000 2.081 151 R HA -0.138 4.229 4.340 0.044 0.000 0.235 151 R C 2.409 178.631 176.300 -0.130 0.000 1.131 151 R CA 1.236 57.294 56.100 -0.070 0.000 0.960 151 R CB -0.359 29.927 30.300 -0.023 0.000 0.856 151 R HN 0.497 nan 8.270 nan 0.000 0.436 152 K N -0.028 120.245 120.400 -0.212 0.000 2.063 152 K HA -0.169 4.178 4.320 0.044 0.000 0.208 152 K C 1.928 178.409 176.600 -0.198 0.000 1.048 152 K CA 1.429 57.583 56.287 -0.221 0.000 0.928 152 K CB -0.245 32.077 32.500 -0.297 0.000 0.713 152 K HN 0.072 nan 8.250 nan 0.000 0.442 153 F N 1.524 121.292 119.950 -0.303 0.000 2.102 153 F HA -0.171 4.383 4.527 0.045 0.000 0.298 153 F C 2.166 177.662 175.800 -0.507 0.000 1.105 153 F CA 1.479 59.256 58.000 -0.371 0.000 1.239 153 F CB -0.068 38.684 39.000 -0.413 0.000 0.991 153 F HN -0.076 nan 8.300 nan 0.000 0.474 154 M N -0.201 119.132 119.600 -0.444 0.000 2.175 154 M HA -0.154 4.352 4.480 0.044 0.000 0.264 154 M C 2.409 178.531 176.300 -0.296 0.000 1.063 154 M CA 1.557 56.514 55.300 -0.571 0.000 1.119 154 M CB -0.696 31.757 32.600 -0.245 0.000 1.377 154 M HN 0.307 nan 8.290 nan 0.000 0.415 155 A N 0.284 122.987 122.820 -0.196 0.000 1.930 155 A HA 0.024 4.371 4.320 0.044 0.000 0.217 155 A C 2.335 179.823 177.584 -0.160 0.000 1.175 155 A CA 1.750 53.719 52.037 -0.112 0.000 0.627 155 A CB -0.730 18.223 19.000 -0.078 0.000 0.815 155 A HN 0.482 nan 8.150 nan 0.000 0.443 156 A N -0.442 122.215 122.820 -0.272 0.000 1.968 156 A HA -0.062 4.285 4.320 0.044 0.000 0.217 156 A C 1.823 179.231 177.584 -0.293 0.000 1.169 156 A CA 1.496 53.373 52.037 -0.266 0.000 0.638 156 A CB -0.231 18.591 19.000 -0.296 0.000 0.812 156 A HN 0.552 nan 8.150 nan 0.000 0.446 157 N N -2.511 115.906 118.700 -0.471 0.000 2.382 157 N HA 0.022 4.788 4.740 0.044 0.000 0.200 157 N C -0.486 175.000 175.510 -0.040 0.000 1.122 157 N CA 0.218 53.046 53.050 -0.369 0.000 0.870 157 N CB 0.340 38.326 38.487 -0.835 0.000 1.176 157 N HN 0.572 nan 8.380 nan 0.000 0.474 158 W N 3.061 124.073 121.300 -0.480 0.000 1.843 158 W HA 0.324 5.011 4.660 0.044 0.000 0.309 158 W C 0.485 176.802 176.519 -0.337 0.000 0.773 158 W CA -1.202 55.605 57.345 -0.895 0.000 2.405 158 W CB -0.504 28.174 29.460 -1.302 0.000 2.324 158 W HN 0.075 nan 8.180 nan 0.000 0.517 159 D N -0.524 119.952 120.400 0.126 0.000 2.360 159 D HA 0.015 4.681 4.640 0.044 0.000 0.210 159 D C 0.389 176.808 176.300 0.199 0.000 1.047 159 D CA 0.341 54.422 54.000 0.135 0.000 0.854 159 D CB 0.669 41.501 40.800 0.053 0.000 0.936 159 D HN 0.106 nan 8.370 nan 0.000 0.514 160 K N 0.164 120.765 120.400 0.335 0.000 2.416 160 K HA 0.210 4.557 4.320 0.044 0.000 0.244 160 K C 0.491 177.253 176.600 0.270 0.000 1.044 160 K CA -0.691 55.742 56.287 0.244 0.000 0.972 160 K CB 0.982 33.583 32.500 0.169 0.000 1.286 160 K HN -0.356 nan 8.250 nan 0.000 0.500 161 D N 0.984 121.455 120.400 0.119 0.000 2.178 161 D HA -0.099 4.567 4.640 0.044 0.000 0.202 161 D C -0.194 176.122 176.300 0.026 0.000 0.974 161 D CA 1.284 55.326 54.000 0.070 0.000 0.841 161 D CB 0.212 41.019 40.800 0.011 0.000 0.953 161 D HN 0.552 nan 8.370 nan 0.000 0.478 162 E N -2.067 118.064 120.200 -0.113 0.000 2.423 162 E HA 0.645 5.021 4.350 0.044 0.000 0.280 162 E C -0.419 175.723 176.600 -0.764 0.000 1.030 162 E CA -1.243 54.880 56.400 -0.462 0.000 0.812 162 E CB 1.743 31.265 29.700 -0.296 0.000 1.313 162 E HN -0.026 nan 8.360 nan 0.000 0.456 163 G N 0.143 108.180 108.800 -1.272 0.000 2.451 163 G HA2 0.385 4.372 3.960 0.044 0.000 0.292 163 G HA3 0.385 4.372 3.960 0.044 0.000 0.292 163 G C -1.851 172.701 174.900 -0.581 0.000 1.427 163 G CA -0.789 43.831 45.100 -0.799 0.000 0.792 163 G HN 0.596 nan 8.290 nan 0.000 0.498 164 E N -0.652 119.421 120.200 -0.212 0.000 2.183 164 E HA 0.717 5.094 4.350 0.044 0.000 0.271 164 E C -0.342 176.271 176.600 0.020 0.000 0.919 164 E CA -0.875 55.466 56.400 -0.098 0.000 0.781 164 E CB 1.673 31.330 29.700 -0.072 0.000 1.140 164 E HN 0.678 nan 8.360 nan 0.000 0.402 165 I N 0.355 120.946 120.570 0.034 0.000 3.095 165 I HA 0.497 4.694 4.170 0.044 0.000 0.310 165 I C -1.107 175.040 176.117 0.049 0.000 1.196 165 I CA -1.199 60.158 61.300 0.095 0.000 0.985 165 I CB 2.104 40.196 38.000 0.155 0.000 1.250 165 I HN 0.312 nan 8.210 nan 0.000 0.446 166 N N 2.888 121.627 118.700 0.066 0.000 2.420 166 N HA 0.185 4.952 4.740 0.044 0.000 0.249 166 N C 0.203 175.726 175.510 0.021 0.000 1.033 166 N CA -0.341 52.719 53.050 0.017 0.000 0.944 166 N CB 1.679 40.170 38.487 0.008 0.000 1.113 166 N HN 0.841 nan 8.380 nan 0.000 0.502 167 L N 5.294 126.495 121.223 -0.038 0.000 2.093 167 L HA -0.020 4.346 4.340 0.044 0.000 0.208 167 L C 1.921 178.739 176.870 -0.085 0.000 1.085 167 L CA 1.264 56.069 54.840 -0.059 0.000 0.755 167 L CB -0.588 41.376 42.059 -0.159 0.000 0.904 167 L HN 0.625 nan 8.230 nan 0.000 0.435 168 L N -0.363 120.786 121.223 -0.124 0.000 2.046 168 L HA -0.200 4.167 4.340 0.044 0.000 0.208 168 L C 2.353 179.169 176.870 -0.091 0.000 1.077 168 L CA 1.814 56.569 54.840 -0.143 0.000 0.747 168 L CB -0.632 41.319 42.059 -0.179 0.000 0.896 168 L HN 0.383 nan 8.230 nan 0.000 0.432 169 E N -0.600 119.569 120.200 -0.052 0.000 2.051 169 E HA -0.225 4.152 4.350 0.044 0.000 0.192 169 E C 1.790 178.369 176.600 -0.034 0.000 0.991 169 E CA 1.435 57.821 56.400 -0.022 0.000 0.799 169 E CB -0.189 29.522 29.700 0.017 0.000 0.748 169 E HN 0.540 nan 8.360 nan 0.000 0.449 170 D N 0.137 120.542 120.400 0.009 0.000 2.144 170 D HA -0.115 4.551 4.640 0.044 0.000 0.200 170 D C 1.904 178.001 176.300 -0.338 0.000 0.978 170 D CA 0.731 54.690 54.000 -0.068 0.000 0.833 170 D CB -0.387 40.593 40.800 0.301 0.000 0.961 170 D HN 0.191 nan 8.370 nan 0.000 0.470 171 C N 0.234 119.420 119.300 -0.191 0.000 2.440 171 C HA -0.034 4.453 4.460 0.044 0.000 0.278 171 C C 2.872 177.729 174.990 -0.221 0.000 1.295 171 C CA 0.614 59.500 59.018 -0.221 0.000 1.738 171 C CB -0.815 26.838 27.740 -0.146 0.000 1.987 171 C HN 0.284 nan 8.230 nan 0.000 0.492 172 S N 0.689 116.291 115.700 -0.162 0.000 2.368 172 S HA -0.153 4.344 4.470 0.044 0.000 0.224 172 S C 1.872 176.372 174.600 -0.168 0.000 1.029 172 S CA 1.960 60.087 58.200 -0.122 0.000 0.988 172 S CB -0.578 62.594 63.200 -0.047 0.000 0.838 172 S HN 0.722 nan 8.310 nan 0.000 0.462 173 T N 2.815 117.241 114.554 -0.215 0.000 2.708 173 T HA -0.035 4.341 4.350 0.044 0.000 0.266 173 T C 1.845 176.332 174.700 -0.354 0.000 1.037 173 T CA 1.269 63.224 62.100 -0.240 0.000 1.146 173 T CB -0.365 68.382 68.868 -0.201 0.000 0.865 173 T HN 0.319 nan 8.240 nan 0.000 0.435 174 M N 0.329 119.590 119.600 -0.566 0.000 2.117 174 M HA -0.052 4.454 4.480 0.044 0.000 0.262 174 M C 2.174 178.300 176.300 -0.290 0.000 1.065 174 M CA 1.356 56.363 55.300 -0.489 0.000 1.114 174 M CB -0.468 31.793 32.600 -0.565 0.000 1.361 174 M HN 0.159 nan 8.290 nan 0.000 0.408 175 I N 0.200 120.620 120.570 -0.249 0.000 2.252 175 I HA -0.253 3.944 4.170 0.044 0.000 0.245 175 I C 2.386 178.394 176.117 -0.182 0.000 1.102 175 I CA 1.524 62.700 61.300 -0.205 0.000 1.385 175 I CB -0.851 37.047 38.000 -0.170 0.000 1.064 175 I HN 0.341 nan 8.210 nan 0.000 0.414 176 I N 0.889 121.360 120.570 -0.165 0.000 2.315 176 I HA -0.295 3.901 4.170 0.044 0.000 0.248 176 I C 2.115 178.166 176.117 -0.111 0.000 1.117 176 I CA 1.240 62.454 61.300 -0.143 0.000 1.404 176 I CB -0.104 37.821 38.000 -0.124 0.000 1.071 176 I HN 0.233 nan 8.210 nan 0.000 0.419 177 N N 0.706 119.341 118.700 -0.109 0.000 2.084 177 N HA -0.177 4.590 4.740 0.044 0.000 0.190 177 N C 1.880 177.340 175.510 -0.083 0.000 1.030 177 N CA 2.261 55.269 53.050 -0.071 0.000 0.849 177 N CB -0.899 37.545 38.487 -0.072 0.000 1.012 177 N HN 0.504 nan 8.380 nan 0.000 0.423 178 T N -1.453 113.022 114.554 -0.131 0.000 2.821 178 T HA 0.082 4.458 4.350 0.044 0.000 0.267 178 T C 2.020 176.625 174.700 -0.157 0.000 1.046 178 T CA 1.223 63.237 62.100 -0.142 0.000 1.139 178 T CB -0.490 68.264 68.868 -0.189 0.000 0.871 178 T HN 0.166 nan 8.240 nan 0.000 0.454 179 A N 0.828 123.553 122.820 -0.157 0.000 1.877 179 A HA -0.043 4.303 4.320 0.044 0.000 0.216 179 A C 2.779 180.241 177.584 -0.204 0.000 1.186 179 A CA 1.565 53.539 52.037 -0.104 0.000 0.620 179 A CB -1.463 17.485 19.000 -0.087 0.000 0.822 179 A HN 0.701 nan 8.150 nan 0.000 0.443 180 C N -1.458 117.755 119.300 -0.145 0.000 2.425 180 C HA -0.065 4.422 4.460 0.044 0.000 0.277 180 C C 2.842 177.806 174.990 -0.042 0.000 1.280 180 C CA 1.365 60.358 59.018 -0.042 0.000 1.744 180 C CB -1.086 26.749 27.740 0.158 0.000 1.989 180 C HN 0.756 nan 8.230 nan 0.000 0.491 181 Q N -0.146 119.624 119.800 -0.050 0.000 2.167 181 Q HA -0.125 4.242 4.340 0.044 0.000 0.202 181 Q C 2.114 178.051 176.000 -0.106 0.000 0.970 181 Q CA 1.874 57.663 55.803 -0.023 0.000 0.855 181 Q CB -0.452 28.292 28.738 0.010 0.000 0.911 181 Q HN 0.698 nan 8.270 nan 0.000 0.438 182 C N -0.931 118.210 119.300 -0.264 0.000 2.466 182 C HA 0.054 4.540 4.460 0.044 0.000 0.278 182 C C 2.231 176.903 174.990 -0.529 0.000 1.288 182 C CA 0.472 59.158 59.018 -0.554 0.000 1.722 182 C CB -0.717 26.431 27.740 -0.986 0.000 2.017 182 C HN 0.510 nan 8.230 nan 0.000 0.488 183 L N -2.075 118.807 121.223 -0.567 0.000 2.463 183 L HA 0.284 4.650 4.340 0.044 0.000 0.219 183 L C -0.130 176.430 176.870 -0.516 0.000 1.088 183 L CA 0.481 54.919 54.840 -0.671 0.000 0.849 183 L CB -0.067 41.362 42.059 -1.050 0.000 1.012 183 L HN 0.249 nan 8.230 nan 0.000 0.468 184 F N -0.291 119.655 119.950 -0.006 0.000 2.520 184 F HA 0.541 5.094 4.527 0.044 0.000 0.322 184 F C 1.040 176.862 175.800 0.037 0.000 1.103 184 F CA -1.154 56.868 58.000 0.036 0.000 0.926 184 F CB 1.333 40.380 39.000 0.078 0.000 1.154 184 F HN -0.198 nan 8.300 nan 0.000 0.453 185 G N 1.169 110.116 108.800 0.245 0.000 2.614 185 G HA2 0.026 4.013 3.960 0.044 0.000 0.239 185 G HA3 0.026 4.013 3.960 0.044 0.000 0.239 185 G C 0.642 175.614 174.900 0.120 0.000 1.240 185 G CA -0.145 45.038 45.100 0.139 0.000 0.842 185 G HN 0.855 nan 8.290 nan 0.000 0.584 186 E N 0.146 120.395 120.200 0.082 0.000 2.130 186 E HA -0.209 4.168 4.350 0.044 0.000 0.196 186 E C 2.154 178.785 176.600 0.052 0.000 0.998 186 E CA 2.067 58.506 56.400 0.066 0.000 0.806 186 E CB 0.037 29.764 29.700 0.045 0.000 0.738 186 E HN 0.642 nan 8.360 nan 0.000 0.459 187 D N 0.217 120.641 120.400 0.040 0.000 2.117 187 D HA -0.212 4.455 4.640 0.044 0.000 0.197 187 D C 1.990 178.294 176.300 0.007 0.000 0.987 187 D CA 0.885 54.897 54.000 0.019 0.000 0.829 187 D CB -0.711 40.096 40.800 0.012 0.000 0.961 187 D HN 0.313 nan 8.370 nan 0.000 0.460 188 L N 0.450 121.682 121.223 0.014 0.000 2.056 188 L HA 0.036 4.403 4.340 0.044 0.000 0.207 188 L C 2.421 179.282 176.870 -0.015 0.000 1.078 188 L CA 1.498 56.318 54.840 -0.033 0.000 0.749 188 L CB -0.619 41.404 42.059 -0.059 0.000 0.901 188 L HN -0.145 nan 8.230 nan 0.000 0.433 189 R N -0.579 119.959 120.500 0.063 0.000 2.152 189 R HA -0.133 4.234 4.340 0.044 0.000 0.232 189 R C 2.184 178.513 176.300 0.049 0.000 1.117 189 R CA 1.341 57.495 56.100 0.091 0.000 0.981 189 R CB -0.152 30.228 30.300 0.133 0.000 0.870 189 R HN 0.404 nan 8.270 nan 0.000 0.451 190 K N -0.155 120.262 120.400 0.028 0.000 2.062 190 K HA -0.054 4.292 4.320 0.044 0.000 0.205 190 K C 2.059 178.655 176.600 -0.007 0.000 1.051 190 K CA 0.876 57.171 56.287 0.014 0.000 0.941 190 K CB 0.005 32.512 32.500 0.012 0.000 0.719 190 K HN 0.062 nan 8.250 nan 0.000 0.440 191 R N 0.172 120.656 120.500 -0.028 0.000 2.193 191 R HA 0.022 4.389 4.340 0.044 0.000 0.213 191 R C -0.070 176.185 176.300 -0.075 0.000 1.055 191 R CA 0.554 56.623 56.100 -0.052 0.000 0.995 191 R CB 0.226 30.486 30.300 -0.068 0.000 0.893 191 R HN -0.008 nan 8.270 nan 0.000 0.459 192 L N 1.981 123.159 121.223 -0.076 0.000 2.492 192 L HA 0.179 4.545 4.340 0.044 0.000 0.259 192 L C -1.347 175.527 176.870 0.007 0.000 1.229 192 L CA -0.826 53.950 54.840 -0.105 0.000 0.903 192 L CB 0.840 42.730 42.059 -0.282 0.000 1.114 192 L HN -0.013 nan 8.230 nan 0.000 0.494 193 D N 1.858 122.281 120.400 0.039 0.000 2.360 193 D HA 0.294 4.961 4.640 0.044 0.000 0.242 193 D C 1.379 177.769 176.300 0.149 0.000 1.184 193 D CA 0.266 54.319 54.000 0.088 0.000 0.930 193 D CB 0.918 41.754 40.800 0.059 0.000 1.161 193 D HN 0.384 nan 8.370 nan 0.000 0.447 194 A N 0.828 123.735 122.820 0.145 0.000 1.927 194 A HA -0.318 4.029 4.320 0.044 0.000 0.220 194 A C 2.162 179.820 177.584 0.124 0.000 1.185 194 A CA 2.336 54.457 52.037 0.139 0.000 0.639 194 A CB -0.813 18.228 19.000 0.068 0.000 0.820 194 A HN 0.702 nan 8.150 nan 0.000 0.451 195 R N -0.635 119.918 120.500 0.089 0.000 2.075 195 R HA -0.116 4.251 4.340 0.044 0.000 0.232 195 R C 2.420 178.766 176.300 0.078 0.000 1.126 195 R CA 1.608 57.750 56.100 0.070 0.000 0.963 195 R CB -0.360 29.971 30.300 0.050 0.000 0.858 195 R HN 0.556 nan 8.270 nan 0.000 0.435 196 R N -0.666 119.879 120.500 0.075 0.000 2.075 196 R HA -0.138 4.229 4.340 0.044 0.000 0.232 196 R C 2.151 178.506 176.300 0.092 0.000 1.126 196 R CA 1.382 57.511 56.100 0.050 0.000 0.963 196 R CB -0.328 29.973 30.300 0.003 0.000 0.858 196 R HN 0.189 nan 8.270 nan 0.000 0.435 197 F N 1.158 121.104 119.950 -0.007 0.000 2.102 197 F HA -0.102 4.451 4.527 0.044 0.000 0.298 197 F C 2.243 178.039 175.800 -0.007 0.000 1.105 197 F CA 1.088 59.085 58.000 -0.006 0.000 1.239 197 F CB -0.913 38.094 39.000 0.012 0.000 0.991 197 F HN 0.105 nan 8.300 nan 0.000 0.474 198 A N -0.142 122.816 122.820 0.229 0.000 1.884 198 A HA -0.321 4.025 4.320 0.044 0.000 0.219 198 A C 2.161 179.795 177.584 0.082 0.000 1.197 198 A CA 2.264 54.355 52.037 0.091 0.000 0.637 198 A CB -1.079 17.948 19.000 0.044 0.000 0.827 198 A HN 0.571 nan 8.150 nan 0.000 0.450 199 Q N -0.773 119.076 119.800 0.081 0.000 2.096 199 Q HA -0.094 4.273 4.340 0.044 0.000 0.204 199 Q C 2.177 178.217 176.000 0.068 0.000 0.982 199 Q CA 1.394 57.233 55.803 0.060 0.000 0.850 199 Q CB -0.281 28.484 28.738 0.044 0.000 0.901 199 Q HN 0.684 nan 8.270 nan 0.000 0.422 200 L N 0.194 121.468 121.223 0.084 0.000 2.027 200 L HA -0.198 4.169 4.340 0.044 0.000 0.206 200 L C 2.297 179.243 176.870 0.126 0.000 1.074 200 L CA 1.002 55.888 54.840 0.076 0.000 0.745 200 L CB -0.375 41.695 42.059 0.019 0.000 0.898 200 L HN 0.312 nan 8.230 nan 0.000 0.433 201 L N -0.415 120.910 121.223 0.170 0.000 2.012 201 L HA -0.236 4.131 4.340 0.044 0.000 0.210 201 L C 2.853 179.753 176.870 0.051 0.000 1.073 201 L CA 1.360 56.270 54.840 0.117 0.000 0.748 201 L CB -0.769 41.295 42.059 0.009 0.000 0.891 201 L HN 0.255 nan 8.230 nan 0.000 0.431 202 A N -0.010 122.834 122.820 0.039 0.000 1.933 202 A HA -0.266 4.080 4.320 0.044 0.000 0.218 202 A C 2.384 180.022 177.584 0.090 0.000 1.175 202 A CA 2.074 54.143 52.037 0.053 0.000 0.628 202 A CB -0.450 18.580 19.000 0.050 0.000 0.814 202 A HN 0.358 nan 8.150 nan 0.000 0.444 203 K N -0.746 119.708 120.400 0.090 0.000 2.002 203 K HA -0.118 4.228 4.320 0.044 0.000 0.209 203 K C 2.108 178.782 176.600 0.124 0.000 1.048 203 K CA 1.812 58.154 56.287 0.091 0.000 0.930 203 K CB -0.286 32.257 32.500 0.072 0.000 0.714 203 K HN 0.489 nan 8.250 nan 0.000 0.438 204 M N 0.541 120.237 119.600 0.160 0.000 2.080 204 M HA -0.209 4.297 4.480 0.044 0.000 0.260 204 M C 2.339 178.807 176.300 0.280 0.000 1.068 204 M CA 1.965 57.393 55.300 0.214 0.000 1.109 204 M CB -0.420 32.350 32.600 0.283 0.000 1.342 204 M HN 0.305 nan 8.290 nan 0.000 0.405 205 E N 0.527 120.940 120.200 0.355 0.000 2.058 205 E HA -0.213 4.164 4.350 0.044 0.000 0.194 205 E C 1.877 178.635 176.600 0.263 0.000 0.997 205 E CA 1.918 58.574 56.400 0.426 0.000 0.801 205 E CB 0.008 29.860 29.700 0.253 0.000 0.746 205 E HN 0.528 nan 8.360 nan 0.000 0.450 206 S N -0.119 115.688 115.700 0.177 0.000 2.555 206 S HA -0.079 4.418 4.470 0.044 0.000 0.230 206 S C 1.896 176.568 174.600 0.120 0.000 0.978 206 S CA 0.920 59.199 58.200 0.131 0.000 0.934 206 S CB -0.064 63.193 63.200 0.096 0.000 0.766 206 S HN 0.284 nan 8.310 nan 0.000 0.533 207 S N 0.681 116.459 115.700 0.130 0.000 2.558 207 S HA 0.288 4.785 4.470 0.044 0.000 0.217 207 S C 0.479 175.149 174.600 0.117 0.000 0.975 207 S CA -0.605 57.659 58.200 0.108 0.000 0.912 207 S CB -0.632 62.627 63.200 0.098 0.000 0.776 207 S HN 0.522 nan 8.310 nan 0.000 0.526 208 L N 1.876 123.193 121.223 0.157 0.000 2.371 208 L HA 0.461 4.828 4.340 0.044 0.000 0.272 208 L C -0.212 176.767 176.870 0.182 0.000 1.124 208 L CA -0.308 54.656 54.840 0.207 0.000 0.816 208 L CB 0.992 43.224 42.059 0.288 0.000 1.129 208 L HN 0.265 nan 8.230 nan 0.000 0.448 209 I N 4.612 125.295 120.570 0.188 0.000 2.595 209 I HA 0.199 4.396 4.170 0.044 0.000 0.275 209 I C -1.618 174.392 176.117 -0.179 0.000 1.092 209 I CA -1.363 59.959 61.300 0.037 0.000 1.145 209 I CB 1.370 39.388 38.000 0.031 0.000 1.276 209 I HN 0.434 nan 8.210 nan 0.000 0.497 210 P HA -0.068 nan 4.420 nan 0.000 0.233 210 P C 1.483 178.448 177.300 -0.559 0.000 1.167 210 P CA 0.599 63.093 63.100 -1.010 0.000 0.770 210 P CB 0.363 31.645 31.700 -0.696 0.000 0.837 211 A N 1.083 123.762 122.820 -0.236 0.000 2.032 211 A HA -0.131 4.216 4.320 0.044 0.000 0.221 211 A C 2.368 179.885 177.584 -0.112 0.000 1.165 211 A CA 1.865 53.855 52.037 -0.079 0.000 0.645 211 A CB -1.423 17.562 19.000 -0.026 0.000 0.807 211 A HN 0.245 nan 8.150 nan 0.000 0.453 212 A N -0.601 122.105 122.820 -0.189 0.000 2.076 212 A HA 0.026 4.373 4.320 0.044 0.000 0.220 212 A C 2.118 179.582 177.584 -0.200 0.000 1.160 212 A CA 1.586 53.545 52.037 -0.129 0.000 0.653 212 A CB -0.729 18.248 19.000 -0.038 0.000 0.801 212 A HN 0.386 nan 8.150 nan 0.000 0.455 213 V N -1.534 118.130 119.914 -0.416 0.000 2.343 213 V HA -0.244 3.902 4.120 0.044 0.000 0.247 213 V C 2.055 177.762 176.094 -0.646 0.000 1.051 213 V CA 2.147 64.086 62.300 -0.602 0.000 1.036 213 V CB -0.822 30.409 31.823 -0.986 0.000 0.654 213 V HN 0.667 nan 8.190 nan 0.000 0.451 214 F N -1.407 118.467 119.950 -0.128 0.000 2.746 214 F HA 0.361 4.918 4.527 0.049 0.000 0.297 214 F C 0.896 176.654 175.800 -0.070 0.000 1.113 214 F CA 0.298 58.241 58.000 -0.095 0.000 1.367 214 F CB 0.286 39.219 39.000 -0.112 0.000 1.111 214 F HN -0.023 nan 8.300 nan 0.000 0.590 215 L N 2.422 123.676 121.223 0.052 0.000 2.495 215 L HA 0.290 4.657 4.340 0.044 0.000 0.248 215 L C -1.699 175.168 176.870 -0.005 0.000 1.229 215 L CA -1.417 53.438 54.840 0.025 0.000 0.942 215 L CB 1.088 43.161 42.059 0.024 0.000 1.242 215 L HN -0.220 nan 8.230 nan 0.000 0.484 216 P HA -0.180 nan 4.420 nan 0.000 0.225 216 P C 1.611 178.912 177.300 0.001 0.000 1.148 216 P CA 1.082 64.175 63.100 -0.011 0.000 0.779 216 P CB 0.575 32.269 31.700 -0.010 0.000 0.780 217 I N -0.498 120.074 120.570 0.004 0.000 2.335 217 I HA -0.229 3.968 4.170 0.044 0.000 0.251 217 I C 2.163 178.285 176.117 0.007 0.000 1.129 217 I CA 1.053 62.357 61.300 0.006 0.000 1.402 217 I CB -0.284 37.719 38.000 0.006 0.000 1.069 217 I HN -0.164 nan 8.210 nan 0.000 0.424 218 L N 0.227 121.454 121.223 0.007 0.000 2.129 218 L HA -0.260 4.107 4.340 0.044 0.000 0.212 218 L C 2.248 179.129 176.870 0.018 0.000 1.087 218 L CA 1.286 56.133 54.840 0.011 0.000 0.757 218 L CB -0.471 41.592 42.059 0.007 0.000 0.896 218 L HN 0.350 nan 8.230 nan 0.000 0.434 219 L N -0.907 120.328 121.223 0.021 0.000 2.554 219 L HA -0.100 4.266 4.340 0.044 0.000 0.226 219 L C 1.924 178.807 176.870 0.020 0.000 1.137 219 L CA 0.673 55.530 54.840 0.029 0.000 0.863 219 L CB -0.184 41.897 42.059 0.036 0.000 0.985 219 L HN 0.200 nan 8.230 nan 0.000 0.451 220 K N -0.340 120.069 120.400 0.014 0.000 2.353 220 K HA 0.251 4.597 4.320 0.044 0.000 0.195 220 K C 0.270 176.875 176.600 0.008 0.000 1.031 220 K CA -0.031 56.262 56.287 0.010 0.000 1.079 220 K CB 0.592 33.097 32.500 0.008 0.000 0.857 220 K HN 0.170 nan 8.250 nan 0.000 0.535 221 L N 2.671 123.900 121.223 0.009 0.000 2.357 221 L HA 0.310 4.677 4.340 0.044 0.000 0.273 221 L C -2.180 174.694 176.870 0.008 0.000 1.080 221 L CA -2.370 52.475 54.840 0.008 0.000 0.803 221 L CB 0.548 42.612 42.059 0.008 0.000 1.174 221 L HN -0.106 nan 8.230 nan 0.000 0.443 222 P HA 0.257 nan 4.420 nan 0.000 0.271 222 P C -1.182 176.123 177.300 0.009 0.000 1.233 222 P CA 0.080 63.183 63.100 0.004 0.000 0.764 222 P CB 0.528 32.228 31.700 0.000 0.000 0.825 223 L N 6.258 127.489 121.223 0.013 0.000 2.386 223 L HA 0.401 4.768 4.340 0.044 0.000 0.271 223 L C -1.243 175.640 176.870 0.022 0.000 0.993 223 L CA -2.098 52.754 54.840 0.019 0.000 0.819 223 L CB 2.581 44.656 42.059 0.026 0.000 1.294 223 L HN 0.137 nan 8.230 nan 0.000 0.414 224 P HA -0.140 nan 4.420 nan 0.000 0.222 224 P C 0.923 178.246 177.300 0.038 0.000 1.147 224 P CA 0.931 64.047 63.100 0.027 0.000 0.790 224 P CB 0.459 32.173 31.700 0.024 0.000 0.780 225 Q N 0.290 120.115 119.800 0.042 0.000 2.112 225 Q HA -0.128 4.239 4.340 0.044 0.000 0.206 225 Q C 2.471 178.507 176.000 0.060 0.000 0.987 225 Q CA 2.216 58.051 55.803 0.054 0.000 0.858 225 Q CB -1.081 27.691 28.738 0.057 0.000 0.905 225 Q HN 0.254 nan 8.270 nan 0.000 0.420 226 S N 0.385 116.116 115.700 0.051 0.000 2.359 226 S HA -0.215 4.282 4.470 0.044 0.000 0.224 226 S C 2.012 176.658 174.600 0.077 0.000 1.035 226 S CA 1.103 59.336 58.200 0.055 0.000 1.018 226 S CB -0.569 62.650 63.200 0.032 0.000 0.876 226 S HN 0.548 nan 8.310 nan 0.000 0.448 227 A N 1.797 124.652 122.820 0.060 0.000 1.933 227 A HA -0.081 4.266 4.320 0.044 0.000 0.218 227 A C 2.197 179.848 177.584 0.112 0.000 1.175 227 A CA 1.225 53.308 52.037 0.077 0.000 0.628 227 A CB -0.428 18.597 19.000 0.043 0.000 0.814 227 A HN 0.399 nan 8.150 nan 0.000 0.444 228 R N -1.399 119.151 120.500 0.085 0.000 2.066 228 R HA -0.126 4.241 4.340 0.044 0.000 0.232 228 R C 2.370 178.722 176.300 0.087 0.000 1.131 228 R CA 1.380 57.527 56.100 0.078 0.000 0.955 228 R CB -0.854 29.486 30.300 0.067 0.000 0.851 228 R HN 0.628 nan 8.270 nan 0.000 0.432 229 C N 0.132 119.489 119.300 0.094 0.000 2.413 229 C HA -0.166 4.320 4.460 0.044 0.000 0.276 229 C C 2.629 177.676 174.990 0.095 0.000 1.236 229 C CA 1.406 60.478 59.018 0.090 0.000 1.735 229 C CB -0.936 26.851 27.740 0.078 0.000 2.031 229 C HN 0.564 nan 8.230 nan 0.000 0.474 230 H N 0.352 119.443 119.070 0.035 0.000 2.352 230 H HA -0.112 4.470 4.556 0.044 0.000 0.299 230 H C 2.212 177.560 175.328 0.032 0.000 1.097 230 H CA 2.324 58.393 56.048 0.035 0.000 1.311 230 H CB -0.297 29.482 29.762 0.029 0.000 1.377 230 H HN 0.571 nan 8.280 nan 0.000 0.504 231 E N -0.204 120.038 120.200 0.070 0.000 2.058 231 E HA -0.205 4.172 4.350 0.044 0.000 0.194 231 E C 2.353 178.924 176.600 -0.049 0.000 0.997 231 E CA 0.918 57.324 56.400 0.010 0.000 0.801 231 E CB -0.216 29.521 29.700 0.062 0.000 0.746 231 E HN 0.641 nan 8.360 nan 0.000 0.450 232 A N 1.308 124.120 122.820 -0.012 0.000 1.873 232 A HA -0.183 4.164 4.320 0.044 0.000 0.215 232 A C 2.115 179.675 177.584 -0.039 0.000 1.186 232 A CA 1.385 53.416 52.037 -0.010 0.000 0.616 232 A CB -0.458 18.564 19.000 0.037 0.000 0.823 232 A HN 0.088 nan 8.150 nan 0.000 0.442 233 R N -0.815 119.659 120.500 -0.043 0.000 2.081 233 R HA -0.127 4.240 4.340 0.044 0.000 0.235 233 R C 2.170 178.406 176.300 -0.107 0.000 1.131 233 R CA 2.040 58.111 56.100 -0.048 0.000 0.960 233 R CB -0.590 29.695 30.300 -0.024 0.000 0.856 233 R HN 0.508 nan 8.270 nan 0.000 0.436 234 T N 0.592 115.022 114.554 -0.207 0.000 2.746 234 T HA -0.185 4.192 4.350 0.044 0.000 0.267 234 T C 1.563 176.189 174.700 -0.123 0.000 1.039 234 T CA 1.611 63.586 62.100 -0.207 0.000 1.142 234 T CB -0.187 68.475 68.868 -0.344 0.000 0.866 234 T HN 0.453 nan 8.240 nan 0.000 0.444 235 E N 0.411 120.545 120.200 -0.109 0.000 2.110 235 E HA -0.150 4.226 4.350 0.044 0.000 0.193 235 E C 2.180 178.709 176.600 -0.119 0.000 0.988 235 E CA 0.859 57.203 56.400 -0.094 0.000 0.804 235 E CB -0.161 29.491 29.700 -0.080 0.000 0.745 235 E HN 0.302 nan 8.360 nan 0.000 0.458 236 L N 1.388 122.534 121.223 -0.129 0.000 2.027 236 L HA -0.184 4.183 4.340 0.044 0.000 0.206 236 L C 2.467 179.254 176.870 -0.138 0.000 1.074 236 L CA 2.036 56.772 54.840 -0.174 0.000 0.745 236 L CB -0.729 41.241 42.059 -0.148 0.000 0.898 236 L HN 0.181 nan 8.230 nan 0.000 0.433 237 Q N -0.965 118.780 119.800 -0.091 0.000 2.124 237 Q HA -0.247 4.119 4.340 0.044 0.000 0.202 237 Q C 1.949 177.910 176.000 -0.066 0.000 0.977 237 Q CA 1.599 57.364 55.803 -0.063 0.000 0.850 237 Q CB 0.080 28.800 28.738 -0.029 0.000 0.901 237 Q HN 0.296 nan 8.270 nan 0.000 0.429 238 K N 0.409 120.765 120.400 -0.073 0.000 2.057 238 K HA -0.057 4.289 4.320 0.044 0.000 0.206 238 K C 1.793 178.347 176.600 -0.077 0.000 1.050 238 K CA 1.081 57.330 56.287 -0.064 0.000 0.935 238 K CB -0.341 32.124 32.500 -0.058 0.000 0.715 238 K HN 0.279 nan 8.250 nan 0.000 0.439 239 I N 0.575 121.081 120.570 -0.108 0.000 2.163 239 I HA -0.301 3.896 4.170 0.044 0.000 0.243 239 I C 1.969 178.014 176.117 -0.120 0.000 1.085 239 I CA 1.174 62.398 61.300 -0.126 0.000 1.347 239 I CB -0.323 37.565 38.000 -0.186 0.000 1.044 239 I HN 0.042 nan 8.210 nan 0.000 0.408 240 L N 0.371 121.519 121.223 -0.125 0.000 2.042 240 L HA -0.231 4.136 4.340 0.044 0.000 0.210 240 L C 2.797 179.628 176.870 -0.065 0.000 1.076 240 L CA 1.847 56.627 54.840 -0.101 0.000 0.749 240 L CB -0.809 41.197 42.059 -0.089 0.000 0.893 240 L HN 0.404 nan 8.230 nan 0.000 0.432 241 S N -0.784 114.884 115.700 -0.054 0.000 2.406 241 S HA -0.157 4.339 4.470 0.044 0.000 0.228 241 S C 1.710 176.288 174.600 -0.037 0.000 1.020 241 S CA 0.853 59.031 58.200 -0.037 0.000 0.965 241 S CB -0.272 62.911 63.200 -0.028 0.000 0.798 241 S HN 0.460 nan 8.310 nan 0.000 0.488 242 E N 0.885 121.058 120.200 -0.045 0.000 2.106 242 E HA -0.026 4.351 4.350 0.044 0.000 0.192 242 E C 1.934 178.510 176.600 -0.039 0.000 0.984 242 E CA 1.108 57.484 56.400 -0.040 0.000 0.806 242 E CB -0.189 29.483 29.700 -0.046 0.000 0.750 242 E HN 0.447 nan 8.360 nan 0.000 0.458 243 I N 0.957 121.498 120.570 -0.048 0.000 2.252 243 I HA -0.228 3.969 4.170 0.044 0.000 0.245 243 I C 2.336 178.436 176.117 -0.028 0.000 1.102 243 I CA 1.176 62.452 61.300 -0.041 0.000 1.385 243 I CB -0.668 37.298 38.000 -0.056 0.000 1.064 243 I HN 0.169 nan 8.210 nan 0.000 0.414 244 I N 0.817 121.369 120.570 -0.030 0.000 2.151 244 I HA -0.337 3.859 4.170 0.044 0.000 0.243 244 I C 2.546 178.652 176.117 -0.019 0.000 1.080 244 I CA 1.707 62.994 61.300 -0.023 0.000 1.339 244 I CB -0.233 37.753 38.000 -0.024 0.000 1.039 244 I HN 0.107 nan 8.210 nan 0.000 0.409 245 I N 0.419 120.977 120.570 -0.020 0.000 2.202 245 I HA -0.260 3.936 4.170 0.044 0.000 0.242 245 I C 2.779 178.888 176.117 -0.015 0.000 1.091 245 I CA 1.246 62.536 61.300 -0.017 0.000 1.368 245 I CB -0.496 37.494 38.000 -0.017 0.000 1.058 245 I HN 0.179 nan 8.210 nan 0.000 0.410 246 A N 0.883 123.694 122.820 -0.016 0.000 1.940 246 A HA -0.232 4.115 4.320 0.044 0.000 0.219 246 A C 2.377 179.956 177.584 -0.010 0.000 1.176 246 A CA 1.658 53.687 52.037 -0.013 0.000 0.631 246 A CB -0.594 18.397 19.000 -0.016 0.000 0.814 246 A HN 0.332 nan 8.150 nan 0.000 0.446 247 R N -0.386 120.109 120.500 -0.010 0.000 2.092 247 R HA -0.070 4.297 4.340 0.044 0.000 0.231 247 R C 2.178 178.473 176.300 -0.007 0.000 1.119 247 R CA 1.503 57.600 56.100 -0.006 0.000 0.970 247 R CB -0.239 30.058 30.300 -0.004 0.000 0.864 247 R HN 0.509 nan 8.270 nan 0.000 0.440 248 K N 0.490 120.884 120.400 -0.009 0.000 2.103 248 K HA -0.219 4.127 4.320 0.044 0.000 0.207 248 K C 1.994 178.589 176.600 -0.008 0.000 1.048 248 K CA 1.466 57.747 56.287 -0.009 0.000 0.930 248 K CB -0.051 32.442 32.500 -0.011 0.000 0.716 248 K HN 0.211 nan 8.250 nan 0.000 0.444 249 E N 1.143 121.338 120.200 -0.008 0.000 2.110 249 E HA -0.191 4.186 4.350 0.044 0.000 0.193 249 E C 1.664 178.261 176.600 -0.005 0.000 0.988 249 E CA 1.212 57.608 56.400 -0.007 0.000 0.804 249 E CB 0.215 29.911 29.700 -0.007 0.000 0.745 249 E HN 0.281 nan 8.360 nan 0.000 0.458 250 E N 0.027 120.224 120.200 -0.004 0.000 2.107 250 E HA -0.174 4.203 4.350 0.044 0.000 0.191 250 E C 1.989 178.587 176.600 -0.002 0.000 0.982 250 E CA 0.959 57.358 56.400 -0.002 0.000 0.809 250 E CB 0.041 29.741 29.700 -0.001 0.000 0.756 250 E HN 0.304 nan 8.360 nan 0.000 0.459 251 E N 0.250 120.448 120.200 -0.003 0.000 2.072 251 E HA -0.149 4.228 4.350 0.044 0.000 0.191 251 E C 2.121 178.718 176.600 -0.004 0.000 0.985 251 E CA 0.930 57.328 56.400 -0.004 0.000 0.801 251 E CB 0.137 29.834 29.700 -0.005 0.000 0.750 251 E HN 0.035 nan 8.360 nan 0.000 0.452 252 V N 1.800 121.712 119.914 -0.005 0.000 2.358 252 V HA -0.231 3.916 4.120 0.044 0.000 0.246 252 V C 1.745 177.836 176.094 -0.004 0.000 1.047 252 V CA 1.600 63.898 62.300 -0.005 0.000 1.035 252 V CB -0.336 31.483 31.823 -0.005 0.000 0.658 252 V HN 0.302 nan 8.190 nan 0.000 0.452 253 N N -0.476 118.222 118.700 -0.003 0.000 2.428 253 N HA 0.058 4.825 4.740 0.044 0.000 0.181 253 N C 1.041 176.550 175.510 -0.002 0.000 1.028 253 N CA 0.583 53.631 53.050 -0.003 0.000 0.877 253 N CB 0.281 38.766 38.487 -0.003 0.000 1.064 253 N HN 0.444 nan 8.380 nan 0.000 0.434 254 K N 0.585 120.984 120.400 -0.002 0.000 2.762 254 K HA 0.157 4.504 4.320 0.044 0.000 0.292 254 K C 0.017 176.616 176.600 -0.001 0.000 1.008 254 K CA -0.178 56.108 56.287 -0.001 0.000 1.142 254 K CB 0.233 32.733 32.500 0.000 0.000 1.490 254 K HN 0.084 nan 8.250 nan 0.000 0.581 255 D N -1.691 118.709 120.400 -0.001 0.000 2.559 255 D HA 0.046 4.713 4.640 0.044 0.000 0.234 255 D C -0.334 175.966 176.300 0.001 0.000 1.226 255 D CA -0.281 53.718 54.000 -0.001 0.000 0.830 255 D CB 0.458 41.258 40.800 -0.001 0.000 1.028 255 D HN 0.163 nan 8.370 nan 0.000 0.492 256 S N 0.337 116.038 115.700 0.002 0.000 3.593 256 S HA 0.030 4.527 4.470 0.044 0.000 0.224 256 S C 0.335 174.939 174.600 0.005 0.000 1.333 256 S CA -0.578 57.625 58.200 0.004 0.000 1.164 256 S CB -1.035 62.167 63.200 0.005 0.000 1.281 256 S HN 0.297 nan 8.310 nan 0.000 0.457 257 S N 2.782 118.485 115.700 0.004 0.000 2.465 257 S HA 0.168 4.665 4.470 0.044 0.000 0.307 257 S C 0.246 174.853 174.600 0.011 0.000 1.187 257 S CA -0.271 57.932 58.200 0.005 0.000 1.141 257 S CB -0.228 62.973 63.200 0.001 0.000 1.108 257 S HN 0.628 nan 8.310 nan 0.000 0.525 258 T N 4.481 119.044 114.554 0.015 0.000 2.856 258 T HA 0.308 4.685 4.350 0.044 0.000 0.292 258 T C -0.069 174.649 174.700 0.030 0.000 0.980 258 T CA -0.299 61.817 62.100 0.027 0.000 1.091 258 T CB 1.259 70.147 68.868 0.033 0.000 0.936 258 T HN 0.488 nan 8.240 nan 0.000 0.503 259 S N 2.970 118.694 115.700 0.039 0.000 2.596 259 S HA 0.586 5.083 4.470 0.044 0.000 0.318 259 S C -1.167 173.472 174.600 0.065 0.000 1.097 259 S CA -0.798 57.425 58.200 0.039 0.000 1.080 259 S CB 0.236 63.452 63.200 0.027 0.000 0.991 259 S HN 0.867 nan 8.310 nan 0.000 0.471 260 D N 3.319 123.763 120.400 0.074 0.000 2.946 260 D HA 0.133 4.800 4.640 0.044 0.000 0.337 260 D C 0.812 177.167 176.300 0.092 0.000 1.332 260 D CA -0.772 53.289 54.000 0.102 0.000 0.935 260 D CB -0.242 40.646 40.800 0.146 0.000 1.440 260 D HN 0.396 nan 8.370 nan 0.000 0.540 261 L N 0.037 121.319 121.223 0.098 0.000 2.046 261 L HA 0.013 4.380 4.340 0.044 0.000 0.208 261 L C 2.092 179.031 176.870 0.114 0.000 1.077 261 L CA 1.658 56.545 54.840 0.078 0.000 0.747 261 L CB -1.125 40.949 42.059 0.025 0.000 0.896 261 L HN 0.546 nan 8.230 nan 0.000 0.432 262 L N -0.311 121.022 121.223 0.185 0.000 1.970 262 L HA -0.222 4.145 4.340 0.044 0.000 0.212 262 L C 2.823 179.717 176.870 0.040 0.000 1.071 262 L CA 2.431 57.338 54.840 0.112 0.000 0.751 262 L CB -1.257 40.867 42.059 0.108 0.000 0.889 262 L HN 0.645 nan 8.230 nan 0.000 0.432 263 S N -0.924 114.800 115.700 0.040 0.000 2.368 263 S HA -0.104 4.393 4.470 0.044 0.000 0.225 263 S C 2.152 176.740 174.600 -0.021 0.000 1.030 263 S CA 0.935 59.138 58.200 0.005 0.000 0.999 263 S CB -1.722 61.486 63.200 0.014 0.000 0.844 263 S HN 0.536 nan 8.310 nan 0.000 0.459 264 G N 2.090 110.885 108.800 -0.008 0.000 2.446 264 G HA2 -0.100 3.887 3.960 0.044 0.000 0.217 264 G HA3 -0.100 3.887 3.960 0.044 0.000 0.217 264 G C 1.505 176.354 174.900 -0.085 0.000 1.168 264 G CA 1.077 46.158 45.100 -0.032 0.000 0.771 264 G HN 0.522 nan 8.290 nan 0.000 0.551 265 L N -0.075 121.104 121.223 -0.073 0.000 2.083 265 L HA 0.031 4.398 4.340 0.044 0.000 0.209 265 L C 2.829 179.573 176.870 -0.210 0.000 1.083 265 L CA 0.395 55.149 54.840 -0.143 0.000 0.752 265 L CB -0.341 41.674 42.059 -0.073 0.000 0.899 265 L HN 0.172 nan 8.230 nan 0.000 0.433 266 L N -0.391 120.751 121.223 -0.135 0.000 2.275 266 L HA -0.148 4.219 4.340 0.044 0.000 0.215 266 L C 2.581 179.350 176.870 -0.169 0.000 1.119 266 L CA 1.236 55.995 54.840 -0.135 0.000 0.790 266 L CB -0.437 41.576 42.059 -0.077 0.000 0.919 266 L HN 0.381 nan 8.230 nan 0.000 0.443 267 S N -0.634 114.961 115.700 -0.175 0.000 2.603 267 S HA 0.198 4.695 4.470 0.044 0.000 0.220 267 S C 1.030 175.458 174.600 -0.287 0.000 0.967 267 S CA -0.044 58.050 58.200 -0.177 0.000 0.920 267 S CB -0.209 62.921 63.200 -0.116 0.000 0.773 267 S HN 0.209 nan 8.310 nan 0.000 0.529 268 A N 1.427 123.951 122.820 -0.493 0.000 2.477 268 A HA 0.571 4.917 4.320 0.044 0.000 0.246 268 A C -0.165 176.981 177.584 -0.730 0.000 1.078 268 A CA -0.307 51.161 52.037 -0.949 0.000 0.770 268 A CB 0.285 18.192 19.000 -1.821 0.000 1.011 268 A HN 0.475 nan 8.150 nan 0.000 0.494 269 V N 3.559 123.166 119.914 -0.512 0.000 2.483 269 V HA 0.250 4.397 4.120 0.044 0.000 0.297 269 V C -0.546 175.576 176.094 0.047 0.000 1.027 269 V CA -0.534 61.632 62.300 -0.223 0.000 0.855 269 V CB 0.818 32.602 31.823 -0.064 0.000 0.995 269 V HN 0.848 nan 8.190 nan 0.000 0.424 270 Y N 2.739 123.130 120.300 0.151 0.000 2.459 270 Y HA 0.082 4.660 4.550 0.047 0.000 0.349 270 Y C 1.946 177.930 175.900 0.140 0.000 1.266 270 Y CA 0.045 58.279 58.100 0.223 0.000 1.483 270 Y CB 0.538 39.083 38.460 0.141 0.000 1.362 270 Y HN 0.526 nan 8.280 nan 0.000 0.628 271 R N 0.552 121.226 120.500 0.290 0.000 2.139 271 R HA -0.196 4.171 4.340 0.044 0.000 0.243 271 R C 1.223 177.597 176.300 0.123 0.000 1.145 271 R CA 1.721 57.912 56.100 0.152 0.000 0.976 271 R CB -0.342 30.015 30.300 0.094 0.000 0.866 271 R HN 0.756 nan 8.270 nan 0.000 0.449 272 D N -1.080 119.402 120.400 0.137 0.000 2.352 272 D HA 0.005 4.672 4.640 0.044 0.000 0.232 272 D C 1.072 177.431 176.300 0.098 0.000 1.055 272 D CA 0.891 54.946 54.000 0.092 0.000 0.891 272 D CB 0.097 40.932 40.800 0.059 0.000 0.897 272 D HN 0.313 nan 8.370 nan 0.000 0.529 273 G N -0.134 108.736 108.800 0.117 0.000 2.199 273 G HA2 -0.273 3.714 3.960 0.044 0.000 0.254 273 G HA3 -0.273 3.714 3.960 0.044 0.000 0.254 273 G C 0.484 175.435 174.900 0.084 0.000 0.982 273 G CA 0.606 45.756 45.100 0.082 0.000 0.632 273 G HN 0.839 nan 8.290 nan 0.000 0.529 274 T N 0.033 114.673 114.554 0.144 0.000 2.909 274 T HA 0.718 5.095 4.350 0.044 0.000 0.286 274 T C -2.136 172.632 174.700 0.114 0.000 1.002 274 T CA -1.320 60.865 62.100 0.143 0.000 1.074 274 T CB 3.099 72.077 68.868 0.182 0.000 0.984 274 T HN 0.214 nan 8.240 nan 0.000 0.495 275 P HA 0.297 nan 4.420 nan 0.000 0.281 275 P C -0.318 176.887 177.300 -0.160 0.000 1.264 275 P CA -1.117 61.900 63.100 -0.139 0.000 0.824 275 P CB 0.793 32.429 31.700 -0.106 0.000 1.092 276 M N 1.676 121.038 119.600 -0.396 0.000 2.252 276 M HA 0.072 4.579 4.480 0.044 0.000 0.348 276 M C 0.580 176.847 176.300 -0.057 0.000 1.334 276 M CA 0.301 55.444 55.300 -0.262 0.000 1.071 276 M CB 0.153 32.517 32.600 -0.393 0.000 1.763 276 M HN 0.445 nan 8.290 nan 0.000 0.452 277 S N 4.893 120.632 115.700 0.066 0.000 2.603 277 S HA 0.140 4.636 4.470 0.044 0.000 0.268 277 S C 1.055 175.684 174.600 0.049 0.000 1.317 277 S CA -0.918 57.324 58.200 0.071 0.000 1.012 277 S CB 0.950 64.228 63.200 0.129 0.000 0.926 277 S HN 0.952 nan 8.310 nan 0.000 0.539 278 L N 1.083 122.334 121.223 0.047 0.000 2.042 278 L HA -0.176 4.191 4.340 0.044 0.000 0.210 278 L C 2.704 179.610 176.870 0.059 0.000 1.076 278 L CA 2.171 57.031 54.840 0.033 0.000 0.749 278 L CB -0.869 41.206 42.059 0.026 0.000 0.893 278 L HN 1.006 nan 8.230 nan 0.000 0.432 279 H N 0.350 119.428 119.070 0.014 0.000 2.292 279 H HA -0.283 4.298 4.556 0.043 0.000 0.292 279 H C 1.973 177.323 175.328 0.036 0.000 1.100 279 H CA 2.613 58.677 56.048 0.026 0.000 1.238 279 H CB 0.148 29.930 29.762 0.033 0.000 1.355 279 H HN 0.500 nan 8.280 nan 0.000 0.484 280 E N -0.304 119.889 120.200 -0.012 0.000 2.072 280 E HA -0.106 4.270 4.350 0.044 0.000 0.191 280 E C 2.583 179.152 176.600 -0.052 0.000 0.985 280 E CA 1.097 57.473 56.400 -0.039 0.000 0.801 280 E CB 0.108 29.869 29.700 0.102 0.000 0.750 280 E HN 0.235 nan 8.360 nan 0.000 0.452 281 V N 1.023 120.918 119.914 -0.032 0.000 2.332 281 V HA -0.339 3.807 4.120 0.044 0.000 0.248 281 V C 2.484 178.567 176.094 -0.018 0.000 1.055 281 V CA 1.690 63.971 62.300 -0.030 0.000 1.038 281 V CB -0.504 31.300 31.823 -0.032 0.000 0.651 281 V HN 0.551 nan 8.190 nan 0.000 0.450 282 C N 1.000 120.279 119.300 -0.034 0.000 2.413 282 C HA -0.137 4.350 4.460 0.044 0.000 0.276 282 C C 3.014 177.995 174.990 -0.016 0.000 1.236 282 C CA 1.178 60.182 59.018 -0.024 0.000 1.735 282 C CB -1.571 26.145 27.740 -0.040 0.000 2.031 282 C HN 0.645 nan 8.230 nan 0.000 0.474 283 G N 0.071 108.815 108.800 -0.093 0.000 2.440 283 G HA2 -0.204 3.782 3.960 0.044 0.000 0.218 283 G HA3 -0.204 3.782 3.960 0.044 0.000 0.218 283 G C 1.521 176.381 174.900 -0.067 0.000 1.154 283 G CA 1.198 46.258 45.100 -0.068 0.000 0.767 283 G HN 0.440 nan 8.290 nan 0.000 0.552 284 M N 0.278 119.833 119.600 -0.075 0.000 2.200 284 M HA 0.208 4.715 4.480 0.044 0.000 0.265 284 M C 2.596 178.891 176.300 -0.007 0.000 1.066 284 M CA 0.471 55.719 55.300 -0.086 0.000 1.127 284 M CB -0.955 31.614 32.600 -0.051 0.000 1.379 284 M HN 0.227 nan 8.290 nan 0.000 0.420 285 I N -0.625 119.984 120.570 0.066 0.000 2.179 285 I HA -0.270 3.927 4.170 0.044 0.000 0.242 285 I C 2.345 178.591 176.117 0.215 0.000 1.088 285 I CA 0.972 62.377 61.300 0.176 0.000 1.357 285 I CB -0.444 37.697 38.000 0.236 0.000 1.051 285 I HN 0.012 nan 8.210 nan 0.000 0.409 286 V N 1.049 121.089 119.914 0.209 0.000 2.343 286 V HA -0.304 3.843 4.120 0.044 0.000 0.247 286 V C 2.724 179.008 176.094 0.318 0.000 1.051 286 V CA 2.019 64.504 62.300 0.308 0.000 1.036 286 V CB -0.935 31.076 31.823 0.313 0.000 0.654 286 V HN 0.503 nan 8.190 nan 0.000 0.451 287 A N -0.091 122.794 122.820 0.108 0.000 1.908 287 A HA -0.153 4.194 4.320 0.044 0.000 0.218 287 A C 2.423 180.049 177.584 0.070 0.000 1.181 287 A CA 2.201 54.194 52.037 -0.074 0.000 0.627 287 A CB -0.788 17.858 19.000 -0.591 0.000 0.818 287 A HN 0.580 nan 8.150 nan 0.000 0.445 288 A N -1.053 121.800 122.820 0.055 0.000 1.902 288 A HA -0.103 4.244 4.320 0.044 0.000 0.217 288 A C 2.190 179.833 177.584 0.098 0.000 1.181 288 A CA 2.007 54.081 52.037 0.062 0.000 0.623 288 A CB -0.439 18.570 19.000 0.016 0.000 0.818 288 A HN 0.425 nan 8.150 nan 0.000 0.443 289 M N -2.093 117.572 119.600 0.108 0.000 2.156 289 M HA 0.047 4.553 4.480 0.044 0.000 0.264 289 M C 2.085 178.408 176.300 0.038 0.000 1.067 289 M CA 1.023 56.328 55.300 0.009 0.000 1.131 289 M CB -1.433 31.111 32.600 -0.094 0.000 1.368 289 M HN 0.476 nan 8.290 nan 0.000 0.416 290 F N 0.992 120.977 119.950 0.058 0.000 2.069 290 F HA -0.235 4.321 4.527 0.048 0.000 0.298 290 F C 2.497 178.360 175.800 0.105 0.000 1.113 290 F CA 1.960 60.018 58.000 0.096 0.000 1.214 290 F CB -0.315 38.819 39.000 0.223 0.000 0.978 290 F HN 0.174 nan 8.300 nan 0.000 0.474 291 A N -0.231 122.827 122.820 0.396 0.000 1.883 291 A HA -0.135 4.211 4.320 0.044 0.000 0.217 291 A C 2.399 180.109 177.584 0.210 0.000 1.186 291 A CA 1.912 54.133 52.037 0.307 0.000 0.624 291 A CB -1.701 17.448 19.000 0.248 0.000 0.822 291 A HN 0.472 nan 8.150 nan 0.000 0.444 292 G N -1.473 107.417 108.800 0.150 0.000 2.464 292 G HA2 -0.036 3.951 3.960 0.044 0.000 0.217 292 G HA3 -0.036 3.951 3.960 0.044 0.000 0.217 292 G C 1.540 176.458 174.900 0.030 0.000 1.138 292 G CA 1.125 46.298 45.100 0.121 0.000 0.793 292 G HN 0.527 nan 8.290 nan 0.000 0.539 293 Q N 0.638 120.398 119.800 -0.067 0.000 1.942 293 Q HA -0.147 4.220 4.340 0.044 0.000 0.203 293 Q C 2.357 178.281 176.000 -0.127 0.000 0.987 293 Q CA 1.724 57.413 55.803 -0.191 0.000 0.844 293 Q CB -0.571 27.929 28.738 -0.397 0.000 0.911 293 Q HN 0.534 nan 8.270 nan 0.000 0.423 294 H N -0.396 118.671 119.070 -0.004 0.000 2.333 294 H HA -0.035 4.547 4.556 0.044 0.000 0.302 294 H C 2.209 177.564 175.328 0.045 0.000 1.075 294 H CA 2.148 58.201 56.048 0.009 0.000 1.348 294 H CB -1.047 28.731 29.762 0.027 0.000 1.393 294 H HN 0.601 nan 8.280 nan 0.000 0.509 295 T N -0.721 113.962 114.554 0.215 0.000 2.653 295 T HA -0.176 4.200 4.350 0.044 0.000 0.268 295 T C 2.333 177.122 174.700 0.148 0.000 1.035 295 T CA 2.026 64.238 62.100 0.186 0.000 1.154 295 T CB -0.639 68.352 68.868 0.205 0.000 0.862 295 T HN 0.178 nan 8.240 nan 0.000 0.441 296 S N 1.425 117.188 115.700 0.106 0.000 2.387 296 S HA -0.028 4.469 4.470 0.044 0.000 0.226 296 S C 2.545 177.161 174.600 0.026 0.000 1.026 296 S CA 1.033 59.268 58.200 0.059 0.000 0.972 296 S CB -0.531 62.656 63.200 -0.022 0.000 0.814 296 S HN 0.625 nan 8.310 nan 0.000 0.477 297 S N 1.936 117.641 115.700 0.010 0.000 2.353 297 S HA -0.056 4.441 4.470 0.044 0.000 0.222 297 S C 1.830 176.422 174.600 -0.013 0.000 1.035 297 S CA 1.254 59.442 58.200 -0.021 0.000 1.025 297 S CB -0.479 62.718 63.200 -0.004 0.000 0.902 297 S HN 0.395 nan 8.310 nan 0.000 0.440 298 I N 1.396 121.984 120.570 0.030 0.000 2.163 298 I HA -0.214 3.982 4.170 0.044 0.000 0.243 298 I C 2.553 178.751 176.117 0.134 0.000 1.085 298 I CA 1.246 62.560 61.300 0.023 0.000 1.347 298 I CB -0.775 37.285 38.000 0.100 0.000 1.044 298 I HN 0.282 nan 8.210 nan 0.000 0.408 299 T N -0.089 114.573 114.554 0.181 0.000 2.720 299 T HA -0.179 4.197 4.350 0.044 0.000 0.268 299 T C 1.892 176.701 174.700 0.181 0.000 1.037 299 T CA 2.080 64.317 62.100 0.228 0.000 1.144 299 T CB -0.454 68.530 68.868 0.194 0.000 0.864 299 T HN 0.398 nan 8.240 nan 0.000 0.444 300 T N 1.915 116.523 114.554 0.089 0.000 2.684 300 T HA -0.129 4.248 4.350 0.044 0.000 0.267 300 T C 2.290 176.999 174.700 0.015 0.000 1.036 300 T CA 1.740 63.867 62.100 0.046 0.000 1.148 300 T CB -0.784 68.073 68.868 -0.018 0.000 0.863 300 T HN 0.417 nan 8.240 nan 0.000 0.436 301 T N 0.434 114.960 114.554 -0.047 0.000 2.674 301 T HA -0.108 4.269 4.350 0.044 0.000 0.265 301 T C 1.636 176.261 174.700 -0.126 0.000 1.039 301 T CA 1.199 63.208 62.100 -0.152 0.000 1.150 301 T CB -0.597 68.113 68.868 -0.263 0.000 0.864 301 T HN 0.538 nan 8.240 nan 0.000 0.427 302 W N 1.477 122.714 121.300 -0.105 0.000 2.342 302 W HA -0.137 4.549 4.660 0.044 0.000 0.297 302 W C 3.015 179.431 176.519 -0.172 0.000 1.213 302 W CA 0.627 57.866 57.345 -0.176 0.000 1.251 302 W CB -0.365 29.078 29.460 -0.027 0.000 1.136 302 W HN 0.170 nan 8.180 nan 0.000 0.526 303 S N 0.161 115.999 115.700 0.231 0.000 2.368 303 S HA -0.221 4.275 4.470 0.044 0.000 0.225 303 S C 1.740 176.393 174.600 0.089 0.000 1.030 303 S CA 1.569 59.883 58.200 0.192 0.000 0.999 303 S CB -0.494 62.846 63.200 0.234 0.000 0.844 303 S HN 0.225 nan 8.310 nan 0.000 0.459 304 M N 0.756 120.402 119.600 0.077 0.000 2.086 304 M HA -0.074 4.433 4.480 0.044 0.000 0.261 304 M C 2.035 178.329 176.300 -0.010 0.000 1.067 304 M CA 1.349 56.698 55.300 0.081 0.000 1.116 304 M CB -0.738 31.760 32.600 -0.171 0.000 1.348 304 M HN 0.251 nan 8.290 nan 0.000 0.407 305 L N -0.832 120.307 121.223 -0.140 0.000 2.012 305 L HA -0.275 4.091 4.340 0.044 0.000 0.210 305 L C 2.713 179.452 176.870 -0.219 0.000 1.073 305 L CA 1.258 55.986 54.840 -0.187 0.000 0.748 305 L CB -1.194 40.709 42.059 -0.262 0.000 0.891 305 L HN 0.375 nan 8.230 nan 0.000 0.431 306 H N -0.187 118.698 119.070 -0.307 0.000 2.321 306 H HA -0.107 4.476 4.556 0.044 0.000 0.300 306 H C 2.402 177.499 175.328 -0.386 0.000 1.087 306 H CA 1.487 57.141 56.048 -0.656 0.000 1.319 306 H CB -0.251 28.345 29.762 -1.945 0.000 1.379 306 H HN 0.304 nan 8.280 nan 0.000 0.501 307 L N 0.892 122.027 121.223 -0.147 0.000 2.201 307 L HA -0.133 4.234 4.340 0.044 0.000 0.212 307 L C 2.648 179.577 176.870 0.099 0.000 1.105 307 L CA 0.853 55.699 54.840 0.010 0.000 0.775 307 L CB -0.234 41.788 42.059 -0.061 0.000 0.913 307 L HN 0.289 nan 8.230 nan 0.000 0.440 308 M N -2.174 117.536 119.600 0.183 0.000 2.541 308 M HA 0.011 4.517 4.480 0.044 0.000 0.252 308 M C 0.796 177.194 176.300 0.162 0.000 1.125 308 M CA 0.495 55.937 55.300 0.236 0.000 1.091 308 M CB -0.568 32.203 32.600 0.284 0.000 1.420 308 M HN 0.039 nan 8.290 nan 0.000 0.486 309 H N 2.824 121.932 119.070 0.065 0.000 2.886 309 H HA 0.161 4.744 4.556 0.045 0.000 0.329 309 H C -1.882 173.498 175.328 0.087 0.000 1.044 309 H CA -0.687 55.400 56.048 0.064 0.000 1.456 309 H CB 0.891 30.686 29.762 0.054 0.000 1.464 309 H HN -0.025 nan 8.280 nan 0.000 0.573 310 P HA -0.203 nan 4.420 nan 0.000 0.216 310 P C 1.055 178.431 177.300 0.126 0.000 1.150 310 P CA 1.878 64.959 63.100 -0.033 0.000 0.837 310 P CB -0.023 31.602 31.700 -0.126 0.000 0.786 311 A N -0.345 122.670 122.820 0.325 0.000 2.084 311 A HA -0.195 4.152 4.320 0.044 0.000 0.221 311 A C 1.686 179.431 177.584 0.268 0.000 1.161 311 A CA 1.675 53.904 52.037 0.321 0.000 0.653 311 A CB -1.049 18.180 19.000 0.382 0.000 0.802 311 A HN 0.191 nan 8.150 nan 0.000 0.457 312 N N -0.622 118.267 118.700 0.315 0.000 2.275 312 N HA 0.093 4.860 4.740 0.044 0.000 0.236 312 N C 1.028 176.668 175.510 0.217 0.000 1.154 312 N CA 0.338 53.610 53.050 0.369 0.000 0.866 312 N CB 0.721 39.528 38.487 0.533 0.000 1.093 312 N HN 0.213 nan 8.380 nan 0.000 0.515 313 V N 0.955 120.938 119.914 0.115 0.000 2.453 313 V HA -0.238 3.909 4.120 0.044 0.000 0.252 313 V C 2.004 178.094 176.094 -0.006 0.000 1.068 313 V CA 1.769 64.101 62.300 0.054 0.000 1.070 313 V CB -0.102 31.741 31.823 0.033 0.000 0.664 313 V HN 0.189 nan 8.190 nan 0.000 0.461 314 K N -0.938 119.405 120.400 -0.096 0.000 2.103 314 K HA -0.102 4.244 4.320 0.044 0.000 0.204 314 K C 1.976 178.469 176.600 -0.180 0.000 1.052 314 K CA 1.465 57.637 56.287 -0.191 0.000 0.945 314 K CB -0.536 31.789 32.500 -0.293 0.000 0.722 314 K HN 0.635 nan 8.250 nan 0.000 0.443 315 H N 0.623 119.774 119.070 0.135 0.000 2.363 315 H HA -0.064 4.519 4.556 0.045 0.000 0.301 315 H C 2.129 177.571 175.328 0.190 0.000 1.074 315 H CA 0.721 56.927 56.048 0.263 0.000 1.354 315 H CB -0.381 29.688 29.762 0.511 0.000 1.397 315 H HN 0.027 nan 8.280 nan 0.000 0.516 316 L N 1.567 122.910 121.223 0.200 0.000 2.042 316 L HA -0.150 4.217 4.340 0.044 0.000 0.210 316 L C 2.453 179.303 176.870 -0.032 0.000 1.076 316 L CA 1.837 56.682 54.840 0.009 0.000 0.749 316 L CB -0.554 41.481 42.059 -0.040 0.000 0.893 316 L HN 0.240 nan 8.230 nan 0.000 0.432 317 E N -0.530 119.647 120.200 -0.038 0.000 2.077 317 E HA -0.251 4.125 4.350 0.044 0.000 0.193 317 E C 2.058 178.576 176.600 -0.136 0.000 0.989 317 E CA 1.185 57.540 56.400 -0.075 0.000 0.800 317 E CB -0.187 29.466 29.700 -0.078 0.000 0.746 317 E HN 0.613 nan 8.360 nan 0.000 0.452 318 A N 1.186 123.867 122.820 -0.233 0.000 1.902 318 A HA -0.176 4.171 4.320 0.044 0.000 0.217 318 A C 2.154 179.536 177.584 -0.337 0.000 1.181 318 A CA 1.397 53.155 52.037 -0.466 0.000 0.623 318 A CB -0.662 17.684 19.000 -1.090 0.000 0.818 318 A HN 0.396 nan 8.150 nan 0.000 0.443 319 L N -0.414 120.751 121.223 -0.096 0.000 2.027 319 L HA -0.112 4.255 4.340 0.044 0.000 0.206 319 L C 2.456 179.321 176.870 -0.008 0.000 1.074 319 L CA 1.762 56.657 54.840 0.091 0.000 0.745 319 L CB -0.494 41.653 42.059 0.147 0.000 0.898 319 L HN 0.252 nan 8.230 nan 0.000 0.433 320 R N -0.128 120.349 120.500 -0.038 0.000 2.091 320 R HA -0.139 4.228 4.340 0.044 0.000 0.238 320 R C 2.267 178.518 176.300 -0.083 0.000 1.136 320 R CA 1.224 57.305 56.100 -0.032 0.000 0.959 320 R CB -0.479 29.812 30.300 -0.015 0.000 0.856 320 R HN 0.418 nan 8.270 nan 0.000 0.437 321 K N 0.739 121.074 120.400 -0.108 0.000 2.057 321 K HA -0.173 4.173 4.320 0.044 0.000 0.206 321 K C 1.968 178.468 176.600 -0.167 0.000 1.050 321 K CA 1.010 57.221 56.287 -0.127 0.000 0.935 321 K CB -0.105 32.318 32.500 -0.129 0.000 0.715 321 K HN 0.285 nan 8.250 nan 0.000 0.439 322 E N 1.166 121.268 120.200 -0.165 0.000 2.118 322 E HA -0.185 4.192 4.350 0.044 0.000 0.195 322 E C 1.805 178.111 176.600 -0.490 0.000 0.992 322 E CA 1.439 57.730 56.400 -0.182 0.000 0.804 322 E CB -0.040 29.643 29.700 -0.028 0.000 0.741 322 E HN 0.463 nan 8.360 nan 0.000 0.458 323 I N -2.375 117.878 120.570 -0.528 0.000 3.956 323 I HA 0.209 4.406 4.170 0.044 0.000 0.333 323 I C 1.777 177.519 176.117 -0.626 0.000 1.302 323 I CA 0.072 60.782 61.300 -0.982 0.000 1.122 323 I CB 0.206 38.033 38.000 -0.288 0.000 1.013 323 I HN -0.076 nan 8.210 nan 0.000 0.405 324 E N 2.754 122.747 120.200 -0.346 0.000 2.118 324 E HA -0.239 4.138 4.350 0.044 0.000 0.195 324 E C 1.564 178.105 176.600 -0.098 0.000 0.992 324 E CA 1.847 58.154 56.400 -0.155 0.000 0.804 324 E CB -0.104 29.531 29.700 -0.107 0.000 0.741 324 E HN 0.687 nan 8.360 nan 0.000 0.458 325 E N -0.835 119.292 120.200 -0.121 0.000 2.465 325 E HA 0.101 4.477 4.350 0.044 0.000 0.195 325 E C -0.288 176.421 176.600 0.181 0.000 1.028 325 E CA -0.411 56.002 56.400 0.021 0.000 0.899 325 E CB 0.090 29.806 29.700 0.026 0.000 1.032 325 E HN 0.254 nan 8.360 nan 0.000 0.468 326 F N 3.085 123.062 119.950 0.045 0.000 2.459 326 F HA 0.133 4.686 4.527 0.044 0.000 0.346 326 F C -1.287 174.542 175.800 0.048 0.000 1.128 326 F CA -2.408 55.621 58.000 0.049 0.000 1.268 326 F CB 0.257 39.292 39.000 0.059 0.000 1.161 326 F HN -0.055 nan 8.300 nan 0.000 0.583 327 P HA 0.026 nan 4.420 nan 0.000 0.272 327 P C -0.062 177.316 177.300 0.131 0.000 1.230 327 P CA -0.133 63.047 63.100 0.134 0.000 0.788 327 P CB 0.738 32.486 31.700 0.080 0.000 0.949 328 A N 2.041 124.920 122.820 0.099 0.000 1.940 328 A HA -0.190 4.157 4.320 0.044 0.000 0.219 328 A C 1.029 178.662 177.584 0.082 0.000 1.176 328 A CA 1.427 53.519 52.037 0.091 0.000 0.631 328 A CB -0.868 18.173 19.000 0.069 0.000 0.814 328 A HN 0.714 nan 8.150 nan 0.000 0.446 329 Q N 0.386 120.226 119.800 0.067 0.000 2.430 329 Q HA 0.581 4.948 4.340 0.044 0.000 0.245 329 Q C -0.927 175.094 176.000 0.035 0.000 1.021 329 Q CA -0.312 55.523 55.803 0.055 0.000 0.867 329 Q CB 1.353 30.119 28.738 0.048 0.000 1.210 329 Q HN 0.477 nan 8.270 nan 0.000 0.487 330 L N 2.504 123.740 121.223 0.022 0.000 2.483 330 L HA 0.093 4.459 4.340 0.044 0.000 0.275 330 L C 0.487 177.337 176.870 -0.034 0.000 1.220 330 L CA 0.055 54.865 54.840 -0.049 0.000 0.833 330 L CB 0.023 42.041 42.059 -0.068 0.000 1.102 330 L HN 0.727 nan 8.230 nan 0.000 0.490 331 N N -0.421 118.234 118.700 -0.074 0.000 2.701 331 N HA 0.111 4.878 4.740 0.044 0.000 0.290 331 N C 0.411 175.924 175.510 0.006 0.000 1.338 331 N CA -0.795 52.257 53.050 0.003 0.000 0.799 331 N CB 0.257 38.759 38.487 0.025 0.000 1.491 331 N HN 0.521 nan 8.380 nan 0.000 0.540 332 Y N 0.300 120.592 120.300 -0.013 0.000 2.165 332 Y HA -0.172 4.405 4.550 0.044 0.000 0.286 332 Y C 1.340 177.236 175.900 -0.005 0.000 1.155 332 Y CA 1.962 60.074 58.100 0.021 0.000 1.164 332 Y CB -0.366 38.125 38.460 0.052 0.000 0.978 332 Y HN 0.505 nan 8.280 nan 0.000 0.513 333 N N 0.857 119.557 118.700 -0.000 0.000 2.069 333 N HA -0.217 4.549 4.740 0.044 0.000 0.191 333 N C 1.351 176.736 175.510 -0.208 0.000 1.031 333 N CA 1.591 54.585 53.050 -0.094 0.000 0.852 333 N CB -0.701 37.801 38.487 0.025 0.000 1.018 333 N HN 0.508 nan 8.380 nan 0.000 0.423 334 N N 0.770 119.298 118.700 -0.287 0.000 2.069 334 N HA -0.095 4.671 4.740 0.044 0.000 0.191 334 N C 1.924 177.176 175.510 -0.431 0.000 1.031 334 N CA 0.879 53.581 53.050 -0.579 0.000 0.852 334 N CB -0.560 37.302 38.487 -1.042 0.000 1.018 334 N HN 0.094 nan 8.380 nan 0.000 0.423 335 V N 0.668 120.393 119.914 -0.316 0.000 2.446 335 V HA -0.032 4.114 4.120 0.044 0.000 0.244 335 V C 2.236 178.241 176.094 -0.148 0.000 1.039 335 V CA 1.053 63.254 62.300 -0.165 0.000 1.045 335 V CB -0.302 31.451 31.823 -0.118 0.000 0.681 335 V HN 0.142 nan 8.190 nan 0.000 0.459 336 M N -0.130 119.286 119.600 -0.307 0.000 2.334 336 M HA -0.009 4.498 4.480 0.044 0.000 0.266 336 M C 1.319 177.496 176.300 -0.205 0.000 1.082 336 M CA 1.635 56.741 55.300 -0.324 0.000 1.141 336 M CB -0.140 31.982 32.600 -0.796 0.000 1.380 336 M HN 0.254 nan 8.290 nan 0.000 0.440 337 D N -1.010 119.273 120.400 -0.195 0.000 2.422 337 D HA 0.067 4.734 4.640 0.044 0.000 0.218 337 D C 0.652 176.957 176.300 0.009 0.000 1.047 337 D CA 0.559 54.517 54.000 -0.071 0.000 0.885 337 D CB 0.150 40.919 40.800 -0.052 0.000 1.035 337 D HN 0.450 nan 8.370 nan 0.000 0.502 338 E N -0.130 120.095 120.200 0.041 0.000 2.558 338 E HA 0.278 4.655 4.350 0.044 0.000 0.205 338 E C 0.327 177.098 176.600 0.284 0.000 1.006 338 E CA -0.026 56.481 56.400 0.178 0.000 0.961 338 E CB 0.721 30.587 29.700 0.277 0.000 1.044 338 E HN 0.051 nan 8.360 nan 0.000 0.465 339 M N 1.330 121.045 119.600 0.192 0.000 3.075 339 M HA 0.171 4.678 4.480 0.044 0.000 0.340 339 M C -1.991 174.393 176.300 0.140 0.000 1.329 339 M CA -1.324 54.104 55.300 0.214 0.000 0.778 339 M CB 0.998 33.734 32.600 0.226 0.000 1.389 339 M HN -0.092 nan 8.290 nan 0.000 0.499 340 P HA -0.157 nan 4.420 nan 0.000 0.218 340 P C 1.243 178.604 177.300 0.101 0.000 1.149 340 P CA 1.285 64.438 63.100 0.088 0.000 0.817 340 P CB 0.046 31.795 31.700 0.082 0.000 0.785 341 F N 1.368 121.330 119.950 0.020 0.000 2.187 341 F HA 0.105 4.659 4.527 0.045 0.000 0.295 341 F C 2.411 178.226 175.800 0.024 0.000 1.091 341 F CA 1.266 59.270 58.000 0.006 0.000 1.308 341 F CB -0.742 38.265 39.000 0.011 0.000 1.030 341 F HN -0.104 nan 8.300 nan 0.000 0.487 342 A N -0.118 122.769 122.820 0.111 0.000 1.972 342 A HA -0.236 4.111 4.320 0.044 0.000 0.219 342 A C 2.100 179.670 177.584 -0.024 0.000 1.169 342 A CA 1.820 53.891 52.037 0.057 0.000 0.635 342 A CB -0.948 18.152 19.000 0.168 0.000 0.810 342 A HN 0.547 nan 8.150 nan 0.000 0.446 343 E N -0.148 120.041 120.200 -0.019 0.000 2.077 343 E HA -0.195 4.181 4.350 0.044 0.000 0.193 343 E C 2.199 178.726 176.600 -0.122 0.000 0.989 343 E CA 1.288 57.669 56.400 -0.032 0.000 0.800 343 E CB -0.126 29.568 29.700 -0.011 0.000 0.746 343 E HN 0.592 nan 8.360 nan 0.000 0.452 344 R N -0.340 120.017 120.500 -0.239 0.000 2.081 344 R HA -0.130 4.237 4.340 0.044 0.000 0.235 344 R C 2.557 178.585 176.300 -0.453 0.000 1.131 344 R CA 1.443 57.314 56.100 -0.382 0.000 0.960 344 R CB -0.530 29.481 30.300 -0.482 0.000 0.856 344 R HN 0.351 nan 8.270 nan 0.000 0.436 345 C N -0.022 119.001 119.300 -0.462 0.000 2.413 345 C HA -0.105 4.382 4.460 0.044 0.000 0.276 345 C C 2.944 177.984 174.990 0.083 0.000 1.236 345 C CA 0.865 59.781 59.018 -0.170 0.000 1.735 345 C CB -1.032 26.726 27.740 0.030 0.000 2.031 345 C HN 0.603 nan 8.230 nan 0.000 0.474 346 A N 0.678 123.532 122.820 0.056 0.000 1.902 346 A HA -0.179 4.168 4.320 0.044 0.000 0.217 346 A C 2.223 179.862 177.584 0.092 0.000 1.181 346 A CA 1.496 53.611 52.037 0.129 0.000 0.623 346 A CB -0.512 18.566 19.000 0.130 0.000 0.818 346 A HN 0.685 nan 8.150 nan 0.000 0.443 347 R N -0.826 119.663 120.500 -0.020 0.000 2.092 347 R HA -0.112 4.254 4.340 0.044 0.000 0.231 347 R C 2.187 178.364 176.300 -0.206 0.000 1.119 347 R CA 1.404 57.435 56.100 -0.116 0.000 0.970 347 R CB -0.235 29.875 30.300 -0.318 0.000 0.864 347 R HN 0.601 nan 8.270 nan 0.000 0.440 348 E N 0.795 120.830 120.200 -0.275 0.000 2.204 348 E HA -0.082 4.294 4.350 0.044 0.000 0.194 348 E C 1.625 178.154 176.600 -0.117 0.000 0.989 348 E CA 1.362 57.539 56.400 -0.371 0.000 0.824 348 E CB 0.034 29.286 29.700 -0.746 0.000 0.756 348 E HN 0.081 nan 8.360 nan 0.000 0.477 349 S N -0.070 115.741 115.700 0.185 0.000 2.368 349 S HA -0.087 4.409 4.470 0.044 0.000 0.225 349 S C 1.902 176.517 174.600 0.024 0.000 1.030 349 S CA 1.227 59.571 58.200 0.240 0.000 0.999 349 S CB -0.272 63.147 63.200 0.365 0.000 0.844 349 S HN 0.319 nan 8.310 nan 0.000 0.459 350 I N 0.983 121.590 120.570 0.061 0.000 2.315 350 I HA -0.132 4.065 4.170 0.044 0.000 0.248 350 I C 2.809 178.959 176.117 0.054 0.000 1.117 350 I CA 0.818 62.150 61.300 0.054 0.000 1.404 350 I CB -0.246 37.784 38.000 0.050 0.000 1.071 350 I HN 0.158 nan 8.210 nan 0.000 0.419 351 R N 1.428 121.920 120.500 -0.012 0.000 2.070 351 R HA -0.179 4.188 4.340 0.044 0.000 0.233 351 R C 2.366 178.488 176.300 -0.297 0.000 1.137 351 R CA 1.762 57.646 56.100 -0.360 0.000 0.945 351 R CB -0.537 29.456 30.300 -0.511 0.000 0.845 351 R HN 0.279 nan 8.270 nan 0.000 0.430 352 R N 0.021 120.366 120.500 -0.259 0.000 2.081 352 R HA -0.078 4.289 4.340 0.044 0.000 0.235 352 R C -0.224 176.020 176.300 -0.093 0.000 1.131 352 R CA 1.681 57.649 56.100 -0.220 0.000 0.960 352 R CB 0.116 30.308 30.300 -0.179 0.000 0.856 352 R HN 0.179 nan 8.270 nan 0.000 0.436 353 D N 1.237 121.522 120.400 -0.192 0.000 2.513 353 D HA 0.205 4.872 4.640 0.044 0.000 0.295 353 D C -2.563 173.730 176.300 -0.011 0.000 1.202 353 D CA -1.289 52.602 54.000 -0.180 0.000 0.849 353 D CB 1.652 42.000 40.800 -0.754 0.000 1.116 353 D HN 0.242 nan 8.370 nan 0.000 0.502 354 P HA 0.090 nan 4.420 nan 0.000 0.267 354 P C -1.964 175.403 177.300 0.112 0.000 1.209 354 P CA -0.868 62.273 63.100 0.068 0.000 0.763 354 P CB 1.234 32.927 31.700 -0.011 0.000 0.816 355 P HA 0.004 nan 4.420 nan 0.000 0.223 355 P C 0.325 177.715 177.300 0.150 0.000 1.151 355 P CA 1.175 64.375 63.100 0.167 0.000 0.787 355 P CB 0.307 32.111 31.700 0.173 0.000 0.788 356 L N 0.063 121.352 121.223 0.110 0.000 2.276 356 L HA 0.282 4.649 4.340 0.044 0.000 0.286 356 L C 1.536 178.447 176.870 0.068 0.000 1.024 356 L CA -0.550 54.358 54.840 0.114 0.000 0.826 356 L CB 1.408 43.542 42.059 0.125 0.000 1.211 356 L HN -0.183 nan 8.230 nan 0.000 0.422 357 L N 2.958 124.241 121.223 0.100 0.000 2.162 357 L HA 0.186 4.553 4.340 0.044 0.000 0.205 357 L C 0.399 177.296 176.870 0.045 0.000 1.086 357 L CA 0.941 55.830 54.840 0.082 0.000 0.778 357 L CB 0.088 42.237 42.059 0.151 0.000 0.928 357 L HN 0.573 nan 8.230 nan 0.000 0.446 358 M N 0.754 120.389 119.600 0.058 0.000 2.271 358 M HA 0.399 4.905 4.480 0.044 0.000 0.285 358 M C -1.264 175.038 176.300 0.004 0.000 1.059 358 M CA -0.186 55.120 55.300 0.010 0.000 0.940 358 M CB 2.749 35.378 32.600 0.049 0.000 1.636 358 M HN -0.091 nan 8.290 nan 0.000 0.460 359 L N 3.944 125.128 121.223 -0.065 0.000 2.317 359 L HA 0.720 5.086 4.340 0.044 0.000 0.281 359 L C -0.517 176.398 176.870 0.075 0.000 1.024 359 L CA -0.392 54.477 54.840 0.049 0.000 0.810 359 L CB 1.687 43.816 42.059 0.117 0.000 1.240 359 L HN 0.698 nan 8.230 nan 0.000 0.427 360 M N 3.331 123.066 119.600 0.225 0.000 2.550 360 M HA 0.622 5.128 4.480 0.044 0.000 0.292 360 M C -0.949 175.439 176.300 0.146 0.000 1.221 360 M CA -0.779 54.637 55.300 0.194 0.000 0.873 360 M CB 2.944 35.554 32.600 0.017 0.000 1.727 360 M HN 0.474 nan 8.290 nan 0.000 0.459 361 R N 1.107 121.666 120.500 0.097 0.000 2.774 361 R HA 0.566 4.933 4.340 0.044 0.000 0.272 361 R C -1.373 174.906 176.300 -0.035 0.000 1.000 361 R CA -1.097 54.967 56.100 -0.061 0.000 0.906 361 R CB 2.011 32.170 30.300 -0.234 0.000 1.227 361 R HN 0.475 nan 8.270 nan 0.000 0.468 362 K N 0.731 121.101 120.400 -0.049 0.000 2.201 362 K HA 0.279 4.625 4.320 0.044 0.000 0.278 362 K C -0.735 175.848 176.600 -0.027 0.000 1.027 362 K CA -0.406 55.866 56.287 -0.025 0.000 0.909 362 K CB 1.197 33.690 32.500 -0.011 0.000 1.062 362 K HN 0.330 nan 8.250 nan 0.000 0.465 363 V N 6.913 126.819 119.914 -0.012 0.000 2.405 363 V HA 0.053 4.200 4.120 0.044 0.000 0.264 363 V C 0.864 176.957 176.094 -0.003 0.000 1.048 363 V CA -0.204 62.089 62.300 -0.012 0.000 0.966 363 V CB 0.918 32.741 31.823 0.001 0.000 1.015 363 V HN 0.856 nan 8.190 nan 0.000 0.477 364 M N 3.502 123.098 119.600 -0.006 0.000 2.509 364 M HA 0.392 4.899 4.480 0.044 0.000 0.250 364 M C 0.566 176.872 176.300 0.010 0.000 1.132 364 M CA 0.407 55.713 55.300 0.010 0.000 1.080 364 M CB -0.240 32.370 32.600 0.017 0.000 1.408 364 M HN 0.715 nan 8.290 nan 0.000 0.484 365 A N -0.213 122.610 122.820 0.005 0.000 2.605 365 A HA 0.503 4.850 4.320 0.044 0.000 0.294 365 A C -1.335 176.254 177.584 0.009 0.000 1.062 365 A CA -0.969 51.073 52.037 0.008 0.000 0.682 365 A CB 0.771 19.776 19.000 0.007 0.000 1.278 365 A HN 0.136 nan 8.150 nan 0.000 0.410 366 D N 0.973 121.382 120.400 0.014 0.000 2.583 366 D HA 0.329 4.995 4.640 0.044 0.000 0.232 366 D C 0.313 176.624 176.300 0.019 0.000 1.128 366 D CA 1.132 55.144 54.000 0.020 0.000 0.859 366 D CB 0.709 41.522 40.800 0.023 0.000 1.169 366 D HN 1.058 nan 8.370 nan 0.000 0.481 367 V N -0.546 119.383 119.914 0.025 0.000 2.709 367 V HA 0.508 4.655 4.120 0.044 0.000 0.308 367 V C -0.303 175.817 176.094 0.043 0.000 1.062 367 V CA -1.257 61.059 62.300 0.026 0.000 0.901 367 V CB 1.997 33.829 31.823 0.016 0.000 1.003 367 V HN 0.247 nan 8.190 nan 0.000 0.425 368 K N 3.278 123.704 120.400 0.043 0.000 2.258 368 K HA 0.692 5.039 4.320 0.044 0.000 0.284 368 K C -1.107 175.532 176.600 0.066 0.000 1.051 368 K CA -0.214 56.105 56.287 0.053 0.000 0.923 368 K CB 1.253 33.773 32.500 0.035 0.000 1.046 368 K HN 0.754 nan 8.250 nan 0.000 0.474 369 V N 5.270 125.242 119.914 0.097 0.000 2.482 369 V HA 0.547 4.693 4.120 0.044 0.000 0.295 369 V C 0.776 176.951 176.094 0.135 0.000 1.026 369 V CA -0.090 62.279 62.300 0.115 0.000 0.856 369 V CB 0.566 32.466 31.823 0.129 0.000 1.001 369 V HN 1.074 nan 8.190 nan 0.000 0.424 370 G N 5.233 114.082 108.800 0.081 0.000 2.611 370 G HA2 -0.309 3.678 3.960 0.044 0.000 0.301 370 G HA3 -0.309 3.678 3.960 0.044 0.000 0.301 370 G C 1.011 175.857 174.900 -0.090 0.000 1.233 370 G CA 0.585 45.698 45.100 0.022 0.000 0.993 370 G HN 0.888 nan 8.290 nan 0.000 0.553 371 S N 0.446 115.959 115.700 -0.311 0.000 2.603 371 S HA 0.322 4.818 4.470 0.044 0.000 0.220 371 S C 0.279 174.579 174.600 -0.501 0.000 0.967 371 S CA 0.945 58.855 58.200 -0.483 0.000 0.920 371 S CB -0.107 62.667 63.200 -0.710 0.000 0.773 371 S HN 0.442 nan 8.310 nan 0.000 0.529 372 Y N -0.095 120.221 120.300 0.027 0.000 2.549 372 Y HA 0.574 5.149 4.550 0.042 0.000 0.339 372 Y C -0.054 175.861 175.900 0.023 0.000 1.053 372 Y CA -1.319 56.797 58.100 0.027 0.000 1.105 372 Y CB 1.002 39.481 38.460 0.032 0.000 1.258 372 Y HN -0.263 nan 8.280 nan 0.000 0.478 373 V N 3.190 123.223 119.914 0.198 0.000 2.370 373 V HA 0.269 4.416 4.120 0.044 0.000 0.279 373 V C -0.484 175.673 176.094 0.104 0.000 1.029 373 V CA -0.872 61.498 62.300 0.117 0.000 0.870 373 V CB 1.118 32.989 31.823 0.080 0.000 0.984 373 V HN 0.509 nan 8.190 nan 0.000 0.451 374 V N 8.641 128.603 119.914 0.079 0.000 2.385 374 V HA 0.317 4.463 4.120 0.044 0.000 0.269 374 V C -1.890 174.226 176.094 0.037 0.000 1.043 374 V CA -1.520 60.810 62.300 0.049 0.000 0.906 374 V CB 1.299 33.146 31.823 0.040 0.000 0.995 374 V HN 0.731 nan 8.190 nan 0.000 0.467 375 P HA 0.189 nan 4.420 nan 0.000 0.281 375 P C -0.387 176.926 177.300 0.022 0.000 1.249 375 P CA -0.808 62.309 63.100 0.028 0.000 0.810 375 P CB 0.992 32.709 31.700 0.028 0.000 1.008 376 K N 1.099 121.511 120.400 0.019 0.000 2.548 376 K HA 0.007 4.353 4.320 0.044 0.000 0.277 376 K C 1.160 177.771 176.600 0.018 0.000 1.001 376 K CA 1.637 57.934 56.287 0.017 0.000 1.102 376 K CB -0.792 31.718 32.500 0.017 0.000 0.848 376 K HN 0.833 nan 8.250 nan 0.000 0.487 377 G N 3.015 111.825 108.800 0.016 0.000 2.254 377 G HA2 -0.218 3.768 3.960 0.044 0.000 0.225 377 G HA3 -0.218 3.768 3.960 0.044 0.000 0.225 377 G C -0.258 174.654 174.900 0.021 0.000 1.003 377 G CA 0.147 45.257 45.100 0.018 0.000 0.622 377 G HN 0.713 nan 8.290 nan 0.000 0.507 378 D N 0.526 120.939 120.400 0.021 0.000 2.368 378 D HA 0.494 5.161 4.640 0.044 0.000 0.240 378 D C 0.976 177.291 176.300 0.025 0.000 1.169 378 D CA -0.007 54.008 54.000 0.025 0.000 0.906 378 D CB 0.686 41.497 40.800 0.020 0.000 1.187 378 D HN 0.340 nan 8.370 nan 0.000 0.435 379 I N 2.018 122.610 120.570 0.038 0.000 2.371 379 I HA 0.202 4.398 4.170 0.044 0.000 0.290 379 I C 0.330 176.471 176.117 0.040 0.000 1.028 379 I CA -0.354 60.968 61.300 0.037 0.000 1.345 379 I CB 0.768 38.806 38.000 0.063 0.000 1.407 379 I HN 0.159 nan 8.210 nan 0.000 0.501 380 I N 6.191 126.797 120.570 0.060 0.000 2.437 380 I HA 0.685 4.882 4.170 0.044 0.000 0.298 380 I C -0.225 176.000 176.117 0.180 0.000 0.984 380 I CA -0.145 61.212 61.300 0.094 0.000 1.214 380 I CB 1.221 39.296 38.000 0.126 0.000 1.365 380 I HN 0.696 nan 8.210 nan 0.000 0.469 381 A N 6.179 128.996 122.820 -0.005 0.000 2.498 381 A HA 0.716 5.062 4.320 0.044 0.000 0.298 381 A C -1.691 175.526 177.584 -0.612 0.000 1.075 381 A CA -0.484 51.417 52.037 -0.228 0.000 0.714 381 A CB 1.652 20.564 19.000 -0.146 0.000 1.299 381 A HN 0.766 nan 8.150 nan 0.000 0.407 382 C N 1.037 119.730 119.300 -1.012 0.000 2.551 382 C HA 0.792 5.278 4.460 0.044 0.000 0.332 382 C C -0.097 174.582 174.990 -0.519 0.000 1.139 382 C CA -0.163 58.328 59.018 -0.877 0.000 1.328 382 C CB 0.650 27.485 27.740 -1.509 0.000 1.903 382 C HN 1.151 nan 8.230 nan 0.000 0.459 383 S N 6.198 121.728 115.700 -0.282 0.000 2.498 383 S HA 0.512 5.009 4.470 0.044 0.000 0.324 383 S C -1.775 172.698 174.600 -0.211 0.000 1.071 383 S CA -1.105 56.990 58.200 -0.175 0.000 1.113 383 S CB 1.379 64.535 63.200 -0.073 0.000 0.976 383 S HN 0.682 nan 8.310 nan 0.000 0.462 384 P HA -0.101 nan 4.420 nan 0.000 0.218 384 P C 1.508 178.438 177.300 -0.617 0.000 1.148 384 P CA 0.467 63.176 63.100 -0.653 0.000 0.822 384 P CB 0.118 31.466 31.700 -0.588 0.000 0.784 385 L N -0.877 120.205 121.223 -0.234 0.000 1.994 385 L HA -0.145 4.222 4.340 0.044 0.000 0.208 385 L C 2.167 179.078 176.870 0.068 0.000 1.071 385 L CA 1.800 56.615 54.840 -0.042 0.000 0.745 385 L CB -1.539 40.487 42.059 -0.055 0.000 0.892 385 L HN -0.130 nan 8.230 nan 0.000 0.431 386 L N -0.907 120.316 121.223 -0.001 0.000 1.994 386 L HA -0.185 4.182 4.340 0.044 0.000 0.208 386 L C 2.517 179.474 176.870 0.146 0.000 1.071 386 L CA 2.229 57.106 54.840 0.062 0.000 0.745 386 L CB -0.921 41.168 42.059 0.050 0.000 0.892 386 L HN 0.339 nan 8.230 nan 0.000 0.431 387 S N -1.225 114.549 115.700 0.124 0.000 2.382 387 S HA -0.176 4.320 4.470 0.044 0.000 0.228 387 S C 1.747 176.588 174.600 0.401 0.000 1.027 387 S CA 1.126 59.485 58.200 0.265 0.000 0.991 387 S CB -0.632 62.794 63.200 0.377 0.000 0.823 387 S HN 0.566 nan 8.310 nan 0.000 0.469 388 H N 0.385 119.509 119.070 0.090 0.000 2.559 388 H HA 0.128 4.711 4.556 0.046 0.000 0.273 388 H C 1.002 176.108 175.328 -0.369 0.000 1.000 388 H CA 0.612 56.500 56.048 -0.267 0.000 1.195 388 H CB -0.159 29.331 29.762 -0.454 0.000 1.368 388 H HN 0.525 nan 8.280 nan 0.000 0.592 389 H N -0.603 118.570 119.070 0.172 0.000 2.592 389 H HA 0.054 4.637 4.556 0.044 0.000 0.279 389 H C 0.061 175.479 175.328 0.150 0.000 1.089 389 H CA -0.237 55.885 56.048 0.124 0.000 1.150 389 H CB 1.026 30.814 29.762 0.044 0.000 1.575 389 H HN 0.307 nan 8.280 nan 0.000 0.547 390 D N 1.893 122.460 120.400 0.278 0.000 2.401 390 D HA -0.048 4.619 4.640 0.044 0.000 0.254 390 D C 0.683 177.071 176.300 0.146 0.000 1.192 390 D CA 0.247 54.356 54.000 0.182 0.000 0.885 390 D CB 1.100 41.986 40.800 0.144 0.000 1.147 390 D HN 0.388 nan 8.370 nan 0.000 0.478 391 E N 2.677 122.934 120.200 0.095 0.000 2.358 391 E HA -0.130 4.246 4.350 0.044 0.000 0.195 391 E C 1.410 178.026 176.600 0.026 0.000 1.010 391 E CA 0.252 56.695 56.400 0.071 0.000 0.856 391 E CB 0.371 30.106 29.700 0.058 0.000 0.795 391 E HN 0.649 nan 8.360 nan 0.000 0.504 392 E N 1.052 121.257 120.200 0.007 0.000 2.028 392 E HA -0.165 4.212 4.350 0.044 0.000 0.191 392 E C 2.048 178.576 176.600 -0.120 0.000 0.988 392 E CA 0.986 57.369 56.400 -0.029 0.000 0.799 392 E CB -0.010 29.692 29.700 0.003 0.000 0.755 392 E HN 0.175 nan 8.360 nan 0.000 0.447 393 A N 0.208 122.910 122.820 -0.198 0.000 1.898 393 A HA -0.038 4.309 4.320 0.044 0.000 0.216 393 A C 0.575 177.710 177.584 -0.749 0.000 1.181 393 A CA 0.878 52.600 52.037 -0.524 0.000 0.620 393 A CB -0.115 18.529 19.000 -0.593 0.000 0.819 393 A HN 0.277 nan 8.150 nan 0.000 0.442 394 F N -0.231 119.695 119.950 -0.041 0.000 2.824 394 F HA 0.365 4.917 4.527 0.043 0.000 0.375 394 F C -2.826 172.943 175.800 -0.053 0.000 1.190 394 F CA -2.432 55.528 58.000 -0.068 0.000 1.180 394 F CB 1.486 40.422 39.000 -0.107 0.000 1.477 394 F HN -0.083 nan 8.300 nan 0.000 0.542 395 P HA 0.033 nan 4.420 nan 0.000 0.271 395 P C -0.062 177.268 177.300 0.050 0.000 1.216 395 P CA 0.250 63.378 63.100 0.047 0.000 0.776 395 P CB 0.556 32.265 31.700 0.015 0.000 0.881 396 E N 1.631 121.860 120.200 0.048 0.000 2.230 396 E HA -0.169 4.207 4.350 0.044 0.000 0.206 396 E C -1.376 175.247 176.600 0.039 0.000 1.309 396 E CA -0.011 56.415 56.400 0.044 0.000 0.697 396 E CB -0.625 29.093 29.700 0.030 0.000 1.146 396 E HN 0.475 nan 8.360 nan 0.000 0.363 397 P HA -0.127 nan 4.420 nan 0.000 0.223 397 P C 1.059 178.353 177.300 -0.010 0.000 1.151 397 P CA 0.664 63.753 63.100 -0.017 0.000 0.787 397 P CB 0.221 31.909 31.700 -0.020 0.000 0.788 398 R N -0.141 120.413 120.500 0.091 0.000 2.276 398 R HA 0.044 4.410 4.340 0.044 0.000 0.203 398 R C 1.337 177.666 176.300 0.048 0.000 1.017 398 R CA 0.058 56.214 56.100 0.093 0.000 1.010 398 R CB -0.894 29.466 30.300 0.100 0.000 0.900 398 R HN 0.267 nan 8.270 nan 0.000 0.469 399 R N 0.671 121.188 120.500 0.028 0.000 2.296 399 R HA -0.027 4.340 4.340 0.044 0.000 0.323 399 R C -0.890 175.405 176.300 -0.007 0.000 1.067 399 R CA -0.339 55.779 56.100 0.030 0.000 0.946 399 R CB 0.189 30.505 30.300 0.026 0.000 0.991 399 R HN -0.027 nan 8.270 nan 0.000 0.448 400 W N 6.255 127.431 121.300 -0.205 0.000 2.419 400 W HA 0.105 4.791 4.660 0.044 0.000 0.312 400 W C -0.857 175.504 176.519 -0.263 0.000 1.323 400 W CA -0.016 57.111 57.345 -0.364 0.000 1.293 400 W CB 0.604 29.661 29.460 -0.672 0.000 1.324 400 W HN 0.520 nan 8.180 nan 0.000 0.512 401 D N 8.756 128.739 120.400 -0.694 0.000 2.336 401 D HA 0.235 4.902 4.640 0.044 0.000 0.248 401 D C -1.564 174.201 176.300 -0.891 0.000 1.326 401 D CA -2.162 51.440 54.000 -0.664 0.000 0.973 401 D CB 1.853 42.500 40.800 -0.255 0.000 1.255 401 D HN 0.114 nan 8.370 nan 0.000 0.558 402 P HA -0.124 nan 4.420 nan 0.000 0.219 402 P C 0.738 177.717 177.300 -0.535 0.000 1.146 402 P CA 0.841 63.321 63.100 -1.034 0.000 0.808 402 P CB 0.522 31.459 31.700 -1.271 0.000 0.779 403 E N 0.163 120.175 120.200 -0.313 0.000 2.482 403 E HA -0.062 4.315 4.350 0.044 0.000 0.196 403 E C 1.152 177.677 176.600 -0.125 0.000 1.047 403 E CA 0.151 56.489 56.400 -0.103 0.000 0.869 403 E CB -0.360 29.365 29.700 0.042 0.000 0.836 403 E HN 0.534 nan 8.360 nan 0.000 0.520 404 R N 1.456 121.845 120.500 -0.186 0.000 2.738 404 R HA 0.160 4.527 4.340 0.044 0.000 0.268 404 R C -0.298 175.936 176.300 -0.111 0.000 1.062 404 R CA 0.202 56.228 56.100 -0.125 0.000 1.158 404 R CB 0.551 30.782 30.300 -0.115 0.000 1.046 404 R HN -0.307 nan 8.270 nan 0.000 0.493 405 D N 0.710 121.069 120.400 -0.068 0.000 2.671 405 D HA 0.088 4.754 4.640 0.044 0.000 0.232 405 D C -0.605 175.655 176.300 -0.067 0.000 1.114 405 D CA -0.648 53.314 54.000 -0.064 0.000 0.858 405 D CB 1.812 42.572 40.800 -0.066 0.000 1.544 405 D HN 0.711 nan 8.370 nan 0.000 0.471 406 E N 0.193 120.352 120.200 -0.069 0.000 2.437 406 E HA 0.050 4.426 4.350 0.044 0.000 0.263 406 E C -0.071 176.357 176.600 -0.288 0.000 1.030 406 E CA 0.109 56.322 56.400 -0.310 0.000 0.934 406 E CB 1.158 30.732 29.700 -0.210 0.000 0.943 406 E HN 0.259 nan 8.360 nan 0.000 0.444 407 K N 1.355 121.514 120.400 -0.402 0.000 2.358 407 K HA 0.171 4.518 4.320 0.044 0.000 0.200 407 K C -0.650 175.823 176.600 -0.213 0.000 1.030 407 K CA -0.083 56.060 56.287 -0.240 0.000 1.097 407 K CB 1.078 33.457 32.500 -0.201 0.000 0.862 407 K HN 0.303 nan 8.250 nan 0.000 0.534 408 V N 1.993 121.729 119.914 -0.298 0.000 2.444 408 V HA 0.134 4.281 4.120 0.044 0.000 0.294 408 V C -0.485 175.494 176.094 -0.192 0.000 1.022 408 V CA -1.061 61.083 62.300 -0.259 0.000 0.850 408 V CB 1.626 33.172 31.823 -0.462 0.000 0.992 408 V HN 0.114 nan 8.190 nan 0.000 0.426 409 E N 3.587 123.731 120.200 -0.093 0.000 2.415 409 E HA 0.395 4.772 4.350 0.044 0.000 0.263 409 E C 1.191 177.797 176.600 0.010 0.000 0.995 409 E CA 1.320 57.704 56.400 -0.026 0.000 0.915 409 E CB 0.565 30.268 29.700 0.006 0.000 0.951 409 E HN 1.088 nan 8.360 nan 0.000 0.449 410 G N 2.850 111.695 108.800 0.076 0.000 2.162 410 G HA2 -0.342 3.645 3.960 0.044 0.000 0.260 410 G HA3 -0.342 3.645 3.960 0.044 0.000 0.260 410 G C 0.936 176.021 174.900 0.308 0.000 0.976 410 G CA 0.649 45.850 45.100 0.169 0.000 0.655 410 G HN 0.869 nan 8.290 nan 0.000 0.533 411 A N -0.468 122.478 122.820 0.210 0.000 1.968 411 A HA 0.466 4.813 4.320 0.044 0.000 0.217 411 A C 1.050 179.032 177.584 0.664 0.000 1.169 411 A CA 1.174 53.413 52.037 0.337 0.000 0.638 411 A CB -0.130 18.861 19.000 -0.016 0.000 0.812 411 A HN 1.296 nan 8.150 nan 0.000 0.446 412 F N 1.418 121.651 119.950 0.471 0.000 2.533 412 F HA 0.355 4.911 4.527 0.047 0.000 0.378 412 F C 0.604 176.553 175.800 0.249 0.000 1.070 412 F CA -0.276 57.916 58.000 0.319 0.000 1.172 412 F CB 0.447 39.529 39.000 0.136 0.000 1.085 412 F HN 0.262 nan 8.300 nan 0.000 0.552 413 I N 3.330 123.715 120.570 -0.309 0.000 3.621 413 I HA 0.382 4.578 4.170 0.044 0.000 0.325 413 I C 1.421 177.220 176.117 -0.530 0.000 1.554 413 I CA -0.124 60.932 61.300 -0.408 0.000 1.053 413 I CB 0.154 37.957 38.000 -0.329 0.000 1.302 413 I HN 0.623 nan 8.210 nan 0.000 0.518 414 G N 1.615 109.735 108.800 -1.133 0.000 2.475 414 G HA2 -0.201 3.786 3.960 0.044 0.000 0.220 414 G HA3 -0.201 3.786 3.960 0.044 0.000 0.220 414 G C 0.950 175.511 174.900 -0.565 0.000 1.125 414 G CA 1.043 45.666 45.100 -0.796 0.000 0.755 414 G HN 0.523 nan 8.290 nan 0.000 0.565 415 F N 1.031 120.928 119.950 -0.089 0.000 2.647 415 F HA 0.416 4.969 4.527 0.043 0.000 0.300 415 F C 1.671 177.484 175.800 0.022 0.000 1.106 415 F CA 0.014 58.047 58.000 0.055 0.000 1.313 415 F CB 0.594 39.678 39.000 0.139 0.000 1.007 415 F HN 0.398 nan 8.300 nan 0.000 0.536 416 G N 1.438 110.267 108.800 0.048 0.000 2.645 416 G HA2 0.119 4.106 3.960 0.044 0.000 0.246 416 G HA3 0.119 4.106 3.960 0.044 0.000 0.246 416 G C -0.541 174.201 174.900 -0.265 0.000 1.322 416 G CA -0.438 44.653 45.100 -0.016 0.000 0.898 416 G HN 1.013 nan 8.290 nan 0.000 0.573 417 A N -2.641 120.000 122.820 -0.298 0.000 2.544 417 A HA 1.029 5.376 4.320 0.044 0.000 0.291 417 A C 1.272 178.874 177.584 0.031 0.000 1.055 417 A CA 1.230 53.090 52.037 -0.294 0.000 0.651 417 A CB 0.489 19.064 19.000 -0.709 0.000 1.296 417 A HN 3.187 nan 8.150 nan 0.000 0.431 418 G N -0.744 108.091 108.800 0.058 0.000 2.591 418 G HA2 -0.098 3.889 3.960 0.044 0.000 0.298 418 G HA3 -0.098 3.889 3.960 0.044 0.000 0.298 418 G C 1.184 176.118 174.900 0.057 0.000 1.195 418 G CA 1.435 46.599 45.100 0.107 0.000 0.989 418 G HN 1.846 nan 8.290 nan 0.000 0.551 419 V N 0.858 120.785 119.914 0.022 0.000 2.407 419 V HA -0.047 4.100 4.120 0.044 0.000 0.248 419 V C 1.747 177.632 176.094 -0.349 0.000 1.055 419 V CA 2.533 64.722 62.300 -0.185 0.000 1.049 419 V CB -0.459 31.202 31.823 -0.270 0.000 0.662 419 V HN 0.674 nan 8.190 nan 0.000 0.455 420 H N 0.098 119.244 119.070 0.126 0.000 2.510 420 H HA 0.227 4.807 4.556 0.040 0.000 0.266 420 H C 0.690 176.128 175.328 0.182 0.000 1.146 420 H CA -0.445 55.697 56.048 0.157 0.000 0.993 420 H CB 0.166 30.029 29.762 0.169 0.000 1.727 420 H HN 0.584 nan 8.280 nan 0.000 0.590 421 K N 0.257 120.773 120.400 0.194 0.000 2.440 421 K HA 0.023 4.369 4.320 0.044 0.000 0.270 421 K C 0.305 177.012 176.600 0.178 0.000 0.980 421 K CA -0.268 56.121 56.287 0.169 0.000 0.953 421 K CB 0.718 33.273 32.500 0.092 0.000 0.925 421 K HN 0.054 nan 8.250 nan 0.000 0.497 422 C N 4.925 124.351 119.300 0.210 0.000 2.633 422 C HA 0.099 4.585 4.460 0.044 0.000 0.415 422 C C 1.781 176.846 174.990 0.125 0.000 1.393 422 C CA -0.567 58.580 59.018 0.214 0.000 1.700 422 C CB -1.594 26.340 27.740 0.324 0.000 2.541 422 C HN 0.946 nan 8.230 nan 0.000 0.603 423 I N 3.511 124.150 120.570 0.115 0.000 3.419 423 I HA 0.297 4.494 4.170 0.044 0.000 0.286 423 I C 1.592 177.766 176.117 0.095 0.000 1.268 423 I CA 1.177 62.522 61.300 0.074 0.000 1.414 423 I CB -0.366 37.663 38.000 0.048 0.000 1.074 423 I HN 0.680 nan 8.210 nan 0.000 0.457 424 G N 1.429 110.310 108.800 0.135 0.000 3.126 424 G HA2 0.025 4.012 3.960 0.044 0.000 0.224 424 G HA3 0.025 4.012 3.960 0.044 0.000 0.224 424 G C 1.450 176.458 174.900 0.180 0.000 1.142 424 G CA 0.267 45.486 45.100 0.199 0.000 0.759 424 G HN 0.609 nan 8.290 nan 0.000 0.550 425 Q N 0.829 120.635 119.800 0.011 0.000 2.084 425 Q HA -0.065 4.301 4.340 0.044 0.000 0.202 425 Q C 1.972 177.887 176.000 -0.141 0.000 0.978 425 Q CA 1.169 56.789 55.803 -0.305 0.000 0.844 425 Q CB -0.324 27.822 28.738 -0.987 0.000 0.898 425 Q HN 0.311 nan 8.270 nan 0.000 0.426 426 K N -0.013 120.411 120.400 0.041 0.000 2.097 426 K HA -0.106 4.241 4.320 0.044 0.000 0.205 426 K C 1.854 178.660 176.600 0.343 0.000 1.050 426 K CA 1.411 57.827 56.287 0.216 0.000 0.938 426 K CB -0.216 32.459 32.500 0.292 0.000 0.718 426 K HN 0.146 nan 8.250 nan 0.000 0.442 427 F N 1.380 121.464 119.950 0.223 0.000 2.113 427 F HA -0.041 4.513 4.527 0.044 0.000 0.297 427 F C 2.113 177.893 175.800 -0.034 0.000 1.103 427 F CA 1.606 59.633 58.000 0.045 0.000 1.248 427 F CB -0.798 38.283 39.000 0.136 0.000 0.999 427 F HN -0.005 nan 8.300 nan 0.000 0.475 428 G N 0.888 109.677 108.800 -0.017 0.000 2.476 428 G HA2 -0.254 3.733 3.960 0.044 0.000 0.218 428 G HA3 -0.254 3.733 3.960 0.044 0.000 0.218 428 G C 1.766 176.611 174.900 -0.092 0.000 1.164 428 G CA 1.291 46.334 45.100 -0.096 0.000 0.768 428 G HN 0.440 nan 8.290 nan 0.000 0.560 429 L N -0.400 120.816 121.223 -0.011 0.000 2.217 429 L HA 0.106 4.472 4.340 0.044 0.000 0.211 429 L C 2.637 179.478 176.870 -0.049 0.000 1.107 429 L CA 0.019 54.870 54.840 0.018 0.000 0.783 429 L CB -0.297 41.791 42.059 0.049 0.000 0.919 429 L HN 0.193 nan 8.230 nan 0.000 0.442 430 L N -0.150 121.002 121.223 -0.118 0.000 2.042 430 L HA -0.266 4.101 4.340 0.044 0.000 0.210 430 L C 2.598 179.337 176.870 -0.217 0.000 1.076 430 L CA 1.853 56.580 54.840 -0.187 0.000 0.749 430 L CB -0.367 41.463 42.059 -0.382 0.000 0.893 430 L HN 0.258 nan 8.230 nan 0.000 0.432 431 Q N -1.438 118.162 119.800 -0.334 0.000 2.046 431 Q HA -0.178 4.188 4.340 0.044 0.000 0.200 431 Q C 2.190 178.096 176.000 -0.157 0.000 0.975 431 Q CA 1.932 57.548 55.803 -0.313 0.000 0.836 431 Q CB -0.294 28.165 28.738 -0.465 0.000 0.896 431 Q HN 0.448 nan 8.270 nan 0.000 0.428 432 V N 1.318 121.172 119.914 -0.100 0.000 2.287 432 V HA -0.291 3.856 4.120 0.044 0.000 0.248 432 V C 2.033 178.144 176.094 0.029 0.000 1.053 432 V CA 1.965 64.256 62.300 -0.014 0.000 1.027 432 V CB -0.427 31.422 31.823 0.043 0.000 0.646 432 V HN 0.289 nan 8.190 nan 0.000 0.447 433 K N -0.341 120.075 120.400 0.027 0.000 2.097 433 K HA -0.123 4.223 4.320 0.044 0.000 0.205 433 K C 2.219 178.869 176.600 0.083 0.000 1.050 433 K CA 1.799 58.130 56.287 0.073 0.000 0.938 433 K CB -0.433 32.103 32.500 0.060 0.000 0.718 433 K HN 0.472 nan 8.250 nan 0.000 0.442 434 T N 1.527 116.094 114.554 0.022 0.000 2.746 434 T HA -0.089 4.288 4.350 0.044 0.000 0.267 434 T C 1.858 176.591 174.700 0.055 0.000 1.039 434 T CA 1.113 63.230 62.100 0.029 0.000 1.142 434 T CB -0.191 68.662 68.868 -0.026 0.000 0.866 434 T HN 0.120 nan 8.240 nan 0.000 0.444 435 I N 0.767 121.350 120.570 0.021 0.000 2.179 435 I HA -0.153 4.044 4.170 0.044 0.000 0.242 435 I C 2.306 178.489 176.117 0.110 0.000 1.088 435 I CA 1.220 62.535 61.300 0.025 0.000 1.357 435 I CB -0.444 37.535 38.000 -0.035 0.000 1.051 435 I HN 0.196 nan 8.210 nan 0.000 0.409 436 L N 0.450 121.773 121.223 0.167 0.000 2.017 436 L HA -0.223 4.144 4.340 0.044 0.000 0.208 436 L C 2.888 179.996 176.870 0.397 0.000 1.073 436 L CA 1.469 56.502 54.840 0.321 0.000 0.745 436 L CB -0.785 41.472 42.059 0.330 0.000 0.894 436 L HN 0.259 nan 8.230 nan 0.000 0.432 437 A N -0.388 122.616 122.820 0.306 0.000 1.902 437 A HA -0.195 4.152 4.320 0.044 0.000 0.217 437 A C 2.351 180.113 177.584 0.296 0.000 1.181 437 A CA 2.398 54.629 52.037 0.324 0.000 0.623 437 A CB -0.879 18.327 19.000 0.344 0.000 0.818 437 A HN 0.416 nan 8.150 nan 0.000 0.443 438 T N 0.065 114.759 114.554 0.233 0.000 2.812 438 T HA 0.110 4.486 4.350 0.044 0.000 0.264 438 T C 2.256 177.117 174.700 0.268 0.000 1.042 438 T CA 1.355 63.579 62.100 0.207 0.000 1.140 438 T CB -0.420 68.528 68.868 0.133 0.000 0.870 438 T HN 0.566 nan 8.240 nan 0.000 0.445 439 A N 0.918 123.901 122.820 0.271 0.000 1.873 439 A HA 0.058 4.405 4.320 0.044 0.000 0.215 439 A C 1.932 179.739 177.584 0.373 0.000 1.186 439 A CA 1.219 53.471 52.037 0.359 0.000 0.616 439 A CB -0.981 18.135 19.000 0.194 0.000 0.823 439 A HN 0.505 nan 8.150 nan 0.000 0.442 440 F N -0.699 119.496 119.950 0.408 0.000 2.558 440 F HA 0.058 4.612 4.527 0.044 0.000 0.298 440 F C 2.342 178.283 175.800 0.235 0.000 1.119 440 F CA 0.908 59.117 58.000 0.348 0.000 1.451 440 F CB -0.006 39.163 39.000 0.281 0.000 1.091 440 F HN 0.165 nan 8.300 nan 0.000 0.563 441 R N -0.156 120.553 120.500 0.350 0.000 2.081 441 R HA -0.119 4.248 4.340 0.044 0.000 0.235 441 R C 1.603 177.987 176.300 0.139 0.000 1.131 441 R CA 1.845 58.074 56.100 0.216 0.000 0.960 441 R CB -0.190 30.224 30.300 0.189 0.000 0.856 441 R HN 0.108 nan 8.270 nan 0.000 0.436 442 S N -1.497 114.282 115.700 0.132 0.000 2.505 442 S HA 0.195 4.692 4.470 0.044 0.000 0.216 442 S C -0.888 173.476 174.600 -0.393 0.000 1.018 442 S CA -0.173 57.949 58.200 -0.130 0.000 0.911 442 S CB 0.464 63.552 63.200 -0.187 0.000 0.818 442 S HN 0.196 nan 8.310 nan 0.000 0.497 443 Y N 0.940 121.263 120.300 0.038 0.000 2.553 443 Y HA 0.506 5.083 4.550 0.045 0.000 0.347 443 Y C -0.216 175.583 175.900 -0.169 0.000 1.019 443 Y CA -1.365 56.629 58.100 -0.176 0.000 1.032 443 Y CB 1.156 39.320 38.460 -0.493 0.000 1.284 443 Y HN -0.080 nan 8.280 nan 0.000 0.466 444 D N 0.778 121.114 120.400 -0.107 0.000 2.384 444 D HA 0.552 5.219 4.640 0.044 0.000 0.250 444 D C -1.337 174.693 176.300 -0.450 0.000 1.029 444 D CA -0.068 53.913 54.000 -0.031 0.000 0.990 444 D CB 1.784 42.623 40.800 0.064 0.000 1.175 444 D HN 0.271 nan 8.370 nan 0.000 0.532 445 F N -0.185 119.832 119.950 0.112 0.000 2.613 445 F HA 0.303 4.857 4.527 0.045 0.000 0.310 445 F C -0.139 175.674 175.800 0.022 0.000 1.085 445 F CA -0.787 57.219 58.000 0.011 0.000 0.945 445 F CB 1.800 40.768 39.000 -0.053 0.000 1.298 445 F HN -0.051 nan 8.300 nan 0.000 0.455 446 Q N 2.486 122.375 119.800 0.149 0.000 2.321 446 Q HA 0.494 4.860 4.340 0.044 0.000 0.270 446 Q C -1.041 174.986 176.000 0.046 0.000 1.032 446 Q CA -0.876 54.970 55.803 0.070 0.000 0.784 446 Q CB 3.097 31.840 28.738 0.007 0.000 1.264 446 Q HN 0.558 nan 8.270 nan 0.000 0.448 447 L N 3.188 124.430 121.223 0.031 0.000 2.490 447 L HA 0.009 4.376 4.340 0.044 0.000 0.274 447 L C 0.328 177.192 176.870 -0.010 0.000 1.201 447 L CA 0.284 55.128 54.840 0.007 0.000 0.869 447 L CB 0.463 42.534 42.059 0.020 0.000 1.123 447 L HN 0.620 nan 8.230 nan 0.000 0.484 448 L N 5.085 126.299 121.223 -0.016 0.000 2.928 448 L HA 0.297 4.664 4.340 0.044 0.000 0.236 448 L C 0.282 177.145 176.870 -0.012 0.000 1.290 448 L CA 0.080 54.908 54.840 -0.020 0.000 1.099 448 L CB -0.408 41.634 42.059 -0.027 0.000 1.437 448 L HN 0.604 nan 8.230 nan 0.000 0.493 449 R N -1.184 119.316 120.500 -0.001 0.000 2.680 449 R HA 0.187 4.554 4.340 0.044 0.000 0.269 449 R C -0.241 176.078 176.300 0.032 0.000 1.026 449 R CA -0.788 55.322 56.100 0.016 0.000 0.889 449 R CB 1.912 32.227 30.300 0.024 0.000 1.241 449 R HN -0.118 nan 8.270 nan 0.000 0.463 450 D N 0.764 121.193 120.400 0.047 0.000 2.149 450 D HA -0.054 4.613 4.640 0.044 0.000 0.201 450 D C -0.088 176.331 176.300 0.197 0.000 0.972 450 D CA 1.525 55.570 54.000 0.074 0.000 0.835 450 D CB 0.481 41.322 40.800 0.069 0.000 0.966 450 D HN 0.260 nan 8.370 nan 0.000 0.476 451 E N 0.077 120.383 120.200 0.176 0.000 2.299 451 E HA 0.293 4.670 4.350 0.044 0.000 0.265 451 E C -0.040 176.643 176.600 0.138 0.000 0.911 451 E CA -0.983 55.534 56.400 0.195 0.000 0.789 451 E CB 2.494 32.255 29.700 0.103 0.000 1.246 451 E HN -0.090 nan 8.360 nan 0.000 0.427 452 V N -0.628 119.334 119.914 0.079 0.000 2.901 452 V HA 0.165 4.312 4.120 0.044 0.000 0.307 452 V C -2.215 173.925 176.094 0.077 0.000 1.084 452 V CA -1.208 61.121 62.300 0.050 0.000 1.184 452 V CB -0.520 31.288 31.823 -0.026 0.000 0.941 452 V HN 0.442 nan 8.190 nan 0.000 0.493 453 P HA 0.118 nan 4.420 nan 0.000 0.269 453 P C -0.616 176.763 177.300 0.131 0.000 1.217 453 P CA 0.191 63.290 63.100 -0.002 0.000 0.783 453 P CB 0.250 31.836 31.700 -0.190 0.000 0.898 454 D N 2.348 122.793 120.400 0.076 0.000 2.304 454 D HA 0.173 4.840 4.640 0.044 0.000 0.247 454 D C -2.068 174.290 176.300 0.096 0.000 1.089 454 D CA -1.188 52.874 54.000 0.104 0.000 0.910 454 D CB -0.139 40.681 40.800 0.032 0.000 1.199 454 D HN 0.221 nan 8.370 nan 0.000 0.426 455 P HA 0.021 nan 4.420 nan 0.000 0.269 455 P C -0.351 176.717 177.300 -0.386 0.000 1.215 455 P CA -0.117 62.918 63.100 -0.109 0.000 0.780 455 P CB 0.712 32.179 31.700 -0.388 0.000 0.898 456 D N 1.389 121.594 120.400 -0.324 0.000 2.454 456 D HA 0.129 4.796 4.640 0.044 0.000 0.225 456 D C 0.021 176.169 176.300 -0.254 0.000 1.081 456 D CA -0.593 53.266 54.000 -0.235 0.000 0.864 456 D CB -0.080 40.678 40.800 -0.071 0.000 1.040 456 D HN 0.237 nan 8.370 nan 0.000 0.517 457 Y N 1.414 121.649 120.300 -0.108 0.000 2.578 457 Y HA 0.023 4.600 4.550 0.045 0.000 0.297 457 Y C 1.538 177.373 175.900 -0.108 0.000 1.176 457 Y CA 0.234 58.268 58.100 -0.110 0.000 1.315 457 Y CB 0.075 38.442 38.460 -0.155 0.000 1.031 457 Y HN 0.576 nan 8.280 nan 0.000 0.524 458 H N -0.962 118.181 119.070 0.120 0.000 2.529 458 H HA -0.021 4.562 4.556 0.044 0.000 0.277 458 H C 1.166 176.538 175.328 0.073 0.000 0.999 458 H CA 0.864 56.966 56.048 0.089 0.000 1.256 458 H CB 0.141 29.930 29.762 0.046 0.000 1.402 458 H HN 0.149 nan 8.280 nan 0.000 0.566 459 T N -2.916 111.735 114.554 0.161 0.000 2.944 459 T HA 0.209 4.585 4.350 0.044 0.000 0.284 459 T C 1.376 176.147 174.700 0.118 0.000 1.010 459 T CA -0.812 61.350 62.100 0.104 0.000 1.025 459 T CB 1.584 70.467 68.868 0.025 0.000 1.079 459 T HN 0.047 nan 8.240 nan 0.000 0.516 460 M N 0.397 120.067 119.600 0.118 0.000 2.175 460 M HA 0.051 4.558 4.480 0.044 0.000 0.264 460 M C 0.160 176.561 176.300 0.168 0.000 1.063 460 M CA 1.078 56.471 55.300 0.156 0.000 1.119 460 M CB 0.064 32.785 32.600 0.201 0.000 1.377 460 M HN 0.392 nan 8.290 nan 0.000 0.415 461 V N 1.293 121.288 119.914 0.135 0.000 2.384 461 V HA 0.272 4.419 4.120 0.044 0.000 0.287 461 V C -0.269 175.876 176.094 0.085 0.000 1.020 461 V CA -0.843 61.544 62.300 0.145 0.000 0.850 461 V CB 1.683 33.624 31.823 0.196 0.000 0.987 461 V HN -0.113 nan 8.190 nan 0.000 0.436 462 V N 4.669 124.660 119.914 0.129 0.000 2.432 462 V HA 0.810 4.956 4.120 0.044 0.000 0.275 462 V C 0.820 176.994 176.094 0.133 0.000 1.043 462 V CA 0.326 62.694 62.300 0.114 0.000 0.925 462 V CB 1.146 33.077 31.823 0.181 0.000 0.985 462 V HN 1.002 nan 8.190 nan 0.000 0.466 463 G N 5.278 114.104 108.800 0.042 0.000 3.105 463 G HA2 0.716 4.703 3.960 0.044 0.000 0.277 463 G HA3 0.716 4.703 3.960 0.044 0.000 0.277 463 G C -3.106 171.684 174.900 -0.183 0.000 1.375 463 G CA -1.485 43.606 45.100 -0.016 0.000 0.962 463 G HN 0.511 nan 8.290 nan 0.000 0.541 464 P HA 0.150 nan 4.420 nan 0.000 0.268 464 P C 0.104 177.165 177.300 -0.399 0.000 1.205 464 P CA 0.179 62.790 63.100 -0.816 0.000 0.771 464 P CB 0.395 31.204 31.700 -1.485 0.000 0.858 465 T N 3.118 117.520 114.554 -0.253 0.000 2.792 465 T HA 0.093 4.470 4.350 0.044 0.000 0.286 465 T C 1.768 176.368 174.700 -0.167 0.000 0.970 465 T CA 0.620 62.627 62.100 -0.155 0.000 1.187 465 T CB 0.145 68.958 68.868 -0.091 0.000 0.915 465 T HN 0.450 nan 8.240 nan 0.000 0.529 466 A N 4.233 126.969 122.820 -0.139 0.000 1.892 466 A HA -0.163 4.183 4.320 0.044 0.000 0.218 466 A C 2.517 180.044 177.584 -0.096 0.000 1.188 466 A CA 2.173 54.136 52.037 -0.124 0.000 0.631 466 A CB -1.016 17.929 19.000 -0.092 0.000 0.822 466 A HN 0.890 nan 8.150 nan 0.000 0.447 467 S N -0.789 114.868 115.700 -0.072 0.000 2.469 467 S HA -0.169 4.328 4.470 0.044 0.000 0.238 467 S C 1.542 176.107 174.600 -0.058 0.000 0.998 467 S CA 1.371 59.539 58.200 -0.053 0.000 0.957 467 S CB -0.381 62.796 63.200 -0.038 0.000 0.764 467 S HN 0.713 nan 8.310 nan 0.000 0.514 468 Q N -0.677 119.075 119.800 -0.079 0.000 2.319 468 Q HA 0.275 4.642 4.340 0.044 0.000 0.202 468 Q C 0.556 176.495 176.000 -0.102 0.000 0.896 468 Q CA -0.007 55.749 55.803 -0.078 0.000 0.942 468 Q CB 0.117 28.810 28.738 -0.075 0.000 1.083 468 Q HN 0.592 nan 8.270 nan 0.000 0.510 469 C N 1.494 120.720 119.300 -0.123 0.000 2.525 469 C HA 0.245 4.731 4.460 0.044 0.000 0.313 469 C C 0.572 175.503 174.990 -0.097 0.000 1.311 469 C CA -0.473 58.459 59.018 -0.144 0.000 1.725 469 C CB -1.312 26.314 27.740 -0.191 0.000 1.926 469 C HN 0.269 nan 8.230 nan 0.000 0.595 470 R N 1.334 121.793 120.500 -0.068 0.000 2.298 470 R HA 0.469 4.836 4.340 0.044 0.000 0.310 470 R C -0.133 176.140 176.300 -0.045 0.000 1.068 470 R CA 0.227 56.299 56.100 -0.046 0.000 0.957 470 R CB 0.847 31.127 30.300 -0.034 0.000 1.003 470 R HN 0.381 nan 8.270 nan 0.000 0.454 471 V N -0.510 119.381 119.914 -0.039 0.000 3.102 471 V HA 0.552 4.699 4.120 0.044 0.000 0.312 471 V C -0.846 175.229 176.094 -0.030 0.000 1.135 471 V CA -1.202 61.084 62.300 -0.023 0.000 1.022 471 V CB 2.174 33.992 31.823 -0.009 0.000 1.056 471 V HN 0.687 nan 8.190 nan 0.000 0.436 472 K N 2.204 122.582 120.400 -0.037 0.000 2.213 472 K HA 0.545 4.892 4.320 0.044 0.000 0.270 472 K C -0.998 175.525 176.600 -0.127 0.000 1.002 472 K CA -0.666 55.541 56.287 -0.134 0.000 0.868 472 K CB 1.233 33.644 32.500 -0.150 0.000 1.093 472 K HN 0.899 nan 8.250 nan 0.000 0.454 473 Y N 2.474 122.596 120.300 -0.298 0.000 2.320 473 Y HA 0.605 5.182 4.550 0.044 0.000 0.324 473 Y C -0.757 174.938 175.900 -0.343 0.000 1.190 473 Y CA -1.127 56.621 58.100 -0.587 0.000 1.215 473 Y CB 0.630 38.535 38.460 -0.925 0.000 1.221 473 Y HN 0.304 nan 8.280 nan 0.000 0.486 474 I N 4.102 124.573 120.570 -0.166 0.000 2.468 474 I HA 0.331 4.528 4.170 0.044 0.000 0.284 474 I C -0.500 175.656 176.117 0.065 0.000 1.038 474 I CA -0.998 60.273 61.300 -0.048 0.000 1.083 474 I CB 1.625 39.568 38.000 -0.096 0.000 1.223 474 I HN 0.565 nan 8.210 nan 0.000 0.443 475 R N 5.485 126.066 120.500 0.134 0.000 2.570 475 R HA 0.212 4.579 4.340 0.044 0.000 0.277 475 R C -0.380 175.855 176.300 -0.108 0.000 1.039 475 R CA 0.322 56.368 56.100 -0.090 0.000 1.065 475 R CB 0.374 30.649 30.300 -0.043 0.000 0.964 475 R HN 0.473 nan 8.270 nan 0.000 0.428 476 R N 3.400 123.801 120.500 -0.166 0.000 2.490 476 R HA 0.360 4.726 4.340 0.044 0.000 0.278 476 R C -0.103 176.153 176.300 -0.072 0.000 1.069 476 R CA -0.258 55.792 56.100 -0.084 0.000 1.080 476 R CB 1.035 31.302 30.300 -0.055 0.000 1.030 476 R HN 0.585 nan 8.270 nan 0.000 0.491 477 K N 0.000 120.376 120.400 -0.041 0.000 2.780 477 K HA 0.000 4.347 4.320 0.044 0.000 0.191 477 K CA 0.000 56.268 56.287 -0.031 0.000 0.838 477 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543