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 3lxh_1_A DATA FIRST_RESID 10 DATA SEQUENCE QKHRVAPPPH VPGHLIREID AYDLDGLEQG FHEAWKRVQQ PDTPPLVWTP DATA SEQUENCE FTGGHWIATR GTLIDEIYRS PERFSSRVIW VPREAGEAYD MVPTKLDPPE DATA SEQUENCE HTPYRKAIDK GLNLAEIRKL EDQIRTIAVE IIEGFADRGH CEFGSEFSTV DATA SEQUENCE FPVRVFLALA GLPVEDATKL GLLANEMTRP SGNTPEEQGR SLEAANKGFF DATA SEQUENCE EYVAPIIAAR RGGSGTDLIT RILNVEIDGK PMPDDRALGL VSLLLLGGLD DATA SEQUENCE TVVNFLGFMM IYLSRHPETV AEMRREPLKL QRGVEELFRR FAVVSDARYV DATA SEQUENCE VSDMEFHGTM LKEGDLILLP TALHGLDDRH HDDPMTVDLS RRDVTHSTFA DATA SEQUENCE QGPHRCAGMH LARLEVTVML QEWLARIPEF RLKDRAVPIY HSGIVAAVEN DATA SEQUENCE IPLEWEPQ 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 10 Q HA 0.000 nan 4.340 nan 0.000 0.214 10 Q C 0.000 175.990 176.000 -0.016 0.000 1.003 10 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 10 Q CB 0.000 28.742 28.738 0.006 0.000 1.108 11 K N 2.692 123.080 120.400 -0.020 0.000 2.248 11 K HA 0.231 4.545 4.320 -0.009 0.000 0.281 11 K C -0.743 175.915 176.600 0.097 0.000 1.054 11 K CA -0.443 55.815 56.287 -0.049 0.000 0.903 11 K CB 0.758 33.185 32.500 -0.121 0.000 1.077 11 K HN 0.559 nan 8.250 nan 0.000 0.474 12 H N 4.670 123.755 119.070 0.025 0.000 2.800 12 H HA 0.180 4.730 4.556 -0.010 0.000 0.291 12 H C -0.535 174.926 175.328 0.222 0.000 1.076 12 H CA 0.199 56.306 56.048 0.098 0.000 1.452 12 H CB 0.368 30.166 29.762 0.061 0.000 1.461 12 H HN 0.380 nan 8.280 nan 0.000 0.488 13 R N 3.427 123.993 120.500 0.110 0.000 2.604 13 R HA 0.508 4.843 4.340 -0.009 0.000 0.287 13 R C -0.865 175.451 176.300 0.025 0.000 0.970 13 R CA -1.071 55.110 56.100 0.135 0.000 0.946 13 R CB 2.335 32.671 30.300 0.060 0.000 1.127 13 R HN 0.287 nan 8.270 nan 0.000 0.473 14 V N 1.611 121.597 119.914 0.120 0.000 2.715 14 V HA 0.513 4.627 4.120 -0.009 0.000 0.310 14 V C -0.257 175.938 176.094 0.168 0.000 1.054 14 V CA -0.723 61.669 62.300 0.154 0.000 0.928 14 V CB 1.936 33.897 31.823 0.231 0.000 1.007 14 V HN 0.957 nan 8.190 nan 0.000 0.437 15 A N 6.781 129.666 122.820 0.108 0.000 2.425 15 A HA 0.649 4.964 4.320 -0.009 0.000 0.249 15 A C -2.221 175.362 177.584 -0.001 0.000 1.084 15 A CA -1.072 50.994 52.037 0.047 0.000 0.781 15 A CB -0.109 18.886 19.000 -0.008 0.000 1.019 15 A HN 0.642 nan 8.150 nan 0.000 0.490 16 P HA 0.223 nan 4.420 nan 0.000 0.271 16 P C -2.486 174.488 177.300 -0.544 0.000 1.216 16 P CA -0.803 61.812 63.100 -0.808 0.000 0.771 16 P CB -0.068 31.123 31.700 -0.847 0.000 0.864 17 P HA 0.153 nan 4.420 nan 0.000 0.272 17 P C -2.006 175.099 177.300 -0.325 0.000 1.240 17 P CA -1.452 61.463 63.100 -0.309 0.000 0.791 17 P CB -0.522 31.077 31.700 -0.167 0.000 0.978 18 P HA -0.187 nan 4.420 nan 0.000 0.217 18 P C 1.414 178.675 177.300 -0.065 0.000 1.148 18 P CA 1.605 64.661 63.100 -0.074 0.000 0.828 18 P CB -0.502 31.204 31.700 0.010 0.000 0.783 19 H N -2.210 116.802 119.070 -0.097 0.000 2.548 19 H HA 0.108 4.659 4.556 -0.009 0.000 0.268 19 H C 0.090 175.386 175.328 -0.054 0.000 0.975 19 H CA 0.251 56.275 56.048 -0.041 0.000 1.195 19 H CB -0.705 29.066 29.762 0.016 0.000 1.397 19 H HN -0.081 nan 8.280 nan 0.000 0.572 20 V N 5.569 125.090 119.914 -0.656 0.000 2.389 20 V HA 0.182 4.297 4.120 -0.009 0.000 0.264 20 V C -1.894 173.971 176.094 -0.382 0.000 1.049 20 V CA -1.373 60.556 62.300 -0.617 0.000 0.932 20 V CB 1.121 32.186 31.823 -1.262 0.000 1.011 20 V HN 0.296 nan 8.190 nan 0.000 0.475 21 P HA 0.248 nan 4.420 nan 0.000 0.278 21 P C 1.136 178.323 177.300 -0.188 0.000 1.238 21 P CA -0.256 62.759 63.100 -0.143 0.000 0.794 21 P CB 1.286 32.966 31.700 -0.033 0.000 0.955 22 G N 1.683 110.432 108.800 -0.086 0.000 2.503 22 G HA2 -0.297 3.657 3.960 -0.009 0.000 0.221 22 G HA3 -0.297 3.657 3.960 -0.009 0.000 0.221 22 G C 1.293 176.176 174.900 -0.028 0.000 1.131 22 G CA 0.871 45.937 45.100 -0.057 0.000 0.756 22 G HN 0.825 nan 8.290 nan 0.000 0.572 23 H N -0.071 118.996 119.070 -0.005 0.000 2.546 23 H HA 0.190 4.741 4.556 -0.009 0.000 0.277 23 H C 1.868 177.221 175.328 0.041 0.000 1.004 23 H CA 0.396 56.453 56.048 0.015 0.000 1.231 23 H CB -0.276 29.496 29.762 0.018 0.000 1.382 23 H HN 0.367 nan 8.280 nan 0.000 0.580 24 L N 1.151 122.156 121.223 -0.363 0.000 2.607 24 L HA 0.265 4.600 4.340 -0.009 0.000 0.228 24 L C 0.521 177.380 176.870 -0.019 0.000 1.123 24 L CA -0.119 54.635 54.840 -0.142 0.000 0.890 24 L CB 0.214 42.230 42.059 -0.072 0.000 1.103 24 L HN 0.087 nan 8.230 nan 0.000 0.468 25 I N 0.578 121.126 120.570 -0.037 0.000 2.441 25 I HA 0.142 4.307 4.170 -0.009 0.000 0.287 25 I C 0.187 176.292 176.117 -0.020 0.000 1.049 25 I CA 0.067 61.371 61.300 0.007 0.000 1.381 25 I CB 0.816 38.820 38.000 0.006 0.000 1.409 25 I HN 0.061 nan 8.210 nan 0.000 0.523 26 R N 4.259 124.722 120.500 -0.063 0.000 2.533 26 R HA 0.265 4.600 4.340 -0.009 0.000 0.288 26 R C -1.161 175.033 176.300 -0.176 0.000 1.039 26 R CA -0.556 55.497 56.100 -0.079 0.000 0.909 26 R CB 1.513 31.798 30.300 -0.025 0.000 1.195 26 R HN 0.505 nan 8.270 nan 0.000 0.438 27 E N 4.585 124.689 120.200 -0.161 0.000 1.893 27 E HA 0.220 4.564 4.350 -0.009 0.000 0.269 27 E C -0.472 176.135 176.600 0.011 0.000 1.129 27 E CA 0.121 56.372 56.400 -0.250 0.000 0.904 27 E CB 0.436 30.017 29.700 -0.198 0.000 1.077 27 E HN 0.364 nan 8.360 nan 0.000 0.407 28 I N 2.019 122.588 120.570 -0.001 0.000 2.436 28 I HA 0.169 4.333 4.170 -0.009 0.000 0.289 28 I C -0.433 175.817 176.117 0.221 0.000 1.010 28 I CA -0.812 60.533 61.300 0.075 0.000 1.098 28 I CB 1.759 39.752 38.000 -0.013 0.000 1.266 28 I HN 0.208 nan 8.210 nan 0.000 0.434 29 D N 5.248 125.727 120.400 0.130 0.000 2.473 29 D HA 0.414 5.048 4.640 -0.009 0.000 0.226 29 D C 0.829 177.098 176.300 -0.051 0.000 1.089 29 D CA -0.344 53.697 54.000 0.070 0.000 0.883 29 D CB 1.857 42.575 40.800 -0.136 0.000 1.029 29 D HN 0.628 nan 8.370 nan 0.000 0.517 30 A N 3.415 126.237 122.820 0.003 0.000 2.024 30 A HA -0.193 4.122 4.320 -0.009 0.000 0.220 30 A C 1.368 178.847 177.584 -0.175 0.000 1.164 30 A CA 1.139 53.114 52.037 -0.102 0.000 0.643 30 A CB -0.598 18.378 19.000 -0.040 0.000 0.806 30 A HN 0.702 nan 8.150 nan 0.000 0.451 31 Y N -1.603 118.714 120.300 0.028 0.000 2.511 31 Y HA 0.169 4.712 4.550 -0.010 0.000 0.279 31 Y C 0.313 176.219 175.900 0.009 0.000 1.157 31 Y CA 0.550 58.670 58.100 0.033 0.000 1.300 31 Y CB 0.634 39.109 38.460 0.025 0.000 1.052 31 Y HN 0.319 nan 8.280 nan 0.000 0.529 32 D N -0.031 120.407 120.400 0.064 0.000 3.036 32 D HA 0.147 4.782 4.640 -0.009 0.000 0.244 32 D C -1.195 175.050 176.300 -0.092 0.000 1.337 32 D CA -0.081 53.923 54.000 0.007 0.000 0.829 32 D CB -0.208 40.591 40.800 -0.002 0.000 1.478 32 D HN -0.034 nan 8.370 nan 0.000 0.570 33 L N 1.205 122.327 121.223 -0.169 0.000 2.490 33 L HA 0.165 4.500 4.340 -0.009 0.000 0.274 33 L C 0.789 177.539 176.870 -0.200 0.000 1.201 33 L CA -0.128 54.535 54.840 -0.294 0.000 0.869 33 L CB 0.391 42.120 42.059 -0.549 0.000 1.123 33 L HN 0.310 nan 8.230 nan 0.000 0.484 34 D N 2.445 122.740 120.400 -0.176 0.000 2.520 34 D HA 0.188 4.822 4.640 -0.009 0.000 0.243 34 D C 1.043 177.263 176.300 -0.133 0.000 1.160 34 D CA 1.499 55.428 54.000 -0.119 0.000 0.877 34 D CB 0.556 41.306 40.800 -0.084 0.000 1.150 34 D HN 0.722 nan 8.370 nan 0.000 0.494 35 G N 3.108 111.853 108.800 -0.092 0.000 2.143 35 G HA2 -0.322 3.633 3.960 -0.009 0.000 0.249 35 G HA3 -0.322 3.633 3.960 -0.009 0.000 0.249 35 G C 0.954 175.798 174.900 -0.093 0.000 0.981 35 G CA 0.366 45.417 45.100 -0.081 0.000 0.665 35 G HN 0.586 nan 8.290 nan 0.000 0.528 36 L N 1.557 122.724 121.223 -0.094 0.000 2.127 36 L HA -0.013 4.321 4.340 -0.009 0.000 0.211 36 L C 2.813 179.686 176.870 0.006 0.000 1.089 36 L CA 2.929 57.726 54.840 -0.072 0.000 0.757 36 L CB -0.241 41.800 42.059 -0.029 0.000 0.899 36 L HN 0.552 nan 8.230 nan 0.000 0.434 37 E N -0.628 119.601 120.200 0.049 0.000 2.333 37 E HA -0.258 4.087 4.350 -0.009 0.000 0.198 37 E C 1.323 178.015 176.600 0.153 0.000 1.007 37 E CA 1.202 57.687 56.400 0.142 0.000 0.845 37 E CB -0.633 29.115 29.700 0.080 0.000 0.766 37 E HN 0.706 nan 8.360 nan 0.000 0.507 38 Q N 0.812 120.622 119.800 0.016 0.000 2.444 38 Q HA 0.276 4.611 4.340 -0.009 0.000 0.206 38 Q C 0.650 176.531 176.000 -0.200 0.000 0.948 38 Q CA 0.785 56.580 55.803 -0.013 0.000 0.946 38 Q CB 0.670 29.391 28.738 -0.028 0.000 1.027 38 Q HN 0.333 nan 8.270 nan 0.000 0.513 39 G N 0.790 109.232 108.800 -0.597 0.000 2.453 39 G HA2 -0.147 3.808 3.960 -0.009 0.000 0.665 39 G HA3 -0.147 3.808 3.960 -0.009 0.000 0.665 39 G C -0.533 174.075 174.900 -0.486 0.000 1.411 39 G CA -0.470 43.989 45.100 -1.069 0.000 0.889 39 G HN 0.105 nan 8.290 nan 0.000 0.651 40 F N 1.102 120.751 119.950 -0.501 0.000 2.069 40 F HA -0.085 4.435 4.527 -0.011 0.000 0.298 40 F C 2.492 178.105 175.800 -0.313 0.000 1.113 40 F CA 2.801 60.604 58.000 -0.327 0.000 1.214 40 F CB -0.050 38.751 39.000 -0.332 0.000 0.978 40 F HN 0.668 nan 8.300 nan 0.000 0.474 41 H N -0.359 118.628 119.070 -0.138 0.000 2.353 41 H HA -0.125 4.425 4.556 -0.010 0.000 0.300 41 H C 1.993 177.237 175.328 -0.141 0.000 1.090 41 H CA 1.798 57.748 56.048 -0.164 0.000 1.327 41 H CB -0.337 29.401 29.762 -0.039 0.000 1.383 41 H HN 0.269 nan 8.280 nan 0.000 0.508 42 E N 0.614 120.802 120.200 -0.019 0.000 2.085 42 E HA -0.155 4.189 4.350 -0.009 0.000 0.194 42 E C 2.365 178.900 176.600 -0.107 0.000 0.994 42 E CA 1.117 57.492 56.400 -0.043 0.000 0.801 42 E CB -0.299 29.375 29.700 -0.044 0.000 0.743 42 E HN 0.525 nan 8.360 nan 0.000 0.453 43 A N -0.111 122.581 122.820 -0.213 0.000 1.873 43 A HA -0.155 4.160 4.320 -0.009 0.000 0.215 43 A C 2.014 179.398 177.584 -0.334 0.000 1.186 43 A CA 1.239 53.102 52.037 -0.290 0.000 0.616 43 A CB -1.148 17.624 19.000 -0.380 0.000 0.823 43 A HN 0.414 nan 8.150 nan 0.000 0.442 44 W N 0.299 121.367 121.300 -0.386 0.000 2.338 44 W HA -0.165 4.491 4.660 -0.008 0.000 0.304 44 W C 2.301 178.700 176.519 -0.200 0.000 1.212 44 W CA 1.254 58.393 57.345 -0.343 0.000 1.264 44 W CB 0.086 29.236 29.460 -0.516 0.000 1.142 44 W HN 0.125 nan 8.180 nan 0.000 0.512 45 K N 0.401 120.839 120.400 0.064 0.000 2.147 45 K HA -0.111 4.203 4.320 -0.009 0.000 0.205 45 K C 1.740 178.357 176.600 0.028 0.000 1.049 45 K CA 1.214 57.527 56.287 0.044 0.000 0.936 45 K CB -0.529 31.983 32.500 0.021 0.000 0.722 45 K HN 0.299 nan 8.250 nan 0.000 0.446 46 R N 0.320 120.816 120.500 -0.006 0.000 2.127 46 R HA -0.077 4.258 4.340 -0.009 0.000 0.238 46 R C 2.200 178.505 176.300 0.008 0.000 1.134 46 R CA 0.843 56.935 56.100 -0.014 0.000 0.975 46 R CB -0.270 29.999 30.300 -0.051 0.000 0.865 46 R HN -0.056 nan 8.270 nan 0.000 0.447 47 V N 0.659 120.596 119.914 0.038 0.000 2.515 47 V HA -0.181 3.934 4.120 -0.009 0.000 0.250 47 V C 1.448 177.586 176.094 0.073 0.000 1.058 47 V CA 1.302 63.648 62.300 0.076 0.000 1.064 47 V CB -0.325 31.613 31.823 0.191 0.000 0.675 47 V HN 0.329 nan 8.190 nan 0.000 0.461 48 Q N 1.227 121.067 119.800 0.067 0.000 2.963 48 Q HA 0.174 4.508 4.340 -0.009 0.000 0.262 48 Q C 0.027 176.047 176.000 0.033 0.000 1.318 48 Q CA -0.158 55.673 55.803 0.046 0.000 1.089 48 Q CB 0.114 28.876 28.738 0.040 0.000 1.424 48 Q HN 0.622 nan 8.270 nan 0.000 0.560 49 Q N 1.490 121.308 119.800 0.030 0.000 2.317 49 Q HA 0.134 4.468 4.340 -0.009 0.000 0.229 49 Q C -1.721 174.292 176.000 0.021 0.000 0.984 49 Q CA -1.910 53.907 55.803 0.023 0.000 0.911 49 Q CB 0.665 29.416 28.738 0.021 0.000 1.217 49 Q HN 0.394 nan 8.270 nan 0.000 0.501 50 P HA -0.152 nan 4.420 nan 0.000 0.216 50 P C -0.070 177.239 177.300 0.014 0.000 1.150 50 P CA 1.392 64.500 63.100 0.014 0.000 0.837 50 P CB 0.277 31.983 31.700 0.011 0.000 0.786 51 D N -2.287 118.124 120.400 0.018 0.000 2.402 51 D HA 0.021 4.655 4.640 -0.009 0.000 0.216 51 D C 0.540 176.859 176.300 0.032 0.000 1.128 51 D CA 0.340 54.353 54.000 0.021 0.000 0.833 51 D CB -0.238 40.574 40.800 0.020 0.000 0.971 51 D HN 0.136 nan 8.370 nan 0.000 0.503 52 T N 1.188 115.761 114.554 0.033 0.000 2.901 52 T HA 0.258 4.602 4.350 -0.009 0.000 0.301 52 T C -2.437 172.291 174.700 0.047 0.000 1.012 52 T CA -1.367 60.759 62.100 0.044 0.000 1.135 52 T CB 1.203 70.098 68.868 0.045 0.000 0.936 52 T HN -0.234 nan 8.240 nan 0.000 0.539 53 P HA 0.133 nan 4.420 nan 0.000 0.269 53 P C -1.820 175.508 177.300 0.047 0.000 1.217 53 P CA -1.298 61.846 63.100 0.073 0.000 0.783 53 P CB 0.108 31.875 31.700 0.113 0.000 0.898 54 P HA -0.024 nan 4.420 nan 0.000 0.221 54 P C -0.039 177.239 177.300 -0.038 0.000 1.150 54 P CA 1.466 64.537 63.100 -0.048 0.000 0.800 54 P CB 0.330 31.971 31.700 -0.100 0.000 0.787 55 L N 0.440 121.685 121.223 0.035 0.000 2.439 55 L HA 0.322 4.657 4.340 -0.009 0.000 0.270 55 L C -0.241 176.826 176.870 0.329 0.000 0.972 55 L CA -1.328 53.586 54.840 0.123 0.000 0.836 55 L CB 1.830 43.860 42.059 -0.049 0.000 1.255 55 L HN -0.244 nan 8.230 nan 0.000 0.404 56 V N 0.464 120.606 119.914 0.381 0.000 2.960 56 V HA 0.708 4.823 4.120 -0.009 0.000 0.315 56 V C -1.360 174.912 176.094 0.297 0.000 1.087 56 V CA -0.990 61.502 62.300 0.321 0.000 0.982 56 V CB 2.245 34.152 31.823 0.140 0.000 1.039 56 V HN 0.836 nan 8.190 nan 0.000 0.437 57 W N 1.760 122.930 121.300 -0.216 0.000 2.532 57 W HA 0.705 5.360 4.660 -0.008 0.000 0.321 57 W C -0.232 176.018 176.519 -0.448 0.000 1.037 57 W CA -0.226 56.770 57.345 -0.581 0.000 1.220 57 W CB 1.909 30.680 29.460 -1.148 0.000 1.361 57 W HN 0.926 nan 8.180 nan 0.000 0.468 58 T N 7.188 121.025 114.554 -1.195 0.000 2.859 58 T HA 0.381 4.725 4.350 -0.009 0.000 0.281 58 T C -1.666 172.035 174.700 -1.665 0.000 1.005 58 T CA -2.248 59.205 62.100 -1.079 0.000 1.025 58 T CB 1.821 70.237 68.868 -0.754 0.000 0.977 58 T HN 0.417 nan 8.240 nan 0.000 0.458 59 P HA 0.158 nan 4.420 nan 0.000 0.245 59 P C 0.233 177.303 177.300 -0.382 0.000 1.206 59 P CA 0.020 62.682 63.100 -0.730 0.000 0.781 59 P CB 0.068 31.582 31.700 -0.309 0.000 0.994 60 F N 0.210 119.983 119.950 -0.294 0.000 2.375 60 F HA 0.174 4.696 4.527 -0.008 0.000 0.313 60 F C 1.826 177.582 175.800 -0.073 0.000 1.176 60 F CA -0.229 57.706 58.000 -0.108 0.000 1.142 60 F CB -0.042 38.913 39.000 -0.074 0.000 1.275 60 F HN -0.221 nan 8.300 nan 0.000 0.544 61 T N 0.632 115.356 114.554 0.283 0.000 3.760 61 T HA -0.204 4.140 4.350 -0.009 0.000 0.366 61 T C 0.710 175.531 174.700 0.201 0.000 0.761 61 T CA 1.082 63.326 62.100 0.241 0.000 1.887 61 T CB -1.837 67.257 68.868 0.375 0.000 1.811 61 T HN 1.771 nan 8.240 nan 0.000 0.749 62 G N -0.699 108.179 108.800 0.131 0.000 2.176 62 G HA2 0.269 4.224 3.960 -0.009 0.000 0.253 62 G HA3 0.269 4.224 3.960 -0.009 0.000 0.253 62 G C 1.352 176.318 174.900 0.110 0.000 0.979 62 G CA 0.533 45.709 45.100 0.127 0.000 0.641 62 G HN 2.758 nan 8.290 nan 0.000 0.530 63 G N -0.711 108.054 108.800 -0.059 0.000 3.402 63 G HA2 0.535 4.489 3.960 -0.009 0.000 0.686 63 G HA3 0.535 4.489 3.960 -0.009 0.000 0.686 63 G C -0.456 174.279 174.900 -0.275 0.000 0.983 63 G CA 0.644 45.510 45.100 -0.390 0.000 0.821 63 G HN 2.856 nan 8.290 nan 0.000 0.500 64 H N -1.474 117.113 119.070 -0.804 0.000 3.024 64 H HA 0.645 5.195 4.556 -0.010 0.000 0.324 64 H C -0.620 174.352 175.328 -0.593 0.000 1.347 64 H CA -1.671 54.130 56.048 -0.412 0.000 1.182 64 H CB 0.157 29.843 29.762 -0.127 0.000 1.889 64 H HN 0.608 nan 8.280 nan 0.000 0.528 65 W N 1.147 122.496 121.300 0.082 0.000 2.184 65 W HA 0.566 5.221 4.660 -0.009 0.000 0.338 65 W C -0.214 176.377 176.519 0.119 0.000 1.257 65 W CA -0.462 56.944 57.345 0.102 0.000 1.243 65 W CB 0.778 30.344 29.460 0.177 0.000 1.122 65 W HN 0.431 nan 8.180 nan 0.000 0.585 66 I N 2.681 123.454 120.570 0.338 0.000 2.466 66 I HA 0.381 4.545 4.170 -0.009 0.000 0.289 66 I C -0.102 176.087 176.117 0.119 0.000 1.026 66 I CA -1.171 60.246 61.300 0.195 0.000 1.078 66 I CB 1.441 39.549 38.000 0.179 0.000 1.249 66 I HN 0.437 nan 8.210 nan 0.000 0.429 67 A N 3.355 126.168 122.820 -0.012 0.000 2.362 67 A HA 0.461 4.776 4.320 -0.009 0.000 0.276 67 A C 0.869 178.385 177.584 -0.112 0.000 1.153 67 A CA -0.120 51.861 52.037 -0.094 0.000 0.813 67 A CB 0.059 18.944 19.000 -0.192 0.000 1.081 67 A HN 0.851 nan 8.150 nan 0.000 0.507 68 T N -0.268 114.236 114.554 -0.085 0.000 3.054 68 T HA 0.323 4.667 4.350 -0.009 0.000 0.255 68 T C 0.501 175.156 174.700 -0.076 0.000 1.035 68 T CA -0.199 61.867 62.100 -0.058 0.000 0.941 68 T CB 0.052 68.923 68.868 0.005 0.000 1.026 68 T HN 0.528 nan 8.240 nan 0.000 0.533 69 R N -0.152 120.276 120.500 -0.120 0.000 2.651 69 R HA 0.552 4.886 4.340 -0.009 0.000 0.278 69 R C 1.274 177.465 176.300 -0.180 0.000 1.010 69 R CA -0.293 55.745 56.100 -0.103 0.000 0.896 69 R CB 1.409 31.661 30.300 -0.080 0.000 1.211 69 R HN 0.196 nan 8.270 nan 0.000 0.456 70 G N 0.223 108.901 108.800 -0.204 0.000 2.440 70 G HA2 -0.314 3.640 3.960 -0.009 0.000 0.218 70 G HA3 -0.314 3.640 3.960 -0.009 0.000 0.218 70 G C 1.234 175.724 174.900 -0.683 0.000 1.154 70 G CA 1.816 46.560 45.100 -0.594 0.000 0.767 70 G HN 0.632 nan 8.290 nan 0.000 0.552 71 T N -0.014 114.393 114.554 -0.245 0.000 2.867 71 T HA -0.026 4.319 4.350 -0.009 0.000 0.268 71 T C 2.427 177.024 174.700 -0.172 0.000 1.057 71 T CA 1.293 63.311 62.100 -0.137 0.000 1.136 71 T CB -0.195 68.722 68.868 0.082 0.000 0.874 71 T HN 0.065 nan 8.240 nan 0.000 0.466 72 L N 0.454 121.503 121.223 -0.290 0.000 2.056 72 L HA 0.158 4.493 4.340 -0.009 0.000 0.207 72 L C 2.610 179.347 176.870 -0.221 0.000 1.078 72 L CA 1.364 56.007 54.840 -0.328 0.000 0.749 72 L CB -0.532 41.247 42.059 -0.467 0.000 0.901 72 L HN 0.324 nan 8.230 nan 0.000 0.433 73 I N -0.670 119.742 120.570 -0.264 0.000 2.127 73 I HA -0.333 3.831 4.170 -0.009 0.000 0.241 73 I C 2.422 178.480 176.117 -0.099 0.000 1.075 73 I CA 1.760 62.916 61.300 -0.241 0.000 1.334 73 I CB -0.524 37.366 38.000 -0.184 0.000 1.040 73 I HN 0.416 nan 8.210 nan 0.000 0.405 74 D N 0.844 121.184 120.400 -0.101 0.000 2.104 74 D HA -0.275 4.359 4.640 -0.009 0.000 0.194 74 D C 2.035 178.390 176.300 0.092 0.000 0.994 74 D CA 1.736 55.768 54.000 0.054 0.000 0.830 74 D CB 0.011 40.785 40.800 -0.044 0.000 0.959 74 D HN 0.422 nan 8.370 nan 0.000 0.452 75 E N -0.007 120.229 120.200 0.059 0.000 2.051 75 E HA -0.162 4.183 4.350 -0.009 0.000 0.192 75 E C 2.597 179.269 176.600 0.120 0.000 0.991 75 E CA 0.768 57.260 56.400 0.153 0.000 0.799 75 E CB -0.082 29.783 29.700 0.275 0.000 0.748 75 E HN 0.358 nan 8.360 nan 0.000 0.449 76 I N 0.157 120.678 120.570 -0.082 0.000 2.163 76 I HA -0.299 3.866 4.170 -0.009 0.000 0.243 76 I C 2.125 178.195 176.117 -0.078 0.000 1.085 76 I CA 1.159 62.234 61.300 -0.375 0.000 1.347 76 I CB -0.371 37.130 38.000 -0.832 0.000 1.044 76 I HN 0.204 nan 8.210 nan 0.000 0.408 77 Y N 1.227 121.504 120.300 -0.038 0.000 2.207 77 Y HA -0.208 4.336 4.550 -0.010 0.000 0.287 77 Y C 2.439 178.380 175.900 0.069 0.000 1.156 77 Y CA 1.326 59.441 58.100 0.025 0.000 1.182 77 Y CB -0.510 37.965 38.460 0.025 0.000 0.979 77 Y HN 0.140 nan 8.280 nan 0.000 0.521 78 R N -0.719 119.920 120.500 0.233 0.000 2.313 78 R HA 0.117 4.451 4.340 -0.009 0.000 0.199 78 R C 0.175 176.569 176.300 0.157 0.000 0.958 78 R CA 0.645 56.846 56.100 0.167 0.000 1.047 78 R CB -0.037 30.345 30.300 0.137 0.000 0.955 78 R HN 0.009 nan 8.270 nan 0.000 0.481 79 S N 1.782 117.601 115.700 0.199 0.000 2.080 79 S HA 0.191 4.655 4.470 -0.009 0.000 0.162 79 S C -1.969 172.736 174.600 0.174 0.000 1.618 79 S CA -1.087 57.227 58.200 0.190 0.000 1.200 79 S CB 1.307 64.659 63.200 0.254 0.000 1.135 79 S HN 0.040 nan 8.310 nan 0.000 0.455 80 P HA -0.130 nan 4.420 nan 0.000 0.219 80 P C 0.882 178.210 177.300 0.046 0.000 1.146 80 P CA 1.094 64.260 63.100 0.110 0.000 0.808 80 P CB 0.300 32.053 31.700 0.088 0.000 0.779 81 E N -0.452 119.751 120.200 0.005 0.000 2.274 81 E HA -0.057 4.287 4.350 -0.009 0.000 0.194 81 E C 2.082 178.601 176.600 -0.134 0.000 0.996 81 E CA 0.581 56.957 56.400 -0.040 0.000 0.840 81 E CB -0.045 29.636 29.700 -0.031 0.000 0.772 81 E HN 0.301 nan 8.360 nan 0.000 0.491 82 R N -0.705 119.637 120.500 -0.263 0.000 2.225 82 R HA 0.146 4.480 4.340 -0.009 0.000 0.194 82 R C -0.257 175.499 176.300 -0.907 0.000 0.957 82 R CA 0.201 55.907 56.100 -0.655 0.000 1.042 82 R CB 0.672 30.406 30.300 -0.943 0.000 1.004 82 R HN -0.039 nan 8.270 nan 0.000 0.509 83 F N 0.379 120.292 119.950 -0.063 0.000 2.771 83 F HA 0.311 4.833 4.527 -0.009 0.000 0.365 83 F C -0.017 175.798 175.800 0.024 0.000 1.169 83 F CA -0.894 57.076 58.000 -0.050 0.000 1.093 83 F CB 1.649 40.564 39.000 -0.142 0.000 1.363 83 F HN -0.228 nan 8.300 nan 0.000 0.496 84 S N 0.828 116.656 115.700 0.213 0.000 2.610 84 S HA 0.335 4.800 4.470 -0.009 0.000 0.273 84 S C 0.988 175.672 174.600 0.140 0.000 1.274 84 S CA -0.368 57.923 58.200 0.152 0.000 1.023 84 S CB 1.259 64.523 63.200 0.107 0.000 0.962 84 S HN 0.501 nan 8.310 nan 0.000 0.523 85 S N 2.159 117.908 115.700 0.082 0.000 2.634 85 S HA 0.088 4.553 4.470 -0.009 0.000 0.221 85 S C 1.699 176.310 174.600 0.019 0.000 0.952 85 S CA -0.183 58.034 58.200 0.028 0.000 0.930 85 S CB -0.289 62.882 63.200 -0.049 0.000 0.780 85 S HN 0.754 nan 8.310 nan 0.000 0.498 86 R N 1.292 121.776 120.500 -0.026 0.000 2.117 86 R HA -0.093 4.241 4.340 -0.009 0.000 0.243 86 R C -0.086 176.180 176.300 -0.057 0.000 1.143 86 R CA 1.331 57.358 56.100 -0.121 0.000 0.968 86 R CB -0.001 30.061 30.300 -0.396 0.000 0.863 86 R HN 0.219 nan 8.270 nan 0.000 0.444 87 V N 1.691 121.628 119.914 0.037 0.000 2.577 87 V HA 0.228 4.342 4.120 -0.009 0.000 0.303 87 V C 0.207 176.365 176.094 0.106 0.000 1.042 87 V CA -0.700 61.669 62.300 0.115 0.000 0.872 87 V CB 1.824 33.790 31.823 0.238 0.000 0.998 87 V HN 0.379 nan 8.190 nan 0.000 0.423 88 I N -0.459 120.140 120.570 0.048 0.000 4.225 88 I HA 0.437 4.602 4.170 -0.009 0.000 0.327 88 I C -0.031 176.171 176.117 0.141 0.000 1.422 88 I CA -0.018 61.310 61.300 0.047 0.000 1.150 88 I CB 0.499 38.493 38.000 -0.011 0.000 1.192 88 I HN 0.427 nan 8.210 nan 0.000 0.440 89 W N 2.367 123.548 121.300 -0.200 0.000 2.761 89 W HA 0.657 5.312 4.660 -0.009 0.000 0.340 89 W C -0.785 175.698 176.519 -0.061 0.000 1.072 89 W CA -0.974 56.290 57.345 -0.135 0.000 1.215 89 W CB 2.619 32.011 29.460 -0.112 0.000 1.420 89 W HN -0.200 nan 8.180 nan 0.000 0.519 90 V N 1.358 121.308 119.914 0.061 0.000 2.667 90 V HA 0.593 4.707 4.120 -0.009 0.000 0.308 90 V C -2.275 173.991 176.094 0.286 0.000 1.048 90 V CA -2.668 59.668 62.300 0.060 0.000 0.928 90 V CB 1.281 32.944 31.823 -0.266 0.000 1.004 90 V HN 0.296 nan 8.190 nan 0.000 0.444 91 P HA 0.205 nan 4.420 nan 0.000 0.272 91 P C 0.668 178.066 177.300 0.163 0.000 1.240 91 P CA -0.381 62.821 63.100 0.171 0.000 0.791 91 P CB 0.938 32.711 31.700 0.121 0.000 0.978 92 R N 0.780 121.367 120.500 0.146 0.000 2.140 92 R HA -0.252 4.083 4.340 -0.009 0.000 0.250 92 R C 1.741 178.121 176.300 0.134 0.000 1.150 92 R CA 2.196 58.387 56.100 0.152 0.000 0.966 92 R CB -0.369 30.025 30.300 0.156 0.000 0.869 92 R HN 0.429 nan 8.270 nan 0.000 0.445 93 E N -0.096 120.168 120.200 0.108 0.000 2.085 93 E HA -0.161 4.184 4.350 -0.009 0.000 0.194 93 E C 1.860 178.507 176.600 0.079 0.000 0.994 93 E CA 1.616 58.064 56.400 0.080 0.000 0.801 93 E CB -0.220 29.512 29.700 0.053 0.000 0.743 93 E HN 0.506 nan 8.360 nan 0.000 0.453 94 A N 0.493 123.380 122.820 0.110 0.000 1.898 94 A HA -0.052 4.262 4.320 -0.009 0.000 0.216 94 A C 2.446 180.092 177.584 0.103 0.000 1.181 94 A CA 1.683 53.791 52.037 0.119 0.000 0.620 94 A CB -1.186 17.964 19.000 0.250 0.000 0.819 94 A HN 0.357 nan 8.150 nan 0.000 0.442 95 G N -0.564 108.338 108.800 0.170 0.000 2.422 95 G HA2 -0.197 3.757 3.960 -0.009 0.000 0.218 95 G HA3 -0.197 3.757 3.960 -0.009 0.000 0.218 95 G C 1.426 176.391 174.900 0.108 0.000 1.146 95 G CA 1.008 46.200 45.100 0.153 0.000 0.769 95 G HN 0.646 nan 8.290 nan 0.000 0.547 96 E N 0.260 120.519 120.200 0.097 0.000 2.152 96 E HA 0.076 4.420 4.350 -0.009 0.000 0.192 96 E C 2.803 179.425 176.600 0.038 0.000 0.983 96 E CA 0.633 57.074 56.400 0.069 0.000 0.818 96 E CB -0.074 29.667 29.700 0.069 0.000 0.758 96 E HN 0.419 nan 8.360 nan 0.000 0.467 97 A N 0.635 123.468 122.820 0.021 0.000 2.016 97 A HA -0.105 4.209 4.320 -0.009 0.000 0.217 97 A C 0.735 178.275 177.584 -0.073 0.000 1.162 97 A CA 0.089 52.105 52.037 -0.035 0.000 0.662 97 A CB -0.457 18.515 19.000 -0.047 0.000 0.812 97 A HN 0.335 nan 8.150 nan 0.000 0.450 98 Y N 1.196 121.366 120.300 -0.218 0.000 2.810 98 Y HA 0.179 4.723 4.550 -0.010 0.000 0.332 98 Y C -0.385 175.381 175.900 -0.224 0.000 1.243 98 Y CA 0.610 58.516 58.100 -0.323 0.000 1.537 98 Y CB 0.308 38.513 38.460 -0.425 0.000 1.265 98 Y HN 0.238 nan 8.280 nan 0.000 0.572 99 D N 7.581 127.567 120.400 -0.690 0.000 2.381 99 D HA 0.264 4.898 4.640 -0.009 0.000 0.245 99 D C -1.404 174.656 176.300 -0.400 0.000 1.297 99 D CA -0.301 53.457 54.000 -0.403 0.000 0.931 99 D CB 0.080 40.736 40.800 -0.241 0.000 1.334 99 D HN 0.506 nan 8.370 nan 0.000 0.535 100 M N 1.526 120.810 119.600 -0.526 0.000 2.484 100 M HA 0.493 4.968 4.480 -0.009 0.000 0.289 100 M C -1.096 175.128 176.300 -0.126 0.000 1.206 100 M CA -1.018 54.071 55.300 -0.351 0.000 0.892 100 M CB 2.309 34.561 32.600 -0.579 0.000 1.712 100 M HN -0.077 nan 8.290 nan 0.000 0.462 101 V N 3.318 123.181 119.914 -0.085 0.000 2.709 101 V HA 0.481 4.595 4.120 -0.009 0.000 0.308 101 V C -2.031 174.063 176.094 -0.001 0.000 1.062 101 V CA -0.878 61.377 62.300 -0.074 0.000 0.901 101 V CB 2.722 34.395 31.823 -0.249 0.000 1.003 101 V HN 0.673 nan 8.190 nan 0.000 0.425 102 P HA 0.113 nan 4.420 nan 0.000 0.259 102 P C 1.013 178.546 177.300 0.389 0.000 1.530 102 P CA 0.021 63.237 63.100 0.194 0.000 1.022 102 P CB 0.056 31.885 31.700 0.216 0.000 1.514 103 T N -1.322 113.407 114.554 0.292 0.000 2.962 103 T HA -0.154 4.191 4.350 -0.009 0.000 0.270 103 T C 1.518 176.302 174.700 0.139 0.000 1.088 103 T CA 1.100 63.327 62.100 0.211 0.000 1.127 103 T CB -0.634 68.392 68.868 0.263 0.000 0.883 103 T HN 0.310 nan 8.240 nan 0.000 0.493 104 K N 0.787 121.315 120.400 0.213 0.000 2.459 104 K HA 0.289 4.603 4.320 -0.009 0.000 0.193 104 K C 0.486 177.169 176.600 0.138 0.000 1.030 104 K CA 0.116 56.504 56.287 0.170 0.000 1.026 104 K CB -0.132 32.460 32.500 0.154 0.000 0.809 104 K HN 0.317 nan 8.250 nan 0.000 0.504 105 L N 1.851 123.208 121.223 0.224 0.000 2.322 105 L HA 0.336 4.671 4.340 -0.009 0.000 0.279 105 L C -0.409 176.651 176.870 0.317 0.000 1.036 105 L CA -1.077 53.910 54.840 0.245 0.000 0.807 105 L CB 1.225 43.444 42.059 0.267 0.000 1.226 105 L HN 0.086 nan 8.230 nan 0.000 0.433 106 D N 1.992 122.520 120.400 0.213 0.000 2.277 106 D HA 0.322 4.957 4.640 -0.009 0.000 0.250 106 D C -2.396 174.003 176.300 0.166 0.000 1.032 106 D CA -1.416 52.689 54.000 0.175 0.000 0.947 106 D CB 1.319 42.184 40.800 0.109 0.000 1.159 106 D HN 0.159 nan 8.370 nan 0.000 0.460 107 P HA 0.060 nan 4.420 nan 0.000 0.265 107 P C -1.762 175.589 177.300 0.086 0.000 1.193 107 P CA -0.626 62.539 63.100 0.108 0.000 0.765 107 P CB 0.257 31.990 31.700 0.056 0.000 0.823 108 P HA 0.101 nan 4.420 nan 0.000 0.264 108 P C 0.612 177.976 177.300 0.107 0.000 1.259 108 P CA 0.495 63.646 63.100 0.086 0.000 0.841 108 P CB 0.592 32.322 31.700 0.051 0.000 1.232 109 E N -0.107 120.172 120.200 0.132 0.000 2.110 109 E HA -0.205 4.139 4.350 -0.009 0.000 0.193 109 E C 1.988 178.730 176.600 0.236 0.000 0.988 109 E CA 1.166 57.665 56.400 0.166 0.000 0.804 109 E CB -1.129 28.668 29.700 0.162 0.000 0.745 109 E HN 0.497 nan 8.360 nan 0.000 0.458 110 H N -0.090 119.062 119.070 0.137 0.000 2.352 110 H HA -0.149 4.401 4.556 -0.009 0.000 0.299 110 H C 2.178 177.571 175.328 0.108 0.000 1.097 110 H CA 2.341 58.473 56.048 0.139 0.000 1.311 110 H CB -0.321 29.468 29.762 0.046 0.000 1.377 110 H HN 0.201 nan 8.280 nan 0.000 0.504 111 T N -0.297 114.262 114.554 0.009 0.000 2.746 111 T HA -0.035 4.309 4.350 -0.009 0.000 0.267 111 T C -0.500 174.103 174.700 -0.163 0.000 1.039 111 T CA 1.162 63.206 62.100 -0.095 0.000 1.142 111 T CB -0.905 67.990 68.868 0.046 0.000 0.866 111 T HN 0.394 nan 8.240 nan 0.000 0.444 112 P HA -0.030 nan 4.420 nan 0.000 0.220 112 P C 0.757 177.837 177.300 -0.367 0.000 1.148 112 P CA 1.160 64.095 63.100 -0.274 0.000 0.803 112 P CB -0.329 31.162 31.700 -0.349 0.000 0.782 113 Y N 0.183 120.396 120.300 -0.144 0.000 2.220 113 Y HA -0.110 4.434 4.550 -0.009 0.000 0.291 113 Y C 2.929 178.724 175.900 -0.176 0.000 1.129 113 Y CA 0.916 58.936 58.100 -0.133 0.000 1.161 113 Y CB -0.600 37.801 38.460 -0.097 0.000 0.997 113 Y HN -0.177 nan 8.280 nan 0.000 0.522 114 R N 1.376 121.748 120.500 -0.214 0.000 2.096 114 R HA -0.114 4.220 4.340 -0.009 0.000 0.235 114 R C 1.795 178.031 176.300 -0.108 0.000 1.127 114 R CA 1.459 57.426 56.100 -0.221 0.000 0.968 114 R CB -0.302 29.728 30.300 -0.449 0.000 0.861 114 R HN 0.069 nan 8.270 nan 0.000 0.440 115 K N 0.221 120.549 120.400 -0.121 0.000 2.026 115 K HA -0.051 4.263 4.320 -0.009 0.000 0.208 115 K C 2.032 178.595 176.600 -0.062 0.000 1.048 115 K CA 1.474 57.712 56.287 -0.082 0.000 0.929 115 K CB -0.585 31.859 32.500 -0.094 0.000 0.713 115 K HN 0.281 nan 8.250 nan 0.000 0.439 116 A N 2.220 124.997 122.820 -0.072 0.000 1.883 116 A HA -0.169 4.145 4.320 -0.009 0.000 0.217 116 A C 2.216 179.798 177.584 -0.003 0.000 1.186 116 A CA 1.443 53.457 52.037 -0.039 0.000 0.624 116 A CB -0.531 18.450 19.000 -0.033 0.000 0.822 116 A HN 0.140 nan 8.150 nan 0.000 0.444 117 I N 0.490 121.068 120.570 0.013 0.000 2.208 117 I HA -0.228 3.937 4.170 -0.009 0.000 0.245 117 I C 1.638 177.768 176.117 0.022 0.000 1.097 117 I CA 1.766 63.085 61.300 0.031 0.000 1.363 117 I CB -1.596 36.427 38.000 0.039 0.000 1.051 117 I HN 0.279 nan 8.210 nan 0.000 0.413 118 D N 1.048 121.452 120.400 0.007 0.000 2.263 118 D HA -0.133 4.501 4.640 -0.009 0.000 0.208 118 D C 2.122 178.425 176.300 0.006 0.000 0.971 118 D CA 0.722 54.729 54.000 0.011 0.000 0.867 118 D CB -0.101 40.701 40.800 0.003 0.000 0.929 118 D HN 0.277 nan 8.370 nan 0.000 0.492 119 K N 0.117 120.515 120.400 -0.004 0.000 2.147 119 K HA -0.035 4.280 4.320 -0.009 0.000 0.205 119 K C 1.977 178.576 176.600 -0.002 0.000 1.049 119 K CA 0.998 57.280 56.287 -0.009 0.000 0.936 119 K CB -0.270 32.220 32.500 -0.016 0.000 0.722 119 K HN 0.201 nan 8.250 nan 0.000 0.446 120 G N 0.109 108.914 108.800 0.009 0.000 2.545 120 G HA2 -0.013 3.942 3.960 -0.009 0.000 0.212 120 G HA3 -0.013 3.942 3.960 -0.009 0.000 0.212 120 G C 1.343 176.260 174.900 0.028 0.000 1.144 120 G CA -0.178 44.930 45.100 0.013 0.000 0.813 120 G HN 0.114 nan 8.290 nan 0.000 0.531 121 L N 1.522 122.771 121.223 0.044 0.000 2.640 121 L HA 0.198 4.533 4.340 -0.009 0.000 0.230 121 L C 0.900 177.829 176.870 0.099 0.000 1.123 121 L CA -0.358 54.524 54.840 0.069 0.000 0.900 121 L CB -0.242 41.860 42.059 0.071 0.000 1.146 121 L HN 0.322 nan 8.230 nan 0.000 0.484 122 N N 0.345 119.081 118.700 0.059 0.000 2.344 122 N HA -0.104 4.630 4.740 -0.009 0.000 0.236 122 N C 1.121 176.593 175.510 -0.063 0.000 1.279 122 N CA -0.357 52.712 53.050 0.032 0.000 0.882 122 N CB 1.471 39.947 38.487 -0.019 0.000 1.110 122 N HN -0.055 nan 8.380 nan 0.000 0.436 123 L N 2.106 123.123 121.223 -0.342 0.000 2.043 123 L HA -0.193 4.141 4.340 -0.009 0.000 0.212 123 L C 2.585 179.350 176.870 -0.175 0.000 1.075 123 L CA 2.324 56.899 54.840 -0.442 0.000 0.752 123 L CB -1.130 40.494 42.059 -0.725 0.000 0.891 123 L HN 0.828 nan 8.230 nan 0.000 0.432 124 A N -0.973 121.768 122.820 -0.131 0.000 1.883 124 A HA -0.195 4.119 4.320 -0.009 0.000 0.217 124 A C 2.145 179.703 177.584 -0.043 0.000 1.186 124 A CA 1.710 53.704 52.037 -0.072 0.000 0.624 124 A CB -0.619 18.346 19.000 -0.057 0.000 0.822 124 A HN 0.539 nan 8.150 nan 0.000 0.444 125 E N -0.105 120.074 120.200 -0.035 0.000 2.058 125 E HA -0.220 4.124 4.350 -0.009 0.000 0.194 125 E C 1.999 178.598 176.600 -0.003 0.000 0.997 125 E CA 1.726 58.117 56.400 -0.015 0.000 0.801 125 E CB -0.599 29.097 29.700 -0.007 0.000 0.746 125 E HN 0.866 nan 8.360 nan 0.000 0.450 126 I N -0.607 119.966 120.570 0.005 0.000 2.439 126 I HA -0.113 4.052 4.170 -0.009 0.000 0.251 126 I C 2.185 178.319 176.117 0.028 0.000 1.139 126 I CA 1.068 62.386 61.300 0.030 0.000 1.438 126 I CB -0.132 37.909 38.000 0.068 0.000 1.085 126 I HN -0.160 nan 8.210 nan 0.000 0.427 127 R N 1.286 121.791 120.500 0.008 0.000 2.139 127 R HA -0.152 4.183 4.340 -0.009 0.000 0.243 127 R C 2.110 178.422 176.300 0.019 0.000 1.145 127 R CA 1.784 57.893 56.100 0.014 0.000 0.976 127 R CB -0.391 29.906 30.300 -0.005 0.000 0.866 127 R HN 0.476 nan 8.270 nan 0.000 0.449 128 K N 0.312 120.719 120.400 0.010 0.000 2.360 128 K HA -0.085 4.229 4.320 -0.009 0.000 0.201 128 K C 1.474 178.085 176.600 0.019 0.000 1.046 128 K CA 0.830 57.124 56.287 0.011 0.000 0.945 128 K CB 0.081 32.582 32.500 0.001 0.000 0.750 128 K HN 0.244 nan 8.250 nan 0.000 0.464 129 L N 0.150 121.389 121.223 0.027 0.000 2.592 129 L HA 0.067 4.402 4.340 -0.009 0.000 0.227 129 L C 2.134 179.037 176.870 0.055 0.000 1.127 129 L CA 0.060 54.919 54.840 0.033 0.000 0.884 129 L CB -0.187 41.890 42.059 0.030 0.000 1.065 129 L HN 0.197 nan 8.230 nan 0.000 0.457 130 E N 1.369 121.605 120.200 0.060 0.000 2.038 130 E HA -0.308 4.036 4.350 -0.009 0.000 0.195 130 E C 1.551 178.204 176.600 0.087 0.000 1.000 130 E CA 2.042 58.491 56.400 0.082 0.000 0.803 130 E CB 0.153 29.897 29.700 0.073 0.000 0.750 130 E HN 0.375 nan 8.360 nan 0.000 0.448 131 D N -0.378 120.061 120.400 0.065 0.000 2.144 131 D HA -0.143 4.491 4.640 -0.009 0.000 0.200 131 D C 2.041 178.382 176.300 0.069 0.000 0.978 131 D CA 1.079 55.116 54.000 0.063 0.000 0.833 131 D CB 0.055 40.881 40.800 0.044 0.000 0.961 131 D HN 0.233 nan 8.370 nan 0.000 0.470 132 Q N -0.335 119.501 119.800 0.059 0.000 2.084 132 Q HA -0.114 4.221 4.340 -0.009 0.000 0.202 132 Q C 2.376 178.432 176.000 0.093 0.000 0.978 132 Q CA 1.097 56.934 55.803 0.057 0.000 0.844 132 Q CB -0.052 28.706 28.738 0.033 0.000 0.898 132 Q HN 0.396 nan 8.270 nan 0.000 0.426 133 I N 0.217 120.857 120.570 0.118 0.000 2.208 133 I HA -0.316 3.848 4.170 -0.009 0.000 0.245 133 I C 2.618 178.914 176.117 0.297 0.000 1.097 133 I CA 1.222 62.646 61.300 0.206 0.000 1.363 133 I CB -0.234 37.895 38.000 0.215 0.000 1.051 133 I HN 0.155 nan 8.210 nan 0.000 0.413 134 R N 0.410 121.031 120.500 0.202 0.000 2.075 134 R HA -0.144 4.191 4.340 -0.009 0.000 0.232 134 R C 2.266 178.645 176.300 0.133 0.000 1.126 134 R CA 1.946 58.146 56.100 0.167 0.000 0.963 134 R CB -0.293 30.075 30.300 0.113 0.000 0.858 134 R HN 0.228 nan 8.270 nan 0.000 0.435 135 T N 1.424 116.043 114.554 0.107 0.000 2.684 135 T HA -0.143 4.201 4.350 -0.009 0.000 0.267 135 T C 1.814 176.574 174.700 0.099 0.000 1.036 135 T CA 1.738 63.885 62.100 0.079 0.000 1.148 135 T CB -0.165 68.737 68.868 0.057 0.000 0.863 135 T HN 0.217 nan 8.240 nan 0.000 0.436 136 I N 1.258 121.916 120.570 0.146 0.000 2.226 136 I HA -0.203 3.961 4.170 -0.009 0.000 0.245 136 I C 2.921 179.172 176.117 0.223 0.000 1.100 136 I CA 1.152 62.557 61.300 0.175 0.000 1.374 136 I CB -0.519 37.595 38.000 0.190 0.000 1.057 136 I HN 0.203 nan 8.210 nan 0.000 0.413 137 A N 0.448 123.436 122.820 0.280 0.000 1.902 137 A HA -0.148 4.166 4.320 -0.009 0.000 0.217 137 A C 2.441 180.080 177.584 0.092 0.000 1.181 137 A CA 1.804 53.925 52.037 0.140 0.000 0.623 137 A CB -0.938 18.059 19.000 -0.005 0.000 0.818 137 A HN 0.238 nan 8.150 nan 0.000 0.443 138 V N -0.015 119.929 119.914 0.050 0.000 2.307 138 V HA -0.266 3.849 4.120 -0.009 0.000 0.245 138 V C 2.536 178.600 176.094 -0.050 0.000 1.045 138 V CA 2.267 64.557 62.300 -0.017 0.000 1.024 138 V CB -0.760 31.058 31.823 -0.009 0.000 0.651 138 V HN 0.774 nan 8.190 nan 0.000 0.449 139 E N 0.135 120.327 120.200 -0.013 0.000 2.070 139 E HA -0.262 4.083 4.350 -0.009 0.000 0.197 139 E C 2.171 178.730 176.600 -0.069 0.000 1.004 139 E CA 2.110 58.491 56.400 -0.031 0.000 0.805 139 E CB -0.203 29.499 29.700 0.003 0.000 0.744 139 E HN 0.620 nan 8.360 nan 0.000 0.451 140 I N 0.563 121.115 120.570 -0.029 0.000 2.179 140 I HA -0.290 3.874 4.170 -0.009 0.000 0.242 140 I C 2.457 178.376 176.117 -0.329 0.000 1.088 140 I CA 1.058 62.326 61.300 -0.054 0.000 1.357 140 I CB -0.232 37.804 38.000 0.061 0.000 1.051 140 I HN 0.183 nan 8.210 nan 0.000 0.409 141 I N 0.427 120.811 120.570 -0.311 0.000 2.315 141 I HA -0.257 3.907 4.170 -0.009 0.000 0.248 141 I C 2.364 178.022 176.117 -0.766 0.000 1.117 141 I CA 1.415 62.280 61.300 -0.726 0.000 1.404 141 I CB -0.326 37.412 38.000 -0.436 0.000 1.071 141 I HN 0.201 nan 8.210 nan 0.000 0.419 142 E N 0.602 120.557 120.200 -0.409 0.000 2.265 142 E HA -0.148 4.196 4.350 -0.009 0.000 0.196 142 E C 2.247 178.692 176.600 -0.259 0.000 0.996 142 E CA 0.819 57.051 56.400 -0.280 0.000 0.832 142 E CB -0.208 29.397 29.700 -0.159 0.000 0.756 142 E HN 0.579 nan 8.360 nan 0.000 0.491 143 G N 0.413 109.021 108.800 -0.319 0.000 2.498 143 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.219 143 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.219 143 G C 0.931 175.780 174.900 -0.084 0.000 1.119 143 G CA 1.063 46.051 45.100 -0.186 0.000 0.766 143 G HN 0.413 nan 8.290 nan 0.000 0.552 144 F N -3.349 116.610 119.950 0.015 0.000 3.031 144 F HA 0.634 5.158 4.527 -0.005 0.000 0.365 144 F C 1.721 177.602 175.800 0.136 0.000 1.128 144 F CA -0.627 57.399 58.000 0.044 0.000 1.068 144 F CB -0.307 38.741 39.000 0.079 0.000 1.280 144 F HN 0.030 nan 8.300 nan 0.000 0.529 145 A N 0.953 123.838 122.820 0.109 0.000 1.940 145 A HA -0.152 4.163 4.320 -0.009 0.000 0.219 145 A C 1.782 179.579 177.584 0.355 0.000 1.176 145 A CA 2.297 54.429 52.037 0.157 0.000 0.631 145 A CB -0.775 18.124 19.000 -0.169 0.000 0.814 145 A HN 0.421 nan 8.150 nan 0.000 0.446 146 D N -1.337 119.172 120.400 0.181 0.000 2.323 146 D HA -0.044 4.590 4.640 -0.009 0.000 0.209 146 D C 1.959 178.303 176.300 0.074 0.000 0.973 146 D CA 0.414 54.490 54.000 0.128 0.000 0.874 146 D CB -0.193 40.638 40.800 0.051 0.000 0.930 146 D HN 0.482 nan 8.370 nan 0.000 0.521 147 R N 0.402 120.928 120.500 0.043 0.000 2.148 147 R HA -0.060 4.275 4.340 -0.009 0.000 0.223 147 R C 1.304 177.381 176.300 -0.372 0.000 1.088 147 R CA 1.147 57.154 56.100 -0.156 0.000 0.985 147 R CB 0.062 30.215 30.300 -0.244 0.000 0.880 147 R HN 0.209 nan 8.270 nan 0.000 0.451 148 G N 0.607 108.986 108.800 -0.702 0.000 2.179 148 G HA2 -0.274 3.680 3.960 -0.009 0.000 0.260 148 G HA3 -0.274 3.680 3.960 -0.009 0.000 0.260 148 G C -0.105 173.852 174.900 -1.571 0.000 0.977 148 G CA 0.725 45.005 45.100 -1.367 0.000 0.641 148 G HN 0.708 nan 8.290 nan 0.000 0.533 149 H N -1.974 116.250 119.070 -1.411 0.000 3.037 149 H HA 0.651 5.204 4.556 -0.004 0.000 0.336 149 H C -0.266 174.829 175.328 -0.389 0.000 1.323 149 H CA -0.333 55.190 56.048 -0.875 0.000 1.159 149 H CB 1.368 30.890 29.762 -0.401 0.000 1.882 149 H HN 1.231 nan 8.280 nan 0.000 0.535 150 C N 0.730 120.010 119.300 -0.033 0.000 3.312 150 C HA 0.515 4.969 4.460 -0.009 0.000 0.332 150 C C -0.873 174.144 174.990 0.046 0.000 1.340 150 C CA -0.835 58.123 59.018 -0.101 0.000 1.265 150 C CB 1.921 29.348 27.740 -0.521 0.000 1.563 150 C HN 0.959 nan 8.230 nan 0.000 0.471 151 E N 1.003 121.209 120.200 0.010 0.000 2.046 151 E HA 0.234 4.579 4.350 -0.009 0.000 0.279 151 E C 0.182 176.818 176.600 0.059 0.000 0.989 151 E CA -0.400 56.033 56.400 0.056 0.000 0.798 151 E CB 0.713 30.435 29.700 0.036 0.000 1.086 151 E HN 0.720 nan 8.360 nan 0.000 0.399 152 F N 4.799 124.740 119.950 -0.015 0.000 2.095 152 F HA -0.097 4.423 4.527 -0.011 0.000 0.298 152 F C 1.738 177.578 175.800 0.066 0.000 1.104 152 F CA 2.279 60.282 58.000 0.005 0.000 1.232 152 F CB -0.232 38.717 39.000 -0.086 0.000 0.987 152 F HN 0.576 nan 8.300 nan 0.000 0.475 153 G N -0.660 108.131 108.800 -0.015 0.000 2.511 153 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.216 153 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.216 153 G C 1.845 176.688 174.900 -0.094 0.000 1.218 153 G CA 1.072 46.120 45.100 -0.085 0.000 0.788 153 G HN 0.421 nan 8.290 nan 0.000 0.560 154 S N 0.483 116.159 115.700 -0.041 0.000 2.368 154 S HA -0.068 4.396 4.470 -0.009 0.000 0.225 154 S C 2.116 176.712 174.600 -0.006 0.000 1.030 154 S CA 1.506 59.694 58.200 -0.020 0.000 0.999 154 S CB -0.153 63.048 63.200 0.001 0.000 0.844 154 S HN 0.597 nan 8.310 nan 0.000 0.459 155 E N -1.738 118.463 120.200 0.002 0.000 2.452 155 E HA 0.180 4.525 4.350 -0.009 0.000 0.197 155 E C 0.971 177.716 176.600 0.241 0.000 1.022 155 E CA 0.176 56.640 56.400 0.108 0.000 0.890 155 E CB 0.306 30.039 29.700 0.056 0.000 0.918 155 E HN 0.497 nan 8.360 nan 0.000 0.496 156 F N -0.103 119.767 119.950 -0.133 0.000 2.102 156 F HA -0.028 4.493 4.527 -0.010 0.000 0.254 156 F C 2.267 177.903 175.800 -0.273 0.000 0.975 156 F CA 0.800 58.700 58.000 -0.168 0.000 1.176 156 F CB -0.163 38.722 39.000 -0.192 0.000 1.358 156 F HN -0.090 nan 8.300 nan 0.000 0.728 157 S N -0.570 114.862 115.700 -0.447 0.000 2.399 157 S HA -0.183 4.281 4.470 -0.009 0.000 0.231 157 S C 1.788 176.332 174.600 -0.093 0.000 1.022 157 S CA 1.706 59.789 58.200 -0.194 0.000 0.983 157 S CB -1.451 61.664 63.200 -0.142 0.000 0.803 157 S HN 0.570 nan 8.310 nan 0.000 0.480 158 T N -1.144 113.343 114.554 -0.113 0.000 3.088 158 T HA 0.247 4.591 4.350 -0.009 0.000 0.259 158 T C 1.561 176.219 174.700 -0.070 0.000 1.122 158 T CA 0.567 62.630 62.100 -0.061 0.000 1.095 158 T CB -0.186 68.656 68.868 -0.043 0.000 0.930 158 T HN 0.276 nan 8.240 nan 0.000 0.508 159 V N 0.125 119.967 119.914 -0.119 0.000 2.581 159 V HA 0.173 4.287 4.120 -0.009 0.000 0.240 159 V C 1.991 178.012 176.094 -0.122 0.000 1.054 159 V CA 0.638 62.875 62.300 -0.106 0.000 1.076 159 V CB -0.764 31.003 31.823 -0.094 0.000 0.748 159 V HN 0.437 nan 8.190 nan 0.000 0.474 160 F N 3.156 122.843 119.950 -0.438 0.000 2.051 160 F HA -0.045 4.476 4.527 -0.010 0.000 0.296 160 F C -0.367 175.350 175.800 -0.138 0.000 1.122 160 F CA 1.922 59.672 58.000 -0.417 0.000 1.201 160 F CB -1.693 36.784 39.000 -0.871 0.000 0.978 160 F HN 0.212 nan 8.300 nan 0.000 0.472 161 P HA -0.094 nan 4.420 nan 0.000 0.219 161 P C 2.144 179.348 177.300 -0.160 0.000 1.150 161 P CA 1.511 64.387 63.100 -0.373 0.000 0.814 161 P CB -0.045 31.591 31.700 -0.106 0.000 0.787 162 V N 0.181 120.041 119.914 -0.090 0.000 2.307 162 V HA -0.217 3.897 4.120 -0.009 0.000 0.245 162 V C 2.563 178.660 176.094 0.004 0.000 1.045 162 V CA 1.766 64.062 62.300 -0.008 0.000 1.024 162 V CB -0.934 30.883 31.823 -0.011 0.000 0.651 162 V HN 0.051 nan 8.190 nan 0.000 0.449 163 R N -0.479 119.993 120.500 -0.048 0.000 2.081 163 R HA -0.121 4.213 4.340 -0.009 0.000 0.235 163 R C 2.285 178.558 176.300 -0.045 0.000 1.131 163 R CA 1.421 57.502 56.100 -0.032 0.000 0.960 163 R CB -0.588 29.696 30.300 -0.026 0.000 0.856 163 R HN 0.393 nan 8.270 nan 0.000 0.436 164 V N 0.630 120.470 119.914 -0.124 0.000 2.255 164 V HA -0.276 3.838 4.120 -0.009 0.000 0.247 164 V C 1.974 178.054 176.094 -0.024 0.000 1.051 164 V CA 1.914 64.143 62.300 -0.118 0.000 1.018 164 V CB -0.519 31.137 31.823 -0.278 0.000 0.641 164 V HN 0.204 nan 8.190 nan 0.000 0.445 165 F N -0.128 119.756 119.950 -0.110 0.000 2.146 165 F HA -0.096 4.426 4.527 -0.009 0.000 0.298 165 F C 2.064 177.852 175.800 -0.019 0.000 1.096 165 F CA 1.469 59.437 58.000 -0.053 0.000 1.275 165 F CB -0.181 38.796 39.000 -0.037 0.000 1.008 165 F HN 0.011 nan 8.300 nan 0.000 0.480 166 L N -0.588 120.667 121.223 0.054 0.000 2.083 166 L HA -0.190 4.144 4.340 -0.009 0.000 0.209 166 L C 2.748 179.572 176.870 -0.077 0.000 1.083 166 L CA 1.056 55.897 54.840 0.002 0.000 0.752 166 L CB -1.265 40.828 42.059 0.058 0.000 0.899 166 L HN 0.179 nan 8.230 nan 0.000 0.433 167 A N 0.403 123.181 122.820 -0.070 0.000 1.865 167 A HA -0.255 4.060 4.320 -0.009 0.000 0.217 167 A C 2.229 179.734 177.584 -0.131 0.000 1.191 167 A CA 1.949 53.941 52.037 -0.075 0.000 0.623 167 A CB -0.828 18.143 19.000 -0.048 0.000 0.826 167 A HN 0.332 nan 8.150 nan 0.000 0.444 168 L N -0.252 120.849 121.223 -0.203 0.000 2.042 168 L HA -0.061 4.274 4.340 -0.009 0.000 0.210 168 L C 2.366 179.035 176.870 -0.335 0.000 1.076 168 L CA 2.394 57.075 54.840 -0.266 0.000 0.749 168 L CB -0.638 41.221 42.059 -0.333 0.000 0.893 168 L HN 0.316 nan 8.230 nan 0.000 0.432 169 A N -0.983 121.559 122.820 -0.465 0.000 2.238 169 A HA 0.393 4.707 4.320 -0.009 0.000 0.208 169 A C 1.561 179.057 177.584 -0.147 0.000 1.177 169 A CA 0.509 52.336 52.037 -0.349 0.000 0.804 169 A CB -1.145 17.610 19.000 -0.409 0.000 0.823 169 A HN 0.913 nan 8.150 nan 0.000 0.482 170 G N -0.675 108.055 108.800 -0.118 0.000 2.295 170 G HA2 -0.209 3.745 3.960 -0.009 0.000 0.287 170 G HA3 -0.209 3.745 3.960 -0.009 0.000 0.287 170 G C -0.168 174.718 174.900 -0.023 0.000 1.055 170 G CA 0.635 45.699 45.100 -0.060 0.000 0.922 170 G HN 0.492 nan 8.290 nan 0.000 0.503 171 L N -0.463 120.758 121.223 -0.002 0.000 2.354 171 L HA 0.541 4.876 4.340 -0.009 0.000 0.269 171 L C -2.082 174.820 176.870 0.054 0.000 1.005 171 L CA -2.620 52.253 54.840 0.055 0.000 0.819 171 L CB 2.303 44.439 42.059 0.129 0.000 1.311 171 L HN -0.111 nan 8.230 nan 0.000 0.423 172 P HA 0.001 nan 4.420 nan 0.000 0.271 172 P C 0.684 178.017 177.300 0.055 0.000 1.220 172 P CA -0.118 63.013 63.100 0.053 0.000 0.768 172 P CB 1.120 32.855 31.700 0.058 0.000 0.848 173 V N 3.771 123.705 119.914 0.034 0.000 2.380 173 V HA -0.268 3.846 4.120 -0.009 0.000 0.251 173 V C 1.807 177.916 176.094 0.026 0.000 1.063 173 V CA 2.112 64.428 62.300 0.028 0.000 1.055 173 V CB -0.809 31.024 31.823 0.017 0.000 0.657 173 V HN 0.588 nan 8.190 nan 0.000 0.455 174 E N -0.657 119.560 120.200 0.028 0.000 2.396 174 E HA -0.221 4.123 4.350 -0.009 0.000 0.200 174 E C 1.420 178.033 176.600 0.023 0.000 1.023 174 E CA 1.177 57.590 56.400 0.023 0.000 0.857 174 E CB -0.621 29.093 29.700 0.023 0.000 0.775 174 E HN 0.655 nan 8.360 nan 0.000 0.525 175 D N 0.919 121.342 120.400 0.038 0.000 2.355 175 D HA 0.107 4.741 4.640 -0.009 0.000 0.218 175 D C 1.710 177.980 176.300 -0.050 0.000 1.004 175 D CA 0.781 54.791 54.000 0.016 0.000 0.880 175 D CB 0.107 40.964 40.800 0.094 0.000 0.911 175 D HN 0.230 nan 8.370 nan 0.000 0.528 176 A N 0.561 123.368 122.820 -0.021 0.000 1.892 176 A HA -0.232 4.083 4.320 -0.009 0.000 0.218 176 A C 2.351 179.904 177.584 -0.052 0.000 1.188 176 A CA 2.073 54.093 52.037 -0.027 0.000 0.631 176 A CB -0.906 18.089 19.000 -0.009 0.000 0.822 176 A HN 0.195 nan 8.150 nan 0.000 0.447 177 T N 0.471 114.997 114.554 -0.047 0.000 2.674 177 T HA -0.166 4.179 4.350 -0.009 0.000 0.265 177 T C 1.960 176.609 174.700 -0.086 0.000 1.039 177 T CA 1.860 63.928 62.100 -0.052 0.000 1.150 177 T CB -0.307 68.538 68.868 -0.037 0.000 0.864 177 T HN 0.821 nan 8.240 nan 0.000 0.427 178 K N 1.366 121.701 120.400 -0.109 0.000 2.147 178 K HA -0.004 4.311 4.320 -0.009 0.000 0.205 178 K C 2.229 178.675 176.600 -0.257 0.000 1.049 178 K CA 1.207 57.400 56.287 -0.157 0.000 0.936 178 K CB -0.581 31.836 32.500 -0.139 0.000 0.722 178 K HN 0.312 nan 8.250 nan 0.000 0.446 179 L N 1.229 122.286 121.223 -0.276 0.000 2.072 179 L HA -0.019 4.315 4.340 -0.009 0.000 0.205 179 L C 2.809 179.585 176.870 -0.157 0.000 1.079 179 L CA 1.218 55.863 54.840 -0.324 0.000 0.752 179 L CB -0.888 41.021 42.059 -0.251 0.000 0.906 179 L HN 0.449 nan 8.230 nan 0.000 0.436 180 G N 0.529 109.281 108.800 -0.081 0.000 2.476 180 G HA2 -0.249 3.706 3.960 -0.009 0.000 0.218 180 G HA3 -0.249 3.706 3.960 -0.009 0.000 0.218 180 G C 1.598 176.479 174.900 -0.031 0.000 1.164 180 G CA 0.785 45.870 45.100 -0.025 0.000 0.768 180 G HN 0.252 nan 8.290 nan 0.000 0.560 181 L N -0.157 121.021 121.223 -0.076 0.000 2.141 181 L HA 0.030 4.365 4.340 -0.009 0.000 0.209 181 L C 2.834 179.653 176.870 -0.086 0.000 1.094 181 L CA 0.345 55.141 54.840 -0.072 0.000 0.763 181 L CB -0.358 41.651 42.059 -0.083 0.000 0.908 181 L HN 0.192 nan 8.230 nan 0.000 0.437 182 L N -0.441 120.668 121.223 -0.191 0.000 2.072 182 L HA -0.106 4.228 4.340 -0.009 0.000 0.205 182 L C 2.948 179.878 176.870 0.100 0.000 1.079 182 L CA 0.964 55.657 54.840 -0.246 0.000 0.752 182 L CB -0.784 40.736 42.059 -0.899 0.000 0.906 182 L HN 0.193 nan 8.230 nan 0.000 0.436 183 A N 0.816 123.760 122.820 0.206 0.000 1.892 183 A HA -0.259 4.055 4.320 -0.009 0.000 0.218 183 A C 2.080 179.797 177.584 0.221 0.000 1.188 183 A CA 2.233 54.471 52.037 0.335 0.000 0.631 183 A CB -0.720 18.433 19.000 0.254 0.000 0.822 183 A HN 0.474 nan 8.150 nan 0.000 0.447 184 N N 0.102 118.876 118.700 0.124 0.000 2.104 184 N HA -0.133 4.601 4.740 -0.009 0.000 0.190 184 N C 1.447 177.027 175.510 0.117 0.000 1.024 184 N CA 1.452 54.558 53.050 0.094 0.000 0.853 184 N CB -0.379 38.122 38.487 0.024 0.000 1.008 184 N HN 0.501 nan 8.380 nan 0.000 0.424 185 E N 0.003 120.265 120.200 0.103 0.000 2.358 185 E HA 0.041 4.385 4.350 -0.009 0.000 0.195 185 E C 1.789 178.497 176.600 0.179 0.000 1.010 185 E CA 0.203 56.663 56.400 0.100 0.000 0.856 185 E CB 0.012 29.737 29.700 0.042 0.000 0.795 185 E HN 0.326 nan 8.360 nan 0.000 0.504 186 M N 0.194 119.944 119.600 0.251 0.000 2.098 186 M HA -0.090 4.384 4.480 -0.009 0.000 0.262 186 M C 2.410 179.064 176.300 0.589 0.000 1.072 186 M CA 1.849 57.350 55.300 0.335 0.000 1.133 186 M CB -1.366 31.429 32.600 0.325 0.000 1.344 186 M HN 0.128 nan 8.290 nan 0.000 0.414 187 T N -2.160 112.680 114.554 0.477 0.000 3.009 187 T HA 0.080 4.424 4.350 -0.009 0.000 0.258 187 T C 1.165 176.079 174.700 0.356 0.000 1.063 187 T CA 0.294 62.656 62.100 0.436 0.000 1.139 187 T CB 0.043 69.073 68.868 0.269 0.000 0.890 187 T HN 0.288 nan 8.240 nan 0.000 0.471 188 R N 2.081 122.766 120.500 0.308 0.000 2.681 188 R HA 0.338 4.672 4.340 -0.009 0.000 0.277 188 R C -2.974 173.407 176.300 0.136 0.000 1.563 188 R CA -1.820 54.462 56.100 0.303 0.000 1.673 188 R CB 1.170 31.593 30.300 0.204 0.000 1.258 188 R HN 0.343 nan 8.270 nan 0.000 0.650 189 P HA 0.005 nan 4.420 nan 0.000 0.268 189 P C -0.210 177.020 177.300 -0.117 0.000 1.204 189 P CA 0.235 63.335 63.100 -0.000 0.000 0.768 189 P CB 0.984 32.699 31.700 0.024 0.000 0.842 190 S N 1.074 116.733 115.700 -0.069 0.000 2.572 190 S HA 0.532 4.997 4.470 -0.009 0.000 0.279 190 S C 0.727 175.266 174.600 -0.101 0.000 1.341 190 S CA 0.845 58.997 58.200 -0.080 0.000 1.043 190 S CB 0.093 63.265 63.200 -0.048 0.000 0.887 190 S HN 0.936 nan 8.310 nan 0.000 0.516 191 G N 1.620 110.360 108.800 -0.101 0.000 2.316 191 G HA2 0.012 3.967 3.960 -0.009 0.000 0.468 191 G HA3 0.012 3.967 3.960 -0.009 0.000 0.468 191 G C -0.588 174.247 174.900 -0.109 0.000 1.523 191 G CA -0.882 44.160 45.100 -0.096 0.000 0.972 191 G HN 0.542 nan 8.290 nan 0.000 0.667 192 N N -0.671 117.983 118.700 -0.076 0.000 2.184 192 N HA 0.185 4.919 4.740 -0.009 0.000 0.206 192 N C 0.222 175.692 175.510 -0.067 0.000 1.151 192 N CA 0.568 53.580 53.050 -0.063 0.000 0.878 192 N CB 1.575 40.045 38.487 -0.027 0.000 1.014 192 N HN 0.596 nan 8.380 nan 0.000 0.512 193 T N 0.111 114.597 114.554 -0.113 0.000 2.906 193 T HA 0.338 4.682 4.350 -0.009 0.000 0.295 193 T C -1.909 172.649 174.700 -0.235 0.000 1.075 193 T CA -1.910 60.053 62.100 -0.228 0.000 1.005 193 T CB 2.151 70.954 68.868 -0.109 0.000 1.136 193 T HN -0.266 nan 8.240 nan 0.000 0.498 194 P HA -0.066 nan 4.420 nan 0.000 0.215 194 P C 1.063 178.318 177.300 -0.075 0.000 1.157 194 P CA 1.235 64.245 63.100 -0.150 0.000 0.874 194 P CB 0.270 31.892 31.700 -0.130 0.000 0.790 195 E N -0.687 119.474 120.200 -0.066 0.000 2.110 195 E HA -0.191 4.154 4.350 -0.009 0.000 0.193 195 E C 1.985 178.568 176.600 -0.028 0.000 0.988 195 E CA 1.067 57.453 56.400 -0.023 0.000 0.804 195 E CB -0.261 29.438 29.700 -0.002 0.000 0.745 195 E HN 0.344 nan 8.360 nan 0.000 0.458 196 E N 0.211 120.384 120.200 -0.044 0.000 2.031 196 E HA -0.221 4.123 4.350 -0.009 0.000 0.193 196 E C 2.193 178.762 176.600 -0.051 0.000 0.994 196 E CA 1.082 57.456 56.400 -0.044 0.000 0.800 196 E CB -0.005 29.665 29.700 -0.050 0.000 0.752 196 E HN 0.277 nan 8.360 nan 0.000 0.447 197 Q N -0.235 119.520 119.800 -0.076 0.000 2.096 197 Q HA -0.154 4.180 4.340 -0.009 0.000 0.204 197 Q C 2.368 178.356 176.000 -0.019 0.000 0.982 197 Q CA 1.280 57.035 55.803 -0.080 0.000 0.850 197 Q CB -0.326 28.323 28.738 -0.147 0.000 0.901 197 Q HN 0.363 nan 8.270 nan 0.000 0.422 198 G N 1.005 109.802 108.800 -0.005 0.000 2.476 198 G HA2 -0.297 3.657 3.960 -0.009 0.000 0.218 198 G HA3 -0.297 3.657 3.960 -0.009 0.000 0.218 198 G C 1.438 176.335 174.900 -0.004 0.000 1.164 198 G CA 0.757 45.865 45.100 0.013 0.000 0.768 198 G HN 0.215 nan 8.290 nan 0.000 0.560 199 R N 0.150 120.642 120.500 -0.014 0.000 2.073 199 R HA -0.000 4.334 4.340 -0.009 0.000 0.229 199 R C 3.082 179.368 176.300 -0.023 0.000 1.120 199 R CA 1.247 57.335 56.100 -0.019 0.000 0.967 199 R CB -0.221 30.068 30.300 -0.018 0.000 0.862 199 R HN 0.355 nan 8.270 nan 0.000 0.436 200 S N 1.398 117.086 115.700 -0.021 0.000 2.370 200 S HA -0.143 4.322 4.470 -0.009 0.000 0.226 200 S C 1.751 176.349 174.600 -0.004 0.000 1.033 200 S CA 0.937 59.127 58.200 -0.016 0.000 1.011 200 S CB -0.280 62.908 63.200 -0.020 0.000 0.852 200 S HN 0.230 nan 8.310 nan 0.000 0.457 201 L N 2.192 123.420 121.223 0.007 0.000 1.994 201 L HA -0.081 4.254 4.340 -0.009 0.000 0.208 201 L C 2.366 179.205 176.870 -0.051 0.000 1.071 201 L CA 2.115 56.958 54.840 0.004 0.000 0.745 201 L CB -1.472 40.595 42.059 0.013 0.000 0.892 201 L HN 0.401 nan 8.230 nan 0.000 0.431 202 E N -0.285 119.878 120.200 -0.062 0.000 2.086 202 E HA -0.289 4.055 4.350 -0.009 0.000 0.205 202 E C 2.037 178.579 176.600 -0.097 0.000 1.027 202 E CA 2.024 58.368 56.400 -0.094 0.000 0.830 202 E CB -0.087 29.573 29.700 -0.068 0.000 0.751 202 E HN 0.593 nan 8.360 nan 0.000 0.456 203 A N 0.917 123.700 122.820 -0.061 0.000 1.902 203 A HA -0.070 4.244 4.320 -0.009 0.000 0.217 203 A C 2.419 179.971 177.584 -0.052 0.000 1.181 203 A CA 1.950 53.955 52.037 -0.054 0.000 0.623 203 A CB -0.859 18.118 19.000 -0.038 0.000 0.818 203 A HN 0.458 nan 8.150 nan 0.000 0.443 204 A N -0.035 122.766 122.820 -0.031 0.000 1.902 204 A HA -0.232 4.082 4.320 -0.009 0.000 0.217 204 A C 1.963 179.578 177.584 0.051 0.000 1.181 204 A CA 1.932 53.966 52.037 -0.004 0.000 0.623 204 A CB -0.882 18.154 19.000 0.060 0.000 0.818 204 A HN 0.702 nan 8.150 nan 0.000 0.443 205 N N -0.673 118.020 118.700 -0.011 0.000 2.069 205 N HA -0.206 4.528 4.740 -0.009 0.000 0.191 205 N C 1.923 177.301 175.510 -0.219 0.000 1.031 205 N CA 1.699 54.674 53.050 -0.124 0.000 0.852 205 N CB -0.156 38.123 38.487 -0.346 0.000 1.018 205 N HN 0.556 nan 8.380 nan 0.000 0.423 206 K N 0.098 120.373 120.400 -0.208 0.000 2.057 206 K HA -0.095 4.219 4.320 -0.009 0.000 0.206 206 K C 2.040 178.653 176.600 0.021 0.000 1.050 206 K CA 1.392 57.594 56.287 -0.140 0.000 0.935 206 K CB -0.400 32.040 32.500 -0.101 0.000 0.715 206 K HN 0.250 nan 8.250 nan 0.000 0.439 207 G N 0.780 109.576 108.800 -0.007 0.000 2.513 207 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.219 207 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.219 207 G C 1.341 176.270 174.900 0.048 0.000 1.160 207 G CA 1.058 46.144 45.100 -0.024 0.000 0.767 207 G HN 0.322 nan 8.290 nan 0.000 0.571 208 F N -0.393 119.616 119.950 0.099 0.000 2.134 208 F HA 0.064 4.586 4.527 -0.010 0.000 0.299 208 F C 2.491 178.500 175.800 0.348 0.000 1.097 208 F CA 0.737 58.853 58.000 0.195 0.000 1.264 208 F CB -0.205 38.888 39.000 0.155 0.000 1.001 208 F HN 0.022 nan 8.300 nan 0.000 0.479 209 F N 0.849 120.914 119.950 0.191 0.000 2.126 209 F HA -0.194 4.327 4.527 -0.009 0.000 0.299 209 F C 2.314 178.165 175.800 0.086 0.000 1.096 209 F CA 1.271 59.332 58.000 0.101 0.000 1.255 209 F CB -1.237 37.786 39.000 0.039 0.000 0.997 209 F HN 0.073 nan 8.300 nan 0.000 0.479 210 E N -1.446 118.919 120.200 0.276 0.000 2.077 210 E HA -0.275 4.070 4.350 -0.009 0.000 0.193 210 E C 2.039 178.725 176.600 0.143 0.000 0.989 210 E CA 1.436 57.930 56.400 0.157 0.000 0.800 210 E CB -0.511 29.255 29.700 0.110 0.000 0.746 210 E HN 0.504 nan 8.360 nan 0.000 0.452 211 Y N 0.379 120.722 120.300 0.072 0.000 2.293 211 Y HA -0.150 4.394 4.550 -0.008 0.000 0.291 211 Y C 2.010 177.945 175.900 0.059 0.000 1.137 211 Y CA 0.897 59.026 58.100 0.047 0.000 1.202 211 Y CB 0.109 38.587 38.460 0.030 0.000 0.990 211 Y HN -0.164 nan 8.280 nan 0.000 0.537 212 V N -0.210 119.778 119.914 0.123 0.000 2.725 212 V HA -0.050 4.064 4.120 -0.009 0.000 0.247 212 V C 2.487 178.538 176.094 -0.071 0.000 1.058 212 V CA 1.085 63.407 62.300 0.037 0.000 1.080 212 V CB -0.686 31.237 31.823 0.167 0.000 0.713 212 V HN 0.535 nan 8.190 nan 0.000 0.465 213 A N 1.248 124.033 122.820 -0.058 0.000 1.903 213 A HA -0.186 4.129 4.320 -0.009 0.000 0.219 213 A C 0.379 177.914 177.584 -0.081 0.000 1.191 213 A CA 2.515 54.509 52.037 -0.073 0.000 0.638 213 A CB -2.017 16.959 19.000 -0.039 0.000 0.823 213 A HN 0.558 nan 8.150 nan 0.000 0.451 214 P HA -0.042 nan 4.420 nan 0.000 0.221 214 P C 1.268 178.503 177.300 -0.109 0.000 1.150 214 P CA 0.803 63.843 63.100 -0.099 0.000 0.800 214 P CB -0.135 31.495 31.700 -0.116 0.000 0.787 215 I N -1.167 119.318 120.570 -0.142 0.000 2.233 215 I HA -0.184 3.980 4.170 -0.009 0.000 0.243 215 I C 2.381 178.452 176.117 -0.076 0.000 1.093 215 I CA 1.193 62.424 61.300 -0.116 0.000 1.380 215 I CB -0.584 37.336 38.000 -0.132 0.000 1.067 215 I HN -0.182 nan 8.210 nan 0.000 0.413 216 I N 0.779 121.304 120.570 -0.074 0.000 2.127 216 I HA -0.346 3.818 4.170 -0.009 0.000 0.241 216 I C 2.815 178.900 176.117 -0.053 0.000 1.075 216 I CA 1.580 62.843 61.300 -0.060 0.000 1.334 216 I CB -0.543 37.413 38.000 -0.073 0.000 1.040 216 I HN 0.209 nan 8.210 nan 0.000 0.405 217 A N 0.663 123.449 122.820 -0.056 0.000 1.892 217 A HA -0.260 4.054 4.320 -0.009 0.000 0.218 217 A C 2.485 180.044 177.584 -0.042 0.000 1.188 217 A CA 2.288 54.298 52.037 -0.046 0.000 0.631 217 A CB -1.006 17.968 19.000 -0.045 0.000 0.822 217 A HN 0.481 nan 8.150 nan 0.000 0.447 218 A N -1.194 121.598 122.820 -0.048 0.000 2.014 218 A HA -0.024 4.290 4.320 -0.009 0.000 0.218 218 A C 2.167 179.728 177.584 -0.037 0.000 1.163 218 A CA 1.553 53.564 52.037 -0.043 0.000 0.652 218 A CB -0.233 18.737 19.000 -0.049 0.000 0.808 218 A HN 0.500 nan 8.150 nan 0.000 0.449 219 R N -0.941 119.536 120.500 -0.039 0.000 2.334 219 R HA 0.178 4.512 4.340 -0.009 0.000 0.212 219 R C 0.090 176.374 176.300 -0.028 0.000 0.897 219 R CA -0.248 55.832 56.100 -0.033 0.000 1.056 219 R CB 0.264 30.543 30.300 -0.034 0.000 1.046 219 R HN 0.329 nan 8.270 nan 0.000 0.513 220 R N 0.598 121.081 120.500 -0.028 0.000 2.502 220 R HA 0.039 4.373 4.340 -0.009 0.000 0.292 220 R C 0.836 177.123 176.300 -0.021 0.000 0.998 220 R CA 1.019 57.105 56.100 -0.023 0.000 1.056 220 R CB 0.162 30.448 30.300 -0.023 0.000 0.939 220 R HN 0.402 nan 8.270 nan 0.000 0.411 221 G N 2.286 111.074 108.800 -0.019 0.000 2.228 221 G HA2 -0.324 3.631 3.960 -0.009 0.000 0.270 221 G HA3 -0.324 3.631 3.960 -0.009 0.000 0.270 221 G C 0.680 175.568 174.900 -0.019 0.000 0.976 221 G CA 0.329 45.418 45.100 -0.018 0.000 0.636 221 G HN 0.895 nan 8.290 nan 0.000 0.542 222 G N -1.409 107.379 108.800 -0.021 0.000 2.712 222 G HA2 0.538 4.493 3.960 -0.009 0.000 0.258 222 G HA3 0.538 4.493 3.960 -0.009 0.000 0.258 222 G C 0.770 175.658 174.900 -0.021 0.000 1.241 222 G CA 1.156 46.243 45.100 -0.021 0.000 0.923 222 G HN 1.136 nan 8.290 nan 0.000 0.548 223 S N -2.680 113.007 115.700 -0.021 0.000 6.311 223 S HA 0.472 4.937 4.470 -0.009 0.000 0.100 223 S C 0.156 174.744 174.600 -0.019 0.000 1.196 223 S CA 1.246 59.433 58.200 -0.020 0.000 1.375 223 S CB -0.031 63.156 63.200 -0.022 0.000 1.972 223 S HN 2.302 nan 8.310 nan 0.000 0.578 224 G N 1.711 110.499 108.800 -0.021 0.000 2.789 224 G HA2 0.172 4.126 3.960 -0.009 0.000 0.353 224 G HA3 0.172 4.126 3.960 -0.009 0.000 0.353 224 G C -0.109 174.775 174.900 -0.026 0.000 1.220 224 G CA 0.400 45.485 45.100 -0.024 0.000 1.204 224 G HN 0.892 nan 8.290 nan 0.000 0.574 225 T N -1.201 113.336 114.554 -0.028 0.000 3.129 225 T HA 0.341 4.685 4.350 -0.009 0.000 0.267 225 T C 0.656 175.332 174.700 -0.039 0.000 1.018 225 T CA 0.562 62.644 62.100 -0.030 0.000 0.903 225 T CB 0.072 68.924 68.868 -0.026 0.000 1.067 225 T HN 0.756 nan 8.240 nan 0.000 0.549 226 D N 1.063 121.435 120.400 -0.047 0.000 2.384 226 D HA 0.033 4.668 4.640 -0.009 0.000 0.244 226 D C 1.350 177.609 176.300 -0.069 0.000 1.251 226 D CA -0.715 53.245 54.000 -0.067 0.000 0.961 226 D CB 1.270 42.027 40.800 -0.071 0.000 1.116 226 D HN 0.048 nan 8.370 nan 0.000 0.484 227 L N 0.360 121.521 121.223 -0.103 0.000 2.042 227 L HA -0.158 4.177 4.340 -0.009 0.000 0.210 227 L C 2.265 179.106 176.870 -0.048 0.000 1.076 227 L CA 1.459 56.247 54.840 -0.087 0.000 0.749 227 L CB -0.455 41.510 42.059 -0.157 0.000 0.893 227 L HN 0.526 nan 8.230 nan 0.000 0.432 228 I N -1.141 119.398 120.570 -0.052 0.000 2.163 228 I HA -0.300 3.864 4.170 -0.009 0.000 0.240 228 I C 2.529 178.636 176.117 -0.017 0.000 1.081 228 I CA 1.842 63.131 61.300 -0.017 0.000 1.353 228 I CB -0.872 37.122 38.000 -0.010 0.000 1.054 228 I HN 0.449 nan 8.210 nan 0.000 0.407 229 T N 0.306 114.844 114.554 -0.027 0.000 2.821 229 T HA -0.161 4.183 4.350 -0.009 0.000 0.267 229 T C 2.040 176.728 174.700 -0.020 0.000 1.046 229 T CA 1.145 63.231 62.100 -0.023 0.000 1.139 229 T CB -0.199 68.653 68.868 -0.026 0.000 0.871 229 T HN 0.253 nan 8.240 nan 0.000 0.454 230 R N 0.167 120.654 120.500 -0.022 0.000 2.096 230 R HA 0.002 4.336 4.340 -0.009 0.000 0.240 230 R C 2.526 178.819 176.300 -0.011 0.000 1.139 230 R CA 2.057 58.145 56.100 -0.018 0.000 0.952 230 R CB -0.475 29.812 30.300 -0.021 0.000 0.854 230 R HN 0.475 nan 8.270 nan 0.000 0.436 231 I N 0.327 120.895 120.570 -0.003 0.000 2.400 231 I HA -0.198 3.966 4.170 -0.009 0.000 0.248 231 I C 2.419 178.542 176.117 0.011 0.000 1.109 231 I CA 0.614 61.919 61.300 0.008 0.000 1.425 231 I CB -0.181 37.835 38.000 0.026 0.000 1.094 231 I HN 0.187 nan 8.210 nan 0.000 0.425 232 L N 1.035 122.263 121.223 0.008 0.000 2.129 232 L HA -0.226 4.108 4.340 -0.009 0.000 0.212 232 L C 1.560 178.431 176.870 0.001 0.000 1.087 232 L CA 1.621 56.466 54.840 0.008 0.000 0.757 232 L CB -0.346 41.711 42.059 -0.004 0.000 0.896 232 L HN 0.411 nan 8.230 nan 0.000 0.434 233 N N -0.685 118.009 118.700 -0.009 0.000 2.270 233 N HA 0.048 4.782 4.740 -0.009 0.000 0.198 233 N C -0.078 175.419 175.510 -0.022 0.000 1.117 233 N CA 0.047 53.088 53.050 -0.015 0.000 0.845 233 N CB 0.751 39.227 38.487 -0.017 0.000 0.980 233 N HN 0.062 nan 8.380 nan 0.000 0.486 234 V N 2.171 122.071 119.914 -0.024 0.000 2.508 234 V HA 0.029 4.144 4.120 -0.009 0.000 0.281 234 V C 0.755 176.815 176.094 -0.056 0.000 1.041 234 V CA -0.359 61.916 62.300 -0.041 0.000 1.016 234 V CB 0.868 32.663 31.823 -0.046 0.000 0.984 234 V HN 0.108 nan 8.190 nan 0.000 0.478 235 E N 4.522 124.685 120.200 -0.062 0.000 2.383 235 E HA 0.254 4.598 4.350 -0.009 0.000 0.264 235 E C -0.767 175.760 176.600 -0.121 0.000 1.050 235 E CA -0.359 55.997 56.400 -0.072 0.000 0.896 235 E CB 0.910 30.576 29.700 -0.057 0.000 0.982 235 E HN 0.373 nan 8.360 nan 0.000 0.424 236 I N 2.931 123.420 120.570 -0.135 0.000 2.362 236 I HA 0.058 4.222 4.170 -0.009 0.000 0.289 236 I C -0.377 175.668 176.117 -0.120 0.000 0.994 236 I CA -0.512 60.664 61.300 -0.206 0.000 1.158 236 I CB 1.005 38.825 38.000 -0.301 0.000 1.315 236 I HN 0.545 nan 8.210 nan 0.000 0.451 237 D N 5.555 125.888 120.400 -0.111 0.000 2.810 237 D HA -0.201 4.434 4.640 -0.009 0.000 0.224 237 D C 1.299 177.570 176.300 -0.049 0.000 1.222 237 D CA 1.310 55.269 54.000 -0.068 0.000 0.698 237 D CB -0.910 39.860 40.800 -0.051 0.000 0.961 237 D HN 1.122 nan 8.370 nan 0.000 0.403 238 G N 0.126 108.895 108.800 -0.051 0.000 2.186 238 G HA2 -0.379 3.576 3.960 -0.009 0.000 0.266 238 G HA3 -0.379 3.576 3.960 -0.009 0.000 0.266 238 G C 0.330 175.211 174.900 -0.032 0.000 0.982 238 G CA 1.410 46.487 45.100 -0.038 0.000 0.670 238 G HN 0.819 nan 8.290 nan 0.000 0.533 239 K N -1.371 119.008 120.400 -0.035 0.000 2.466 239 K HA 0.743 5.058 4.320 -0.009 0.000 0.260 239 K C -3.276 173.309 176.600 -0.025 0.000 1.011 239 K CA -2.572 53.701 56.287 -0.025 0.000 0.871 239 K CB 1.569 34.060 32.500 -0.016 0.000 1.404 239 K HN -0.074 nan 8.250 nan 0.000 0.450 240 P HA -0.051 nan 4.420 nan 0.000 0.266 240 P C -0.437 176.867 177.300 0.007 0.000 1.193 240 P CA 0.245 63.339 63.100 -0.009 0.000 0.770 240 P CB 0.342 32.038 31.700 -0.006 0.000 0.836 241 M N 4.248 123.863 119.600 0.025 0.000 2.260 241 M HA 0.054 4.528 4.480 -0.009 0.000 0.348 241 M C -1.672 174.668 176.300 0.067 0.000 1.342 241 M CA -0.930 54.424 55.300 0.089 0.000 1.040 241 M CB -0.309 32.366 32.600 0.125 0.000 1.810 241 M HN 0.229 nan 8.290 nan 0.000 0.453 242 P HA 0.005 nan 4.420 nan 0.000 0.271 242 P C -0.234 177.064 177.300 -0.002 0.000 1.233 242 P CA -0.105 63.016 63.100 0.036 0.000 0.789 242 P CB 0.582 32.309 31.700 0.044 0.000 0.951 243 D N 0.364 120.749 120.400 -0.025 0.000 2.117 243 D HA -0.169 4.465 4.640 -0.009 0.000 0.197 243 D C 1.458 177.695 176.300 -0.106 0.000 0.987 243 D CA 1.517 55.480 54.000 -0.062 0.000 0.829 243 D CB -0.476 40.294 40.800 -0.050 0.000 0.961 243 D HN 0.521 nan 8.370 nan 0.000 0.460 244 D N 0.396 120.751 120.400 -0.077 0.000 2.123 244 D HA -0.185 4.450 4.640 -0.009 0.000 0.196 244 D C 1.804 178.008 176.300 -0.160 0.000 0.992 244 D CA 1.001 54.947 54.000 -0.090 0.000 0.833 244 D CB -0.423 40.362 40.800 -0.025 0.000 0.954 244 D HN 0.109 nan 8.370 nan 0.000 0.455 245 R N 0.617 121.023 120.500 -0.157 0.000 2.073 245 R HA 0.157 4.491 4.340 -0.009 0.000 0.229 245 R C 2.495 178.648 176.300 -0.245 0.000 1.120 245 R CA 1.101 57.039 56.100 -0.270 0.000 0.967 245 R CB -0.809 29.281 30.300 -0.350 0.000 0.862 245 R HN 0.344 nan 8.270 nan 0.000 0.436 246 A N 1.602 124.330 122.820 -0.154 0.000 1.908 246 A HA -0.135 4.180 4.320 -0.009 0.000 0.218 246 A C 2.363 179.809 177.584 -0.229 0.000 1.181 246 A CA 1.207 53.166 52.037 -0.129 0.000 0.627 246 A CB -0.619 18.331 19.000 -0.084 0.000 0.818 246 A HN 0.169 nan 8.150 nan 0.000 0.445 247 L N -0.826 120.166 121.223 -0.385 0.000 2.046 247 L HA -0.130 4.204 4.340 -0.009 0.000 0.208 247 L C 2.828 179.271 176.870 -0.712 0.000 1.077 247 L CA 1.189 55.611 54.840 -0.697 0.000 0.747 247 L CB -0.751 40.576 42.059 -1.220 0.000 0.896 247 L HN 0.490 nan 8.230 nan 0.000 0.432 248 G N -0.373 108.115 108.800 -0.519 0.000 2.422 248 G HA2 -0.212 3.742 3.960 -0.009 0.000 0.218 248 G HA3 -0.212 3.742 3.960 -0.009 0.000 0.218 248 G C 1.637 176.448 174.900 -0.148 0.000 1.140 248 G CA 0.503 45.494 45.100 -0.182 0.000 0.775 248 G HN 0.255 nan 8.290 nan 0.000 0.545 249 L N 0.463 121.589 121.223 -0.163 0.000 2.023 249 L HA -0.018 4.316 4.340 -0.009 0.000 0.205 249 L C 2.930 179.775 176.870 -0.042 0.000 1.073 249 L CA 0.932 55.721 54.840 -0.086 0.000 0.745 249 L CB -0.204 41.821 42.059 -0.057 0.000 0.900 249 L HN 0.099 nan 8.230 nan 0.000 0.435 250 V N -0.561 119.325 119.914 -0.047 0.000 2.392 250 V HA -0.268 3.847 4.120 -0.009 0.000 0.249 250 V C 2.590 178.708 176.094 0.040 0.000 1.059 250 V CA 1.946 64.256 62.300 0.017 0.000 1.051 250 V CB -0.695 31.137 31.823 0.016 0.000 0.658 250 V HN 0.450 nan 8.190 nan 0.000 0.455 251 S N 0.210 115.902 115.700 -0.014 0.000 2.368 251 S HA -0.179 4.285 4.470 -0.009 0.000 0.225 251 S C 1.892 176.321 174.600 -0.285 0.000 1.030 251 S CA 1.777 59.927 58.200 -0.084 0.000 0.999 251 S CB -0.425 62.778 63.200 0.005 0.000 0.844 251 S HN 0.476 nan 8.310 nan 0.000 0.459 252 L N 1.917 123.035 121.223 -0.176 0.000 2.056 252 L HA 0.026 4.360 4.340 -0.009 0.000 0.207 252 L C 1.949 178.765 176.870 -0.091 0.000 1.078 252 L CA 1.468 56.221 54.840 -0.145 0.000 0.749 252 L CB -0.591 41.435 42.059 -0.056 0.000 0.901 252 L HN 0.269 nan 8.230 nan 0.000 0.433 253 L N -1.167 120.051 121.223 -0.008 0.000 2.013 253 L HA -0.284 4.050 4.340 -0.009 0.000 0.212 253 L C 2.520 179.379 176.870 -0.018 0.000 1.073 253 L CA 1.633 56.520 54.840 0.078 0.000 0.753 253 L CB -0.652 41.547 42.059 0.234 0.000 0.890 253 L HN 0.332 nan 8.230 nan 0.000 0.432 254 L N -1.095 120.151 121.223 0.038 0.000 2.072 254 L HA -0.210 4.124 4.340 -0.009 0.000 0.205 254 L C 2.515 179.309 176.870 -0.126 0.000 1.079 254 L CA 0.574 55.450 54.840 0.060 0.000 0.752 254 L CB -0.405 41.813 42.059 0.265 0.000 0.906 254 L HN 0.223 nan 8.230 nan 0.000 0.436 255 L N 0.228 121.289 121.223 -0.270 0.000 1.994 255 L HA -0.086 4.248 4.340 -0.009 0.000 0.208 255 L C 2.371 179.164 176.870 -0.128 0.000 1.071 255 L CA 2.254 56.957 54.840 -0.228 0.000 0.745 255 L CB -1.125 40.714 42.059 -0.367 0.000 0.892 255 L HN 0.140 nan 8.230 nan 0.000 0.431 256 G N -1.237 107.475 108.800 -0.147 0.000 2.418 256 G HA2 -0.213 3.741 3.960 -0.009 0.000 0.217 256 G HA3 -0.213 3.741 3.960 -0.009 0.000 0.217 256 G C 1.526 176.256 174.900 -0.283 0.000 1.158 256 G CA 0.555 45.576 45.100 -0.132 0.000 0.771 256 G HN 0.609 nan 8.290 nan 0.000 0.545 257 G N 0.034 108.450 108.800 -0.641 0.000 2.462 257 G HA2 -0.037 3.917 3.960 -0.009 0.000 0.220 257 G HA3 -0.037 3.917 3.960 -0.009 0.000 0.220 257 G C 1.495 176.024 174.900 -0.619 0.000 1.121 257 G CA 0.909 45.284 45.100 -1.209 0.000 0.758 257 G HN 0.317 nan 8.290 nan 0.000 0.559 258 L N -0.001 121.026 121.223 -0.326 0.000 2.416 258 L HA 0.286 4.621 4.340 -0.009 0.000 0.188 258 L C 2.207 179.062 176.870 -0.025 0.000 1.145 258 L CA 0.971 55.745 54.840 -0.109 0.000 0.826 258 L CB -1.214 40.829 42.059 -0.027 0.000 1.064 258 L HN 0.034 nan 8.230 nan 0.000 0.490 259 D N -0.397 120.011 120.400 0.013 0.000 2.123 259 D HA -0.170 4.464 4.640 -0.009 0.000 0.196 259 D C 2.041 178.396 176.300 0.092 0.000 0.992 259 D CA 1.883 55.921 54.000 0.064 0.000 0.833 259 D CB 0.281 41.138 40.800 0.095 0.000 0.954 259 D HN 0.435 nan 8.370 nan 0.000 0.455 260 T N -2.003 112.602 114.554 0.085 0.000 2.732 260 T HA -0.091 4.253 4.350 -0.009 0.000 0.261 260 T C 2.200 177.029 174.700 0.215 0.000 1.040 260 T CA 1.286 63.471 62.100 0.140 0.000 1.145 260 T CB -0.854 68.085 68.868 0.119 0.000 0.866 260 T HN -0.029 nan 8.240 nan 0.000 0.427 261 V N 1.629 121.651 119.914 0.180 0.000 2.343 261 V HA -0.135 3.980 4.120 -0.009 0.000 0.247 261 V C 2.937 179.211 176.094 0.301 0.000 1.051 261 V CA 1.166 63.622 62.300 0.259 0.000 1.036 261 V CB -0.899 31.033 31.823 0.181 0.000 0.654 261 V HN 0.351 nan 8.190 nan 0.000 0.451 262 V N 0.925 120.954 119.914 0.192 0.000 2.252 262 V HA -0.312 3.802 4.120 -0.009 0.000 0.249 262 V C 2.350 178.556 176.094 0.187 0.000 1.056 262 V CA 2.493 64.888 62.300 0.157 0.000 1.022 262 V CB -0.791 31.081 31.823 0.082 0.000 0.641 262 V HN 0.600 nan 8.190 nan 0.000 0.445 263 N N -0.760 118.064 118.700 0.205 0.000 2.135 263 N HA -0.110 4.625 4.740 -0.009 0.000 0.186 263 N C 1.770 177.498 175.510 0.363 0.000 1.027 263 N CA 1.473 54.651 53.050 0.213 0.000 0.849 263 N CB -0.487 38.142 38.487 0.236 0.000 1.002 263 N HN 0.500 nan 8.380 nan 0.000 0.425 264 F N 2.474 122.601 119.950 0.296 0.000 2.063 264 F HA -0.240 4.283 4.527 -0.007 0.000 0.298 264 F C 2.200 178.107 175.800 0.179 0.000 1.105 264 F CA 1.462 59.633 58.000 0.285 0.000 1.215 264 F CB -0.454 38.678 39.000 0.219 0.000 0.972 264 F HN -0.049 nan 8.300 nan 0.000 0.483 265 L N -0.171 121.243 121.223 0.317 0.000 2.043 265 L HA -0.235 4.099 4.340 -0.009 0.000 0.212 265 L C 2.777 179.705 176.870 0.098 0.000 1.075 265 L CA 1.465 56.445 54.840 0.233 0.000 0.752 265 L CB -1.592 40.751 42.059 0.473 0.000 0.891 265 L HN 0.423 nan 8.230 nan 0.000 0.432 266 G N -0.616 108.243 108.800 0.098 0.000 2.404 266 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.215 266 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.215 266 G C 1.318 176.057 174.900 -0.268 0.000 1.174 266 G CA 0.379 45.462 45.100 -0.027 0.000 0.780 266 G HN 0.173 nan 8.290 nan 0.000 0.537 267 F N 0.433 120.274 119.950 -0.182 0.000 2.126 267 F HA -0.008 4.514 4.527 -0.009 0.000 0.299 267 F C 2.754 178.010 175.800 -0.906 0.000 1.096 267 F CA 1.602 59.430 58.000 -0.286 0.000 1.255 267 F CB -0.344 38.619 39.000 -0.061 0.000 0.997 267 F HN 0.093 nan 8.300 nan 0.000 0.479 268 M N -0.852 118.079 119.600 -1.116 0.000 2.086 268 M HA -0.242 4.232 4.480 -0.009 0.000 0.261 268 M C 2.205 178.054 176.300 -0.752 0.000 1.067 268 M CA 1.791 56.156 55.300 -1.558 0.000 1.116 268 M CB -0.199 31.710 32.600 -1.151 0.000 1.348 268 M HN 0.246 nan 8.290 nan 0.000 0.407 269 M N 0.608 119.848 119.600 -0.600 0.000 2.254 269 M HA -0.016 4.459 4.480 -0.009 0.000 0.265 269 M C 1.649 177.736 176.300 -0.355 0.000 1.066 269 M CA 1.500 56.429 55.300 -0.619 0.000 1.123 269 M CB -0.421 31.394 32.600 -1.308 0.000 1.388 269 M HN 0.320 nan 8.290 nan 0.000 0.425 270 I N -1.524 118.891 120.570 -0.257 0.000 2.226 270 I HA -0.341 3.824 4.170 -0.009 0.000 0.245 270 I C 2.191 178.328 176.117 0.032 0.000 1.100 270 I CA 1.485 62.743 61.300 -0.070 0.000 1.374 270 I CB -0.548 37.475 38.000 0.037 0.000 1.057 270 I HN 0.293 nan 8.210 nan 0.000 0.413 271 Y N 1.390 121.648 120.300 -0.070 0.000 2.145 271 Y HA -0.223 4.323 4.550 -0.008 0.000 0.286 271 Y C 2.345 178.327 175.900 0.136 0.000 1.145 271 Y CA 1.612 59.781 58.100 0.116 0.000 1.148 271 Y CB -0.124 38.457 38.460 0.202 0.000 0.981 271 Y HN -0.006 nan 8.280 nan 0.000 0.507 272 L N -0.148 121.194 121.223 0.199 0.000 2.079 272 L HA -0.235 4.100 4.340 -0.009 0.000 0.210 272 L C 2.622 179.405 176.870 -0.145 0.000 1.081 272 L CA 1.668 56.560 54.840 0.087 0.000 0.752 272 L CB -0.877 41.236 42.059 0.089 0.000 0.896 272 L HN 0.377 nan 8.230 nan 0.000 0.433 273 S N -0.515 115.139 115.700 -0.077 0.000 2.515 273 S HA -0.095 4.370 4.470 -0.009 0.000 0.231 273 S C 1.791 176.265 174.600 -0.209 0.000 0.987 273 S CA 0.450 58.556 58.200 -0.158 0.000 0.936 273 S CB -0.163 63.095 63.200 0.097 0.000 0.766 273 S HN 0.432 nan 8.310 nan 0.000 0.528 274 R N -0.332 120.027 120.500 -0.235 0.000 2.472 274 R HA 0.268 4.603 4.340 -0.009 0.000 0.279 274 R C -0.496 175.387 176.300 -0.697 0.000 0.953 274 R CA 0.058 55.927 56.100 -0.385 0.000 1.088 274 R CB 0.273 30.355 30.300 -0.362 0.000 1.197 274 R HN 0.509 nan 8.270 nan 0.000 0.536 275 H N -0.102 118.765 119.070 -0.338 0.000 2.380 275 H HA 0.154 4.706 4.556 -0.008 0.000 0.231 275 H C -1.858 173.341 175.328 -0.214 0.000 1.415 275 H CA -1.656 54.218 56.048 -0.291 0.000 1.433 275 H CB 1.137 30.664 29.762 -0.391 0.000 1.544 275 H HN -0.036 nan 8.280 nan 0.000 0.503 276 P HA -0.181 nan 4.420 nan 0.000 0.217 276 P C 0.834 178.082 177.300 -0.087 0.000 1.150 276 P CA 1.151 64.145 63.100 -0.175 0.000 0.832 276 P CB 0.614 32.216 31.700 -0.163 0.000 0.787 277 E N 0.208 120.383 120.200 -0.043 0.000 2.085 277 E HA -0.182 4.162 4.350 -0.009 0.000 0.194 277 E C 2.204 178.813 176.600 0.016 0.000 0.994 277 E CA 2.075 58.472 56.400 -0.006 0.000 0.801 277 E CB -1.859 27.848 29.700 0.012 0.000 0.743 277 E HN 0.307 nan 8.360 nan 0.000 0.453 278 T N -0.219 114.361 114.554 0.043 0.000 2.904 278 T HA -0.057 4.288 4.350 -0.009 0.000 0.267 278 T C 1.933 176.656 174.700 0.039 0.000 1.059 278 T CA 0.948 63.083 62.100 0.059 0.000 1.137 278 T CB -0.388 68.542 68.868 0.104 0.000 0.879 278 T HN 0.053 nan 8.240 nan 0.000 0.467 279 V N 2.152 122.065 119.914 -0.001 0.000 2.287 279 V HA -0.093 4.021 4.120 -0.009 0.000 0.248 279 V C 3.252 179.351 176.094 0.010 0.000 1.053 279 V CA 1.894 64.186 62.300 -0.014 0.000 1.027 279 V CB -1.507 30.230 31.823 -0.142 0.000 0.646 279 V HN 0.688 nan 8.190 nan 0.000 0.447 280 A N -0.515 122.300 122.820 -0.007 0.000 1.933 280 A HA -0.261 4.054 4.320 -0.009 0.000 0.218 280 A C 2.157 179.753 177.584 0.020 0.000 1.175 280 A CA 1.948 53.989 52.037 0.007 0.000 0.628 280 A CB -0.493 18.505 19.000 -0.004 0.000 0.814 280 A HN 0.644 nan 8.150 nan 0.000 0.444 281 E N -0.578 119.635 120.200 0.023 0.000 2.058 281 E HA -0.214 4.131 4.350 -0.009 0.000 0.194 281 E C 2.090 178.711 176.600 0.035 0.000 0.997 281 E CA 1.638 58.056 56.400 0.029 0.000 0.801 281 E CB -0.302 29.416 29.700 0.031 0.000 0.746 281 E HN 0.679 nan 8.360 nan 0.000 0.450 282 M N -0.007 119.619 119.600 0.042 0.000 2.159 282 M HA -0.152 4.323 4.480 -0.009 0.000 0.263 282 M C 2.374 178.705 176.300 0.051 0.000 1.063 282 M CA 1.311 56.642 55.300 0.051 0.000 1.110 282 M CB -0.182 32.456 32.600 0.062 0.000 1.374 282 M HN 0.002 nan 8.290 nan 0.000 0.411 283 R N 0.013 120.543 120.500 0.049 0.000 2.066 283 R HA -0.059 4.275 4.340 -0.009 0.000 0.232 283 R C 2.348 178.669 176.300 0.036 0.000 1.131 283 R CA 1.184 57.312 56.100 0.046 0.000 0.955 283 R CB -0.069 30.258 30.300 0.045 0.000 0.851 283 R HN 0.322 nan 8.270 nan 0.000 0.432 284 R N 0.529 121.047 120.500 0.031 0.000 2.148 284 R HA -0.033 4.302 4.340 -0.009 0.000 0.227 284 R C 0.162 176.479 176.300 0.028 0.000 1.103 284 R CA 0.941 57.057 56.100 0.027 0.000 0.983 284 R CB -0.054 30.259 30.300 0.023 0.000 0.874 284 R HN 0.307 nan 8.270 nan 0.000 0.451 285 E N 0.572 120.792 120.200 0.032 0.000 2.675 285 E HA 0.156 4.500 4.350 -0.009 0.000 0.236 285 E C -1.954 174.669 176.600 0.039 0.000 1.059 285 E CA -1.718 54.702 56.400 0.033 0.000 0.775 285 E CB 1.772 31.490 29.700 0.031 0.000 1.356 285 E HN -0.076 nan 8.360 nan 0.000 0.403 286 P HA -0.171 nan 4.420 nan 0.000 0.219 286 P C 1.144 178.473 177.300 0.048 0.000 1.146 286 P CA 0.648 63.775 63.100 0.045 0.000 0.808 286 P CB 0.430 32.155 31.700 0.041 0.000 0.779 287 L N -0.236 121.013 121.223 0.043 0.000 2.217 287 L HA 0.007 4.341 4.340 -0.009 0.000 0.211 287 L C 2.426 179.325 176.870 0.048 0.000 1.107 287 L CA 1.523 56.390 54.840 0.045 0.000 0.783 287 L CB -1.430 40.653 42.059 0.039 0.000 0.919 287 L HN -0.053 nan 8.230 nan 0.000 0.442 288 K N -0.566 119.861 120.400 0.045 0.000 2.057 288 K HA -0.149 4.165 4.320 -0.009 0.000 0.206 288 K C 2.079 178.711 176.600 0.053 0.000 1.050 288 K CA 0.972 57.286 56.287 0.045 0.000 0.935 288 K CB -0.175 32.349 32.500 0.040 0.000 0.715 288 K HN 0.205 nan 8.250 nan 0.000 0.439 289 L N 1.381 122.639 121.223 0.058 0.000 1.970 289 L HA -0.320 4.015 4.340 -0.009 0.000 0.212 289 L C 2.455 179.373 176.870 0.080 0.000 1.071 289 L CA 1.634 56.515 54.840 0.068 0.000 0.751 289 L CB -0.260 41.841 42.059 0.070 0.000 0.889 289 L HN 0.278 nan 8.230 nan 0.000 0.432 290 Q N -0.490 119.357 119.800 0.079 0.000 2.077 290 Q HA -0.270 4.064 4.340 -0.009 0.000 0.206 290 Q C 2.256 178.314 176.000 0.096 0.000 0.989 290 Q CA 2.204 58.061 55.803 0.090 0.000 0.853 290 Q CB -0.071 28.713 28.738 0.077 0.000 0.907 290 Q HN 0.509 nan 8.270 nan 0.000 0.418 291 R N -1.035 119.513 120.500 0.080 0.000 2.276 291 R HA 0.001 4.335 4.340 -0.009 0.000 0.203 291 R C 1.874 178.224 176.300 0.084 0.000 1.017 291 R CA 0.775 56.923 56.100 0.079 0.000 1.010 291 R CB 0.114 30.451 30.300 0.062 0.000 0.900 291 R HN 0.208 nan 8.270 nan 0.000 0.469 292 G N -0.385 108.463 108.800 0.080 0.000 3.042 292 G HA2 -0.018 3.937 3.960 -0.009 0.000 0.212 292 G HA3 -0.018 3.937 3.960 -0.009 0.000 0.212 292 G C 1.207 176.159 174.900 0.087 0.000 1.166 292 G CA -0.194 44.946 45.100 0.067 0.000 0.767 292 G HN 0.045 nan 8.290 nan 0.000 0.546 293 V N 0.743 120.735 119.914 0.130 0.000 2.343 293 V HA -0.174 3.941 4.120 -0.009 0.000 0.247 293 V C 2.698 178.942 176.094 0.250 0.000 1.051 293 V CA 2.253 64.658 62.300 0.176 0.000 1.036 293 V CB -0.146 31.817 31.823 0.234 0.000 0.654 293 V HN 0.401 nan 8.190 nan 0.000 0.451 294 E N 0.326 120.698 120.200 0.286 0.000 2.160 294 E HA -0.256 4.088 4.350 -0.009 0.000 0.195 294 E C 2.040 178.750 176.600 0.183 0.000 0.991 294 E CA 1.464 58.066 56.400 0.336 0.000 0.810 294 E CB -0.237 29.625 29.700 0.270 0.000 0.742 294 E HN 0.677 nan 8.360 nan 0.000 0.466 295 E N -0.129 120.116 120.200 0.075 0.000 2.153 295 E HA -0.143 4.201 4.350 -0.009 0.000 0.194 295 E C 1.808 178.324 176.600 -0.139 0.000 0.988 295 E CA 1.167 57.535 56.400 -0.054 0.000 0.811 295 E CB -0.266 29.394 29.700 -0.067 0.000 0.746 295 E HN 0.387 nan 8.360 nan 0.000 0.466 296 L N -0.744 120.449 121.223 -0.050 0.000 2.072 296 L HA -0.052 4.283 4.340 -0.009 0.000 0.205 296 L C 2.215 179.096 176.870 0.019 0.000 1.079 296 L CA 0.959 55.785 54.840 -0.023 0.000 0.752 296 L CB -0.500 41.622 42.059 0.106 0.000 0.906 296 L HN 0.141 nan 8.230 nan 0.000 0.436 297 F N 0.084 120.089 119.950 0.092 0.000 2.216 297 F HA -0.200 4.323 4.527 -0.008 0.000 0.300 297 F C 2.861 178.315 175.800 -0.576 0.000 1.085 297 F CA 1.183 59.051 58.000 -0.220 0.000 1.326 297 F CB -0.299 38.381 39.000 -0.534 0.000 1.027 297 F HN -0.012 nan 8.300 nan 0.000 0.497 298 R N 0.560 120.803 120.500 -0.428 0.000 2.096 298 R HA -0.184 4.151 4.340 -0.009 0.000 0.235 298 R C 2.293 178.331 176.300 -0.438 0.000 1.127 298 R CA 1.463 57.301 56.100 -0.436 0.000 0.968 298 R CB -0.127 29.992 30.300 -0.302 0.000 0.861 298 R HN 0.094 nan 8.270 nan 0.000 0.440 299 R N -0.344 119.797 120.500 -0.597 0.000 2.173 299 R HA 0.035 4.370 4.340 -0.009 0.000 0.208 299 R C -0.024 175.533 176.300 -1.238 0.000 1.035 299 R CA 1.058 56.562 56.100 -0.993 0.000 1.004 299 R CB 0.202 29.662 30.300 -1.399 0.000 0.917 299 R HN 0.177 nan 8.270 nan 0.000 0.462 300 F N 0.851 120.583 119.950 -0.364 0.000 2.627 300 F HA 0.551 5.072 4.527 -0.009 0.000 0.329 300 F C 0.186 176.034 175.800 0.080 0.000 1.378 300 F CA -0.862 56.890 58.000 -0.413 0.000 1.134 300 F CB 0.376 39.004 39.000 -0.620 0.000 1.229 300 F HN -0.012 nan 8.300 nan 0.000 0.537 301 A N 0.122 123.060 122.820 0.197 0.000 2.507 301 A HA 0.348 4.662 4.320 -0.009 0.000 0.235 301 A C 0.852 178.613 177.584 0.294 0.000 1.070 301 A CA 0.205 52.365 52.037 0.204 0.000 0.768 301 A CB 0.703 19.760 19.000 0.095 0.000 1.011 301 A HN 0.417 nan 8.150 nan 0.000 0.502 302 V N 1.795 121.800 119.914 0.151 0.000 3.408 302 V HA 0.070 4.185 4.120 -0.009 0.000 0.263 302 V C 0.125 176.190 176.094 -0.048 0.000 1.503 302 V CA 0.432 62.724 62.300 -0.014 0.000 1.046 302 V CB 0.753 32.654 31.823 0.130 0.000 0.851 302 V HN 0.591 nan 8.190 nan 0.000 0.435 303 V N 1.103 121.028 119.914 0.018 0.000 2.509 303 V HA 0.506 4.620 4.120 -0.009 0.000 0.284 303 V C -0.040 176.040 176.094 -0.023 0.000 1.047 303 V CA 0.077 62.366 62.300 -0.017 0.000 0.952 303 V CB 1.493 33.312 31.823 -0.007 0.000 0.988 303 V HN 0.349 nan 8.190 nan 0.000 0.469 304 S N 3.699 119.347 115.700 -0.086 0.000 2.652 304 S HA 0.474 4.938 4.470 -0.009 0.000 0.252 304 S C -0.740 173.711 174.600 -0.249 0.000 1.219 304 S CA -0.947 57.164 58.200 -0.148 0.000 1.151 304 S CB 0.733 63.895 63.200 -0.063 0.000 1.080 304 S HN 0.991 nan 8.310 nan 0.000 0.481 305 D N 1.669 121.942 120.400 -0.213 0.000 2.727 305 D HA 0.873 5.507 4.640 -0.009 0.000 0.264 305 D C -0.235 175.942 176.300 -0.205 0.000 1.101 305 D CA -0.900 52.933 54.000 -0.278 0.000 1.122 305 D CB 0.997 41.633 40.800 -0.273 0.000 1.390 305 D HN 0.464 nan 8.370 nan 0.000 0.606 306 A N -1.039 121.688 122.820 -0.154 0.000 2.437 306 A HA 0.889 5.204 4.320 -0.009 0.000 0.288 306 A C -0.646 176.896 177.584 -0.071 0.000 1.201 306 A CA -0.781 51.178 52.037 -0.129 0.000 0.795 306 A CB 1.524 20.469 19.000 -0.091 0.000 1.359 306 A HN 0.412 nan 8.150 nan 0.000 0.435 307 R N -1.400 119.076 120.500 -0.039 0.000 2.836 307 R HA 0.396 4.731 4.340 -0.009 0.000 0.269 307 R C -2.062 174.345 176.300 0.179 0.000 1.010 307 R CA -0.498 55.641 56.100 0.065 0.000 0.930 307 R CB 1.391 31.708 30.300 0.028 0.000 1.218 307 R HN 0.756 nan 8.270 nan 0.000 0.473 308 Y N 0.788 121.148 120.300 0.100 0.000 2.331 308 Y HA 0.297 4.841 4.550 -0.009 0.000 0.338 308 Y C -0.246 175.730 175.900 0.126 0.000 0.976 308 Y CA -0.687 57.481 58.100 0.114 0.000 1.137 308 Y CB 1.185 39.694 38.460 0.083 0.000 1.172 308 Y HN 0.243 nan 8.280 nan 0.000 0.478 309 V N 8.495 128.374 119.914 -0.058 0.000 2.434 309 V HA -0.085 4.029 4.120 -0.009 0.000 0.281 309 V C 1.028 177.056 176.094 -0.111 0.000 1.005 309 V CA 0.360 62.624 62.300 -0.060 0.000 1.089 309 V CB 0.182 31.977 31.823 -0.046 0.000 0.978 309 V HN 0.939 nan 8.190 nan 0.000 0.474 310 V N 4.218 124.099 119.914 -0.054 0.000 2.307 310 V HA -0.088 4.026 4.120 -0.009 0.000 0.245 310 V C 1.068 177.153 176.094 -0.015 0.000 1.045 310 V CA 1.665 63.991 62.300 0.043 0.000 1.024 310 V CB -0.051 31.751 31.823 -0.035 0.000 0.651 310 V HN 0.876 nan 8.190 nan 0.000 0.449 311 S N -1.477 114.158 115.700 -0.109 0.000 2.595 311 S HA 0.409 4.873 4.470 -0.009 0.000 0.281 311 S C -1.263 173.272 174.600 -0.108 0.000 1.117 311 S CA -0.823 57.325 58.200 -0.086 0.000 0.873 311 S CB 1.769 64.921 63.200 -0.081 0.000 1.108 311 S HN 0.329 nan 8.310 nan 0.000 0.477 312 D N 2.482 122.831 120.400 -0.084 0.000 2.525 312 D HA 0.333 4.968 4.640 -0.009 0.000 0.235 312 D C 0.192 176.448 176.300 -0.073 0.000 1.137 312 D CA 0.868 54.816 54.000 -0.086 0.000 0.868 312 D CB 0.008 40.764 40.800 -0.074 0.000 1.180 312 D HN 0.572 nan 8.370 nan 0.000 0.465 313 M N -0.826 118.739 119.600 -0.057 0.000 2.732 313 M HA 0.427 4.902 4.480 -0.009 0.000 0.272 313 M C -1.467 174.845 176.300 0.020 0.000 1.203 313 M CA -0.996 54.287 55.300 -0.029 0.000 0.841 313 M CB 2.465 35.024 32.600 -0.068 0.000 1.685 313 M HN 0.121 nan 8.290 nan 0.000 0.492 314 E N 1.125 121.359 120.200 0.056 0.000 2.179 314 E HA 0.689 5.034 4.350 -0.009 0.000 0.275 314 E C -2.287 174.438 176.600 0.208 0.000 0.945 314 E CA -0.612 55.841 56.400 0.088 0.000 0.792 314 E CB 1.807 31.537 29.700 0.050 0.000 1.125 314 E HN 0.566 nan 8.360 nan 0.000 0.397 315 F N 4.573 124.525 119.950 0.003 0.000 2.607 315 F HA 0.263 4.784 4.527 -0.010 0.000 0.322 315 F C -0.748 175.116 175.800 0.106 0.000 1.176 315 F CA -0.504 57.542 58.000 0.077 0.000 0.977 315 F CB 0.900 39.996 39.000 0.159 0.000 1.242 315 F HN 0.720 nan 8.300 nan 0.000 0.465 316 H N 4.035 122.808 119.070 -0.495 0.000 2.604 316 H HA -0.184 4.367 4.556 -0.009 0.000 0.321 316 H C 1.362 176.585 175.328 -0.176 0.000 1.132 316 H CA 1.161 56.973 56.048 -0.394 0.000 1.129 316 H CB -0.989 28.458 29.762 -0.525 0.000 1.526 316 H HN 1.257 nan 8.280 nan 0.000 0.415 317 G N 0.678 109.446 108.800 -0.054 0.000 2.187 317 G HA2 -0.327 3.628 3.960 -0.009 0.000 0.261 317 G HA3 -0.327 3.628 3.960 -0.009 0.000 0.261 317 G C 0.377 175.292 174.900 0.025 0.000 1.000 317 G CA 1.297 46.393 45.100 -0.008 0.000 0.718 317 G HN 1.049 nan 8.290 nan 0.000 0.519 318 T N -0.946 113.617 114.554 0.015 0.000 2.848 318 T HA 0.642 4.987 4.350 -0.009 0.000 0.285 318 T C 0.404 175.098 174.700 -0.010 0.000 0.995 318 T CA -0.912 61.181 62.100 -0.011 0.000 0.970 318 T CB 0.931 69.735 68.868 -0.107 0.000 0.976 318 T HN 0.173 nan 8.240 nan 0.000 0.441 319 M N 4.976 124.606 119.600 0.050 0.000 2.184 319 M HA 0.377 4.851 4.480 -0.009 0.000 0.351 319 M C -0.475 175.902 176.300 0.128 0.000 1.395 319 M CA -0.263 55.092 55.300 0.092 0.000 1.117 319 M CB -0.156 32.528 32.600 0.140 0.000 1.708 319 M HN 0.584 nan 8.290 nan 0.000 0.468 320 L N 2.624 123.869 121.223 0.037 0.000 2.342 320 L HA 0.582 4.916 4.340 -0.009 0.000 0.271 320 L C -0.053 176.775 176.870 -0.071 0.000 1.008 320 L CA -1.003 53.851 54.840 0.024 0.000 0.818 320 L CB 1.997 44.012 42.059 -0.074 0.000 1.296 320 L HN 0.496 nan 8.230 nan 0.000 0.427 321 K N 1.274 121.599 120.400 -0.125 0.000 2.207 321 K HA 0.242 4.556 4.320 -0.009 0.000 0.255 321 K C -0.559 175.964 176.600 -0.127 0.000 0.941 321 K CA -0.602 55.533 56.287 -0.254 0.000 0.825 321 K CB 1.486 33.667 32.500 -0.533 0.000 1.119 321 K HN 0.463 nan 8.250 nan 0.000 0.430 322 E N 1.285 121.410 120.200 -0.125 0.000 2.708 322 E HA -0.054 4.291 4.350 -0.009 0.000 0.260 322 E C 0.484 176.972 176.600 -0.188 0.000 0.937 322 E CA 1.547 57.875 56.400 -0.121 0.000 0.953 322 E CB 0.034 29.706 29.700 -0.046 0.000 0.915 322 E HN 0.754 nan 8.360 nan 0.000 0.487 323 G N 3.798 112.297 108.800 -0.502 0.000 2.225 323 G HA2 -0.265 3.689 3.960 -0.009 0.000 0.254 323 G HA3 -0.265 3.689 3.960 -0.009 0.000 0.254 323 G C -0.136 174.517 174.900 -0.412 0.000 0.988 323 G CA 0.204 44.852 45.100 -0.752 0.000 0.625 323 G HN 0.685 nan 8.290 nan 0.000 0.527 324 D N 0.653 120.975 120.400 -0.130 0.000 2.472 324 D HA 0.418 5.053 4.640 -0.009 0.000 0.237 324 D C 1.042 177.413 176.300 0.119 0.000 1.141 324 D CA 0.367 54.470 54.000 0.172 0.000 0.875 324 D CB 0.587 41.656 40.800 0.448 0.000 1.192 324 D HN 0.375 nan 8.370 nan 0.000 0.450 325 L N 2.473 123.850 121.223 0.256 0.000 2.309 325 L HA 0.495 4.830 4.340 -0.009 0.000 0.282 325 L C 0.041 177.091 176.870 0.300 0.000 1.036 325 L CA -0.734 54.234 54.840 0.214 0.000 0.806 325 L CB 1.119 43.283 42.059 0.174 0.000 1.220 325 L HN 0.160 nan 8.230 nan 0.000 0.429 326 I N 3.861 124.529 120.570 0.164 0.000 2.410 326 I HA 0.238 4.402 4.170 -0.009 0.000 0.286 326 I C -0.499 175.607 176.117 -0.019 0.000 1.009 326 I CA -0.701 60.677 61.300 0.130 0.000 1.111 326 I CB 2.093 40.072 38.000 -0.034 0.000 1.262 326 I HN 0.355 nan 8.210 nan 0.000 0.443 327 L N 7.809 129.039 121.223 0.012 0.000 2.380 327 L HA 0.327 4.661 4.340 -0.009 0.000 0.273 327 L C -0.561 176.201 176.870 -0.181 0.000 1.138 327 L CA 0.331 55.098 54.840 -0.121 0.000 0.832 327 L CB 0.561 42.562 42.059 -0.098 0.000 1.124 327 L HN 0.462 nan 8.230 nan 0.000 0.454 328 L N 7.541 128.600 121.223 -0.273 0.000 2.371 328 L HA 0.389 4.724 4.340 -0.009 0.000 0.262 328 L C -2.141 174.532 176.870 -0.329 0.000 1.054 328 L CA -1.724 52.917 54.840 -0.333 0.000 0.924 328 L CB 0.832 42.594 42.059 -0.495 0.000 1.295 328 L HN 0.496 nan 8.230 nan 0.000 0.441 329 P HA 0.084 nan 4.420 nan 0.000 0.271 329 P C 0.941 177.944 177.300 -0.496 0.000 1.380 329 P CA -0.034 62.583 63.100 -0.805 0.000 0.992 329 P CB 1.041 31.668 31.700 -1.789 0.000 1.230 330 T N 2.752 117.160 114.554 -0.243 0.000 2.778 330 T HA -0.227 4.118 4.350 -0.009 0.000 0.269 330 T C 1.816 176.471 174.700 -0.075 0.000 1.050 330 T CA 2.072 64.138 62.100 -0.056 0.000 1.137 330 T CB -0.352 68.529 68.868 0.021 0.000 0.860 330 T HN 0.377 nan 8.240 nan 0.000 0.468 331 A N 0.873 123.607 122.820 -0.144 0.000 2.024 331 A HA -0.008 4.306 4.320 -0.009 0.000 0.220 331 A C 2.079 179.599 177.584 -0.107 0.000 1.164 331 A CA 1.140 53.129 52.037 -0.081 0.000 0.643 331 A CB -0.640 18.325 19.000 -0.058 0.000 0.806 331 A HN 0.561 nan 8.150 nan 0.000 0.451 332 L N -1.772 119.334 121.223 -0.196 0.000 2.599 332 L HA -0.031 4.303 4.340 -0.009 0.000 0.230 332 L C 2.140 178.991 176.870 -0.032 0.000 1.141 332 L CA 0.739 55.503 54.840 -0.125 0.000 0.877 332 L CB -0.560 41.383 42.059 -0.194 0.000 1.009 332 L HN 0.670 nan 8.230 nan 0.000 0.447 333 H N 0.000 118.989 119.070 -0.136 0.000 2.273 333 H HA -0.035 4.515 4.556 -0.009 0.000 0.317 333 H C 2.183 177.469 175.328 -0.070 0.000 1.062 333 H CA 0.848 56.804 56.048 -0.153 0.000 1.419 333 H CB 0.153 29.837 29.762 -0.130 0.000 1.442 333 H HN 0.204 nan 8.280 nan 0.000 0.542 334 G N 0.836 109.641 108.800 0.007 0.000 2.507 334 G HA2 -0.227 3.728 3.960 -0.009 0.000 0.221 334 G HA3 -0.227 3.728 3.960 -0.009 0.000 0.221 334 G C 1.342 176.251 174.900 0.015 0.000 1.119 334 G CA 1.124 46.201 45.100 -0.039 0.000 0.751 334 G HN 0.367 nan 8.290 nan 0.000 0.574 335 L N 0.235 121.465 121.223 0.011 0.000 2.640 335 L HA 0.220 4.554 4.340 -0.009 0.000 0.230 335 L C 0.385 177.297 176.870 0.069 0.000 1.123 335 L CA -0.485 54.358 54.840 0.004 0.000 0.900 335 L CB 0.131 42.166 42.059 -0.039 0.000 1.146 335 L HN -0.011 nan 8.230 nan 0.000 0.484 336 D N 1.941 122.413 120.400 0.121 0.000 2.412 336 D HA -0.094 4.541 4.640 -0.009 0.000 0.257 336 D C 1.007 177.394 176.300 0.145 0.000 1.217 336 D CA 0.145 54.223 54.000 0.129 0.000 0.897 336 D CB 0.913 41.816 40.800 0.173 0.000 1.132 336 D HN 0.267 nan 8.370 nan 0.000 0.493 337 D N 3.541 123.994 120.400 0.088 0.000 2.350 337 D HA -0.169 4.465 4.640 -0.009 0.000 0.216 337 D C 1.168 177.492 176.300 0.040 0.000 0.968 337 D CA 0.430 54.469 54.000 0.066 0.000 0.894 337 D CB 0.029 40.853 40.800 0.039 0.000 0.909 337 D HN 0.424 nan 8.370 nan 0.000 0.520 338 R N -0.738 119.788 120.500 0.043 0.000 2.240 338 R HA 0.054 4.389 4.340 -0.009 0.000 0.203 338 R C 1.304 177.519 176.300 -0.142 0.000 1.011 338 R CA 0.576 56.655 56.100 -0.035 0.000 1.007 338 R CB -0.051 30.230 30.300 -0.033 0.000 0.911 338 R HN 0.316 nan 8.270 nan 0.000 0.468 339 H N -1.800 117.203 119.070 -0.112 0.000 2.604 339 H HA 0.208 4.759 4.556 -0.009 0.000 0.273 339 H C -0.379 174.573 175.328 -0.627 0.000 0.971 339 H CA 0.611 56.463 56.048 -0.326 0.000 1.249 339 H CB 0.585 30.183 29.762 -0.273 0.000 1.449 339 H HN 0.097 nan 8.280 nan 0.000 0.512 340 H N -0.333 118.806 119.070 0.115 0.000 2.947 340 H HA 0.181 4.732 4.556 -0.009 0.000 0.354 340 H C -1.068 174.273 175.328 0.022 0.000 1.085 340 H CA -1.016 55.064 56.048 0.052 0.000 1.253 340 H CB 1.306 31.087 29.762 0.032 0.000 1.757 340 H HN 0.064 nan 8.280 nan 0.000 0.523 341 D N 2.917 123.387 120.400 0.117 0.000 2.414 341 D HA 0.009 4.643 4.640 -0.009 0.000 0.242 341 D C -0.030 176.304 176.300 0.056 0.000 1.129 341 D CA 0.374 54.412 54.000 0.064 0.000 0.885 341 D CB 0.488 41.312 40.800 0.041 0.000 1.198 341 D HN 0.586 nan 8.370 nan 0.000 0.437 342 D N 1.446 121.867 120.400 0.035 0.000 2.802 342 D HA -0.140 4.494 4.640 -0.009 0.000 0.229 342 D C -1.480 174.820 176.300 0.000 0.000 1.203 342 D CA 0.024 54.035 54.000 0.019 0.000 0.712 342 D CB -0.485 40.324 40.800 0.015 0.000 0.973 342 D HN 0.385 nan 8.370 nan 0.000 0.407 343 P HA -0.141 nan 4.420 nan 0.000 0.221 343 P C 1.588 178.818 177.300 -0.117 0.000 1.150 343 P CA 0.576 63.661 63.100 -0.025 0.000 0.800 343 P CB 0.185 31.899 31.700 0.025 0.000 0.787 344 M N -0.368 119.185 119.600 -0.078 0.000 2.562 344 M HA 0.026 4.501 4.480 -0.009 0.000 0.257 344 M C 1.161 177.404 176.300 -0.095 0.000 1.099 344 M CA 0.758 56.002 55.300 -0.093 0.000 1.099 344 M CB -1.572 31.030 32.600 0.003 0.000 1.427 344 M HN -0.019 nan 8.290 nan 0.000 0.489 345 T N 0.557 115.062 114.554 -0.082 0.000 2.771 345 T HA 0.419 4.764 4.350 -0.009 0.000 0.291 345 T C -0.105 174.473 174.700 -0.204 0.000 0.954 345 T CA -0.604 61.457 62.100 -0.065 0.000 1.045 345 T CB 1.358 70.232 68.868 0.011 0.000 0.917 345 T HN -0.073 nan 8.240 nan 0.000 0.484 346 V N 5.354 125.091 119.914 -0.294 0.000 2.446 346 V HA 0.231 4.346 4.120 -0.009 0.000 0.276 346 V C 0.457 176.480 176.094 -0.118 0.000 1.030 346 V CA -0.097 62.010 62.300 -0.322 0.000 1.033 346 V CB 0.557 32.137 31.823 -0.405 0.000 0.993 346 V HN 0.953 nan 8.190 nan 0.000 0.477 347 D N 4.791 125.124 120.400 -0.112 0.000 2.446 347 D HA 0.284 4.919 4.640 -0.009 0.000 0.251 347 D C 0.842 177.119 176.300 -0.039 0.000 1.137 347 D CA -0.422 53.549 54.000 -0.049 0.000 0.890 347 D CB 1.267 42.045 40.800 -0.037 0.000 1.071 347 D HN 0.374 nan 8.370 nan 0.000 0.528 348 L N 2.117 123.331 121.223 -0.015 0.000 2.261 348 L HA -0.143 4.192 4.340 -0.009 0.000 0.216 348 L C 1.927 178.803 176.870 0.011 0.000 1.114 348 L CA 1.280 56.120 54.840 0.001 0.000 0.777 348 L CB -0.289 41.782 42.059 0.020 0.000 0.910 348 L HN 0.364 nan 8.230 nan 0.000 0.440 349 S N -1.177 114.529 115.700 0.010 0.000 2.572 349 S HA 0.036 4.501 4.470 -0.009 0.000 0.228 349 S C 0.889 175.499 174.600 0.018 0.000 0.963 349 S CA -0.579 57.631 58.200 0.018 0.000 0.939 349 S CB -0.118 63.094 63.200 0.020 0.000 0.804 349 S HN 0.270 nan 8.310 nan 0.000 0.480 350 R N 1.690 122.194 120.500 0.008 0.000 2.480 350 R HA 0.126 4.460 4.340 -0.009 0.000 0.303 350 R C 1.417 177.737 176.300 0.034 0.000 0.985 350 R CA -0.262 55.847 56.100 0.014 0.000 1.051 350 R CB 0.357 30.645 30.300 -0.019 0.000 0.935 350 R HN 0.131 nan 8.270 nan 0.000 0.410 351 R N 2.050 122.578 120.500 0.048 0.000 2.093 351 R HA -0.046 4.288 4.340 -0.009 0.000 0.224 351 R C -0.330 176.013 176.300 0.071 0.000 1.101 351 R CA 1.108 57.239 56.100 0.052 0.000 0.979 351 R CB -0.223 30.105 30.300 0.046 0.000 0.877 351 R HN 0.627 nan 8.270 nan 0.000 0.441 352 D N 0.630 121.091 120.400 0.102 0.000 2.396 352 D HA 0.060 4.694 4.640 -0.009 0.000 0.225 352 D C 0.662 177.090 176.300 0.215 0.000 1.121 352 D CA -0.185 53.908 54.000 0.157 0.000 0.853 352 D CB 1.278 42.176 40.800 0.163 0.000 1.043 352 D HN -0.012 nan 8.370 nan 0.000 0.500 353 V N 1.046 121.049 119.914 0.148 0.000 3.319 353 V HA 0.258 4.372 4.120 -0.009 0.000 0.317 353 V C 0.690 176.856 176.094 0.120 0.000 1.411 353 V CA -0.448 61.883 62.300 0.051 0.000 1.112 353 V CB -0.772 31.085 31.823 0.056 0.000 1.031 353 V HN 0.398 nan 8.190 nan 0.000 0.448 354 T N 4.061 118.739 114.554 0.206 0.000 2.658 354 T HA 0.120 4.464 4.350 -0.009 0.000 0.252 354 T C -0.010 174.626 174.700 -0.106 0.000 1.021 354 T CA 1.854 63.984 62.100 0.051 0.000 1.169 354 T CB -0.645 68.326 68.868 0.172 0.000 1.015 354 T HN 1.110 nan 8.240 nan 0.000 0.489 355 H N -0.913 117.937 119.070 -0.367 0.000 2.960 355 H HA 0.648 5.199 4.556 -0.009 0.000 0.323 355 H C -0.473 174.555 175.328 -0.500 0.000 1.326 355 H CA -1.179 54.475 56.048 -0.657 0.000 1.124 355 H CB 0.787 30.354 29.762 -0.324 0.000 1.853 355 H HN 0.196 nan 8.280 nan 0.000 0.536 356 S N -0.016 115.622 115.700 -0.104 0.000 2.711 356 S HA 0.080 4.544 4.470 -0.009 0.000 0.247 356 S C 0.637 175.288 174.600 0.084 0.000 1.079 356 S CA 0.133 58.398 58.200 0.108 0.000 1.050 356 S CB -0.015 63.379 63.200 0.324 0.000 0.885 356 S HN 0.717 nan 8.310 nan 0.000 0.498 357 T N 1.438 116.071 114.554 0.133 0.000 2.803 357 T HA -0.054 4.291 4.350 -0.009 0.000 0.269 357 T C 0.605 175.111 174.700 -0.323 0.000 1.052 357 T CA 1.451 63.425 62.100 -0.209 0.000 1.136 357 T CB -0.285 68.255 68.868 -0.547 0.000 0.864 357 T HN 0.461 nan 8.240 nan 0.000 0.467 358 F N 1.046 121.009 119.950 0.021 0.000 2.641 358 F HA 0.648 5.170 4.527 -0.009 0.000 0.302 358 F C 1.279 176.946 175.800 -0.222 0.000 1.098 358 F CA -0.634 57.297 58.000 -0.116 0.000 1.318 358 F CB -1.090 37.823 39.000 -0.145 0.000 1.035 358 F HN 0.202 nan 8.300 nan 0.000 0.551 359 A N -0.081 122.620 122.820 -0.198 0.000 6.226 359 A HA -0.115 4.200 4.320 -0.009 0.000 0.254 359 A C 0.049 177.425 177.584 -0.345 0.000 2.160 359 A CA 0.498 52.118 52.037 -0.695 0.000 0.705 359 A CB -0.761 17.477 19.000 -1.271 0.000 1.036 359 A HN 0.281 nan 8.150 nan 0.000 0.366 360 Q N -0.828 118.752 119.800 -0.367 0.000 2.687 360 Q HA 0.615 4.950 4.340 -0.009 0.000 0.305 360 Q C 0.426 176.428 176.000 0.003 0.000 1.006 360 Q CA 0.457 56.227 55.803 -0.056 0.000 0.763 360 Q CB 0.994 29.786 28.738 0.089 0.000 1.506 360 Q HN 2.999 nan 8.270 nan 0.000 0.459 361 G N 1.018 109.842 108.800 0.040 0.000 2.584 361 G HA2 -0.194 3.760 3.960 -0.009 0.000 0.229 361 G HA3 -0.194 3.760 3.960 -0.009 0.000 0.229 361 G C -1.922 172.973 174.900 -0.007 0.000 1.320 361 G CA -0.084 45.047 45.100 0.051 0.000 0.891 361 G HN 0.485 nan 8.290 nan 0.000 0.573 362 P HA -0.018 nan 4.420 nan 0.000 0.221 362 P C 1.002 178.108 177.300 -0.324 0.000 1.150 362 P CA 1.651 64.617 63.100 -0.224 0.000 0.800 362 P CB -0.154 31.269 31.700 -0.462 0.000 0.787 363 H N -1.216 117.792 119.070 -0.103 0.000 2.539 363 H HA 0.150 4.700 4.556 -0.009 0.000 0.267 363 H C 0.873 176.189 175.328 -0.021 0.000 0.982 363 H CA -0.228 55.812 56.048 -0.013 0.000 1.146 363 H CB -0.019 29.742 29.762 -0.003 0.000 1.382 363 H HN 0.123 nan 8.280 nan 0.000 0.577 364 R N 1.352 121.859 120.500 0.013 0.000 2.481 364 R HA -0.087 4.247 4.340 -0.009 0.000 0.291 364 R C 0.012 176.285 176.300 -0.045 0.000 0.934 364 R CA -0.023 56.051 56.100 -0.042 0.000 1.116 364 R CB 0.006 30.273 30.300 -0.056 0.000 0.895 364 R HN 0.270 nan 8.270 nan 0.000 0.410 365 C N 5.134 124.406 119.300 -0.047 0.000 2.067 365 C HA -0.104 4.351 4.460 -0.009 0.000 0.408 365 C C 1.828 176.700 174.990 -0.197 0.000 1.539 365 C CA 0.386 59.354 59.018 -0.083 0.000 1.434 365 C CB -1.519 26.185 27.740 -0.060 0.000 2.621 365 C HN 0.872 nan 8.230 nan 0.000 0.610 366 A N 4.599 127.365 122.820 -0.090 0.000 2.172 366 A HA 0.151 4.466 4.320 -0.009 0.000 0.216 366 A C 2.052 179.552 177.584 -0.141 0.000 1.154 366 A CA 1.485 53.467 52.037 -0.092 0.000 0.701 366 A CB -0.404 18.597 19.000 0.001 0.000 0.789 366 A HN 1.328 nan 8.150 nan 0.000 0.465 367 G N -0.176 108.523 108.800 -0.168 0.000 3.088 367 G HA2 0.174 4.129 3.960 -0.009 0.000 0.217 367 G HA3 0.174 4.129 3.960 -0.009 0.000 0.217 367 G C 1.325 176.025 174.900 -0.333 0.000 1.159 367 G CA 0.507 45.513 45.100 -0.157 0.000 0.760 367 G HN 0.646 nan 8.290 nan 0.000 0.550 368 M N -0.523 118.672 119.600 -0.674 0.000 2.149 368 M HA -0.133 4.341 4.480 -0.009 0.000 0.261 368 M C 2.114 177.943 176.300 -0.785 0.000 1.064 368 M CA 1.460 56.039 55.300 -1.202 0.000 1.102 368 M CB -0.872 30.635 32.600 -1.821 0.000 1.369 368 M HN 0.093 nan 8.290 nan 0.000 0.408 369 H N 0.778 119.657 119.070 -0.317 0.000 2.389 369 H HA -0.052 4.498 4.556 -0.009 0.000 0.299 369 H C 2.276 177.555 175.328 -0.082 0.000 1.081 369 H CA 1.828 57.777 56.048 -0.166 0.000 1.345 369 H CB -0.687 29.012 29.762 -0.105 0.000 1.393 369 H HN 0.420 nan 8.280 nan 0.000 0.520 370 L N 1.182 122.416 121.223 0.018 0.000 2.056 370 L HA -0.008 4.327 4.340 -0.009 0.000 0.207 370 L C 2.536 179.448 176.870 0.069 0.000 1.078 370 L CA 1.695 56.572 54.840 0.062 0.000 0.749 370 L CB -0.897 41.210 42.059 0.080 0.000 0.901 370 L HN 0.172 nan 8.230 nan 0.000 0.433 371 A N -0.268 122.554 122.820 0.002 0.000 1.877 371 A HA -0.236 4.078 4.320 -0.009 0.000 0.216 371 A C 2.424 180.161 177.584 0.256 0.000 1.186 371 A CA 1.925 54.027 52.037 0.109 0.000 0.620 371 A CB -0.546 18.487 19.000 0.055 0.000 0.822 371 A HN 0.497 nan 8.150 nan 0.000 0.443 372 R N -0.785 119.788 120.500 0.122 0.000 2.081 372 R HA -0.022 4.312 4.340 -0.009 0.000 0.235 372 R C 2.224 178.691 176.300 0.278 0.000 1.131 372 R CA 1.349 57.624 56.100 0.291 0.000 0.960 372 R CB -0.485 29.904 30.300 0.148 0.000 0.856 372 R HN 0.519 nan 8.270 nan 0.000 0.436 373 L N 1.274 122.618 121.223 0.202 0.000 2.017 373 L HA -0.193 4.142 4.340 -0.009 0.000 0.208 373 L C 1.872 178.902 176.870 0.266 0.000 1.073 373 L CA 1.812 56.773 54.840 0.201 0.000 0.745 373 L CB -0.343 41.810 42.059 0.156 0.000 0.894 373 L HN 0.321 nan 8.230 nan 0.000 0.432 374 E N -0.738 119.636 120.200 0.290 0.000 2.085 374 E HA -0.233 4.111 4.350 -0.009 0.000 0.194 374 E C 2.123 179.044 176.600 0.535 0.000 0.994 374 E CA 1.561 58.223 56.400 0.437 0.000 0.801 374 E CB -0.076 29.805 29.700 0.302 0.000 0.743 374 E HN 0.378 nan 8.360 nan 0.000 0.453 375 V N 0.935 121.104 119.914 0.424 0.000 2.427 375 V HA -0.230 3.884 4.120 -0.009 0.000 0.248 375 V C 2.672 178.929 176.094 0.273 0.000 1.051 375 V CA 2.073 64.593 62.300 0.367 0.000 1.048 375 V CB -0.653 31.351 31.823 0.301 0.000 0.666 375 V HN 0.447 nan 8.190 nan 0.000 0.456 376 T N -0.897 113.813 114.554 0.259 0.000 2.821 376 T HA -0.132 4.213 4.350 -0.009 0.000 0.267 376 T C 1.850 176.654 174.700 0.173 0.000 1.046 376 T CA 1.886 64.104 62.100 0.195 0.000 1.139 376 T CB -0.141 68.834 68.868 0.178 0.000 0.871 376 T HN 0.214 nan 8.240 nan 0.000 0.454 377 V N 2.269 122.308 119.914 0.209 0.000 2.358 377 V HA -0.102 4.013 4.120 -0.009 0.000 0.246 377 V C 2.750 178.918 176.094 0.124 0.000 1.047 377 V CA 1.987 64.397 62.300 0.182 0.000 1.035 377 V CB -0.724 31.248 31.823 0.248 0.000 0.658 377 V HN 0.561 nan 8.190 nan 0.000 0.452 378 M N -0.123 119.553 119.600 0.126 0.000 2.065 378 M HA -0.193 4.282 4.480 -0.009 0.000 0.259 378 M C 2.182 178.497 176.300 0.024 0.000 1.069 378 M CA 2.201 57.492 55.300 -0.014 0.000 1.110 378 M CB -0.657 31.981 32.600 0.064 0.000 1.328 378 M HN 0.289 nan 8.290 nan 0.000 0.405 379 L N 0.026 121.287 121.223 0.064 0.000 2.046 379 L HA -0.250 4.085 4.340 -0.009 0.000 0.208 379 L C 2.609 179.533 176.870 0.090 0.000 1.077 379 L CA 1.388 56.263 54.840 0.059 0.000 0.747 379 L CB -0.679 41.419 42.059 0.063 0.000 0.896 379 L HN 0.421 nan 8.230 nan 0.000 0.432 380 Q N -0.441 119.410 119.800 0.084 0.000 2.050 380 Q HA -0.205 4.129 4.340 -0.009 0.000 0.202 380 Q C 2.162 178.193 176.000 0.052 0.000 0.980 380 Q CA 1.418 57.264 55.803 0.071 0.000 0.840 380 Q CB 0.016 28.797 28.738 0.072 0.000 0.898 380 Q HN 0.429 nan 8.270 nan 0.000 0.424 381 E N -0.331 119.894 120.200 0.041 0.000 2.158 381 E HA -0.138 4.207 4.350 -0.009 0.000 0.191 381 E C 1.508 178.084 176.600 -0.041 0.000 0.982 381 E CA 0.373 56.771 56.400 -0.004 0.000 0.823 381 E CB -0.291 29.405 29.700 -0.007 0.000 0.766 381 E HN 0.483 nan 8.360 nan 0.000 0.468 382 W N 1.895 123.071 121.300 -0.207 0.000 2.353 382 W HA -0.147 4.506 4.660 -0.012 0.000 0.319 382 W C 1.847 178.238 176.519 -0.213 0.000 1.207 382 W CA 1.156 58.327 57.345 -0.291 0.000 1.291 382 W CB -0.493 28.728 29.460 -0.399 0.000 1.159 382 W HN 0.020 nan 8.180 nan 0.000 0.478 383 L N 0.871 122.201 121.223 0.179 0.000 2.131 383 L HA -0.195 4.139 4.340 -0.009 0.000 0.210 383 L C 2.775 179.654 176.870 0.015 0.000 1.092 383 L CA 1.262 56.184 54.840 0.136 0.000 0.759 383 L CB -1.305 40.843 42.059 0.148 0.000 0.903 383 L HN -0.058 nan 8.230 nan 0.000 0.435 384 A N 0.331 123.142 122.820 -0.016 0.000 1.940 384 A HA -0.203 4.112 4.320 -0.009 0.000 0.219 384 A C 2.360 179.888 177.584 -0.094 0.000 1.176 384 A CA 1.718 53.731 52.037 -0.040 0.000 0.631 384 A CB -0.315 18.665 19.000 -0.033 0.000 0.814 384 A HN 0.392 nan 8.150 nan 0.000 0.446 385 R N -1.814 118.573 120.500 -0.188 0.000 2.279 385 R HA 0.408 4.743 4.340 -0.009 0.000 0.195 385 R C -0.271 175.822 176.300 -0.344 0.000 0.905 385 R CA 0.405 56.356 56.100 -0.247 0.000 1.044 385 R CB 0.467 30.583 30.300 -0.306 0.000 1.056 385 R HN 0.420 nan 8.270 nan 0.000 0.535 386 I N 2.126 122.407 120.570 -0.481 0.000 2.925 386 I HA 0.188 4.352 4.170 -0.009 0.000 0.296 386 I C -1.947 174.066 176.117 -0.173 0.000 1.413 386 I CA -1.586 59.345 61.300 -0.614 0.000 0.932 386 I CB 1.955 39.094 38.000 -1.433 0.000 1.873 386 I HN -0.147 nan 8.210 nan 0.000 0.619 387 P HA -0.088 nan 4.420 nan 0.000 0.218 387 P C 0.225 177.629 177.300 0.173 0.000 1.149 387 P CA 1.376 64.532 63.100 0.093 0.000 0.817 387 P CB 0.526 32.254 31.700 0.048 0.000 0.785 388 E N -0.663 119.645 120.200 0.181 0.000 2.277 388 E HA 0.605 4.949 4.350 -0.009 0.000 0.266 388 E C -0.686 176.127 176.600 0.357 0.000 0.901 388 E CA -0.812 55.682 56.400 0.157 0.000 0.782 388 E CB 1.911 31.670 29.700 0.099 0.000 1.228 388 E HN 0.024 nan 8.360 nan 0.000 0.424 389 F N -1.055 118.970 119.950 0.124 0.000 2.793 389 F HA 0.529 5.048 4.527 -0.012 0.000 0.316 389 F C -1.617 174.256 175.800 0.122 0.000 1.147 389 F CA -1.226 56.896 58.000 0.203 0.000 0.930 389 F CB 0.968 40.100 39.000 0.221 0.000 1.277 389 F HN 0.457 nan 8.300 nan 0.000 0.443 390 R N 2.516 123.204 120.500 0.313 0.000 2.817 390 R HA 0.719 5.053 4.340 -0.009 0.000 0.268 390 R C -2.138 174.279 176.300 0.196 0.000 1.027 390 R CA -1.166 55.006 56.100 0.120 0.000 0.928 390 R CB 2.130 32.459 30.300 0.049 0.000 1.228 390 R HN 0.972 nan 8.270 nan 0.000 0.469 391 L N 2.184 123.461 121.223 0.090 0.000 2.326 391 L HA 0.307 4.642 4.340 -0.009 0.000 0.278 391 L C 0.067 176.970 176.870 0.055 0.000 1.092 391 L CA -0.419 54.467 54.840 0.077 0.000 0.810 391 L CB 1.267 43.342 42.059 0.027 0.000 1.153 391 L HN 0.777 nan 8.230 nan 0.000 0.439 392 K N 3.369 123.803 120.400 0.057 0.000 2.550 392 K HA -0.136 4.178 4.320 -0.009 0.000 0.280 392 K C -0.310 176.294 176.600 0.007 0.000 0.987 392 K CA 0.020 56.322 56.287 0.026 0.000 1.048 392 K CB 0.261 32.769 32.500 0.014 0.000 0.879 392 K HN 0.558 nan 8.250 nan 0.000 0.491 393 D N 3.145 123.543 120.400 -0.003 0.000 2.662 393 D HA -0.108 4.527 4.640 -0.009 0.000 0.233 393 D C 0.060 176.353 176.300 -0.011 0.000 1.129 393 D CA 1.303 55.297 54.000 -0.010 0.000 0.851 393 D CB 0.279 41.069 40.800 -0.016 0.000 1.152 393 D HN 0.575 nan 8.370 nan 0.000 0.507 394 R N 0.569 121.064 120.500 -0.009 0.000 4.000 394 R HA -0.243 4.091 4.340 -0.009 0.000 0.362 394 R C 0.024 176.322 176.300 -0.004 0.000 1.183 394 R CA 0.549 56.646 56.100 -0.006 0.000 1.011 394 R CB -2.114 28.181 30.300 -0.009 0.000 1.501 394 R HN 0.429 nan 8.270 nan 0.000 0.553 395 A N 0.744 123.562 122.820 -0.004 0.000 2.483 395 A HA 0.411 4.725 4.320 -0.009 0.000 0.238 395 A C 0.491 178.073 177.584 -0.004 0.000 1.070 395 A CA 0.140 52.173 52.037 -0.006 0.000 0.770 395 A CB 0.703 19.701 19.000 -0.003 0.000 1.008 395 A HN 0.074 nan 8.150 nan 0.000 0.497 396 V N 5.281 125.185 119.914 -0.016 0.000 2.357 396 V HA 0.282 4.396 4.120 -0.009 0.000 0.281 396 V C -2.304 173.742 176.094 -0.079 0.000 1.015 396 V CA -1.251 61.039 62.300 -0.016 0.000 0.827 396 V CB 1.240 33.060 31.823 -0.005 0.000 1.018 396 V HN 0.807 nan 8.190 nan 0.000 0.432 397 P HA 0.278 nan 4.420 nan 0.000 0.269 397 P C -0.528 176.453 177.300 -0.531 0.000 1.215 397 P CA -0.097 62.795 63.100 -0.347 0.000 0.780 397 P CB 0.702 32.128 31.700 -0.456 0.000 0.898 398 I N 0.836 121.079 120.570 -0.546 0.000 2.441 398 I HA 0.495 4.660 4.170 -0.009 0.000 0.295 398 I C -1.480 174.251 176.117 -0.643 0.000 0.994 398 I CA -0.656 60.356 61.300 -0.481 0.000 1.144 398 I CB 1.102 38.962 38.000 -0.233 0.000 1.314 398 I HN 0.204 nan 8.210 nan 0.000 0.445 399 Y N 5.309 125.452 120.300 -0.263 0.000 2.429 399 Y HA 0.632 5.176 4.550 -0.010 0.000 0.342 399 Y C -0.163 175.481 175.900 -0.426 0.000 1.004 399 Y CA -0.559 57.430 58.100 -0.185 0.000 1.075 399 Y CB 1.610 40.096 38.460 0.043 0.000 1.214 399 Y HN 0.496 nan 8.280 nan 0.000 0.455 400 H N 0.711 119.953 119.070 0.286 0.000 2.717 400 H HA 0.513 5.064 4.556 -0.008 0.000 0.366 400 H C -0.930 174.528 175.328 0.217 0.000 1.132 400 H CA -0.860 55.308 56.048 0.201 0.000 1.180 400 H CB 2.265 32.105 29.762 0.129 0.000 1.678 400 H HN 0.679 nan 8.280 nan 0.000 0.537 401 S N 1.148 117.038 115.700 0.317 0.000 2.600 401 S HA 0.923 5.387 4.470 -0.009 0.000 0.300 401 S C 0.356 175.075 174.600 0.198 0.000 1.087 401 S CA -0.052 58.324 58.200 0.292 0.000 0.965 401 S CB 2.939 66.315 63.200 0.293 0.000 1.089 401 S HN 0.986 nan 8.310 nan 0.000 0.496 402 G N 0.479 109.331 108.800 0.086 0.000 2.512 402 G HA2 0.242 4.197 3.960 -0.009 0.000 0.181 402 G HA3 0.242 4.197 3.960 -0.009 0.000 0.181 402 G C -0.099 174.658 174.900 -0.239 0.000 1.173 402 G CA -0.159 44.815 45.100 -0.211 0.000 0.988 402 G HN 0.583 nan 8.290 nan 0.000 0.485 403 I N 0.432 120.829 120.570 -0.288 0.000 2.500 403 I HA 0.159 4.323 4.170 -0.009 0.000 0.252 403 I C 0.888 176.858 176.117 -0.244 0.000 1.142 403 I CA 1.138 62.174 61.300 -0.439 0.000 1.451 403 I CB -0.613 36.811 38.000 -0.960 0.000 1.093 403 I HN 0.041 nan 8.210 nan 0.000 0.430 404 V N 1.310 121.161 119.914 -0.105 0.000 2.540 404 V HA 0.637 4.752 4.120 -0.009 0.000 0.302 404 V C 0.263 176.308 176.094 -0.081 0.000 1.035 404 V CA -1.134 61.131 62.300 -0.059 0.000 0.873 404 V CB 1.631 33.472 31.823 0.029 0.000 0.992 404 V HN 0.229 nan 8.190 nan 0.000 0.428 405 A N 3.683 126.335 122.820 -0.280 0.000 2.386 405 A HA 0.883 5.198 4.320 -0.009 0.000 0.248 405 A C 0.262 177.875 177.584 0.048 0.000 1.082 405 A CA 0.352 52.128 52.037 -0.434 0.000 0.789 405 A CB 0.681 18.723 19.000 -1.597 0.000 1.025 405 A HN 1.585 nan 8.150 nan 0.000 0.490 406 A N 0.449 123.392 122.820 0.203 0.000 2.539 406 A HA 0.739 5.053 4.320 -0.009 0.000 0.296 406 A C -0.738 176.928 177.584 0.136 0.000 1.073 406 A CA -0.273 51.880 52.037 0.194 0.000 0.700 406 A CB 1.362 20.461 19.000 0.164 0.000 1.296 406 A HN 1.794 nan 8.150 nan 0.000 0.405 407 V N -0.730 119.095 119.914 -0.148 0.000 3.130 407 V HA 0.893 5.007 4.120 -0.009 0.000 0.310 407 V C -0.487 175.491 176.094 -0.194 0.000 1.158 407 V CA -0.706 61.409 62.300 -0.309 0.000 1.029 407 V CB 1.713 33.143 31.823 -0.654 0.000 1.057 407 V HN 1.059 nan 8.190 nan 0.000 0.436 408 E N 0.776 120.839 120.200 -0.228 0.000 2.412 408 E HA 0.552 4.896 4.350 -0.009 0.000 0.279 408 E C -1.055 175.451 176.600 -0.157 0.000 0.984 408 E CA -0.798 55.531 56.400 -0.119 0.000 0.788 408 E CB 1.732 31.406 29.700 -0.043 0.000 1.277 408 E HN 0.951 nan 8.360 nan 0.000 0.455 409 N N 1.901 120.553 118.700 -0.081 0.000 2.590 409 N HA -0.154 4.581 4.740 -0.009 0.000 0.273 409 N C -1.752 173.723 175.510 -0.058 0.000 1.210 409 N CA 0.592 53.603 53.050 -0.065 0.000 0.676 409 N CB -0.938 37.498 38.487 -0.084 0.000 0.881 409 N HN 0.486 nan 8.380 nan 0.000 0.550 410 I N 2.184 122.756 120.570 0.003 0.000 2.833 410 I HA 0.283 4.447 4.170 -0.009 0.000 0.286 410 I C -2.156 174.016 176.117 0.091 0.000 1.287 410 I CA -1.508 59.815 61.300 0.038 0.000 1.046 410 I CB 1.274 39.327 38.000 0.089 0.000 1.612 410 I HN 0.098 nan 8.210 nan 0.000 0.585 411 P HA 0.231 nan 4.420 nan 0.000 0.280 411 P C -0.492 176.888 177.300 0.134 0.000 1.300 411 P CA 0.156 63.310 63.100 0.091 0.000 0.785 411 P CB 0.762 32.489 31.700 0.045 0.000 0.874 412 L N 3.412 124.770 121.223 0.225 0.000 2.360 412 L HA 0.511 4.845 4.340 -0.009 0.000 0.271 412 L C 0.845 177.943 176.870 0.380 0.000 1.057 412 L CA -0.576 54.477 54.840 0.354 0.000 0.803 412 L CB 1.194 43.542 42.059 0.481 0.000 1.207 412 L HN 0.291 nan 8.230 nan 0.000 0.445 413 E N 0.818 121.275 120.200 0.428 0.000 2.356 413 E HA 0.550 4.895 4.350 -0.009 0.000 0.275 413 E C -1.793 175.102 176.600 0.491 0.000 0.904 413 E CA -0.649 55.884 56.400 0.223 0.000 0.757 413 E CB 2.603 32.350 29.700 0.077 0.000 1.232 413 E HN 0.519 nan 8.360 nan 0.000 0.442 414 W N 0.387 121.780 121.300 0.155 0.000 2.937 414 W HA 0.512 5.167 4.660 -0.008 0.000 0.360 414 W C -1.305 175.271 176.519 0.096 0.000 1.215 414 W CA -0.925 56.503 57.345 0.139 0.000 1.183 414 W CB 0.457 30.027 29.460 0.183 0.000 1.458 414 W HN 0.281 nan 8.180 nan 0.000 0.574 415 E N 2.381 122.771 120.200 0.318 0.000 2.046 415 E HA 0.471 4.816 4.350 -0.009 0.000 0.279 415 E C -2.296 174.474 176.600 0.285 0.000 0.989 415 E CA -2.332 54.174 56.400 0.178 0.000 0.798 415 E CB 0.716 30.496 29.700 0.134 0.000 1.086 415 E HN 0.125 nan 8.360 nan 0.000 0.399 416 P HA -0.091 nan 4.420 nan 0.000 0.261 416 P C -0.550 176.851 177.300 0.168 0.000 1.173 416 P CA 0.332 63.592 63.100 0.266 0.000 0.760 416 P CB 0.284 32.065 31.700 0.135 0.000 0.783 417 Q N 0.000 119.885 119.800 0.142 0.000 2.315 417 Q HA 0.000 4.334 4.340 -0.009 0.000 0.214 417 Q CA 0.000 55.853 55.803 0.084 0.000 1.022 417 Q CB 0.000 28.770 28.738 0.054 0.000 1.108 417 Q HN 0.000 nan 8.270 nan 0.000 0.481