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 3lxi_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 0.000 175.974 176.000 -0.043 0.000 1.003 10 Q CA 0.000 55.789 55.803 -0.024 0.000 1.022 10 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 11 K N 2.422 122.777 120.400 -0.074 0.000 2.156 11 K HA 0.257 4.576 4.320 -0.002 0.000 0.271 11 K C -0.592 176.022 176.600 0.023 0.000 0.995 11 K CA -0.881 55.321 56.287 -0.141 0.000 0.890 11 K CB 0.912 33.100 32.500 -0.520 0.000 1.073 11 K HN 0.580 nan 8.250 nan 0.000 0.454 12 H N 4.124 123.180 119.070 -0.022 0.000 2.848 12 H HA 0.102 4.656 4.556 -0.002 0.000 0.341 12 H C -0.612 174.824 175.328 0.180 0.000 1.060 12 H CA 0.666 56.751 56.048 0.062 0.000 1.444 12 H CB 0.682 30.470 29.762 0.043 0.000 1.446 12 H HN 0.556 nan 8.280 nan 0.000 0.583 13 R N 4.080 124.497 120.500 -0.139 0.000 2.698 13 R HA 0.519 4.857 4.340 -0.002 0.000 0.275 13 R C -2.142 174.107 176.300 -0.085 0.000 1.001 13 R CA -0.784 55.351 56.100 0.057 0.000 0.896 13 R CB 1.739 32.111 30.300 0.121 0.000 1.218 13 R HN 0.382 nan 8.270 nan 0.000 0.462 14 V N 2.256 122.199 119.914 0.048 0.000 2.769 14 V HA 0.688 4.807 4.120 -0.002 0.000 0.312 14 V C -0.270 175.921 176.094 0.161 0.000 1.061 14 V CA -0.632 61.733 62.300 0.108 0.000 0.931 14 V CB 1.919 33.861 31.823 0.199 0.000 1.010 14 V HN 1.008 nan 8.190 nan 0.000 0.433 15 A N 6.230 129.116 122.820 0.110 0.000 2.388 15 A HA 0.671 4.989 4.320 -0.002 0.000 0.257 15 A C -2.281 175.303 177.584 -0.001 0.000 1.095 15 A CA -1.121 50.946 52.037 0.049 0.000 0.791 15 A CB -0.035 18.960 19.000 -0.009 0.000 1.029 15 A HN 0.626 nan 8.150 nan 0.000 0.489 16 P HA 0.228 nan 4.420 nan 0.000 0.271 16 P C -2.534 174.419 177.300 -0.577 0.000 1.216 16 P CA -0.824 61.738 63.100 -0.896 0.000 0.771 16 P CB -0.013 31.147 31.700 -0.899 0.000 0.864 17 P HA 0.179 nan 4.420 nan 0.000 0.273 17 P C -2.008 175.094 177.300 -0.330 0.000 1.250 17 P CA -1.584 61.323 63.100 -0.321 0.000 0.793 17 P CB -0.596 30.997 31.700 -0.177 0.000 1.011 18 P HA -0.192 nan 4.420 nan 0.000 0.217 18 P C 1.385 178.649 177.300 -0.060 0.000 1.148 18 P CA 1.616 64.673 63.100 -0.072 0.000 0.828 18 P CB -0.491 31.214 31.700 0.008 0.000 0.783 19 H N -2.192 116.820 119.070 -0.096 0.000 2.551 19 H HA 0.119 4.674 4.556 -0.002 0.000 0.266 19 H C 0.002 175.301 175.328 -0.049 0.000 0.977 19 H CA 0.251 56.275 56.048 -0.040 0.000 1.163 19 H CB -0.650 29.122 29.762 0.018 0.000 1.381 19 H HN -0.067 nan 8.280 nan 0.000 0.581 20 V N 5.681 125.219 119.914 -0.628 0.000 2.368 20 V HA 0.207 4.325 4.120 -0.002 0.000 0.266 20 V C -1.881 173.973 176.094 -0.399 0.000 1.045 20 V CA -1.421 60.512 62.300 -0.611 0.000 0.899 20 V CB 1.302 32.374 31.823 -1.251 0.000 1.006 20 V HN 0.293 nan 8.190 nan 0.000 0.470 21 P HA 0.240 nan 4.420 nan 0.000 0.281 21 P C 1.096 178.257 177.300 -0.232 0.000 1.249 21 P CA -0.242 62.749 63.100 -0.181 0.000 0.810 21 P CB 1.473 33.117 31.700 -0.094 0.000 1.008 22 G N 1.540 110.271 108.800 -0.116 0.000 2.475 22 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.220 22 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.220 22 G C 1.340 176.212 174.900 -0.047 0.000 1.125 22 G CA 0.782 45.834 45.100 -0.080 0.000 0.755 22 G HN 0.826 nan 8.290 nan 0.000 0.565 23 H N -0.082 118.982 119.070 -0.010 0.000 2.546 23 H HA 0.174 4.729 4.556 -0.002 0.000 0.277 23 H C 1.872 177.221 175.328 0.036 0.000 1.004 23 H CA 0.462 56.517 56.048 0.011 0.000 1.231 23 H CB -0.256 29.514 29.762 0.015 0.000 1.382 23 H HN 0.369 nan 8.280 nan 0.000 0.580 24 L N 1.078 122.096 121.223 -0.343 0.000 2.607 24 L HA 0.262 4.601 4.340 -0.002 0.000 0.228 24 L C 0.572 177.433 176.870 -0.016 0.000 1.123 24 L CA -0.135 54.633 54.840 -0.121 0.000 0.890 24 L CB 0.262 42.283 42.059 -0.063 0.000 1.103 24 L HN 0.083 nan 8.230 nan 0.000 0.468 25 I N 1.235 121.781 120.570 -0.040 0.000 2.496 25 I HA 0.131 4.300 4.170 -0.002 0.000 0.285 25 I C 0.072 176.175 176.117 -0.023 0.000 1.080 25 I CA 0.119 61.424 61.300 0.008 0.000 1.404 25 I CB 0.400 38.406 38.000 0.011 0.000 1.403 25 I HN 0.073 nan 8.210 nan 0.000 0.539 26 R N 5.218 125.677 120.500 -0.069 0.000 2.621 26 R HA 0.333 4.672 4.340 -0.002 0.000 0.284 26 R C -1.037 175.142 176.300 -0.201 0.000 0.998 26 R CA -0.840 55.206 56.100 -0.090 0.000 0.895 26 R CB 1.684 31.961 30.300 -0.039 0.000 1.195 26 R HN 0.559 nan 8.270 nan 0.000 0.450 27 E N 3.367 123.453 120.200 -0.190 0.000 1.893 27 E HA 0.300 4.649 4.350 -0.002 0.000 0.269 27 E C -0.222 176.352 176.600 -0.043 0.000 1.129 27 E CA 0.069 56.286 56.400 -0.305 0.000 0.904 27 E CB 0.481 30.060 29.700 -0.202 0.000 1.077 27 E HN 0.312 nan 8.360 nan 0.000 0.407 28 I N 2.142 122.678 120.570 -0.057 0.000 2.466 28 I HA 0.159 4.328 4.170 -0.002 0.000 0.289 28 I C -0.462 175.760 176.117 0.175 0.000 1.026 28 I CA -0.820 60.499 61.300 0.032 0.000 1.078 28 I CB 1.776 39.755 38.000 -0.036 0.000 1.249 28 I HN 0.252 nan 8.210 nan 0.000 0.429 29 D N 5.428 125.904 120.400 0.126 0.000 2.473 29 D HA 0.391 5.029 4.640 -0.002 0.000 0.226 29 D C 0.896 177.174 176.300 -0.037 0.000 1.089 29 D CA -0.329 53.725 54.000 0.091 0.000 0.883 29 D CB 1.789 42.546 40.800 -0.073 0.000 1.029 29 D HN 0.638 nan 8.370 nan 0.000 0.517 30 A N 3.401 126.226 122.820 0.008 0.000 2.032 30 A HA -0.214 4.105 4.320 -0.002 0.000 0.221 30 A C 1.346 178.820 177.584 -0.182 0.000 1.165 30 A CA 1.206 53.182 52.037 -0.102 0.000 0.645 30 A CB -0.624 18.355 19.000 -0.035 0.000 0.807 30 A HN 0.697 nan 8.150 nan 0.000 0.453 31 Y N -1.714 118.609 120.300 0.038 0.000 2.511 31 Y HA 0.186 4.734 4.550 -0.002 0.000 0.279 31 Y C 0.405 176.317 175.900 0.019 0.000 1.157 31 Y CA 0.553 58.678 58.100 0.042 0.000 1.300 31 Y CB 0.623 39.105 38.460 0.037 0.000 1.052 31 Y HN 0.323 nan 8.280 nan 0.000 0.529 32 D N -0.041 120.404 120.400 0.075 0.000 3.118 32 D HA 0.136 4.775 4.640 -0.002 0.000 0.259 32 D C -1.093 175.161 176.300 -0.076 0.000 1.292 32 D CA -0.064 53.947 54.000 0.018 0.000 0.784 32 D CB -0.239 40.566 40.800 0.008 0.000 1.413 32 D HN -0.025 nan 8.370 nan 0.000 0.583 33 L N 1.116 122.248 121.223 -0.151 0.000 2.525 33 L HA 0.118 4.457 4.340 -0.002 0.000 0.278 33 L C 0.771 177.528 176.870 -0.188 0.000 1.218 33 L CA 0.023 54.695 54.840 -0.281 0.000 0.878 33 L CB 0.366 42.110 42.059 -0.525 0.000 1.127 33 L HN 0.309 nan 8.230 nan 0.000 0.492 34 D N 2.329 122.628 120.400 -0.168 0.000 2.531 34 D HA 0.199 4.838 4.640 -0.002 0.000 0.239 34 D C 1.040 177.264 176.300 -0.126 0.000 1.144 34 D CA 1.506 55.439 54.000 -0.112 0.000 0.869 34 D CB 0.590 41.342 40.800 -0.081 0.000 1.160 34 D HN 0.718 nan 8.370 nan 0.000 0.484 35 G N 3.002 111.751 108.800 -0.085 0.000 2.159 35 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.256 35 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.256 35 G C 0.960 175.805 174.900 -0.090 0.000 0.977 35 G CA 0.398 45.452 45.100 -0.077 0.000 0.652 35 G HN 0.588 nan 8.290 nan 0.000 0.531 36 L N 1.600 122.769 121.223 -0.090 0.000 2.127 36 L HA -0.008 4.330 4.340 -0.002 0.000 0.211 36 L C 2.799 179.669 176.870 -0.000 0.000 1.089 36 L CA 2.930 57.728 54.840 -0.070 0.000 0.757 36 L CB -0.262 41.783 42.059 -0.024 0.000 0.899 36 L HN 0.552 nan 8.230 nan 0.000 0.434 37 E N -0.842 119.385 120.200 0.044 0.000 2.331 37 E HA -0.258 4.090 4.350 -0.002 0.000 0.199 37 E C 1.296 177.979 176.600 0.138 0.000 1.008 37 E CA 1.198 57.678 56.400 0.132 0.000 0.843 37 E CB -0.522 29.225 29.700 0.078 0.000 0.761 37 E HN 0.686 nan 8.360 nan 0.000 0.507 38 Q N 0.637 120.438 119.800 0.001 0.000 2.392 38 Q HA 0.279 4.618 4.340 -0.002 0.000 0.203 38 Q C 0.657 176.534 176.000 -0.205 0.000 0.917 38 Q CA 0.791 56.578 55.803 -0.025 0.000 0.939 38 Q CB 1.090 29.809 28.738 -0.031 0.000 1.063 38 Q HN 0.362 nan 8.270 nan 0.000 0.516 39 G N 0.587 109.045 108.800 -0.570 0.000 2.379 39 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.609 39 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.609 39 G C -0.486 174.131 174.900 -0.470 0.000 1.484 39 G CA -0.543 43.930 45.100 -1.045 0.000 0.921 39 G HN 0.096 nan 8.290 nan 0.000 0.658 40 F N 0.896 120.565 119.950 -0.469 0.000 2.069 40 F HA -0.097 4.429 4.527 -0.003 0.000 0.298 40 F C 2.483 178.094 175.800 -0.315 0.000 1.113 40 F CA 2.792 60.602 58.000 -0.316 0.000 1.214 40 F CB 0.006 38.790 39.000 -0.360 0.000 0.978 40 F HN 0.663 nan 8.300 nan 0.000 0.474 41 H N -0.418 118.558 119.070 -0.156 0.000 2.357 41 H HA -0.112 4.443 4.556 -0.002 0.000 0.301 41 H C 2.000 177.238 175.328 -0.151 0.000 1.082 41 H CA 1.797 57.735 56.048 -0.183 0.000 1.342 41 H CB -0.288 29.443 29.762 -0.052 0.000 1.389 41 H HN 0.274 nan 8.280 nan 0.000 0.511 42 E N 0.568 120.755 120.200 -0.021 0.000 2.077 42 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 42 E C 2.370 178.906 176.600 -0.106 0.000 0.989 42 E CA 1.063 57.437 56.400 -0.043 0.000 0.800 42 E CB -0.265 29.409 29.700 -0.043 0.000 0.746 42 E HN 0.508 nan 8.360 nan 0.000 0.452 43 A N 0.010 122.707 122.820 -0.204 0.000 1.877 43 A HA -0.178 4.140 4.320 -0.002 0.000 0.216 43 A C 2.012 179.406 177.584 -0.317 0.000 1.186 43 A CA 1.370 53.240 52.037 -0.278 0.000 0.620 43 A CB -1.176 17.610 19.000 -0.357 0.000 0.822 43 A HN 0.428 nan 8.150 nan 0.000 0.443 44 W N 0.207 121.274 121.300 -0.388 0.000 2.342 44 W HA -0.143 4.515 4.660 -0.003 0.000 0.297 44 W C 2.302 178.700 176.519 -0.201 0.000 1.213 44 W CA 1.174 58.312 57.345 -0.345 0.000 1.251 44 W CB 0.108 29.257 29.460 -0.519 0.000 1.136 44 W HN 0.134 nan 8.180 nan 0.000 0.526 45 K N 0.442 120.882 120.400 0.067 0.000 2.147 45 K HA -0.127 4.192 4.320 -0.002 0.000 0.205 45 K C 1.729 178.346 176.600 0.028 0.000 1.049 45 K CA 1.244 57.556 56.287 0.043 0.000 0.936 45 K CB -0.585 31.927 32.500 0.020 0.000 0.722 45 K HN 0.298 nan 8.250 nan 0.000 0.446 46 R N 0.342 120.840 120.500 -0.004 0.000 2.139 46 R HA -0.105 4.233 4.340 -0.002 0.000 0.243 46 R C 2.205 178.511 176.300 0.010 0.000 1.145 46 R CA 1.056 57.148 56.100 -0.012 0.000 0.976 46 R CB -0.325 29.945 30.300 -0.050 0.000 0.866 46 R HN -0.040 nan 8.270 nan 0.000 0.449 47 V N 0.467 120.407 119.914 0.044 0.000 2.548 47 V HA -0.154 3.964 4.120 -0.002 0.000 0.249 47 V C 1.361 177.500 176.094 0.075 0.000 1.055 47 V CA 1.178 63.526 62.300 0.081 0.000 1.065 47 V CB -0.280 31.660 31.823 0.196 0.000 0.681 47 V HN 0.313 nan 8.190 nan 0.000 0.462 48 Q N 1.329 121.170 119.800 0.068 0.000 2.835 48 Q HA 0.180 4.518 4.340 -0.002 0.000 0.235 48 Q C -0.106 175.913 176.000 0.031 0.000 1.313 48 Q CA -0.118 55.712 55.803 0.044 0.000 1.053 48 Q CB 0.105 28.864 28.738 0.036 0.000 1.443 48 Q HN 0.621 nan 8.270 nan 0.000 0.576 49 Q N 1.604 121.421 119.800 0.029 0.000 2.212 49 Q HA 0.199 4.538 4.340 -0.002 0.000 0.238 49 Q C -1.785 174.227 176.000 0.020 0.000 0.955 49 Q CA -2.068 53.749 55.803 0.022 0.000 0.906 49 Q CB 0.910 29.660 28.738 0.021 0.000 1.215 49 Q HN 0.358 nan 8.270 nan 0.000 0.478 50 P HA -0.188 nan 4.420 nan 0.000 0.217 50 P C -0.046 177.262 177.300 0.013 0.000 1.151 50 P CA 1.476 64.584 63.100 0.012 0.000 0.849 50 P CB 0.259 31.965 31.700 0.009 0.000 0.787 51 D N -2.594 117.816 120.400 0.017 0.000 2.395 51 D HA 0.020 4.659 4.640 -0.002 0.000 0.213 51 D C 0.544 176.862 176.300 0.031 0.000 1.110 51 D CA 0.340 54.352 54.000 0.020 0.000 0.835 51 D CB -0.381 40.430 40.800 0.018 0.000 0.965 51 D HN 0.138 nan 8.370 nan 0.000 0.505 52 T N 1.289 115.863 114.554 0.032 0.000 2.901 52 T HA 0.253 4.602 4.350 -0.002 0.000 0.301 52 T C -2.450 172.280 174.700 0.049 0.000 1.012 52 T CA -1.368 60.759 62.100 0.045 0.000 1.135 52 T CB 1.109 70.004 68.868 0.045 0.000 0.936 52 T HN -0.228 nan 8.240 nan 0.000 0.539 53 P HA 0.158 nan 4.420 nan 0.000 0.268 53 P C -1.825 175.506 177.300 0.052 0.000 1.208 53 P CA -1.372 61.774 63.100 0.077 0.000 0.777 53 P CB 0.125 31.900 31.700 0.124 0.000 0.875 54 P HA -0.049 nan 4.420 nan 0.000 0.220 54 P C -0.026 177.255 177.300 -0.031 0.000 1.148 54 P CA 1.528 64.602 63.100 -0.043 0.000 0.803 54 P CB 0.277 31.922 31.700 -0.091 0.000 0.782 55 L N 0.303 121.551 121.223 0.042 0.000 2.406 55 L HA 0.326 4.665 4.340 -0.002 0.000 0.272 55 L C -0.189 176.890 176.870 0.348 0.000 0.980 55 L CA -1.333 53.586 54.840 0.133 0.000 0.831 55 L CB 1.809 43.835 42.059 -0.054 0.000 1.253 55 L HN -0.240 nan 8.230 nan 0.000 0.406 56 V N 0.361 120.514 119.914 0.398 0.000 2.960 56 V HA 0.713 4.832 4.120 -0.002 0.000 0.315 56 V C -1.386 174.894 176.094 0.310 0.000 1.087 56 V CA -0.973 61.526 62.300 0.332 0.000 0.982 56 V CB 2.261 34.171 31.823 0.145 0.000 1.039 56 V HN 0.831 nan 8.190 nan 0.000 0.437 57 W N 1.941 123.112 121.300 -0.215 0.000 2.587 57 W HA 0.711 5.370 4.660 -0.002 0.000 0.324 57 W C -0.218 176.032 176.519 -0.447 0.000 1.040 57 W CA -0.232 56.761 57.345 -0.587 0.000 1.222 57 W CB 1.898 30.682 29.460 -1.126 0.000 1.381 57 W HN 0.935 nan 8.180 nan 0.000 0.483 58 T N 7.200 121.060 114.554 -1.157 0.000 2.824 58 T HA 0.373 4.722 4.350 -0.002 0.000 0.280 58 T C -1.658 172.024 174.700 -1.697 0.000 0.995 58 T CA -2.281 59.170 62.100 -1.081 0.000 1.009 58 T CB 1.767 70.179 68.868 -0.759 0.000 0.955 58 T HN 0.410 nan 8.240 nan 0.000 0.452 59 P HA 0.155 nan 4.420 nan 0.000 0.249 59 P C -0.007 177.026 177.300 -0.445 0.000 1.229 59 P CA 0.114 62.709 63.100 -0.843 0.000 0.788 59 P CB -0.045 31.418 31.700 -0.395 0.000 1.072 60 F N -0.301 119.432 119.950 -0.360 0.000 2.380 60 F HA 0.262 4.787 4.527 -0.003 0.000 0.319 60 F C 1.688 177.442 175.800 -0.076 0.000 1.113 60 F CA -0.677 57.241 58.000 -0.136 0.000 1.056 60 F CB 0.436 39.380 39.000 -0.094 0.000 1.289 60 F HN -0.267 nan 8.300 nan 0.000 0.515 61 T N 0.628 115.367 114.554 0.309 0.000 3.852 61 T HA -0.194 4.155 4.350 -0.002 0.000 0.361 61 T C 0.692 175.539 174.700 0.246 0.000 0.759 61 T CA 1.125 63.392 62.100 0.279 0.000 1.899 61 T CB -1.808 67.300 68.868 0.401 0.000 1.822 61 T HN 1.792 nan 8.240 nan 0.000 0.778 62 G N -0.717 108.200 108.800 0.193 0.000 2.175 62 G HA2 0.287 4.246 3.960 -0.002 0.000 0.244 62 G HA3 0.287 4.246 3.960 -0.002 0.000 0.244 62 G C 1.342 176.325 174.900 0.139 0.000 0.982 62 G CA 0.539 45.745 45.100 0.176 0.000 0.641 62 G HN 2.762 nan 8.290 nan 0.000 0.527 63 G N -0.672 108.102 108.800 -0.044 0.000 3.399 63 G HA2 0.529 4.488 3.960 -0.002 0.000 0.685 63 G HA3 0.529 4.488 3.960 -0.002 0.000 0.685 63 G C -0.424 174.314 174.900 -0.270 0.000 0.952 63 G CA 0.693 45.557 45.100 -0.394 0.000 0.793 63 G HN 2.862 nan 8.290 nan 0.000 0.492 64 H N -1.438 117.155 119.070 -0.795 0.000 2.987 64 H HA 0.671 5.226 4.556 -0.002 0.000 0.316 64 H C -0.654 174.366 175.328 -0.515 0.000 1.380 64 H CA -1.671 54.150 56.048 -0.379 0.000 1.160 64 H CB 0.132 29.835 29.762 -0.098 0.000 1.865 64 H HN 0.621 nan 8.280 nan 0.000 0.521 65 W N 0.694 122.086 121.300 0.154 0.000 2.283 65 W HA 0.630 5.289 4.660 -0.003 0.000 0.341 65 W C -0.262 176.348 176.519 0.152 0.000 1.206 65 W CA -0.568 56.860 57.345 0.138 0.000 1.294 65 W CB 0.895 30.465 29.460 0.182 0.000 1.154 65 W HN 0.431 nan 8.180 nan 0.000 0.613 66 I N 2.488 123.277 120.570 0.366 0.000 2.499 66 I HA 0.364 4.533 4.170 -0.002 0.000 0.288 66 I C -0.188 176.003 176.117 0.123 0.000 1.048 66 I CA -1.241 60.182 61.300 0.205 0.000 1.062 66 I CB 1.457 39.571 38.000 0.189 0.000 1.238 66 I HN 0.443 nan 8.210 nan 0.000 0.426 67 A N 3.348 126.159 122.820 -0.015 0.000 2.409 67 A HA 0.420 4.739 4.320 -0.002 0.000 0.267 67 A C 0.949 178.462 177.584 -0.118 0.000 1.127 67 A CA -0.015 51.962 52.037 -0.101 0.000 0.795 67 A CB 0.033 18.909 19.000 -0.205 0.000 1.061 67 A HN 0.861 nan 8.150 nan 0.000 0.502 68 T N -0.100 114.403 114.554 -0.085 0.000 3.054 68 T HA 0.298 4.647 4.350 -0.002 0.000 0.255 68 T C 0.532 175.182 174.700 -0.083 0.000 1.035 68 T CA -0.162 61.901 62.100 -0.062 0.000 0.941 68 T CB 0.040 68.911 68.868 0.005 0.000 1.026 68 T HN 0.532 nan 8.240 nan 0.000 0.533 69 R N -0.175 120.248 120.500 -0.128 0.000 2.725 69 R HA 0.558 4.897 4.340 -0.002 0.000 0.277 69 R C 1.325 177.507 176.300 -0.198 0.000 0.987 69 R CA -0.301 55.730 56.100 -0.116 0.000 0.901 69 R CB 1.343 31.591 30.300 -0.086 0.000 1.207 69 R HN 0.192 nan 8.270 nan 0.000 0.463 70 G N 0.193 108.853 108.800 -0.233 0.000 2.442 70 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.219 70 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.219 70 G C 1.239 175.717 174.900 -0.702 0.000 1.141 70 G CA 1.824 46.560 45.100 -0.607 0.000 0.763 70 G HN 0.639 nan 8.290 nan 0.000 0.554 71 T N -0.170 114.214 114.554 -0.284 0.000 2.867 71 T HA -0.009 4.340 4.350 -0.002 0.000 0.268 71 T C 2.407 176.994 174.700 -0.189 0.000 1.057 71 T CA 1.251 63.257 62.100 -0.157 0.000 1.136 71 T CB -0.184 68.726 68.868 0.069 0.000 0.874 71 T HN 0.073 nan 8.240 nan 0.000 0.466 72 L N 0.297 121.340 121.223 -0.299 0.000 2.056 72 L HA 0.210 4.549 4.340 -0.002 0.000 0.207 72 L C 2.588 179.310 176.870 -0.247 0.000 1.078 72 L CA 1.246 55.878 54.840 -0.346 0.000 0.749 72 L CB -0.449 41.316 42.059 -0.490 0.000 0.901 72 L HN 0.318 nan 8.230 nan 0.000 0.433 73 I N -0.752 119.646 120.570 -0.287 0.000 2.142 73 I HA -0.313 3.856 4.170 -0.002 0.000 0.240 73 I C 2.374 178.408 176.117 -0.139 0.000 1.078 73 I CA 1.517 62.651 61.300 -0.277 0.000 1.343 73 I CB -0.467 37.404 38.000 -0.214 0.000 1.046 73 I HN 0.355 nan 8.210 nan 0.000 0.405 74 D N 0.908 121.236 120.400 -0.120 0.000 2.106 74 D HA -0.281 4.358 4.640 -0.002 0.000 0.191 74 D C 2.049 178.396 176.300 0.078 0.000 0.997 74 D CA 1.766 55.788 54.000 0.038 0.000 0.834 74 D CB -0.039 40.724 40.800 -0.063 0.000 0.956 74 D HN 0.398 nan 8.370 nan 0.000 0.448 75 E N -0.184 120.041 120.200 0.042 0.000 2.077 75 E HA -0.150 4.199 4.350 -0.002 0.000 0.193 75 E C 2.591 179.245 176.600 0.091 0.000 0.989 75 E CA 0.680 57.160 56.400 0.134 0.000 0.800 75 E CB -0.088 29.768 29.700 0.259 0.000 0.746 75 E HN 0.355 nan 8.360 nan 0.000 0.452 76 I N 0.137 120.635 120.570 -0.120 0.000 2.179 76 I HA -0.290 3.879 4.170 -0.002 0.000 0.242 76 I C 2.090 178.139 176.117 -0.114 0.000 1.088 76 I CA 1.088 62.133 61.300 -0.425 0.000 1.357 76 I CB -0.375 37.126 38.000 -0.832 0.000 1.051 76 I HN 0.194 nan 8.210 nan 0.000 0.409 77 Y N 0.996 121.260 120.300 -0.061 0.000 2.207 77 Y HA -0.202 4.346 4.550 -0.002 0.000 0.287 77 Y C 2.542 178.475 175.900 0.055 0.000 1.156 77 Y CA 1.303 59.405 58.100 0.004 0.000 1.182 77 Y CB -0.532 37.932 38.460 0.007 0.000 0.979 77 Y HN 0.064 nan 8.280 nan 0.000 0.521 78 R N -0.715 119.920 120.500 0.225 0.000 2.307 78 R HA 0.069 4.407 4.340 -0.002 0.000 0.199 78 R C 0.216 176.610 176.300 0.156 0.000 1.000 78 R CA 0.649 56.848 56.100 0.166 0.000 1.023 78 R CB 0.020 30.404 30.300 0.140 0.000 0.908 78 R HN 0.004 nan 8.270 nan 0.000 0.473 79 S N 1.282 117.099 115.700 0.195 0.000 2.078 79 S HA 0.176 4.645 4.470 -0.002 0.000 0.168 79 S C -1.949 172.761 174.600 0.183 0.000 1.542 79 S CA -1.026 57.292 58.200 0.197 0.000 1.223 79 S CB 1.284 64.650 63.200 0.277 0.000 1.152 79 S HN 0.106 nan 8.310 nan 0.000 0.452 80 P HA -0.125 nan 4.420 nan 0.000 0.221 80 P C 0.864 178.195 177.300 0.051 0.000 1.145 80 P CA 1.029 64.198 63.100 0.115 0.000 0.795 80 P CB 0.327 32.087 31.700 0.099 0.000 0.775 81 E N -0.380 119.827 120.200 0.012 0.000 2.274 81 E HA -0.058 4.291 4.350 -0.002 0.000 0.194 81 E C 2.098 178.619 176.600 -0.131 0.000 0.996 81 E CA 0.586 56.965 56.400 -0.036 0.000 0.840 81 E CB -0.018 29.667 29.700 -0.026 0.000 0.772 81 E HN 0.289 nan 8.360 nan 0.000 0.491 82 R N -0.799 119.548 120.500 -0.255 0.000 2.254 82 R HA 0.145 4.484 4.340 -0.002 0.000 0.193 82 R C -0.289 175.442 176.300 -0.948 0.000 0.929 82 R CA 0.199 55.902 56.100 -0.662 0.000 1.038 82 R CB 0.691 30.436 30.300 -0.926 0.000 1.009 82 R HN -0.046 nan 8.270 nan 0.000 0.512 83 F N 0.265 120.174 119.950 -0.067 0.000 2.716 83 F HA 0.299 4.825 4.527 -0.002 0.000 0.354 83 F C -0.056 175.755 175.800 0.018 0.000 1.168 83 F CA -0.888 57.080 58.000 -0.053 0.000 1.045 83 F CB 1.674 40.588 39.000 -0.145 0.000 1.311 83 F HN -0.232 nan 8.300 nan 0.000 0.477 84 S N 0.879 116.703 115.700 0.206 0.000 2.610 84 S HA 0.334 4.802 4.470 -0.002 0.000 0.273 84 S C 0.962 175.635 174.600 0.122 0.000 1.274 84 S CA -0.405 57.878 58.200 0.139 0.000 1.023 84 S CB 1.274 64.527 63.200 0.089 0.000 0.962 84 S HN 0.502 nan 8.310 nan 0.000 0.523 85 S N 2.261 118.000 115.700 0.064 0.000 2.671 85 S HA 0.045 4.514 4.470 -0.002 0.000 0.220 85 S C 1.812 176.417 174.600 0.008 0.000 0.951 85 S CA -0.126 58.080 58.200 0.009 0.000 0.932 85 S CB -0.300 62.850 63.200 -0.084 0.000 0.777 85 S HN 0.772 nan 8.310 nan 0.000 0.508 86 R N 0.741 121.217 120.500 -0.040 0.000 2.152 86 R HA -0.001 4.338 4.340 -0.002 0.000 0.232 86 R C -0.072 176.190 176.300 -0.063 0.000 1.117 86 R CA 0.983 57.016 56.100 -0.113 0.000 0.981 86 R CB -0.159 29.958 30.300 -0.306 0.000 0.870 86 R HN 0.215 nan 8.270 nan 0.000 0.451 87 V N 2.315 122.244 119.914 0.024 0.000 2.569 87 V HA 0.230 4.348 4.120 -0.002 0.000 0.301 87 V C 0.223 176.380 176.094 0.105 0.000 1.044 87 V CA -0.820 61.546 62.300 0.110 0.000 0.874 87 V CB 1.795 33.760 31.823 0.238 0.000 1.002 87 V HN 0.369 nan 8.190 nan 0.000 0.424 88 I N -0.194 120.405 120.570 0.049 0.000 4.147 88 I HA 0.438 4.606 4.170 -0.002 0.000 0.329 88 I C 0.038 176.233 176.117 0.131 0.000 1.424 88 I CA -0.009 61.317 61.300 0.043 0.000 1.127 88 I CB 0.467 38.455 38.000 -0.020 0.000 1.128 88 I HN 0.435 nan 8.210 nan 0.000 0.417 89 W N 2.164 123.350 121.300 -0.190 0.000 2.799 89 W HA 0.663 5.322 4.660 -0.002 0.000 0.349 89 W C -0.866 175.616 176.519 -0.061 0.000 1.100 89 W CA -0.871 56.397 57.345 -0.129 0.000 1.174 89 W CB 2.573 31.967 29.460 -0.111 0.000 1.427 89 W HN -0.214 nan 8.180 nan 0.000 0.547 90 V N 0.732 120.691 119.914 0.075 0.000 2.815 90 V HA 0.598 4.717 4.120 -0.002 0.000 0.314 90 V C -2.352 173.925 176.094 0.305 0.000 1.064 90 V CA -2.736 59.611 62.300 0.078 0.000 0.952 90 V CB 1.357 33.030 31.823 -0.251 0.000 1.020 90 V HN 0.298 nan 8.190 nan 0.000 0.439 91 P HA 0.184 nan 4.420 nan 0.000 0.273 91 P C 0.641 178.047 177.300 0.177 0.000 1.250 91 P CA -0.324 62.888 63.100 0.187 0.000 0.793 91 P CB 0.945 32.726 31.700 0.135 0.000 1.011 92 R N 0.778 121.371 120.500 0.155 0.000 2.119 92 R HA -0.239 4.100 4.340 -0.002 0.000 0.246 92 R C 1.730 178.110 176.300 0.133 0.000 1.146 92 R CA 2.095 58.288 56.100 0.156 0.000 0.962 92 R CB -0.370 30.026 30.300 0.159 0.000 0.863 92 R HN 0.402 nan 8.270 nan 0.000 0.442 93 E N 0.008 120.271 120.200 0.106 0.000 2.118 93 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 93 E C 1.817 178.458 176.600 0.068 0.000 0.992 93 E CA 1.606 58.050 56.400 0.074 0.000 0.804 93 E CB -0.201 29.527 29.700 0.045 0.000 0.741 93 E HN 0.507 nan 8.360 nan 0.000 0.458 94 A N 0.383 123.265 122.820 0.102 0.000 1.898 94 A HA -0.011 4.308 4.320 -0.002 0.000 0.216 94 A C 2.448 180.065 177.584 0.056 0.000 1.181 94 A CA 1.565 53.658 52.037 0.093 0.000 0.620 94 A CB -1.119 18.025 19.000 0.240 0.000 0.819 94 A HN 0.353 nan 8.150 nan 0.000 0.442 95 G N -0.453 108.435 108.800 0.147 0.000 2.422 95 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.218 95 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.218 95 G C 1.415 176.366 174.900 0.086 0.000 1.146 95 G CA 0.997 46.173 45.100 0.126 0.000 0.769 95 G HN 0.657 nan 8.290 nan 0.000 0.547 96 E N 0.319 120.567 120.200 0.081 0.000 2.152 96 E HA 0.085 4.434 4.350 -0.002 0.000 0.192 96 E C 2.837 179.453 176.600 0.026 0.000 0.983 96 E CA 0.563 56.998 56.400 0.058 0.000 0.818 96 E CB -0.073 29.664 29.700 0.062 0.000 0.758 96 E HN 0.412 nan 8.360 nan 0.000 0.467 97 A N 0.897 123.720 122.820 0.005 0.000 2.014 97 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 97 A C 0.816 178.350 177.584 -0.084 0.000 1.163 97 A CA 0.209 52.217 52.037 -0.047 0.000 0.652 97 A CB -0.512 18.451 19.000 -0.062 0.000 0.808 97 A HN 0.329 nan 8.150 nan 0.000 0.449 98 Y N 1.227 121.386 120.300 -0.235 0.000 2.721 98 Y HA 0.197 4.746 4.550 -0.002 0.000 0.329 98 Y C -0.322 175.451 175.900 -0.213 0.000 1.211 98 Y CA 0.351 58.255 58.100 -0.326 0.000 1.512 98 Y CB 0.310 38.510 38.460 -0.432 0.000 1.249 98 Y HN 0.223 nan 8.280 nan 0.000 0.549 99 D N 7.637 127.701 120.400 -0.560 0.000 2.405 99 D HA 0.240 4.879 4.640 -0.002 0.000 0.264 99 D C -1.347 174.751 176.300 -0.335 0.000 1.240 99 D CA -0.301 53.503 54.000 -0.325 0.000 0.893 99 D CB 0.015 40.695 40.800 -0.201 0.000 1.198 99 D HN 0.452 nan 8.370 nan 0.000 0.514 100 M N 1.284 120.576 119.600 -0.514 0.000 2.572 100 M HA 0.522 5.001 4.480 -0.002 0.000 0.299 100 M C -0.860 175.369 176.300 -0.120 0.000 1.205 100 M CA -1.082 54.007 55.300 -0.352 0.000 0.876 100 M CB 2.174 34.417 32.600 -0.595 0.000 1.728 100 M HN -0.102 nan 8.290 nan 0.000 0.458 101 V N 3.465 123.332 119.914 -0.078 0.000 2.709 101 V HA 0.487 4.606 4.120 -0.002 0.000 0.308 101 V C -2.026 174.069 176.094 0.001 0.000 1.062 101 V CA -0.866 61.389 62.300 -0.074 0.000 0.901 101 V CB 2.709 34.386 31.823 -0.243 0.000 1.003 101 V HN 0.674 nan 8.190 nan 0.000 0.425 102 P HA 0.139 nan 4.420 nan 0.000 0.266 102 P C 0.847 178.388 177.300 0.402 0.000 1.561 102 P CA 0.082 63.285 63.100 0.172 0.000 1.089 102 P CB 0.710 32.519 31.700 0.181 0.000 1.534 103 T N 0.819 115.568 114.554 0.326 0.000 3.072 103 T HA -0.050 4.298 4.350 -0.002 0.000 0.266 103 T C 1.412 176.239 174.700 0.212 0.000 1.127 103 T CA 1.241 63.528 62.100 0.311 0.000 1.107 103 T CB -0.173 68.880 68.868 0.309 0.000 0.910 103 T HN 0.340 nan 8.240 nan 0.000 0.513 104 K N 0.125 120.671 120.400 0.244 0.000 2.393 104 K HA 0.244 4.563 4.320 -0.002 0.000 0.193 104 K C 0.363 177.050 176.600 0.145 0.000 1.026 104 K CA 0.208 56.606 56.287 0.186 0.000 1.064 104 K CB 0.190 32.788 32.500 0.163 0.000 0.833 104 K HN 0.254 nan 8.250 nan 0.000 0.521 105 L N 1.758 123.119 121.223 0.230 0.000 2.331 105 L HA 0.361 4.700 4.340 -0.002 0.000 0.275 105 L C -0.423 176.623 176.870 0.295 0.000 1.022 105 L CA -1.125 53.852 54.840 0.228 0.000 0.812 105 L CB 1.296 43.496 42.059 0.235 0.000 1.257 105 L HN 0.089 nan 8.230 nan 0.000 0.435 106 D N 1.650 122.167 120.400 0.195 0.000 2.332 106 D HA 0.349 4.988 4.640 -0.002 0.000 0.252 106 D C -2.407 173.985 176.300 0.153 0.000 1.050 106 D CA -1.393 52.705 54.000 0.163 0.000 0.970 106 D CB 1.224 42.086 40.800 0.104 0.000 1.141 106 D HN 0.164 nan 8.370 nan 0.000 0.485 107 P HA 0.078 nan 4.420 nan 0.000 0.268 107 P C -1.703 175.649 177.300 0.086 0.000 1.205 107 P CA -0.702 62.466 63.100 0.113 0.000 0.771 107 P CB 0.247 31.989 31.700 0.071 0.000 0.858 108 P HA 0.039 nan 4.420 nan 0.000 0.245 108 P C 0.717 178.082 177.300 0.108 0.000 1.203 108 P CA 0.757 63.908 63.100 0.085 0.000 0.792 108 P CB 0.440 32.173 31.700 0.054 0.000 0.997 109 E N -0.142 120.135 120.200 0.128 0.000 2.118 109 E HA -0.220 4.129 4.350 -0.002 0.000 0.195 109 E C 2.038 178.777 176.600 0.231 0.000 0.992 109 E CA 1.224 57.721 56.400 0.162 0.000 0.804 109 E CB -1.150 28.637 29.700 0.145 0.000 0.741 109 E HN 0.493 nan 8.360 nan 0.000 0.458 110 H N -0.183 118.960 119.070 0.121 0.000 2.352 110 H HA -0.145 4.410 4.556 -0.002 0.000 0.299 110 H C 2.179 177.567 175.328 0.100 0.000 1.097 110 H CA 2.291 58.405 56.048 0.111 0.000 1.311 110 H CB -0.308 29.455 29.762 0.001 0.000 1.377 110 H HN 0.203 nan 8.280 nan 0.000 0.504 111 T N -0.453 114.089 114.554 -0.020 0.000 2.821 111 T HA -0.014 4.334 4.350 -0.002 0.000 0.267 111 T C -0.583 174.019 174.700 -0.165 0.000 1.046 111 T CA 0.957 62.983 62.100 -0.123 0.000 1.139 111 T CB -0.864 68.023 68.868 0.031 0.000 0.871 111 T HN 0.365 nan 8.240 nan 0.000 0.454 112 P HA -0.037 nan 4.420 nan 0.000 0.218 112 P C 0.737 177.826 177.300 -0.352 0.000 1.149 112 P CA 1.220 64.169 63.100 -0.252 0.000 0.817 112 P CB -0.322 31.186 31.700 -0.319 0.000 0.785 113 Y N -0.109 120.100 120.300 -0.153 0.000 2.220 113 Y HA -0.112 4.436 4.550 -0.002 0.000 0.291 113 Y C 2.886 178.677 175.900 -0.182 0.000 1.129 113 Y CA 0.957 58.972 58.100 -0.141 0.000 1.161 113 Y CB -0.558 37.838 38.460 -0.107 0.000 0.997 113 Y HN -0.191 nan 8.280 nan 0.000 0.522 114 R N 1.339 121.709 120.500 -0.217 0.000 2.081 114 R HA -0.108 4.231 4.340 -0.002 0.000 0.235 114 R C 1.826 178.058 176.300 -0.114 0.000 1.131 114 R CA 1.526 57.493 56.100 -0.222 0.000 0.960 114 R CB -0.326 29.711 30.300 -0.437 0.000 0.856 114 R HN 0.071 nan 8.270 nan 0.000 0.436 115 K N 0.222 120.545 120.400 -0.128 0.000 2.057 115 K HA -0.055 4.264 4.320 -0.002 0.000 0.207 115 K C 2.024 178.580 176.600 -0.073 0.000 1.049 115 K CA 1.420 57.654 56.287 -0.088 0.000 0.931 115 K CB -0.495 31.947 32.500 -0.096 0.000 0.714 115 K HN 0.281 nan 8.250 nan 0.000 0.440 116 A N 1.764 124.529 122.820 -0.092 0.000 1.883 116 A HA -0.169 4.149 4.320 -0.002 0.000 0.217 116 A C 2.312 179.885 177.584 -0.018 0.000 1.186 116 A CA 1.501 53.500 52.037 -0.063 0.000 0.624 116 A CB -0.698 18.255 19.000 -0.077 0.000 0.822 116 A HN 0.201 nan 8.150 nan 0.000 0.444 117 I N 0.029 120.600 120.570 0.001 0.000 2.208 117 I HA -0.254 3.915 4.170 -0.002 0.000 0.245 117 I C 1.715 177.843 176.117 0.018 0.000 1.097 117 I CA 1.546 62.860 61.300 0.024 0.000 1.363 117 I CB -0.446 37.578 38.000 0.039 0.000 1.051 117 I HN 0.238 nan 8.210 nan 0.000 0.413 118 D N 0.826 121.228 120.400 0.003 0.000 2.218 118 D HA -0.147 4.492 4.640 -0.002 0.000 0.204 118 D C 2.101 178.402 176.300 0.002 0.000 0.976 118 D CA 0.814 54.820 54.000 0.009 0.000 0.853 118 D CB -0.206 40.595 40.800 0.000 0.000 0.939 118 D HN 0.214 nan 8.370 nan 0.000 0.481 119 K N 0.217 120.611 120.400 -0.010 0.000 2.103 119 K HA -0.067 4.252 4.320 -0.002 0.000 0.207 119 K C 2.032 178.629 176.600 -0.006 0.000 1.048 119 K CA 1.158 57.437 56.287 -0.014 0.000 0.930 119 K CB -0.583 31.904 32.500 -0.022 0.000 0.716 119 K HN 0.246 nan 8.250 nan 0.000 0.444 120 G N -0.144 108.659 108.800 0.006 0.000 2.545 120 G HA2 0.001 3.960 3.960 -0.002 0.000 0.212 120 G HA3 0.001 3.960 3.960 -0.002 0.000 0.212 120 G C 1.343 176.258 174.900 0.025 0.000 1.144 120 G CA -0.171 44.936 45.100 0.011 0.000 0.813 120 G HN 0.149 nan 8.290 nan 0.000 0.531 121 L N 1.451 122.697 121.223 0.040 0.000 2.693 121 L HA 0.209 4.548 4.340 -0.002 0.000 0.235 121 L C 0.841 177.765 176.870 0.091 0.000 1.127 121 L CA -0.371 54.508 54.840 0.065 0.000 0.914 121 L CB -0.184 41.917 42.059 0.070 0.000 1.193 121 L HN 0.307 nan 8.230 nan 0.000 0.502 122 N N 0.370 119.098 118.700 0.047 0.000 2.381 122 N HA -0.085 4.653 4.740 -0.002 0.000 0.241 122 N C 1.135 176.587 175.510 -0.096 0.000 1.279 122 N CA -0.381 52.672 53.050 0.006 0.000 0.896 122 N CB 1.546 40.012 38.487 -0.034 0.000 1.118 122 N HN -0.052 nan 8.380 nan 0.000 0.438 123 L N 2.246 123.240 121.223 -0.382 0.000 2.013 123 L HA -0.191 4.148 4.340 -0.002 0.000 0.212 123 L C 2.554 179.311 176.870 -0.187 0.000 1.073 123 L CA 2.344 56.897 54.840 -0.478 0.000 0.753 123 L CB -1.142 40.466 42.059 -0.751 0.000 0.890 123 L HN 0.822 nan 8.230 nan 0.000 0.432 124 A N -1.042 121.693 122.820 -0.141 0.000 1.933 124 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 124 A C 2.147 179.704 177.584 -0.046 0.000 1.175 124 A CA 1.677 53.668 52.037 -0.076 0.000 0.628 124 A CB -0.558 18.405 19.000 -0.062 0.000 0.814 124 A HN 0.561 nan 8.150 nan 0.000 0.444 125 E N -0.058 120.118 120.200 -0.040 0.000 2.072 125 E HA -0.136 4.213 4.350 -0.002 0.000 0.191 125 E C 2.032 178.629 176.600 -0.005 0.000 0.985 125 E CA 0.902 57.291 56.400 -0.018 0.000 0.801 125 E CB -0.379 29.316 29.700 -0.010 0.000 0.750 125 E HN 0.542 nan 8.360 nan 0.000 0.452 126 I N 0.986 121.556 120.570 0.001 0.000 2.226 126 I HA -0.206 3.963 4.170 -0.002 0.000 0.245 126 I C 2.342 178.475 176.117 0.026 0.000 1.100 126 I CA 1.001 62.318 61.300 0.028 0.000 1.374 126 I CB -1.008 37.030 38.000 0.063 0.000 1.057 126 I HN 0.064 nan 8.210 nan 0.000 0.413 127 R N 0.914 121.417 120.500 0.006 0.000 2.133 127 R HA -0.209 4.130 4.340 -0.002 0.000 0.247 127 R C 2.102 178.412 176.300 0.018 0.000 1.151 127 R CA 1.389 57.496 56.100 0.013 0.000 0.971 127 R CB -0.291 30.006 30.300 -0.006 0.000 0.866 127 R HN 0.416 nan 8.270 nan 0.000 0.447 128 K N 0.387 120.793 120.400 0.010 0.000 2.360 128 K HA -0.080 4.239 4.320 -0.002 0.000 0.201 128 K C 1.570 178.181 176.600 0.018 0.000 1.046 128 K CA 0.827 57.120 56.287 0.010 0.000 0.945 128 K CB 0.071 32.571 32.500 0.001 0.000 0.750 128 K HN 0.238 nan 8.250 nan 0.000 0.464 129 L N 0.126 121.364 121.223 0.026 0.000 2.592 129 L HA 0.068 4.407 4.340 -0.002 0.000 0.227 129 L C 2.150 179.052 176.870 0.053 0.000 1.127 129 L CA 0.058 54.917 54.840 0.032 0.000 0.884 129 L CB -0.186 41.891 42.059 0.030 0.000 1.065 129 L HN 0.189 nan 8.230 nan 0.000 0.457 130 E N 1.435 121.671 120.200 0.059 0.000 2.049 130 E HA -0.325 4.024 4.350 -0.002 0.000 0.198 130 E C 1.557 178.208 176.600 0.085 0.000 1.007 130 E CA 2.181 58.630 56.400 0.081 0.000 0.809 130 E CB 0.124 29.867 29.700 0.072 0.000 0.749 130 E HN 0.419 nan 8.360 nan 0.000 0.450 131 D N -0.628 119.809 120.400 0.063 0.000 2.183 131 D HA -0.116 4.523 4.640 -0.002 0.000 0.203 131 D C 2.012 178.351 176.300 0.065 0.000 0.969 131 D CA 0.935 54.971 54.000 0.060 0.000 0.842 131 D CB 0.115 40.940 40.800 0.042 0.000 0.957 131 D HN 0.232 nan 8.370 nan 0.000 0.484 132 Q N -0.353 119.481 119.800 0.056 0.000 2.084 132 Q HA -0.088 4.250 4.340 -0.002 0.000 0.202 132 Q C 2.289 178.341 176.000 0.086 0.000 0.978 132 Q CA 0.994 56.829 55.803 0.053 0.000 0.844 132 Q CB 0.027 28.783 28.738 0.030 0.000 0.898 132 Q HN 0.409 nan 8.270 nan 0.000 0.426 133 I N 0.198 120.835 120.570 0.111 0.000 2.179 133 I HA -0.300 3.868 4.170 -0.002 0.000 0.242 133 I C 2.610 178.897 176.117 0.282 0.000 1.088 133 I CA 1.111 62.527 61.300 0.193 0.000 1.357 133 I CB -0.250 37.871 38.000 0.201 0.000 1.051 133 I HN 0.155 nan 8.210 nan 0.000 0.409 134 R N 0.506 121.123 120.500 0.196 0.000 2.083 134 R HA -0.179 4.160 4.340 -0.002 0.000 0.237 134 R C 2.295 178.672 176.300 0.128 0.000 1.137 134 R CA 2.168 58.364 56.100 0.159 0.000 0.951 134 R CB -0.380 29.984 30.300 0.106 0.000 0.851 134 R HN 0.224 nan 8.270 nan 0.000 0.434 135 T N 1.225 115.840 114.554 0.102 0.000 2.665 135 T HA -0.153 4.195 4.350 -0.002 0.000 0.268 135 T C 1.799 176.554 174.700 0.091 0.000 1.035 135 T CA 1.781 63.925 62.100 0.074 0.000 1.151 135 T CB -0.158 68.743 68.868 0.054 0.000 0.862 135 T HN 0.223 nan 8.240 nan 0.000 0.438 136 I N 1.067 121.719 120.570 0.137 0.000 2.179 136 I HA -0.191 3.978 4.170 -0.002 0.000 0.242 136 I C 2.881 179.131 176.117 0.221 0.000 1.088 136 I CA 1.145 62.544 61.300 0.165 0.000 1.357 136 I CB -0.481 37.623 38.000 0.173 0.000 1.051 136 I HN 0.195 nan 8.210 nan 0.000 0.409 137 A N 0.401 123.394 122.820 0.288 0.000 1.908 137 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 137 A C 2.434 180.072 177.584 0.089 0.000 1.181 137 A CA 1.871 53.990 52.037 0.136 0.000 0.627 137 A CB -0.996 17.985 19.000 -0.031 0.000 0.818 137 A HN 0.244 nan 8.150 nan 0.000 0.445 138 V N -0.045 119.897 119.914 0.048 0.000 2.295 138 V HA -0.260 3.859 4.120 -0.002 0.000 0.246 138 V C 2.531 178.595 176.094 -0.050 0.000 1.049 138 V CA 2.248 64.537 62.300 -0.018 0.000 1.024 138 V CB -0.701 31.116 31.823 -0.010 0.000 0.648 138 V HN 0.715 nan 8.190 nan 0.000 0.447 139 E N -0.067 120.125 120.200 -0.014 0.000 2.077 139 E HA -0.219 4.130 4.350 -0.002 0.000 0.193 139 E C 2.179 178.734 176.600 -0.075 0.000 0.989 139 E CA 1.668 58.048 56.400 -0.035 0.000 0.800 139 E CB -0.109 29.590 29.700 -0.001 0.000 0.746 139 E HN 0.628 nan 8.360 nan 0.000 0.452 140 I N 0.482 121.026 120.570 -0.043 0.000 2.163 140 I HA -0.271 3.898 4.170 -0.002 0.000 0.240 140 I C 2.413 178.309 176.117 -0.368 0.000 1.081 140 I CA 0.882 62.139 61.300 -0.072 0.000 1.353 140 I CB -0.228 37.802 38.000 0.050 0.000 1.054 140 I HN 0.119 nan 8.210 nan 0.000 0.407 141 I N 0.683 121.047 120.570 -0.343 0.000 2.226 141 I HA -0.273 3.896 4.170 -0.002 0.000 0.245 141 I C 2.436 178.078 176.117 -0.792 0.000 1.100 141 I CA 1.486 62.318 61.300 -0.779 0.000 1.374 141 I CB -0.379 37.353 38.000 -0.447 0.000 1.057 141 I HN 0.221 nan 8.210 nan 0.000 0.413 142 E N 0.564 120.512 120.200 -0.419 0.000 2.209 142 E HA -0.190 4.159 4.350 -0.002 0.000 0.196 142 E C 2.291 178.740 176.600 -0.251 0.000 0.993 142 E CA 1.031 57.266 56.400 -0.275 0.000 0.819 142 E CB -0.316 29.290 29.700 -0.158 0.000 0.745 142 E HN 0.628 nan 8.360 nan 0.000 0.477 143 G N 0.686 109.303 108.800 -0.305 0.000 2.470 143 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.220 143 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.220 143 G C 1.071 175.936 174.900 -0.058 0.000 1.121 143 G CA 1.004 46.007 45.100 -0.162 0.000 0.766 143 G HN 0.390 nan 8.290 nan 0.000 0.553 144 F N -2.557 117.406 119.950 0.021 0.000 2.915 144 F HA 0.674 5.199 4.527 -0.002 0.000 0.347 144 F C 1.855 177.748 175.800 0.154 0.000 1.104 144 F CA -0.591 57.442 58.000 0.054 0.000 1.126 144 F CB -0.225 38.830 39.000 0.091 0.000 1.145 144 F HN 0.048 nan 8.300 nan 0.000 0.541 145 A N 1.001 123.914 122.820 0.155 0.000 1.933 145 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 145 A C 1.708 179.507 177.584 0.359 0.000 1.175 145 A CA 2.131 54.282 52.037 0.189 0.000 0.628 145 A CB -0.789 18.112 19.000 -0.165 0.000 0.814 145 A HN 0.379 nan 8.150 nan 0.000 0.444 146 D N -1.098 119.415 120.400 0.188 0.000 2.347 146 D HA -0.058 4.580 4.640 -0.002 0.000 0.215 146 D C 1.918 178.283 176.300 0.108 0.000 0.976 146 D CA 0.475 54.560 54.000 0.142 0.000 0.884 146 D CB -0.239 40.598 40.800 0.062 0.000 0.915 146 D HN 0.486 nan 8.370 nan 0.000 0.526 147 R N 0.372 120.929 120.500 0.096 0.000 2.153 147 R HA -0.037 4.302 4.340 -0.002 0.000 0.218 147 R C 1.249 177.382 176.300 -0.278 0.000 1.072 147 R CA 1.124 57.174 56.100 -0.083 0.000 0.990 147 R CB 0.082 30.287 30.300 -0.158 0.000 0.889 147 R HN 0.211 nan 8.270 nan 0.000 0.452 148 G N 0.823 109.250 108.800 -0.621 0.000 2.159 148 G HA2 -0.263 3.695 3.960 -0.002 0.000 0.256 148 G HA3 -0.263 3.695 3.960 -0.002 0.000 0.256 148 G C -0.142 173.819 174.900 -1.565 0.000 0.977 148 G CA 0.691 44.966 45.100 -1.374 0.000 0.652 148 G HN 0.713 nan 8.290 nan 0.000 0.531 149 H N -2.057 116.155 119.070 -1.430 0.000 3.024 149 H HA 0.635 5.189 4.556 -0.003 0.000 0.324 149 H C -0.306 174.816 175.328 -0.344 0.000 1.347 149 H CA -0.329 55.215 56.048 -0.840 0.000 1.182 149 H CB 1.293 30.817 29.762 -0.396 0.000 1.889 149 H HN 1.278 nan 8.280 nan 0.000 0.528 150 C N 0.782 120.051 119.300 -0.053 0.000 3.307 150 C HA 0.488 4.946 4.460 -0.002 0.000 0.333 150 C C -0.724 174.289 174.990 0.038 0.000 1.291 150 C CA -0.855 58.091 59.018 -0.118 0.000 1.273 150 C CB 1.912 29.323 27.740 -0.547 0.000 1.580 150 C HN 0.958 nan 8.230 nan 0.000 0.481 151 E N 1.145 121.357 120.200 0.020 0.000 2.001 151 E HA 0.196 4.545 4.350 -0.002 0.000 0.279 151 E C 0.324 176.966 176.600 0.071 0.000 1.045 151 E CA -0.428 56.010 56.400 0.063 0.000 0.833 151 E CB 0.457 30.184 29.700 0.045 0.000 1.077 151 E HN 0.726 nan 8.360 nan 0.000 0.397 152 F N 4.624 124.559 119.950 -0.025 0.000 2.154 152 F HA -0.135 4.391 4.527 -0.000 0.000 0.301 152 F C 1.692 177.527 175.800 0.059 0.000 1.087 152 F CA 2.207 60.201 58.000 -0.010 0.000 1.274 152 F CB -0.109 38.830 39.000 -0.103 0.000 1.009 152 F HN 0.549 nan 8.300 nan 0.000 0.485 153 G N -0.409 108.404 108.800 0.022 0.000 2.552 153 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.216 153 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.216 153 G C 1.733 176.586 174.900 -0.078 0.000 1.240 153 G CA 1.395 46.462 45.100 -0.054 0.000 0.796 153 G HN 0.497 nan 8.290 nan 0.000 0.568 154 S N 0.178 115.862 115.700 -0.027 0.000 2.453 154 S HA 0.043 4.511 4.470 -0.002 0.000 0.231 154 S C 1.835 176.439 174.600 0.006 0.000 1.005 154 S CA 1.487 59.680 58.200 -0.011 0.000 0.949 154 S CB -0.068 63.136 63.200 0.007 0.000 0.774 154 S HN 0.586 nan 8.310 nan 0.000 0.510 155 E N -1.057 119.154 120.200 0.019 0.000 2.452 155 E HA 0.271 4.620 4.350 -0.002 0.000 0.197 155 E C 0.937 177.688 176.600 0.252 0.000 1.022 155 E CA 0.218 56.693 56.400 0.125 0.000 0.890 155 E CB 0.158 29.923 29.700 0.109 0.000 0.918 155 E HN 0.655 nan 8.360 nan 0.000 0.496 156 F N -0.185 119.688 119.950 -0.127 0.000 2.083 156 F HA -0.026 4.500 4.527 -0.001 0.000 0.259 156 F C 2.246 177.881 175.800 -0.275 0.000 0.953 156 F CA 0.774 58.677 58.000 -0.163 0.000 1.156 156 F CB -0.101 38.801 39.000 -0.163 0.000 1.297 156 F HN -0.086 nan 8.300 nan 0.000 0.733 157 S N -0.586 114.866 115.700 -0.413 0.000 2.399 157 S HA -0.180 4.289 4.470 -0.002 0.000 0.231 157 S C 1.761 176.317 174.600 -0.073 0.000 1.022 157 S CA 1.662 59.759 58.200 -0.172 0.000 0.983 157 S CB -1.419 61.705 63.200 -0.128 0.000 0.803 157 S HN 0.554 nan 8.310 nan 0.000 0.480 158 T N -1.400 113.098 114.554 -0.095 0.000 3.129 158 T HA 0.301 4.650 4.350 -0.002 0.000 0.251 158 T C 1.432 176.094 174.700 -0.062 0.000 1.117 158 T CA 0.426 62.496 62.100 -0.049 0.000 1.034 158 T CB 0.001 68.849 68.868 -0.033 0.000 0.968 158 T HN 0.267 nan 8.240 nan 0.000 0.526 159 V N -0.058 119.789 119.914 -0.112 0.000 2.627 159 V HA 0.197 4.316 4.120 -0.002 0.000 0.239 159 V C 1.915 177.931 176.094 -0.130 0.000 1.077 159 V CA 0.466 62.704 62.300 -0.103 0.000 1.103 159 V CB -0.728 31.044 31.823 -0.086 0.000 0.802 159 V HN 0.440 nan 8.190 nan 0.000 0.482 160 F N 3.392 123.065 119.950 -0.461 0.000 2.046 160 F HA -0.080 4.446 4.527 -0.002 0.000 0.297 160 F C -0.401 175.305 175.800 -0.157 0.000 1.123 160 F CA 2.167 59.898 58.000 -0.449 0.000 1.199 160 F CB -1.676 36.733 39.000 -0.985 0.000 0.972 160 F HN 0.218 nan 8.300 nan 0.000 0.474 161 P HA -0.089 nan 4.420 nan 0.000 0.221 161 P C 2.038 179.241 177.300 -0.161 0.000 1.150 161 P CA 1.391 64.262 63.100 -0.381 0.000 0.800 161 P CB -0.031 31.604 31.700 -0.108 0.000 0.787 162 V N -0.005 119.853 119.914 -0.093 0.000 2.323 162 V HA -0.165 3.953 4.120 -0.002 0.000 0.244 162 V C 2.536 178.629 176.094 -0.001 0.000 1.041 162 V CA 1.612 63.910 62.300 -0.005 0.000 1.025 162 V CB -0.891 30.928 31.823 -0.006 0.000 0.656 162 V HN 0.032 nan 8.190 nan 0.000 0.451 163 R N -0.348 120.119 120.500 -0.055 0.000 2.081 163 R HA -0.134 4.205 4.340 -0.002 0.000 0.235 163 R C 2.271 178.536 176.300 -0.059 0.000 1.131 163 R CA 1.486 57.560 56.100 -0.043 0.000 0.960 163 R CB -0.592 29.687 30.300 -0.035 0.000 0.856 163 R HN 0.388 nan 8.270 nan 0.000 0.436 164 V N 0.552 120.385 119.914 -0.135 0.000 2.255 164 V HA -0.267 3.852 4.120 -0.002 0.000 0.247 164 V C 1.951 178.018 176.094 -0.045 0.000 1.051 164 V CA 1.895 64.116 62.300 -0.132 0.000 1.018 164 V CB -0.517 31.127 31.823 -0.297 0.000 0.641 164 V HN 0.205 nan 8.190 nan 0.000 0.445 165 F N -0.028 119.855 119.950 -0.112 0.000 2.113 165 F HA -0.091 4.434 4.527 -0.002 0.000 0.297 165 F C 2.093 177.881 175.800 -0.020 0.000 1.103 165 F CA 1.486 59.454 58.000 -0.054 0.000 1.248 165 F CB -0.227 38.750 39.000 -0.038 0.000 0.999 165 F HN -0.004 nan 8.300 nan 0.000 0.475 166 L N -0.317 120.919 121.223 0.022 0.000 2.079 166 L HA -0.239 4.100 4.340 -0.002 0.000 0.210 166 L C 2.740 179.549 176.870 -0.102 0.000 1.081 166 L CA 1.155 55.981 54.840 -0.024 0.000 0.752 166 L CB -1.243 40.846 42.059 0.050 0.000 0.896 166 L HN 0.224 nan 8.230 nan 0.000 0.433 167 A N 0.164 122.927 122.820 -0.094 0.000 1.877 167 A HA -0.237 4.082 4.320 -0.002 0.000 0.216 167 A C 2.211 179.711 177.584 -0.141 0.000 1.186 167 A CA 1.815 53.798 52.037 -0.090 0.000 0.620 167 A CB -0.738 18.226 19.000 -0.059 0.000 0.822 167 A HN 0.330 nan 8.150 nan 0.000 0.443 168 L N -0.250 120.843 121.223 -0.218 0.000 2.046 168 L HA -0.018 4.320 4.340 -0.002 0.000 0.208 168 L C 2.391 179.075 176.870 -0.311 0.000 1.077 168 L CA 2.298 56.984 54.840 -0.256 0.000 0.747 168 L CB -0.664 41.208 42.059 -0.312 0.000 0.896 168 L HN 0.306 nan 8.230 nan 0.000 0.432 169 A N -0.928 121.622 122.820 -0.449 0.000 2.238 169 A HA 0.372 4.690 4.320 -0.002 0.000 0.208 169 A C 1.599 179.093 177.584 -0.150 0.000 1.177 169 A CA 0.556 52.388 52.037 -0.341 0.000 0.804 169 A CB -1.128 17.617 19.000 -0.425 0.000 0.823 169 A HN 0.910 nan 8.150 nan 0.000 0.482 170 G N -0.805 107.922 108.800 -0.122 0.000 2.246 170 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.273 170 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.273 170 G C -0.154 174.728 174.900 -0.030 0.000 1.055 170 G CA 0.615 45.676 45.100 -0.065 0.000 0.851 170 G HN 0.500 nan 8.290 nan 0.000 0.500 171 L N -0.244 120.972 121.223 -0.013 0.000 2.333 171 L HA 0.614 4.952 4.340 -0.002 0.000 0.269 171 L C -2.007 174.890 176.870 0.045 0.000 1.010 171 L CA -2.691 52.177 54.840 0.046 0.000 0.818 171 L CB 2.163 44.298 42.059 0.126 0.000 1.306 171 L HN -0.093 nan 8.230 nan 0.000 0.430 172 P HA 0.026 nan 4.420 nan 0.000 0.276 172 P C 0.593 177.925 177.300 0.053 0.000 1.230 172 P CA -0.220 62.909 63.100 0.048 0.000 0.776 172 P CB 1.337 33.067 31.700 0.051 0.000 0.888 173 V N 3.032 122.965 119.914 0.031 0.000 2.568 173 V HA -0.223 3.895 4.120 -0.002 0.000 0.253 173 V C 1.828 177.938 176.094 0.026 0.000 1.072 173 V CA 1.962 64.277 62.300 0.026 0.000 1.084 173 V CB -0.887 30.944 31.823 0.014 0.000 0.676 173 V HN 0.571 nan 8.190 nan 0.000 0.469 174 E N -0.621 119.596 120.200 0.028 0.000 2.401 174 E HA -0.199 4.149 4.350 -0.002 0.000 0.199 174 E C 1.279 177.895 176.600 0.026 0.000 1.023 174 E CA 1.048 57.463 56.400 0.024 0.000 0.859 174 E CB -0.562 29.152 29.700 0.024 0.000 0.780 174 E HN 0.641 nan 8.360 nan 0.000 0.523 175 D N 1.029 121.455 120.400 0.043 0.000 2.349 175 D HA 0.117 4.755 4.640 -0.002 0.000 0.224 175 D C 1.653 177.929 176.300 -0.040 0.000 1.029 175 D CA 0.723 54.737 54.000 0.023 0.000 0.879 175 D CB 0.140 41.001 40.800 0.102 0.000 0.906 175 D HN 0.231 nan 8.370 nan 0.000 0.528 176 A N 0.594 123.406 122.820 -0.013 0.000 1.892 176 A HA -0.217 4.102 4.320 -0.002 0.000 0.218 176 A C 2.352 179.912 177.584 -0.040 0.000 1.188 176 A CA 1.980 54.007 52.037 -0.018 0.000 0.631 176 A CB -0.905 18.094 19.000 -0.002 0.000 0.822 176 A HN 0.188 nan 8.150 nan 0.000 0.447 177 T N 0.483 115.015 114.554 -0.037 0.000 2.652 177 T HA -0.181 4.168 4.350 -0.002 0.000 0.267 177 T C 1.961 176.616 174.700 -0.075 0.000 1.039 177 T CA 1.937 64.011 62.100 -0.043 0.000 1.153 177 T CB -0.315 68.534 68.868 -0.031 0.000 0.863 177 T HN 0.824 nan 8.240 nan 0.000 0.428 178 K N 1.291 121.632 120.400 -0.097 0.000 2.148 178 K HA 0.019 4.337 4.320 -0.002 0.000 0.204 178 K C 2.240 178.697 176.600 -0.239 0.000 1.050 178 K CA 1.176 57.376 56.287 -0.145 0.000 0.942 178 K CB -0.547 31.875 32.500 -0.130 0.000 0.724 178 K HN 0.306 nan 8.250 nan 0.000 0.446 179 L N 1.215 122.283 121.223 -0.258 0.000 2.109 179 L HA -0.012 4.326 4.340 -0.002 0.000 0.207 179 L C 2.778 179.571 176.870 -0.128 0.000 1.086 179 L CA 1.167 55.831 54.840 -0.293 0.000 0.760 179 L CB -0.813 41.112 42.059 -0.223 0.000 0.910 179 L HN 0.469 nan 8.230 nan 0.000 0.437 180 G N 0.440 109.200 108.800 -0.067 0.000 2.440 180 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.218 180 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.218 180 G C 1.621 176.505 174.900 -0.027 0.000 1.154 180 G CA 0.587 45.677 45.100 -0.016 0.000 0.767 180 G HN 0.223 nan 8.290 nan 0.000 0.552 181 L N -0.105 121.075 121.223 -0.072 0.000 2.083 181 L HA -0.031 4.308 4.340 -0.002 0.000 0.209 181 L C 2.901 179.721 176.870 -0.083 0.000 1.083 181 L CA 0.582 55.379 54.840 -0.072 0.000 0.752 181 L CB -0.436 41.573 42.059 -0.083 0.000 0.899 181 L HN 0.198 nan 8.230 nan 0.000 0.433 182 L N -0.416 120.696 121.223 -0.186 0.000 2.056 182 L HA -0.153 4.185 4.340 -0.002 0.000 0.207 182 L C 2.928 179.850 176.870 0.087 0.000 1.078 182 L CA 1.049 55.740 54.840 -0.248 0.000 0.749 182 L CB -0.795 40.720 42.059 -0.906 0.000 0.901 182 L HN 0.217 nan 8.230 nan 0.000 0.433 183 A N 0.532 123.468 122.820 0.193 0.000 1.908 183 A HA -0.224 4.095 4.320 -0.002 0.000 0.218 183 A C 2.069 179.783 177.584 0.217 0.000 1.181 183 A CA 1.987 54.222 52.037 0.331 0.000 0.627 183 A CB -0.610 18.547 19.000 0.261 0.000 0.818 183 A HN 0.436 nan 8.150 nan 0.000 0.445 184 N N 0.211 118.985 118.700 0.122 0.000 2.104 184 N HA -0.130 4.608 4.740 -0.002 0.000 0.190 184 N C 1.443 177.023 175.510 0.117 0.000 1.024 184 N CA 1.446 54.551 53.050 0.092 0.000 0.853 184 N CB -0.337 38.164 38.487 0.023 0.000 1.008 184 N HN 0.475 nan 8.380 nan 0.000 0.424 185 E N -0.096 120.165 120.200 0.102 0.000 2.358 185 E HA 0.034 4.382 4.350 -0.002 0.000 0.195 185 E C 1.736 178.438 176.600 0.171 0.000 1.010 185 E CA 0.219 56.676 56.400 0.097 0.000 0.856 185 E CB 0.023 29.745 29.700 0.038 0.000 0.795 185 E HN 0.350 nan 8.360 nan 0.000 0.504 186 M N 0.087 119.833 119.600 0.244 0.000 2.098 186 M HA -0.076 4.403 4.480 -0.002 0.000 0.262 186 M C 2.353 179.008 176.300 0.592 0.000 1.072 186 M CA 1.795 57.287 55.300 0.319 0.000 1.133 186 M CB -1.258 31.529 32.600 0.312 0.000 1.344 186 M HN 0.111 nan 8.290 nan 0.000 0.414 187 T N -2.270 112.586 114.554 0.502 0.000 3.044 187 T HA 0.124 4.472 4.350 -0.002 0.000 0.255 187 T C 1.102 176.026 174.700 0.375 0.000 1.073 187 T CA 0.156 62.544 62.100 0.480 0.000 1.125 187 T CB 0.049 69.096 68.868 0.298 0.000 0.908 187 T HN 0.276 nan 8.240 nan 0.000 0.480 188 R N 2.069 122.761 120.500 0.320 0.000 2.835 188 R HA 0.347 4.686 4.340 -0.002 0.000 0.290 188 R C -2.996 173.392 176.300 0.148 0.000 1.410 188 R CA -1.807 54.475 56.100 0.304 0.000 1.590 188 R CB 0.989 31.404 30.300 0.192 0.000 1.288 188 R HN 0.325 nan 8.270 nan 0.000 0.637 189 P HA 0.017 nan 4.420 nan 0.000 0.268 189 P C -0.156 177.075 177.300 -0.116 0.000 1.205 189 P CA 0.192 63.294 63.100 0.002 0.000 0.771 189 P CB 1.033 32.746 31.700 0.022 0.000 0.858 190 S N 1.042 116.701 115.700 -0.067 0.000 2.579 190 S HA 0.544 5.013 4.470 -0.002 0.000 0.275 190 S C 0.659 175.199 174.600 -0.100 0.000 1.345 190 S CA 0.984 59.138 58.200 -0.077 0.000 1.031 190 S CB -0.003 63.169 63.200 -0.046 0.000 0.892 190 S HN 0.930 nan 8.310 nan 0.000 0.529 191 G N 1.754 110.495 108.800 -0.098 0.000 2.335 191 G HA2 -0.002 3.957 3.960 -0.002 0.000 0.592 191 G HA3 -0.002 3.957 3.960 -0.002 0.000 0.592 191 G C -0.691 174.148 174.900 -0.102 0.000 1.442 191 G CA -0.878 44.167 45.100 -0.092 0.000 0.976 191 G HN 0.546 nan 8.290 nan 0.000 0.652 192 N N -0.484 118.171 118.700 -0.075 0.000 2.200 192 N HA 0.234 4.972 4.740 -0.002 0.000 0.224 192 N C -0.042 175.432 175.510 -0.061 0.000 1.179 192 N CA 0.389 53.403 53.050 -0.059 0.000 0.877 192 N CB 1.480 39.950 38.487 -0.028 0.000 1.072 192 N HN 0.520 nan 8.380 nan 0.000 0.519 193 T N 0.190 114.672 114.554 -0.120 0.000 2.903 193 T HA 0.308 4.657 4.350 -0.002 0.000 0.299 193 T C -1.910 172.637 174.700 -0.255 0.000 1.093 193 T CA -1.409 60.544 62.100 -0.246 0.000 1.002 193 T CB 2.767 71.549 68.868 -0.144 0.000 1.127 193 T HN -0.252 nan 8.240 nan 0.000 0.488 194 P HA -0.050 nan 4.420 nan 0.000 0.215 194 P C 1.105 178.350 177.300 -0.090 0.000 1.153 194 P CA 1.197 64.201 63.100 -0.159 0.000 0.853 194 P CB 0.307 31.928 31.700 -0.131 0.000 0.788 195 E N -0.485 119.657 120.200 -0.095 0.000 2.106 195 E HA -0.180 4.168 4.350 -0.002 0.000 0.192 195 E C 1.971 178.545 176.600 -0.045 0.000 0.984 195 E CA 0.910 57.283 56.400 -0.045 0.000 0.806 195 E CB -0.280 29.405 29.700 -0.025 0.000 0.750 195 E HN 0.420 nan 8.360 nan 0.000 0.458 196 E N 0.693 120.856 120.200 -0.063 0.000 2.051 196 E HA -0.206 4.142 4.350 -0.002 0.000 0.192 196 E C 2.183 178.747 176.600 -0.060 0.000 0.991 196 E CA 0.892 57.258 56.400 -0.056 0.000 0.799 196 E CB -0.014 29.650 29.700 -0.060 0.000 0.748 196 E HN 0.287 nan 8.360 nan 0.000 0.449 197 Q N -0.105 119.647 119.800 -0.081 0.000 2.124 197 Q HA -0.116 4.222 4.340 -0.002 0.000 0.202 197 Q C 2.374 178.361 176.000 -0.023 0.000 0.977 197 Q CA 1.201 56.955 55.803 -0.081 0.000 0.850 197 Q CB -0.243 28.410 28.738 -0.142 0.000 0.901 197 Q HN 0.337 nan 8.270 nan 0.000 0.429 198 G N 1.062 109.855 108.800 -0.011 0.000 2.440 198 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.218 198 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.218 198 G C 1.445 176.336 174.900 -0.015 0.000 1.154 198 G CA 0.566 45.668 45.100 0.003 0.000 0.767 198 G HN 0.200 nan 8.290 nan 0.000 0.552 199 R N 0.132 120.618 120.500 -0.023 0.000 2.092 199 R HA -0.003 4.336 4.340 -0.002 0.000 0.231 199 R C 3.020 179.301 176.300 -0.031 0.000 1.119 199 R CA 1.270 57.354 56.100 -0.028 0.000 0.970 199 R CB -0.180 30.104 30.300 -0.026 0.000 0.864 199 R HN 0.343 nan 8.270 nan 0.000 0.440 200 S N 1.177 116.860 115.700 -0.028 0.000 2.368 200 S HA -0.102 4.367 4.470 -0.002 0.000 0.224 200 S C 1.727 176.319 174.600 -0.013 0.000 1.029 200 S CA 0.778 58.964 58.200 -0.023 0.000 0.988 200 S CB -0.234 62.951 63.200 -0.024 0.000 0.838 200 S HN 0.227 nan 8.310 nan 0.000 0.462 201 L N 2.373 123.592 121.223 -0.005 0.000 2.017 201 L HA -0.060 4.278 4.340 -0.002 0.000 0.208 201 L C 2.277 179.109 176.870 -0.063 0.000 1.073 201 L CA 2.036 56.867 54.840 -0.014 0.000 0.745 201 L CB -1.421 40.623 42.059 -0.024 0.000 0.894 201 L HN 0.406 nan 8.230 nan 0.000 0.432 202 E N -0.272 119.885 120.200 -0.071 0.000 2.070 202 E HA -0.247 4.101 4.350 -0.002 0.000 0.197 202 E C 2.040 178.580 176.600 -0.099 0.000 1.004 202 E CA 1.633 57.973 56.400 -0.100 0.000 0.805 202 E CB -0.025 29.630 29.700 -0.076 0.000 0.744 202 E HN 0.585 nan 8.360 nan 0.000 0.451 203 A N 1.065 123.846 122.820 -0.066 0.000 1.898 203 A HA -0.056 4.263 4.320 -0.002 0.000 0.216 203 A C 2.389 179.937 177.584 -0.061 0.000 1.181 203 A CA 1.773 53.774 52.037 -0.059 0.000 0.620 203 A CB -0.721 18.252 19.000 -0.044 0.000 0.819 203 A HN 0.438 nan 8.150 nan 0.000 0.442 204 A N 0.055 122.851 122.820 -0.040 0.000 1.877 204 A HA -0.221 4.098 4.320 -0.002 0.000 0.216 204 A C 1.966 179.577 177.584 0.045 0.000 1.186 204 A CA 1.885 53.915 52.037 -0.012 0.000 0.620 204 A CB -0.860 18.175 19.000 0.059 0.000 0.822 204 A HN 0.686 nan 8.150 nan 0.000 0.443 205 N N -0.625 118.065 118.700 -0.017 0.000 2.104 205 N HA -0.215 4.524 4.740 -0.002 0.000 0.190 205 N C 1.893 177.260 175.510 -0.238 0.000 1.024 205 N CA 1.707 54.680 53.050 -0.128 0.000 0.853 205 N CB -0.163 38.114 38.487 -0.351 0.000 1.008 205 N HN 0.570 nan 8.380 nan 0.000 0.424 206 K N 0.033 120.303 120.400 -0.217 0.000 2.026 206 K HA -0.112 4.206 4.320 -0.002 0.000 0.208 206 K C 2.044 178.654 176.600 0.018 0.000 1.048 206 K CA 1.547 57.751 56.287 -0.139 0.000 0.929 206 K CB -0.437 32.004 32.500 -0.097 0.000 0.713 206 K HN 0.251 nan 8.250 nan 0.000 0.439 207 G N 0.556 109.344 108.800 -0.020 0.000 2.476 207 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.218 207 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.218 207 G C 1.322 176.222 174.900 0.001 0.000 1.164 207 G CA 1.018 46.089 45.100 -0.049 0.000 0.768 207 G HN 0.322 nan 8.290 nan 0.000 0.560 208 F N -0.251 119.755 119.950 0.093 0.000 2.095 208 F HA 0.008 4.534 4.527 -0.002 0.000 0.298 208 F C 2.506 178.514 175.800 0.348 0.000 1.104 208 F CA 0.870 58.985 58.000 0.190 0.000 1.232 208 F CB -0.264 38.828 39.000 0.154 0.000 0.987 208 F HN 0.026 nan 8.300 nan 0.000 0.475 209 F N 0.805 120.876 119.950 0.201 0.000 2.095 209 F HA -0.194 4.332 4.527 -0.002 0.000 0.298 209 F C 2.356 178.211 175.800 0.093 0.000 1.104 209 F CA 1.317 59.383 58.000 0.111 0.000 1.232 209 F CB -1.282 37.748 39.000 0.049 0.000 0.987 209 F HN 0.059 nan 8.300 nan 0.000 0.475 210 E N -1.394 118.973 120.200 0.277 0.000 2.085 210 E HA -0.293 4.055 4.350 -0.002 0.000 0.194 210 E C 2.070 178.761 176.600 0.151 0.000 0.994 210 E CA 1.655 58.150 56.400 0.159 0.000 0.801 210 E CB -0.519 29.249 29.700 0.112 0.000 0.743 210 E HN 0.517 nan 8.360 nan 0.000 0.453 211 Y N 0.421 120.763 120.300 0.071 0.000 2.263 211 Y HA -0.150 4.399 4.550 -0.002 0.000 0.292 211 Y C 2.091 178.027 175.900 0.061 0.000 1.130 211 Y CA 0.925 59.054 58.100 0.049 0.000 1.179 211 Y CB 0.028 38.509 38.460 0.034 0.000 0.998 211 Y HN -0.176 nan 8.280 nan 0.000 0.532 212 V N 0.132 120.145 119.914 0.166 0.000 2.649 212 V HA -0.147 3.972 4.120 -0.002 0.000 0.248 212 V C 2.532 178.593 176.094 -0.056 0.000 1.054 212 V CA 1.198 63.537 62.300 0.064 0.000 1.073 212 V CB -0.936 30.988 31.823 0.169 0.000 0.699 212 V HN 0.568 nan 8.190 nan 0.000 0.463 213 A N 1.019 123.812 122.820 -0.045 0.000 1.884 213 A HA -0.187 4.132 4.320 -0.002 0.000 0.219 213 A C 0.435 177.973 177.584 -0.077 0.000 1.197 213 A CA 2.449 54.447 52.037 -0.066 0.000 0.637 213 A CB -2.005 16.975 19.000 -0.033 0.000 0.827 213 A HN 0.546 nan 8.150 nan 0.000 0.450 214 P HA -0.053 nan 4.420 nan 0.000 0.221 214 P C 1.232 178.470 177.300 -0.104 0.000 1.150 214 P CA 0.798 63.840 63.100 -0.096 0.000 0.800 214 P CB -0.109 31.520 31.700 -0.117 0.000 0.787 215 I N -1.406 119.086 120.570 -0.131 0.000 2.233 215 I HA -0.187 3.981 4.170 -0.002 0.000 0.243 215 I C 2.232 178.306 176.117 -0.071 0.000 1.093 215 I CA 1.197 62.431 61.300 -0.109 0.000 1.380 215 I CB -0.586 37.340 38.000 -0.123 0.000 1.067 215 I HN -0.163 nan 8.210 nan 0.000 0.413 216 I N 1.021 121.550 120.570 -0.067 0.000 2.127 216 I HA -0.329 3.840 4.170 -0.002 0.000 0.241 216 I C 2.814 178.901 176.117 -0.050 0.000 1.075 216 I CA 1.659 62.926 61.300 -0.055 0.000 1.334 216 I CB -0.527 37.433 38.000 -0.068 0.000 1.040 216 I HN 0.190 nan 8.210 nan 0.000 0.405 217 A N 0.504 123.292 122.820 -0.053 0.000 1.908 217 A HA -0.213 4.106 4.320 -0.002 0.000 0.218 217 A C 2.470 180.030 177.584 -0.040 0.000 1.181 217 A CA 2.099 54.109 52.037 -0.044 0.000 0.627 217 A CB -0.956 18.018 19.000 -0.043 0.000 0.818 217 A HN 0.465 nan 8.150 nan 0.000 0.445 218 A N -0.925 121.867 122.820 -0.047 0.000 2.014 218 A HA -0.021 4.298 4.320 -0.002 0.000 0.218 218 A C 2.156 179.718 177.584 -0.037 0.000 1.163 218 A CA 1.252 53.264 52.037 -0.042 0.000 0.652 218 A CB -0.226 18.744 19.000 -0.049 0.000 0.808 218 A HN 0.547 nan 8.150 nan 0.000 0.449 219 R N -0.807 119.670 120.500 -0.038 0.000 2.335 219 R HA 0.142 4.481 4.340 -0.002 0.000 0.210 219 R C -0.148 176.136 176.300 -0.028 0.000 0.892 219 R CA -0.402 55.678 56.100 -0.032 0.000 1.048 219 R CB 0.239 30.520 30.300 -0.033 0.000 1.067 219 R HN 0.321 nan 8.270 nan 0.000 0.524 220 R N 1.189 121.672 120.500 -0.028 0.000 2.494 220 R HA -0.030 4.309 4.340 -0.002 0.000 0.291 220 R C 0.841 177.128 176.300 -0.022 0.000 0.953 220 R CA 1.089 57.175 56.100 -0.024 0.000 1.098 220 R CB -0.174 30.112 30.300 -0.023 0.000 0.911 220 R HN 0.422 nan 8.270 nan 0.000 0.407 221 G N 2.372 111.160 108.800 -0.021 0.000 2.200 221 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.267 221 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.267 221 G C 0.659 175.547 174.900 -0.020 0.000 0.993 221 G CA 0.435 45.523 45.100 -0.020 0.000 0.701 221 G HN 0.917 nan 8.290 nan 0.000 0.524 222 G N -0.696 108.091 108.800 -0.022 0.000 2.667 222 G HA2 0.527 4.486 3.960 -0.002 0.000 0.250 222 G HA3 0.527 4.486 3.960 -0.002 0.000 0.250 222 G C 1.008 175.895 174.900 -0.021 0.000 1.212 222 G CA 0.832 45.919 45.100 -0.022 0.000 0.874 222 G HN 1.384 nan 8.290 nan 0.000 0.561 223 S N -0.687 115.000 115.700 -0.021 0.000 2.650 223 S HA 0.359 4.828 4.470 -0.002 0.000 0.240 223 S C 1.069 175.656 174.600 -0.021 0.000 1.007 223 S CA 0.158 58.346 58.200 -0.020 0.000 0.984 223 S CB 0.227 63.416 63.200 -0.018 0.000 0.910 223 S HN 0.945 nan 8.310 nan 0.000 0.509 224 G N 1.685 110.471 108.800 -0.024 0.000 2.554 224 G HA2 0.347 4.306 3.960 -0.002 0.000 0.238 224 G HA3 0.347 4.306 3.960 -0.002 0.000 0.238 224 G C 0.719 175.603 174.900 -0.027 0.000 1.259 224 G CA 0.282 45.366 45.100 -0.026 0.000 0.843 224 G HN 0.491 nan 8.290 nan 0.000 0.582 225 T N -1.607 112.930 114.554 -0.029 0.000 3.105 225 T HA 0.141 4.490 4.350 -0.002 0.000 0.253 225 T C 0.652 175.329 174.700 -0.037 0.000 1.047 225 T CA 0.177 62.259 62.100 -0.029 0.000 0.944 225 T CB -0.234 68.619 68.868 -0.026 0.000 1.016 225 T HN 0.677 nan 8.240 nan 0.000 0.544 226 D N 1.150 121.523 120.400 -0.044 0.000 2.363 226 D HA -0.005 4.634 4.640 -0.002 0.000 0.240 226 D C 1.307 177.570 176.300 -0.063 0.000 1.236 226 D CA -0.626 53.337 54.000 -0.062 0.000 0.927 226 D CB 1.356 42.117 40.800 -0.066 0.000 1.150 226 D HN 0.032 nan 8.370 nan 0.000 0.458 227 L N 0.919 122.087 121.223 -0.091 0.000 2.042 227 L HA -0.178 4.161 4.340 -0.002 0.000 0.210 227 L C 2.298 179.145 176.870 -0.039 0.000 1.076 227 L CA 1.504 56.300 54.840 -0.074 0.000 0.749 227 L CB -0.411 41.571 42.059 -0.128 0.000 0.893 227 L HN 0.556 nan 8.230 nan 0.000 0.432 228 I N -1.422 119.122 120.570 -0.043 0.000 2.163 228 I HA -0.297 3.872 4.170 -0.002 0.000 0.240 228 I C 2.229 178.338 176.117 -0.013 0.000 1.081 228 I CA 1.683 62.977 61.300 -0.011 0.000 1.353 228 I CB -0.788 37.209 38.000 -0.004 0.000 1.054 228 I HN 0.250 nan 8.210 nan 0.000 0.407 229 T N 0.694 115.233 114.554 -0.024 0.000 2.699 229 T HA -0.204 4.144 4.350 -0.002 0.000 0.268 229 T C 1.993 176.681 174.700 -0.020 0.000 1.036 229 T CA 1.375 63.461 62.100 -0.023 0.000 1.147 229 T CB -0.328 68.524 68.868 -0.027 0.000 0.862 229 T HN 0.310 nan 8.240 nan 0.000 0.446 230 R N 0.284 120.772 120.500 -0.021 0.000 2.083 230 R HA 0.004 4.343 4.340 -0.002 0.000 0.237 230 R C 2.463 178.755 176.300 -0.013 0.000 1.137 230 R CA 1.391 57.480 56.100 -0.018 0.000 0.951 230 R CB -0.485 29.803 30.300 -0.020 0.000 0.851 230 R HN 0.412 nan 8.270 nan 0.000 0.434 231 I N 0.503 121.071 120.570 -0.004 0.000 2.277 231 I HA -0.210 3.959 4.170 -0.002 0.000 0.243 231 I C 2.475 178.595 176.117 0.005 0.000 1.094 231 I CA 0.633 61.936 61.300 0.005 0.000 1.393 231 I CB -0.208 37.807 38.000 0.025 0.000 1.078 231 I HN 0.173 nan 8.210 nan 0.000 0.417 232 L N 1.117 122.344 121.223 0.007 0.000 2.081 232 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 232 L C 1.561 178.428 176.870 -0.005 0.000 1.080 232 L CA 1.793 56.636 54.840 0.006 0.000 0.754 232 L CB -0.418 41.639 42.059 -0.004 0.000 0.893 232 L HN 0.427 nan 8.230 nan 0.000 0.433 233 N N -0.498 118.193 118.700 -0.014 0.000 2.322 233 N HA 0.037 4.775 4.740 -0.002 0.000 0.194 233 N C -0.004 175.488 175.510 -0.031 0.000 1.126 233 N CA 0.045 53.082 53.050 -0.022 0.000 0.845 233 N CB 0.616 39.090 38.487 -0.022 0.000 0.976 233 N HN 0.091 nan 8.380 nan 0.000 0.475 234 V N 2.137 122.029 119.914 -0.036 0.000 2.508 234 V HA 0.016 4.134 4.120 -0.002 0.000 0.281 234 V C 0.808 176.857 176.094 -0.076 0.000 1.041 234 V CA -0.373 61.894 62.300 -0.055 0.000 1.016 234 V CB 0.763 32.547 31.823 -0.064 0.000 0.984 234 V HN 0.116 nan 8.190 nan 0.000 0.478 235 E N 4.432 124.586 120.200 -0.076 0.000 2.392 235 E HA 0.182 4.531 4.350 -0.002 0.000 0.264 235 E C -0.702 175.814 176.600 -0.141 0.000 1.024 235 E CA -0.205 56.143 56.400 -0.087 0.000 0.903 235 E CB 0.761 30.420 29.700 -0.067 0.000 0.963 235 E HN 0.372 nan 8.360 nan 0.000 0.432 236 I N 3.245 123.718 120.570 -0.162 0.000 2.362 236 I HA 0.055 4.223 4.170 -0.002 0.000 0.289 236 I C -0.364 175.671 176.117 -0.137 0.000 0.994 236 I CA -0.456 60.700 61.300 -0.239 0.000 1.158 236 I CB 1.070 38.846 38.000 -0.374 0.000 1.315 236 I HN 0.539 nan 8.210 nan 0.000 0.451 237 D N 5.487 125.815 120.400 -0.121 0.000 2.740 237 D HA -0.191 4.448 4.640 -0.002 0.000 0.231 237 D C 1.241 177.509 176.300 -0.052 0.000 1.194 237 D CA 1.444 55.401 54.000 -0.072 0.000 0.673 237 D CB -0.965 39.804 40.800 -0.052 0.000 0.995 237 D HN 1.123 nan 8.370 nan 0.000 0.411 238 G N -0.443 108.324 108.800 -0.055 0.000 2.168 238 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.257 238 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.257 238 G C 0.238 175.117 174.900 -0.036 0.000 0.997 238 G CA 0.970 46.045 45.100 -0.041 0.000 0.708 238 G HN 0.574 nan 8.290 nan 0.000 0.520 239 K N -0.409 119.965 120.400 -0.042 0.000 2.532 239 K HA 0.484 4.803 4.320 -0.002 0.000 0.265 239 K C -2.949 173.630 176.600 -0.035 0.000 0.948 239 K CA -2.329 53.940 56.287 -0.031 0.000 0.842 239 K CB 2.610 35.098 32.500 -0.021 0.000 1.392 239 K HN -0.125 nan 8.250 nan 0.000 0.436 240 P HA -0.059 nan 4.420 nan 0.000 0.264 240 P C -0.413 176.884 177.300 -0.006 0.000 1.193 240 P CA 0.059 63.147 63.100 -0.019 0.000 0.763 240 P CB 0.373 32.065 31.700 -0.013 0.000 0.810 241 M N 6.182 125.783 119.600 0.001 0.000 2.286 241 M HA 0.046 4.525 4.480 -0.002 0.000 0.365 241 M C -2.041 174.297 176.300 0.064 0.000 1.443 241 M CA -0.815 54.522 55.300 0.062 0.000 0.951 241 M CB -0.062 32.598 32.600 0.100 0.000 1.961 241 M HN 0.191 nan 8.290 nan 0.000 0.468 242 P HA 0.053 nan 4.420 nan 0.000 0.271 242 P C -0.410 176.895 177.300 0.007 0.000 1.233 242 P CA -0.133 62.991 63.100 0.040 0.000 0.789 242 P CB 0.402 32.130 31.700 0.048 0.000 0.951 243 D N 0.732 121.121 120.400 -0.018 0.000 2.123 243 D HA -0.173 4.465 4.640 -0.002 0.000 0.196 243 D C 1.398 177.642 176.300 -0.094 0.000 0.992 243 D CA 1.579 55.548 54.000 -0.052 0.000 0.833 243 D CB -0.479 40.294 40.800 -0.044 0.000 0.954 243 D HN 0.543 nan 8.370 nan 0.000 0.455 244 D N 0.861 121.219 120.400 -0.070 0.000 2.097 244 D HA -0.178 4.460 4.640 -0.002 0.000 0.195 244 D C 1.871 178.085 176.300 -0.144 0.000 0.989 244 D CA 0.925 54.873 54.000 -0.087 0.000 0.827 244 D CB -0.520 40.265 40.800 -0.026 0.000 0.966 244 D HN 0.075 nan 8.370 nan 0.000 0.456 245 R N 0.712 121.137 120.500 -0.126 0.000 2.075 245 R HA 0.090 4.429 4.340 -0.002 0.000 0.232 245 R C 2.497 178.687 176.300 -0.184 0.000 1.126 245 R CA 1.186 57.158 56.100 -0.213 0.000 0.963 245 R CB -0.852 29.301 30.300 -0.245 0.000 0.858 245 R HN 0.350 nan 8.270 nan 0.000 0.435 246 A N 1.650 124.405 122.820 -0.107 0.000 1.908 246 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 246 A C 2.386 179.849 177.584 -0.201 0.000 1.181 246 A CA 1.280 53.259 52.037 -0.097 0.000 0.627 246 A CB -0.670 18.290 19.000 -0.065 0.000 0.818 246 A HN 0.182 nan 8.150 nan 0.000 0.445 247 L N -0.843 120.168 121.223 -0.354 0.000 2.012 247 L HA -0.165 4.174 4.340 -0.002 0.000 0.210 247 L C 2.843 179.311 176.870 -0.669 0.000 1.073 247 L CA 1.307 55.736 54.840 -0.684 0.000 0.748 247 L CB -0.858 40.468 42.059 -1.221 0.000 0.891 247 L HN 0.500 nan 8.230 nan 0.000 0.431 248 G N -0.385 108.144 108.800 -0.453 0.000 2.422 248 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.218 248 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.218 248 G C 1.554 176.383 174.900 -0.118 0.000 1.140 248 G CA 0.208 45.225 45.100 -0.137 0.000 0.775 248 G HN 0.172 nan 8.290 nan 0.000 0.545 249 L N 1.080 122.224 121.223 -0.132 0.000 2.023 249 L HA 0.030 4.369 4.340 -0.002 0.000 0.205 249 L C 2.904 179.759 176.870 -0.024 0.000 1.073 249 L CA 1.504 56.308 54.840 -0.061 0.000 0.745 249 L CB -0.903 41.143 42.059 -0.022 0.000 0.900 249 L HN 0.163 nan 8.230 nan 0.000 0.435 250 V N -0.049 119.847 119.914 -0.030 0.000 2.407 250 V HA -0.214 3.905 4.120 -0.002 0.000 0.248 250 V C 2.732 178.853 176.094 0.045 0.000 1.055 250 V CA 1.648 63.964 62.300 0.026 0.000 1.049 250 V CB -0.692 31.145 31.823 0.024 0.000 0.662 250 V HN 0.420 nan 8.190 nan 0.000 0.455 251 S N 0.244 115.943 115.700 -0.002 0.000 2.368 251 S HA -0.181 4.287 4.470 -0.002 0.000 0.225 251 S C 1.891 176.340 174.600 -0.251 0.000 1.030 251 S CA 1.720 59.886 58.200 -0.057 0.000 0.999 251 S CB -0.410 62.819 63.200 0.049 0.000 0.844 251 S HN 0.466 nan 8.310 nan 0.000 0.459 252 L N 1.916 123.045 121.223 -0.156 0.000 2.056 252 L HA 0.026 4.365 4.340 -0.002 0.000 0.207 252 L C 1.944 178.765 176.870 -0.083 0.000 1.078 252 L CA 1.484 56.244 54.840 -0.133 0.000 0.749 252 L CB -0.636 41.394 42.059 -0.050 0.000 0.901 252 L HN 0.269 nan 8.230 nan 0.000 0.433 253 L N -1.201 120.022 121.223 -0.000 0.000 2.043 253 L HA -0.284 4.054 4.340 -0.002 0.000 0.212 253 L C 2.502 179.366 176.870 -0.011 0.000 1.075 253 L CA 1.573 56.464 54.840 0.085 0.000 0.752 253 L CB -0.644 41.556 42.059 0.236 0.000 0.891 253 L HN 0.328 nan 8.230 nan 0.000 0.432 254 L N -1.157 120.094 121.223 0.048 0.000 2.072 254 L HA -0.207 4.132 4.340 -0.002 0.000 0.205 254 L C 2.535 179.319 176.870 -0.144 0.000 1.079 254 L CA 0.589 55.465 54.840 0.060 0.000 0.752 254 L CB -0.458 41.749 42.059 0.246 0.000 0.906 254 L HN 0.231 nan 8.230 nan 0.000 0.436 255 L N 0.437 121.501 121.223 -0.265 0.000 1.994 255 L HA -0.080 4.258 4.340 -0.002 0.000 0.208 255 L C 2.387 179.172 176.870 -0.141 0.000 1.071 255 L CA 2.226 56.929 54.840 -0.229 0.000 0.745 255 L CB -1.132 40.711 42.059 -0.360 0.000 0.892 255 L HN 0.139 nan 8.230 nan 0.000 0.431 256 G N -1.319 107.383 108.800 -0.163 0.000 2.422 256 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.218 256 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.218 256 G C 1.502 176.221 174.900 -0.302 0.000 1.146 256 G CA 0.556 45.568 45.100 -0.147 0.000 0.769 256 G HN 0.601 nan 8.290 nan 0.000 0.547 257 G N 0.291 108.684 108.800 -0.679 0.000 2.443 257 G HA2 -0.009 3.949 3.960 -0.002 0.000 0.219 257 G HA3 -0.009 3.949 3.960 -0.002 0.000 0.219 257 G C 1.642 176.204 174.900 -0.564 0.000 1.131 257 G CA 0.615 44.998 45.100 -1.195 0.000 0.775 257 G HN 0.441 nan 8.290 nan 0.000 0.547 258 L N -0.929 120.104 121.223 -0.317 0.000 2.537 258 L HA 0.268 4.607 4.340 -0.002 0.000 0.224 258 L C 1.995 178.857 176.870 -0.013 0.000 1.065 258 L CA 0.333 55.114 54.840 -0.098 0.000 0.860 258 L CB 0.274 42.326 42.059 -0.011 0.000 1.086 258 L HN 0.016 nan 8.230 nan 0.000 0.482 259 D N -0.257 120.145 120.400 0.005 0.000 2.259 259 D HA -0.106 4.533 4.640 -0.002 0.000 0.216 259 D C 2.169 178.522 176.300 0.089 0.000 0.961 259 D CA 1.650 55.688 54.000 0.062 0.000 0.878 259 D CB 0.296 41.151 40.800 0.093 0.000 1.009 259 D HN 0.199 nan 8.370 nan 0.000 0.490 260 T N -1.295 113.308 114.554 0.081 0.000 2.588 260 T HA -0.125 4.224 4.350 -0.002 0.000 0.261 260 T C 2.152 176.982 174.700 0.216 0.000 1.069 260 T CA 1.776 63.958 62.100 0.135 0.000 1.172 260 T CB -1.024 67.905 68.868 0.103 0.000 0.863 260 T HN -0.062 nan 8.240 nan 0.000 0.408 261 V N 1.721 121.748 119.914 0.188 0.000 2.392 261 V HA -0.153 3.966 4.120 -0.002 0.000 0.249 261 V C 3.010 179.291 176.094 0.312 0.000 1.059 261 V CA 1.486 63.951 62.300 0.276 0.000 1.051 261 V CB -0.962 30.982 31.823 0.202 0.000 0.658 261 V HN 0.415 nan 8.190 nan 0.000 0.455 262 V N 0.911 120.945 119.914 0.199 0.000 2.278 262 V HA -0.320 3.798 4.120 -0.002 0.000 0.251 262 V C 2.320 178.530 176.094 0.193 0.000 1.062 262 V CA 2.525 64.923 62.300 0.163 0.000 1.038 262 V CB -0.762 31.113 31.823 0.087 0.000 0.646 262 V HN 0.629 nan 8.190 nan 0.000 0.447 263 N N -0.795 118.038 118.700 0.220 0.000 2.173 263 N HA -0.102 4.637 4.740 -0.002 0.000 0.184 263 N C 1.791 177.533 175.510 0.386 0.000 1.025 263 N CA 1.459 54.650 53.050 0.235 0.000 0.852 263 N CB -0.501 38.141 38.487 0.259 0.000 0.998 263 N HN 0.499 nan 8.380 nan 0.000 0.427 264 F N 2.495 122.631 119.950 0.311 0.000 2.063 264 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 264 F C 2.192 178.119 175.800 0.212 0.000 1.105 264 F CA 1.420 59.610 58.000 0.317 0.000 1.215 264 F CB -0.392 38.767 39.000 0.266 0.000 0.972 264 F HN -0.058 nan 8.300 nan 0.000 0.483 265 L N -0.222 121.198 121.223 0.328 0.000 2.079 265 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 265 L C 2.776 179.701 176.870 0.091 0.000 1.081 265 L CA 1.315 56.290 54.840 0.225 0.000 0.752 265 L CB -1.527 40.816 42.059 0.474 0.000 0.896 265 L HN 0.405 nan 8.230 nan 0.000 0.433 266 G N -0.398 108.462 108.800 0.100 0.000 2.404 266 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.215 266 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.215 266 G C 1.317 176.066 174.900 -0.251 0.000 1.174 266 G CA 0.455 45.542 45.100 -0.022 0.000 0.780 266 G HN 0.189 nan 8.290 nan 0.000 0.537 267 F N 0.313 120.176 119.950 -0.145 0.000 2.134 267 F HA 0.052 4.577 4.527 -0.003 0.000 0.299 267 F C 2.758 178.081 175.800 -0.795 0.000 1.097 267 F CA 1.469 59.343 58.000 -0.211 0.000 1.264 267 F CB -0.369 38.659 39.000 0.047 0.000 1.001 267 F HN 0.069 nan 8.300 nan 0.000 0.479 268 M N -0.695 118.243 119.600 -1.103 0.000 2.080 268 M HA -0.271 4.208 4.480 -0.002 0.000 0.260 268 M C 2.230 178.066 176.300 -0.773 0.000 1.068 268 M CA 1.862 56.204 55.300 -1.596 0.000 1.109 268 M CB -0.205 31.668 32.600 -1.212 0.000 1.342 268 M HN 0.264 nan 8.290 nan 0.000 0.405 269 M N 0.556 119.793 119.600 -0.606 0.000 2.200 269 M HA -0.038 4.441 4.480 -0.002 0.000 0.265 269 M C 1.687 177.774 176.300 -0.354 0.000 1.066 269 M CA 1.577 56.499 55.300 -0.630 0.000 1.127 269 M CB -0.458 31.343 32.600 -1.330 0.000 1.379 269 M HN 0.322 nan 8.290 nan 0.000 0.420 270 I N -1.444 118.976 120.570 -0.251 0.000 2.163 270 I HA -0.354 3.815 4.170 -0.002 0.000 0.243 270 I C 2.226 178.363 176.117 0.032 0.000 1.085 270 I CA 1.587 62.847 61.300 -0.066 0.000 1.347 270 I CB -0.553 37.472 38.000 0.041 0.000 1.044 270 I HN 0.312 nan 8.210 nan 0.000 0.408 271 Y N 1.347 121.607 120.300 -0.067 0.000 2.145 271 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 271 Y C 2.361 178.335 175.900 0.123 0.000 1.145 271 Y CA 1.613 59.776 58.100 0.106 0.000 1.148 271 Y CB -0.127 38.442 38.460 0.182 0.000 0.981 271 Y HN -0.006 nan 8.280 nan 0.000 0.507 272 L N -0.076 121.279 121.223 0.220 0.000 2.079 272 L HA -0.255 4.084 4.340 -0.002 0.000 0.210 272 L C 2.688 179.480 176.870 -0.130 0.000 1.081 272 L CA 1.713 56.615 54.840 0.102 0.000 0.752 272 L CB -0.917 41.193 42.059 0.085 0.000 0.896 272 L HN 0.388 nan 8.230 nan 0.000 0.433 273 S N -0.389 115.271 115.700 -0.067 0.000 2.507 273 S HA -0.131 4.338 4.470 -0.002 0.000 0.235 273 S C 1.843 176.321 174.600 -0.204 0.000 0.988 273 S CA 0.638 58.753 58.200 -0.141 0.000 0.944 273 S CB -0.209 63.044 63.200 0.087 0.000 0.762 273 S HN 0.438 nan 8.310 nan 0.000 0.526 274 R N -0.426 119.936 120.500 -0.229 0.000 2.397 274 R HA 0.264 4.603 4.340 -0.002 0.000 0.241 274 R C -0.432 175.446 176.300 -0.703 0.000 0.914 274 R CA 0.100 55.966 56.100 -0.389 0.000 1.071 274 R CB 0.275 30.352 30.300 -0.373 0.000 1.116 274 R HN 0.516 nan 8.270 nan 0.000 0.524 275 H N -0.139 118.733 119.070 -0.330 0.000 2.380 275 H HA 0.160 4.715 4.556 -0.002 0.000 0.231 275 H C -1.885 173.319 175.328 -0.207 0.000 1.415 275 H CA -1.728 54.156 56.048 -0.274 0.000 1.433 275 H CB 1.150 30.710 29.762 -0.338 0.000 1.544 275 H HN -0.048 nan 8.280 nan 0.000 0.503 276 P HA -0.181 nan 4.420 nan 0.000 0.218 276 P C 0.807 178.057 177.300 -0.084 0.000 1.149 276 P CA 1.138 64.134 63.100 -0.173 0.000 0.817 276 P CB 0.592 32.195 31.700 -0.161 0.000 0.785 277 E N -0.224 119.954 120.200 -0.036 0.000 2.077 277 E HA -0.134 4.214 4.350 -0.002 0.000 0.193 277 E C 1.995 178.606 176.600 0.020 0.000 0.989 277 E CA 1.691 58.090 56.400 -0.002 0.000 0.800 277 E CB -1.780 27.929 29.700 0.016 0.000 0.746 277 E HN 0.203 nan 8.360 nan 0.000 0.452 278 T N 0.664 115.247 114.554 0.048 0.000 2.737 278 T HA -0.095 4.254 4.350 -0.002 0.000 0.265 278 T C 2.068 176.792 174.700 0.040 0.000 1.038 278 T CA 1.224 63.363 62.100 0.066 0.000 1.144 278 T CB -0.367 68.582 68.868 0.135 0.000 0.866 278 T HN -0.012 nan 8.240 nan 0.000 0.434 279 V N 1.961 121.877 119.914 0.003 0.000 2.332 279 V HA -0.218 3.900 4.120 -0.002 0.000 0.248 279 V C 2.913 179.013 176.094 0.010 0.000 1.055 279 V CA 1.820 64.113 62.300 -0.012 0.000 1.038 279 V CB -1.253 30.485 31.823 -0.143 0.000 0.651 279 V HN 0.541 nan 8.190 nan 0.000 0.450 280 A N -0.740 122.075 122.820 -0.008 0.000 1.933 280 A HA -0.248 4.070 4.320 -0.002 0.000 0.218 280 A C 2.189 179.786 177.584 0.020 0.000 1.175 280 A CA 1.871 53.912 52.037 0.007 0.000 0.628 280 A CB -0.476 18.522 19.000 -0.003 0.000 0.814 280 A HN 0.622 nan 8.150 nan 0.000 0.444 281 E N -0.628 119.586 120.200 0.023 0.000 2.038 281 E HA -0.223 4.125 4.350 -0.002 0.000 0.195 281 E C 2.110 178.730 176.600 0.034 0.000 1.000 281 E CA 1.649 58.066 56.400 0.028 0.000 0.803 281 E CB -0.282 29.436 29.700 0.030 0.000 0.750 281 E HN 0.662 nan 8.360 nan 0.000 0.448 282 M N -0.022 119.603 119.600 0.041 0.000 2.106 282 M HA -0.226 4.252 4.480 -0.002 0.000 0.259 282 M C 2.377 178.707 176.300 0.050 0.000 1.068 282 M CA 1.527 56.857 55.300 0.050 0.000 1.100 282 M CB -0.277 32.359 32.600 0.061 0.000 1.351 282 M HN 0.024 nan 8.290 nan 0.000 0.404 283 R N -0.189 120.340 120.500 0.049 0.000 2.073 283 R HA -0.087 4.251 4.340 -0.002 0.000 0.234 283 R C 2.278 178.600 176.300 0.035 0.000 1.134 283 R CA 1.436 57.563 56.100 0.045 0.000 0.952 283 R CB -0.175 30.151 30.300 0.044 0.000 0.850 283 R HN 0.383 nan 8.270 nan 0.000 0.433 284 R N 0.194 120.712 120.500 0.031 0.000 2.115 284 R HA -0.044 4.294 4.340 -0.002 0.000 0.230 284 R C 0.197 176.513 176.300 0.027 0.000 1.111 284 R CA 0.919 57.035 56.100 0.026 0.000 0.976 284 R CB 0.112 30.425 30.300 0.022 0.000 0.870 284 R HN 0.243 nan 8.270 nan 0.000 0.445 285 E N -0.257 119.962 120.200 0.031 0.000 2.518 285 E HA 0.139 4.487 4.350 -0.002 0.000 0.240 285 E C -2.197 174.425 176.600 0.037 0.000 0.996 285 E CA -1.742 54.676 56.400 0.031 0.000 0.768 285 E CB 1.857 31.575 29.700 0.030 0.000 1.329 285 E HN -0.056 nan 8.360 nan 0.000 0.408 286 P HA -0.153 nan 4.420 nan 0.000 0.219 286 P C 1.097 178.424 177.300 0.046 0.000 1.146 286 P CA 0.571 63.697 63.100 0.043 0.000 0.808 286 P CB 0.343 32.067 31.700 0.040 0.000 0.779 287 L N -0.464 120.784 121.223 0.042 0.000 2.217 287 L HA -0.056 4.282 4.340 -0.002 0.000 0.211 287 L C 2.131 179.029 176.870 0.046 0.000 1.107 287 L CA 1.629 56.495 54.840 0.044 0.000 0.783 287 L CB -1.318 40.764 42.059 0.038 0.000 0.919 287 L HN -0.045 nan 8.230 nan 0.000 0.442 288 K N -0.553 119.873 120.400 0.043 0.000 2.097 288 K HA -0.157 4.162 4.320 -0.002 0.000 0.205 288 K C 2.083 178.713 176.600 0.050 0.000 1.050 288 K CA 1.050 57.362 56.287 0.043 0.000 0.938 288 K CB -0.188 32.334 32.500 0.037 0.000 0.718 288 K HN 0.254 nan 8.250 nan 0.000 0.442 289 L N 1.385 122.641 121.223 0.054 0.000 1.976 289 L HA -0.281 4.058 4.340 -0.002 0.000 0.209 289 L C 2.398 179.312 176.870 0.074 0.000 1.071 289 L CA 1.506 56.384 54.840 0.063 0.000 0.746 289 L CB -0.289 41.810 42.059 0.066 0.000 0.890 289 L HN 0.247 nan 8.230 nan 0.000 0.432 290 Q N -0.314 119.531 119.800 0.075 0.000 2.077 290 Q HA -0.284 4.054 4.340 -0.002 0.000 0.206 290 Q C 2.232 178.287 176.000 0.091 0.000 0.989 290 Q CA 2.096 57.951 55.803 0.086 0.000 0.853 290 Q CB -0.234 28.549 28.738 0.075 0.000 0.907 290 Q HN 0.535 nan 8.270 nan 0.000 0.418 291 R N -0.479 120.066 120.500 0.076 0.000 2.236 291 R HA -0.003 4.336 4.340 -0.002 0.000 0.208 291 R C 1.959 178.306 176.300 0.078 0.000 1.036 291 R CA 0.792 56.937 56.100 0.075 0.000 1.001 291 R CB 0.067 30.402 30.300 0.059 0.000 0.896 291 R HN 0.252 nan 8.270 nan 0.000 0.464 292 G N -0.476 108.368 108.800 0.072 0.000 3.042 292 G HA2 -0.006 3.952 3.960 -0.002 0.000 0.212 292 G HA3 -0.006 3.952 3.960 -0.002 0.000 0.212 292 G C 1.155 176.098 174.900 0.072 0.000 1.166 292 G CA -0.198 44.937 45.100 0.058 0.000 0.767 292 G HN 0.049 nan 8.290 nan 0.000 0.546 293 V N 0.576 120.557 119.914 0.112 0.000 2.407 293 V HA -0.140 3.978 4.120 -0.002 0.000 0.248 293 V C 2.673 178.888 176.094 0.201 0.000 1.055 293 V CA 2.140 64.522 62.300 0.137 0.000 1.049 293 V CB -0.000 31.942 31.823 0.198 0.000 0.662 293 V HN 0.399 nan 8.190 nan 0.000 0.455 294 E N 0.417 120.769 120.200 0.253 0.000 2.150 294 E HA -0.234 4.114 4.350 -0.002 0.000 0.193 294 E C 2.049 178.749 176.600 0.166 0.000 0.985 294 E CA 1.325 57.921 56.400 0.327 0.000 0.814 294 E CB -0.202 29.668 29.700 0.283 0.000 0.752 294 E HN 0.658 nan 8.360 nan 0.000 0.466 295 E N 0.083 120.318 120.200 0.059 0.000 2.118 295 E HA -0.164 4.185 4.350 -0.002 0.000 0.195 295 E C 1.849 178.361 176.600 -0.146 0.000 0.992 295 E CA 1.381 57.742 56.400 -0.065 0.000 0.804 295 E CB -0.334 29.322 29.700 -0.073 0.000 0.741 295 E HN 0.388 nan 8.360 nan 0.000 0.458 296 L N -0.698 120.487 121.223 -0.063 0.000 2.046 296 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 296 L C 2.349 179.244 176.870 0.043 0.000 1.077 296 L CA 1.131 55.969 54.840 -0.003 0.000 0.747 296 L CB -0.580 41.547 42.059 0.112 0.000 0.896 296 L HN 0.136 nan 8.230 nan 0.000 0.432 297 F N 0.045 120.043 119.950 0.080 0.000 2.171 297 F HA -0.200 4.326 4.527 -0.001 0.000 0.300 297 F C 2.905 178.344 175.800 -0.602 0.000 1.090 297 F CA 1.144 59.000 58.000 -0.241 0.000 1.293 297 F CB -0.301 38.392 39.000 -0.512 0.000 1.013 297 F HN -0.028 nan 8.300 nan 0.000 0.486 298 R N 0.512 120.723 120.500 -0.482 0.000 2.091 298 R HA -0.214 4.124 4.340 -0.002 0.000 0.238 298 R C 2.341 178.386 176.300 -0.425 0.000 1.136 298 R CA 1.650 57.473 56.100 -0.462 0.000 0.959 298 R CB -0.172 29.937 30.300 -0.319 0.000 0.856 298 R HN 0.075 nan 8.270 nan 0.000 0.437 299 R N -0.284 119.872 120.500 -0.573 0.000 2.127 299 R HA 0.004 4.343 4.340 -0.002 0.000 0.217 299 R C 0.224 175.811 176.300 -1.188 0.000 1.074 299 R CA 1.249 56.764 56.100 -0.976 0.000 0.991 299 R CB 0.103 29.538 30.300 -1.441 0.000 0.895 299 R HN 0.189 nan 8.270 nan 0.000 0.450 300 F N 0.729 120.498 119.950 -0.300 0.000 2.798 300 F HA 0.538 5.063 4.527 -0.004 0.000 0.333 300 F C 0.261 176.152 175.800 0.152 0.000 1.324 300 F CA -0.762 57.043 58.000 -0.325 0.000 1.183 300 F CB 0.252 38.922 39.000 -0.550 0.000 1.132 300 F HN -0.008 nan 8.300 nan 0.000 0.521 301 A N 0.089 123.055 122.820 0.244 0.000 2.507 301 A HA 0.327 4.646 4.320 -0.002 0.000 0.235 301 A C 0.876 178.663 177.584 0.338 0.000 1.070 301 A CA 0.253 52.434 52.037 0.241 0.000 0.768 301 A CB 0.669 19.738 19.000 0.116 0.000 1.011 301 A HN 0.390 nan 8.150 nan 0.000 0.502 302 V N 1.685 121.708 119.914 0.182 0.000 3.408 302 V HA 0.069 4.188 4.120 -0.002 0.000 0.263 302 V C 0.074 176.152 176.094 -0.025 0.000 1.503 302 V CA 0.447 62.760 62.300 0.021 0.000 1.046 302 V CB 0.748 32.670 31.823 0.165 0.000 0.851 302 V HN 0.594 nan 8.190 nan 0.000 0.435 303 V N 1.228 121.161 119.914 0.033 0.000 2.439 303 V HA 0.512 4.631 4.120 -0.002 0.000 0.282 303 V C -0.064 176.022 176.094 -0.014 0.000 1.039 303 V CA 0.032 62.327 62.300 -0.008 0.000 0.913 303 V CB 1.472 33.291 31.823 -0.007 0.000 0.983 303 V HN 0.351 nan 8.190 nan 0.000 0.460 304 S N 3.851 119.508 115.700 -0.071 0.000 2.664 304 S HA 0.509 4.977 4.470 -0.002 0.000 0.262 304 S C -0.704 173.752 174.600 -0.241 0.000 1.229 304 S CA -0.934 57.182 58.200 -0.140 0.000 1.151 304 S CB 0.787 63.959 63.200 -0.046 0.000 1.054 304 S HN 0.986 nan 8.310 nan 0.000 0.483 305 D N 1.676 121.952 120.400 -0.207 0.000 2.727 305 D HA 0.864 5.503 4.640 -0.002 0.000 0.264 305 D C -0.349 175.832 176.300 -0.199 0.000 1.101 305 D CA -0.921 52.916 54.000 -0.272 0.000 1.122 305 D CB 1.020 41.659 40.800 -0.268 0.000 1.390 305 D HN 0.478 nan 8.370 nan 0.000 0.606 306 A N -1.052 121.678 122.820 -0.149 0.000 2.486 306 A HA 0.867 5.186 4.320 -0.002 0.000 0.289 306 A C -0.666 176.880 177.584 -0.063 0.000 1.176 306 A CA -0.797 51.166 52.037 -0.123 0.000 0.757 306 A CB 1.596 20.543 19.000 -0.088 0.000 1.337 306 A HN 0.403 nan 8.150 nan 0.000 0.423 307 R N -1.177 119.300 120.500 -0.037 0.000 2.867 307 R HA 0.432 4.771 4.340 -0.002 0.000 0.268 307 R C -2.011 174.397 176.300 0.181 0.000 1.014 307 R CA -0.510 55.629 56.100 0.064 0.000 0.946 307 R CB 1.471 31.789 30.300 0.029 0.000 1.208 307 R HN 0.761 nan 8.270 nan 0.000 0.477 308 Y N 0.594 120.953 120.300 0.098 0.000 2.328 308 Y HA 0.323 4.872 4.550 -0.002 0.000 0.337 308 Y C -0.388 175.582 175.900 0.116 0.000 0.966 308 Y CA -0.734 57.431 58.100 0.109 0.000 1.136 308 Y CB 1.268 39.775 38.460 0.078 0.000 1.170 308 Y HN 0.235 nan 8.280 nan 0.000 0.470 309 V N 8.336 128.212 119.914 -0.064 0.000 2.450 309 V HA -0.050 4.069 4.120 -0.002 0.000 0.281 309 V C 0.942 176.968 176.094 -0.115 0.000 1.019 309 V CA 0.268 62.524 62.300 -0.072 0.000 1.062 309 V CB 0.467 32.250 31.823 -0.066 0.000 0.979 309 V HN 0.945 nan 8.190 nan 0.000 0.477 310 V N 4.217 124.082 119.914 -0.081 0.000 2.358 310 V HA -0.060 4.058 4.120 -0.002 0.000 0.246 310 V C 0.988 177.069 176.094 -0.022 0.000 1.047 310 V CA 1.796 64.112 62.300 0.027 0.000 1.035 310 V CB -0.104 31.691 31.823 -0.047 0.000 0.658 310 V HN 0.962 nan 8.190 nan 0.000 0.452 311 S N -1.761 113.871 115.700 -0.114 0.000 2.618 311 S HA 0.444 4.913 4.470 -0.002 0.000 0.277 311 S C -1.547 172.987 174.600 -0.111 0.000 1.138 311 S CA -0.966 57.181 58.200 -0.088 0.000 0.844 311 S CB 1.611 64.769 63.200 -0.069 0.000 1.127 311 S HN 0.203 nan 8.310 nan 0.000 0.474 312 D N 1.978 122.325 120.400 -0.088 0.000 2.533 312 D HA 0.381 5.020 4.640 -0.002 0.000 0.236 312 D C 0.184 176.441 176.300 -0.072 0.000 1.137 312 D CA 0.820 54.767 54.000 -0.087 0.000 0.867 312 D CB -0.041 40.714 40.800 -0.074 0.000 1.170 312 D HN 0.671 nan 8.370 nan 0.000 0.474 313 M N -0.802 118.764 119.600 -0.057 0.000 2.833 313 M HA 0.445 4.924 4.480 -0.002 0.000 0.270 313 M C -1.311 175.001 176.300 0.021 0.000 1.209 313 M CA -1.032 54.252 55.300 -0.026 0.000 0.826 313 M CB 2.526 35.091 32.600 -0.059 0.000 1.657 313 M HN 0.091 nan 8.290 nan 0.000 0.492 314 E N 1.131 121.363 120.200 0.054 0.000 2.151 314 E HA 0.643 4.991 4.350 -0.002 0.000 0.275 314 E C -2.302 174.410 176.600 0.185 0.000 0.936 314 E CA -0.585 55.864 56.400 0.081 0.000 0.777 314 E CB 1.696 31.422 29.700 0.044 0.000 1.108 314 E HN 0.567 nan 8.360 nan 0.000 0.401 315 F N 4.829 124.779 119.950 0.000 0.000 2.562 315 F HA 0.282 4.808 4.527 -0.002 0.000 0.319 315 F C -0.581 175.281 175.800 0.103 0.000 1.154 315 F CA -0.516 57.528 58.000 0.074 0.000 0.931 315 F CB 0.889 39.990 39.000 0.168 0.000 1.198 315 F HN 0.705 nan 8.300 nan 0.000 0.444 316 H N 4.081 122.853 119.070 -0.496 0.000 2.604 316 H HA -0.185 4.370 4.556 -0.002 0.000 0.321 316 H C 1.379 176.603 175.328 -0.174 0.000 1.132 316 H CA 1.099 56.913 56.048 -0.389 0.000 1.129 316 H CB -1.043 28.413 29.762 -0.510 0.000 1.526 316 H HN 1.235 nan 8.280 nan 0.000 0.415 317 G N 0.476 109.238 108.800 -0.063 0.000 2.166 317 G HA2 -0.333 3.625 3.960 -0.002 0.000 0.260 317 G HA3 -0.333 3.625 3.960 -0.002 0.000 0.260 317 G C 0.393 175.307 174.900 0.022 0.000 0.986 317 G CA 1.343 46.436 45.100 -0.012 0.000 0.683 317 G HN 1.024 nan 8.290 nan 0.000 0.527 318 T N -0.569 113.991 114.554 0.011 0.000 2.848 318 T HA 0.644 4.993 4.350 -0.002 0.000 0.285 318 T C 0.416 175.106 174.700 -0.016 0.000 0.995 318 T CA -0.887 61.204 62.100 -0.016 0.000 0.970 318 T CB 0.863 69.665 68.868 -0.108 0.000 0.976 318 T HN 0.161 nan 8.240 nan 0.000 0.441 319 M N 5.136 124.763 119.600 0.045 0.000 2.184 319 M HA 0.378 4.857 4.480 -0.002 0.000 0.351 319 M C -0.551 175.828 176.300 0.132 0.000 1.395 319 M CA -0.250 55.103 55.300 0.088 0.000 1.117 319 M CB -0.034 32.647 32.600 0.135 0.000 1.708 319 M HN 0.572 nan 8.290 nan 0.000 0.468 320 L N 2.680 123.927 121.223 0.041 0.000 2.346 320 L HA 0.565 4.904 4.340 -0.002 0.000 0.274 320 L C -0.036 176.795 176.870 -0.065 0.000 1.007 320 L CA -1.001 53.858 54.840 0.032 0.000 0.818 320 L CB 1.903 43.915 42.059 -0.079 0.000 1.284 320 L HN 0.495 nan 8.230 nan 0.000 0.424 321 K N 1.458 121.771 120.400 -0.145 0.000 2.138 321 K HA 0.221 4.540 4.320 -0.002 0.000 0.263 321 K C -0.443 176.072 176.600 -0.142 0.000 0.965 321 K CA -0.550 55.572 56.287 -0.275 0.000 0.868 321 K CB 1.338 33.502 32.500 -0.561 0.000 1.083 321 K HN 0.484 nan 8.250 nan 0.000 0.443 322 E N 1.400 121.518 120.200 -0.136 0.000 2.708 322 E HA -0.057 4.292 4.350 -0.002 0.000 0.260 322 E C 0.482 176.959 176.600 -0.206 0.000 0.937 322 E CA 1.453 57.771 56.400 -0.136 0.000 0.953 322 E CB -0.002 29.663 29.700 -0.059 0.000 0.915 322 E HN 0.750 nan 8.360 nan 0.000 0.487 323 G N 3.798 112.284 108.800 -0.525 0.000 2.241 323 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.244 323 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.244 323 G C -0.148 174.488 174.900 -0.440 0.000 0.998 323 G CA 0.108 44.747 45.100 -0.768 0.000 0.621 323 G HN 0.682 nan 8.290 nan 0.000 0.519 324 D N 0.780 121.089 120.400 -0.153 0.000 2.472 324 D HA 0.418 5.057 4.640 -0.002 0.000 0.237 324 D C 1.003 177.371 176.300 0.114 0.000 1.141 324 D CA 0.410 54.503 54.000 0.155 0.000 0.875 324 D CB 0.561 41.602 40.800 0.402 0.000 1.192 324 D HN 0.386 nan 8.370 nan 0.000 0.450 325 L N 2.700 124.079 121.223 0.260 0.000 2.309 325 L HA 0.490 4.829 4.340 -0.002 0.000 0.282 325 L C 0.017 177.074 176.870 0.311 0.000 1.036 325 L CA -0.718 54.254 54.840 0.219 0.000 0.806 325 L CB 1.061 43.227 42.059 0.177 0.000 1.220 325 L HN 0.160 nan 8.230 nan 0.000 0.429 326 I N 3.945 124.621 120.570 0.177 0.000 2.389 326 I HA 0.262 4.430 4.170 -0.002 0.000 0.288 326 I C -0.508 175.602 176.117 -0.012 0.000 0.999 326 I CA -0.692 60.694 61.300 0.143 0.000 1.129 326 I CB 2.121 40.109 38.000 -0.019 0.000 1.288 326 I HN 0.359 nan 8.210 nan 0.000 0.444 327 L N 7.871 129.102 121.223 0.012 0.000 2.349 327 L HA 0.394 4.733 4.340 -0.002 0.000 0.275 327 L C -0.649 176.111 176.870 -0.183 0.000 1.115 327 L CA 0.190 54.958 54.840 -0.119 0.000 0.820 327 L CB 0.707 42.714 42.059 -0.088 0.000 1.135 327 L HN 0.459 nan 8.230 nan 0.000 0.445 328 L N 7.386 128.445 121.223 -0.274 0.000 2.371 328 L HA 0.406 4.745 4.340 -0.002 0.000 0.262 328 L C -2.162 174.505 176.870 -0.338 0.000 1.054 328 L CA -1.717 52.916 54.840 -0.346 0.000 0.924 328 L CB 0.805 42.547 42.059 -0.528 0.000 1.295 328 L HN 0.491 nan 8.230 nan 0.000 0.441 329 P HA 0.075 nan 4.420 nan 0.000 0.273 329 P C 1.187 178.192 177.300 -0.492 0.000 1.319 329 P CA -0.260 62.363 63.100 -0.794 0.000 0.885 329 P CB 0.791 31.395 31.700 -1.827 0.000 1.015 330 T N 0.633 115.047 114.554 -0.233 0.000 2.849 330 T HA -0.208 4.141 4.350 -0.002 0.000 0.270 330 T C 1.758 176.412 174.700 -0.076 0.000 1.066 330 T CA 1.157 63.222 62.100 -0.057 0.000 1.130 330 T CB -0.725 68.168 68.868 0.043 0.000 0.864 330 T HN 0.230 nan 8.240 nan 0.000 0.481 331 A N 1.624 124.354 122.820 -0.150 0.000 2.024 331 A HA 0.138 4.457 4.320 -0.002 0.000 0.220 331 A C 2.299 179.816 177.584 -0.111 0.000 1.164 331 A CA 1.203 53.186 52.037 -0.090 0.000 0.643 331 A CB -0.829 18.122 19.000 -0.082 0.000 0.806 331 A HN 0.617 nan 8.150 nan 0.000 0.451 332 L N -1.765 119.338 121.223 -0.201 0.000 2.599 332 L HA -0.011 4.328 4.340 -0.002 0.000 0.230 332 L C 2.106 178.952 176.870 -0.041 0.000 1.141 332 L CA 0.656 55.418 54.840 -0.130 0.000 0.877 332 L CB -0.537 41.402 42.059 -0.200 0.000 1.009 332 L HN 0.664 nan 8.230 nan 0.000 0.447 333 H N -0.015 118.970 119.070 -0.141 0.000 2.284 333 H HA -0.024 4.530 4.556 -0.002 0.000 0.314 333 H C 2.180 177.471 175.328 -0.062 0.000 1.058 333 H CA 0.840 56.795 56.048 -0.154 0.000 1.394 333 H CB 0.206 29.889 29.762 -0.132 0.000 1.431 333 H HN 0.215 nan 8.280 nan 0.000 0.537 334 G N 0.714 109.531 108.800 0.028 0.000 2.462 334 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.220 334 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.220 334 G C 1.332 176.260 174.900 0.047 0.000 1.121 334 G CA 0.804 45.898 45.100 -0.009 0.000 0.758 334 G HN 0.352 nan 8.290 nan 0.000 0.559 335 L N 0.316 121.555 121.223 0.026 0.000 2.667 335 L HA 0.211 4.550 4.340 -0.002 0.000 0.232 335 L C 0.331 177.244 176.870 0.071 0.000 1.138 335 L CA -0.453 54.394 54.840 0.013 0.000 0.921 335 L CB 0.184 42.224 42.059 -0.031 0.000 1.180 335 L HN 0.010 nan 8.230 nan 0.000 0.487 336 D N 1.696 122.170 120.400 0.122 0.000 2.401 336 D HA -0.080 4.559 4.640 -0.002 0.000 0.254 336 D C 0.981 177.362 176.300 0.135 0.000 1.192 336 D CA 0.091 54.162 54.000 0.119 0.000 0.885 336 D CB 1.011 41.901 40.800 0.149 0.000 1.147 336 D HN 0.254 nan 8.370 nan 0.000 0.478 337 D N 3.623 124.072 120.400 0.082 0.000 2.310 337 D HA -0.168 4.471 4.640 -0.002 0.000 0.212 337 D C 1.193 177.515 176.300 0.038 0.000 0.965 337 D CA 0.440 54.477 54.000 0.062 0.000 0.879 337 D CB 0.029 40.852 40.800 0.038 0.000 0.921 337 D HN 0.419 nan 8.370 nan 0.000 0.510 338 R N -0.672 119.853 120.500 0.042 0.000 2.236 338 R HA 0.031 4.369 4.340 -0.002 0.000 0.208 338 R C 1.384 177.600 176.300 -0.140 0.000 1.036 338 R CA 0.668 56.750 56.100 -0.030 0.000 1.001 338 R CB -0.093 30.191 30.300 -0.026 0.000 0.896 338 R HN 0.331 nan 8.270 nan 0.000 0.464 339 H N -1.796 117.196 119.070 -0.130 0.000 2.553 339 H HA 0.193 4.747 4.556 -0.003 0.000 0.276 339 H C -0.329 174.624 175.328 -0.624 0.000 0.979 339 H CA 0.647 56.490 56.048 -0.342 0.000 1.268 339 H CB 0.565 30.132 29.762 -0.324 0.000 1.450 339 H HN 0.114 nan 8.280 nan 0.000 0.527 340 H N -0.142 118.999 119.070 0.120 0.000 2.934 340 H HA 0.181 4.736 4.556 -0.002 0.000 0.340 340 H C -1.067 174.275 175.328 0.024 0.000 1.008 340 H CA -1.014 55.067 56.048 0.055 0.000 1.317 340 H CB 1.207 30.990 29.762 0.035 0.000 1.670 340 H HN 0.067 nan 8.280 nan 0.000 0.516 341 D N 3.011 123.481 120.400 0.117 0.000 2.414 341 D HA 0.003 4.642 4.640 -0.002 0.000 0.242 341 D C 0.044 176.378 176.300 0.057 0.000 1.129 341 D CA 0.527 54.566 54.000 0.064 0.000 0.885 341 D CB 0.428 41.254 40.800 0.042 0.000 1.198 341 D HN 0.587 nan 8.370 nan 0.000 0.437 342 D N 1.422 121.844 120.400 0.037 0.000 2.735 342 D HA -0.137 4.501 4.640 -0.002 0.000 0.235 342 D C -1.507 174.795 176.300 0.004 0.000 1.175 342 D CA 0.051 54.064 54.000 0.021 0.000 0.683 342 D CB -0.513 40.297 40.800 0.016 0.000 1.008 342 D HN 0.385 nan 8.370 nan 0.000 0.416 343 P HA -0.135 nan 4.420 nan 0.000 0.221 343 P C 1.639 178.875 177.300 -0.107 0.000 1.150 343 P CA 0.565 63.654 63.100 -0.017 0.000 0.800 343 P CB 0.172 31.892 31.700 0.033 0.000 0.787 344 M N -0.412 119.147 119.600 -0.069 0.000 2.476 344 M HA 0.017 4.495 4.480 -0.002 0.000 0.262 344 M C 1.193 177.443 176.300 -0.082 0.000 1.079 344 M CA 0.809 56.060 55.300 -0.080 0.000 1.104 344 M CB -1.662 30.943 32.600 0.010 0.000 1.409 344 M HN -0.022 nan 8.290 nan 0.000 0.467 345 T N 1.074 115.586 114.554 -0.071 0.000 2.771 345 T HA 0.388 4.737 4.350 -0.002 0.000 0.291 345 T C -0.129 174.455 174.700 -0.193 0.000 0.954 345 T CA -0.568 61.495 62.100 -0.062 0.000 1.045 345 T CB 1.148 70.023 68.868 0.011 0.000 0.917 345 T HN -0.068 nan 8.240 nan 0.000 0.484 346 V N 5.774 125.519 119.914 -0.281 0.000 2.446 346 V HA 0.223 4.342 4.120 -0.002 0.000 0.276 346 V C 0.463 176.485 176.094 -0.120 0.000 1.030 346 V CA -0.097 62.017 62.300 -0.310 0.000 1.033 346 V CB 0.508 32.090 31.823 -0.401 0.000 0.993 346 V HN 0.926 nan 8.190 nan 0.000 0.477 347 D N 4.740 125.073 120.400 -0.112 0.000 2.454 347 D HA 0.304 4.943 4.640 -0.002 0.000 0.247 347 D C 0.789 177.064 176.300 -0.041 0.000 1.129 347 D CA -0.443 53.527 54.000 -0.051 0.000 0.877 347 D CB 1.428 42.205 40.800 -0.039 0.000 1.082 347 D HN 0.351 nan 8.370 nan 0.000 0.537 348 L N 1.838 123.051 121.223 -0.017 0.000 2.265 348 L HA -0.090 4.249 4.340 -0.002 0.000 0.215 348 L C 1.785 178.660 176.870 0.009 0.000 1.117 348 L CA 0.750 55.589 54.840 -0.001 0.000 0.782 348 L CB -0.121 41.948 42.059 0.016 0.000 0.914 348 L HN 0.258 nan 8.230 nan 0.000 0.441 349 S N -1.181 114.524 115.700 0.009 0.000 2.575 349 S HA 0.047 4.515 4.470 -0.002 0.000 0.215 349 S C 0.891 175.500 174.600 0.016 0.000 0.966 349 S CA -0.277 57.933 58.200 0.016 0.000 0.911 349 S CB -0.209 63.002 63.200 0.017 0.000 0.780 349 S HN 0.260 nan 8.310 nan 0.000 0.514 350 R N 2.243 122.746 120.500 0.005 0.000 2.480 350 R HA 0.052 4.390 4.340 -0.002 0.000 0.303 350 R C 1.493 177.811 176.300 0.029 0.000 0.985 350 R CA -0.049 56.057 56.100 0.009 0.000 1.051 350 R CB 0.272 30.555 30.300 -0.028 0.000 0.935 350 R HN -0.016 nan 8.270 nan 0.000 0.410 351 R N 2.270 122.797 120.500 0.044 0.000 2.093 351 R HA -0.057 4.282 4.340 -0.002 0.000 0.224 351 R C -0.334 176.008 176.300 0.070 0.000 1.101 351 R CA 1.330 57.461 56.100 0.051 0.000 0.979 351 R CB -0.247 30.081 30.300 0.046 0.000 0.877 351 R HN 0.620 nan 8.270 nan 0.000 0.441 352 D N 0.380 120.839 120.400 0.099 0.000 2.412 352 D HA 0.080 4.719 4.640 -0.002 0.000 0.224 352 D C 0.502 176.922 176.300 0.200 0.000 1.093 352 D CA -0.257 53.836 54.000 0.155 0.000 0.850 352 D CB 1.308 42.208 40.800 0.167 0.000 1.046 352 D HN -0.011 nan 8.370 nan 0.000 0.507 353 V N 1.327 121.323 119.914 0.137 0.000 3.376 353 V HA 0.230 4.349 4.120 -0.002 0.000 0.313 353 V C 0.772 176.944 176.094 0.129 0.000 1.393 353 V CA -0.041 62.280 62.300 0.036 0.000 1.125 353 V CB -1.063 30.793 31.823 0.055 0.000 1.037 353 V HN 0.565 nan 8.190 nan 0.000 0.440 354 T N 1.634 116.328 114.554 0.233 0.000 2.891 354 T HA 0.284 4.633 4.350 -0.002 0.000 0.296 354 T C -0.045 174.585 174.700 -0.116 0.000 1.025 354 T CA 0.998 63.128 62.100 0.049 0.000 1.149 354 T CB -0.350 68.597 68.868 0.131 0.000 1.007 354 T HN 1.085 nan 8.240 nan 0.000 0.528 355 H N -0.860 117.983 119.070 -0.378 0.000 2.948 355 H HA 0.655 5.210 4.556 -0.002 0.000 0.315 355 H C -0.535 174.511 175.328 -0.470 0.000 1.360 355 H CA -1.170 54.474 56.048 -0.673 0.000 1.125 355 H CB 0.924 30.493 29.762 -0.323 0.000 1.844 355 H HN 0.313 nan 8.280 nan 0.000 0.529 356 S N -0.087 115.556 115.700 -0.094 0.000 2.711 356 S HA 0.092 4.561 4.470 -0.002 0.000 0.247 356 S C 0.616 175.261 174.600 0.076 0.000 1.079 356 S CA 0.171 58.432 58.200 0.101 0.000 1.050 356 S CB -0.032 63.374 63.200 0.344 0.000 0.885 356 S HN 0.710 nan 8.310 nan 0.000 0.498 357 T N 1.266 115.899 114.554 0.132 0.000 2.759 357 T HA -0.038 4.311 4.350 -0.002 0.000 0.269 357 T C 0.658 175.155 174.700 -0.338 0.000 1.042 357 T CA 1.383 63.368 62.100 -0.192 0.000 1.140 357 T CB -0.269 68.307 68.868 -0.488 0.000 0.864 357 T HN 0.454 nan 8.240 nan 0.000 0.455 358 F N 1.254 121.204 119.950 0.000 0.000 2.660 358 F HA 0.642 5.168 4.527 -0.002 0.000 0.302 358 F C 1.301 176.961 175.800 -0.234 0.000 1.103 358 F CA -0.617 57.301 58.000 -0.137 0.000 1.340 358 F CB -1.198 37.698 39.000 -0.174 0.000 1.048 358 F HN 0.203 nan 8.300 nan 0.000 0.551 359 A N -0.113 122.581 122.820 -0.211 0.000 6.226 359 A HA -0.109 4.209 4.320 -0.002 0.000 0.254 359 A C 0.065 177.443 177.584 -0.344 0.000 2.160 359 A CA 0.502 52.123 52.037 -0.693 0.000 0.705 359 A CB -0.749 17.520 19.000 -1.220 0.000 1.036 359 A HN 0.292 nan 8.150 nan 0.000 0.366 360 Q N -0.945 118.641 119.800 -0.357 0.000 2.693 360 Q HA 0.601 4.940 4.340 -0.002 0.000 0.306 360 Q C 0.456 176.461 176.000 0.009 0.000 0.969 360 Q CA 0.424 56.197 55.803 -0.051 0.000 0.757 360 Q CB 0.916 29.710 28.738 0.094 0.000 1.494 360 Q HN 3.005 nan 8.270 nan 0.000 0.459 361 G N 1.136 109.965 108.800 0.049 0.000 2.593 361 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.237 361 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.237 361 G C -1.847 173.064 174.900 0.019 0.000 1.312 361 G CA -0.003 45.135 45.100 0.064 0.000 0.896 361 G HN 0.492 nan 8.290 nan 0.000 0.574 362 P HA -0.029 nan 4.420 nan 0.000 0.221 362 P C 0.992 178.157 177.300 -0.225 0.000 1.150 362 P CA 1.713 64.725 63.100 -0.147 0.000 0.800 362 P CB -0.156 31.345 31.700 -0.332 0.000 0.787 363 H N -1.047 117.957 119.070 -0.111 0.000 2.533 363 H HA 0.141 4.696 4.556 -0.002 0.000 0.271 363 H C 0.931 176.238 175.328 -0.035 0.000 1.000 363 H CA -0.242 55.788 56.048 -0.030 0.000 1.149 363 H CB -0.005 29.736 29.762 -0.035 0.000 1.375 363 H HN 0.130 nan 8.280 nan 0.000 0.582 364 R N 1.398 121.909 120.500 0.019 0.000 2.523 364 R HA -0.071 4.268 4.340 -0.002 0.000 0.281 364 R C 0.012 176.286 176.300 -0.042 0.000 0.969 364 R CA -0.048 56.028 56.100 -0.042 0.000 1.093 364 R CB 0.059 30.329 30.300 -0.050 0.000 0.917 364 R HN 0.269 nan 8.270 nan 0.000 0.408 365 C N 5.062 124.334 119.300 -0.047 0.000 2.106 365 C HA -0.084 4.374 4.460 -0.002 0.000 0.402 365 C C 1.810 176.693 174.990 -0.179 0.000 1.548 365 C CA 0.414 59.385 59.018 -0.079 0.000 1.432 365 C CB -1.426 26.281 27.740 -0.054 0.000 2.584 365 C HN 0.884 nan 8.230 nan 0.000 0.604 366 A N 4.605 127.375 122.820 -0.082 0.000 2.119 366 A HA 0.173 4.491 4.320 -0.002 0.000 0.217 366 A C 2.025 179.531 177.584 -0.129 0.000 1.153 366 A CA 1.427 53.416 52.037 -0.080 0.000 0.692 366 A CB -0.429 18.573 19.000 0.004 0.000 0.799 366 A HN 1.359 nan 8.150 nan 0.000 0.458 367 G N -0.091 108.613 108.800 -0.160 0.000 3.284 367 G HA2 0.213 4.171 3.960 -0.002 0.000 0.236 367 G HA3 0.213 4.171 3.960 -0.002 0.000 0.236 367 G C 1.260 175.961 174.900 -0.332 0.000 1.158 367 G CA 0.480 45.487 45.100 -0.154 0.000 0.774 367 G HN 0.640 nan 8.290 nan 0.000 0.545 368 M N -0.958 118.245 119.600 -0.661 0.000 2.159 368 M HA -0.062 4.417 4.480 -0.002 0.000 0.263 368 M C 2.093 177.925 176.300 -0.781 0.000 1.063 368 M CA 1.286 55.881 55.300 -1.176 0.000 1.110 368 M CB -0.783 30.780 32.600 -1.729 0.000 1.374 368 M HN 0.076 nan 8.290 nan 0.000 0.411 369 H N 0.967 119.854 119.070 -0.306 0.000 2.353 369 H HA -0.063 4.492 4.556 -0.002 0.000 0.300 369 H C 2.295 177.577 175.328 -0.078 0.000 1.090 369 H CA 1.854 57.809 56.048 -0.156 0.000 1.327 369 H CB -0.728 28.975 29.762 -0.098 0.000 1.383 369 H HN 0.413 nan 8.280 nan 0.000 0.508 370 L N 1.238 122.477 121.223 0.027 0.000 2.046 370 L HA -0.056 4.283 4.340 -0.002 0.000 0.208 370 L C 2.573 179.482 176.870 0.064 0.000 1.077 370 L CA 1.798 56.675 54.840 0.060 0.000 0.747 370 L CB -0.923 41.181 42.059 0.075 0.000 0.896 370 L HN 0.186 nan 8.230 nan 0.000 0.432 371 A N -0.256 122.560 122.820 -0.007 0.000 1.883 371 A HA -0.257 4.062 4.320 -0.002 0.000 0.217 371 A C 2.418 180.159 177.584 0.261 0.000 1.186 371 A CA 2.036 54.131 52.037 0.096 0.000 0.624 371 A CB -0.602 18.409 19.000 0.017 0.000 0.822 371 A HN 0.511 nan 8.150 nan 0.000 0.444 372 R N -1.250 119.339 120.500 0.149 0.000 2.091 372 R HA -0.127 4.212 4.340 -0.002 0.000 0.238 372 R C 2.138 178.608 176.300 0.283 0.000 1.136 372 R CA 1.501 57.797 56.100 0.326 0.000 0.959 372 R CB -0.535 29.873 30.300 0.181 0.000 0.856 372 R HN 0.503 nan 8.270 nan 0.000 0.437 373 L N 1.411 122.758 121.223 0.207 0.000 2.027 373 L HA -0.116 4.222 4.340 -0.002 0.000 0.206 373 L C 1.804 178.832 176.870 0.263 0.000 1.074 373 L CA 1.788 56.749 54.840 0.201 0.000 0.745 373 L CB -0.407 41.745 42.059 0.154 0.000 0.898 373 L HN 0.118 nan 8.230 nan 0.000 0.433 374 E N -0.793 119.577 120.200 0.284 0.000 2.086 374 E HA -0.256 4.093 4.350 -0.002 0.000 0.200 374 E C 2.110 179.031 176.600 0.534 0.000 1.012 374 E CA 1.938 58.594 56.400 0.428 0.000 0.812 374 E CB -0.329 29.542 29.700 0.286 0.000 0.743 374 E HN 0.436 nan 8.360 nan 0.000 0.453 375 V N 0.992 121.158 119.914 0.420 0.000 2.358 375 V HA -0.228 3.891 4.120 -0.002 0.000 0.246 375 V C 2.338 178.589 176.094 0.262 0.000 1.047 375 V CA 2.098 64.613 62.300 0.359 0.000 1.035 375 V CB -0.728 31.262 31.823 0.279 0.000 0.658 375 V HN 0.325 nan 8.190 nan 0.000 0.452 376 T N 0.169 114.870 114.554 0.245 0.000 2.652 376 T HA -0.184 4.165 4.350 -0.002 0.000 0.267 376 T C 1.972 176.773 174.700 0.169 0.000 1.039 376 T CA 1.784 63.995 62.100 0.186 0.000 1.153 376 T CB -0.321 68.653 68.868 0.176 0.000 0.863 376 T HN 0.263 nan 8.240 nan 0.000 0.428 377 V N 2.261 122.299 119.914 0.206 0.000 2.295 377 V HA -0.190 3.929 4.120 -0.002 0.000 0.246 377 V C 2.552 178.722 176.094 0.126 0.000 1.049 377 V CA 1.669 64.078 62.300 0.183 0.000 1.024 377 V CB -0.669 31.303 31.823 0.249 0.000 0.648 377 V HN 0.471 nan 8.190 nan 0.000 0.447 378 M N -0.140 119.537 119.600 0.129 0.000 2.082 378 M HA -0.217 4.261 4.480 -0.002 0.000 0.258 378 M C 2.193 178.511 176.300 0.030 0.000 1.071 378 M CA 2.241 57.530 55.300 -0.017 0.000 1.103 378 M CB -0.771 31.872 32.600 0.072 0.000 1.307 378 M HN 0.293 nan 8.290 nan 0.000 0.409 379 L N -0.060 121.202 121.223 0.065 0.000 2.046 379 L HA -0.256 4.083 4.340 -0.002 0.000 0.208 379 L C 2.604 179.530 176.870 0.092 0.000 1.077 379 L CA 1.410 56.286 54.840 0.060 0.000 0.747 379 L CB -0.693 41.401 42.059 0.059 0.000 0.896 379 L HN 0.429 nan 8.230 nan 0.000 0.432 380 Q N -0.418 119.433 119.800 0.084 0.000 2.061 380 Q HA -0.212 4.126 4.340 -0.002 0.000 0.204 380 Q C 2.180 178.211 176.000 0.052 0.000 0.984 380 Q CA 1.478 57.324 55.803 0.071 0.000 0.846 380 Q CB 0.011 28.791 28.738 0.071 0.000 0.902 380 Q HN 0.404 nan 8.270 nan 0.000 0.421 381 E N -0.389 119.836 120.200 0.042 0.000 2.216 381 E HA -0.139 4.210 4.350 -0.002 0.000 0.192 381 E C 1.465 178.040 176.600 -0.042 0.000 0.988 381 E CA 0.398 56.795 56.400 -0.003 0.000 0.834 381 E CB -0.264 29.432 29.700 -0.007 0.000 0.772 381 E HN 0.491 nan 8.360 nan 0.000 0.479 382 W N 1.685 122.867 121.300 -0.196 0.000 2.353 382 W HA -0.123 4.535 4.660 -0.004 0.000 0.319 382 W C 1.782 178.175 176.519 -0.211 0.000 1.207 382 W CA 1.064 58.241 57.345 -0.280 0.000 1.291 382 W CB -0.462 28.764 29.460 -0.391 0.000 1.159 382 W HN 0.017 nan 8.180 nan 0.000 0.478 383 L N 0.916 122.241 121.223 0.170 0.000 2.191 383 L HA -0.174 4.165 4.340 -0.002 0.000 0.212 383 L C 2.763 179.637 176.870 0.006 0.000 1.103 383 L CA 1.148 56.066 54.840 0.131 0.000 0.769 383 L CB -1.280 40.869 42.059 0.150 0.000 0.908 383 L HN -0.070 nan 8.230 nan 0.000 0.438 384 A N 0.397 123.202 122.820 -0.025 0.000 1.940 384 A HA -0.197 4.121 4.320 -0.002 0.000 0.219 384 A C 2.381 179.901 177.584 -0.106 0.000 1.176 384 A CA 1.659 53.667 52.037 -0.049 0.000 0.631 384 A CB -0.305 18.671 19.000 -0.040 0.000 0.814 384 A HN 0.385 nan 8.150 nan 0.000 0.446 385 R N -1.773 118.603 120.500 -0.207 0.000 2.225 385 R HA 0.396 4.735 4.340 -0.002 0.000 0.194 385 R C -0.294 175.783 176.300 -0.372 0.000 0.957 385 R CA 0.450 56.388 56.100 -0.269 0.000 1.042 385 R CB 0.428 30.535 30.300 -0.321 0.000 1.004 385 R HN 0.424 nan 8.270 nan 0.000 0.509 386 I N 2.069 122.330 120.570 -0.516 0.000 2.871 386 I HA 0.188 4.357 4.170 -0.002 0.000 0.284 386 I C -1.977 174.030 176.117 -0.184 0.000 1.390 386 I CA -1.623 59.293 61.300 -0.641 0.000 0.958 386 I CB 1.984 39.101 38.000 -1.472 0.000 1.618 386 I HN -0.168 nan 8.210 nan 0.000 0.595 387 P HA -0.097 nan 4.420 nan 0.000 0.218 387 P C 0.186 177.595 177.300 0.182 0.000 1.148 387 P CA 1.420 64.576 63.100 0.093 0.000 0.822 387 P CB 0.498 32.226 31.700 0.047 0.000 0.784 388 E N -0.795 119.524 120.200 0.198 0.000 2.317 388 E HA 0.593 4.942 4.350 -0.002 0.000 0.270 388 E C -0.769 176.057 176.600 0.376 0.000 0.885 388 E CA -0.799 55.705 56.400 0.173 0.000 0.760 388 E CB 2.042 31.805 29.700 0.105 0.000 1.227 388 E HN 0.006 nan 8.360 nan 0.000 0.434 389 F N -0.831 119.202 119.950 0.137 0.000 2.769 389 F HA 0.562 5.090 4.527 0.002 0.000 0.313 389 F C -1.592 174.284 175.800 0.128 0.000 1.146 389 F CA -1.218 56.914 58.000 0.220 0.000 0.934 389 F CB 0.979 40.131 39.000 0.253 0.000 1.283 389 F HN 0.441 nan 8.300 nan 0.000 0.443 390 R N 2.131 122.814 120.500 0.304 0.000 2.817 390 R HA 0.726 5.064 4.340 -0.002 0.000 0.268 390 R C -2.055 174.356 176.300 0.184 0.000 1.027 390 R CA -1.178 54.991 56.100 0.115 0.000 0.928 390 R CB 2.075 32.400 30.300 0.041 0.000 1.228 390 R HN 0.944 nan 8.270 nan 0.000 0.469 391 L N 1.962 123.234 121.223 0.083 0.000 2.380 391 L HA 0.264 4.602 4.340 -0.002 0.000 0.273 391 L C 0.218 177.118 176.870 0.050 0.000 1.138 391 L CA -0.405 54.476 54.840 0.068 0.000 0.832 391 L CB 1.109 43.181 42.059 0.021 0.000 1.124 391 L HN 0.724 nan 8.230 nan 0.000 0.454 392 K N 3.696 124.125 120.400 0.050 0.000 2.489 392 K HA -0.079 4.240 4.320 -0.002 0.000 0.278 392 K C -0.035 176.567 176.600 0.004 0.000 1.000 392 K CA -0.274 56.026 56.287 0.022 0.000 1.012 392 K CB 0.328 32.835 32.500 0.011 0.000 0.903 392 K HN 0.510 nan 8.250 nan 0.000 0.485 393 D N 3.558 123.954 120.400 -0.006 0.000 2.586 393 D HA -0.095 4.544 4.640 -0.002 0.000 0.234 393 D C 0.145 176.438 176.300 -0.011 0.000 1.132 393 D CA 1.008 55.001 54.000 -0.012 0.000 0.860 393 D CB 0.348 41.138 40.800 -0.017 0.000 1.159 393 D HN 0.651 nan 8.370 nan 0.000 0.490 394 R N 0.219 120.714 120.500 -0.009 0.000 4.000 394 R HA -0.218 4.120 4.340 -0.002 0.000 0.362 394 R C 0.160 176.458 176.300 -0.004 0.000 1.183 394 R CA 0.786 56.882 56.100 -0.006 0.000 1.011 394 R CB -1.922 28.373 30.300 -0.008 0.000 1.501 394 R HN 0.448 nan 8.270 nan 0.000 0.553 395 A N 0.742 123.561 122.820 -0.003 0.000 2.462 395 A HA 0.442 4.761 4.320 -0.002 0.000 0.243 395 A C 0.456 178.040 177.584 -0.001 0.000 1.076 395 A CA 0.028 52.063 52.037 -0.005 0.000 0.773 395 A CB 0.728 19.727 19.000 -0.002 0.000 1.010 395 A HN 0.067 nan 8.150 nan 0.000 0.493 396 V N 5.640 125.546 119.914 -0.012 0.000 2.325 396 V HA 0.272 4.391 4.120 -0.002 0.000 0.280 396 V C -2.291 173.760 176.094 -0.071 0.000 1.016 396 V CA -1.346 60.948 62.300 -0.010 0.000 0.818 396 V CB 1.139 32.963 31.823 0.002 0.000 1.019 396 V HN 0.800 nan 8.190 nan 0.000 0.434 397 P HA 0.193 nan 4.420 nan 0.000 0.267 397 P C -0.578 176.420 177.300 -0.504 0.000 1.200 397 P CA -0.017 62.876 63.100 -0.344 0.000 0.772 397 P CB 0.535 31.946 31.700 -0.482 0.000 0.855 398 I N 3.260 123.533 120.570 -0.494 0.000 2.336 398 I HA 0.279 4.447 4.170 -0.002 0.000 0.292 398 I C -0.081 175.676 176.117 -0.600 0.000 0.991 398 I CA -0.596 60.454 61.300 -0.416 0.000 1.227 398 I CB 0.231 38.099 38.000 -0.219 0.000 1.366 398 I HN 0.370 nan 8.210 nan 0.000 0.466 399 Y N 4.737 124.880 120.300 -0.261 0.000 2.446 399 Y HA 0.498 5.046 4.550 -0.003 0.000 0.338 399 Y C 0.306 175.955 175.900 -0.419 0.000 1.055 399 Y CA -0.617 57.374 58.100 -0.182 0.000 1.101 399 Y CB 1.658 40.154 38.460 0.059 0.000 1.221 399 Y HN 0.426 nan 8.280 nan 0.000 0.460 400 H N 0.519 119.767 119.070 0.297 0.000 2.717 400 H HA 0.499 5.054 4.556 -0.002 0.000 0.366 400 H C -0.982 174.471 175.328 0.208 0.000 1.132 400 H CA -0.886 55.283 56.048 0.202 0.000 1.180 400 H CB 2.258 32.100 29.762 0.133 0.000 1.678 400 H HN 0.663 nan 8.280 nan 0.000 0.537 401 S N 1.230 117.114 115.700 0.306 0.000 2.600 401 S HA 0.920 5.389 4.470 -0.002 0.000 0.300 401 S C 0.312 175.017 174.600 0.176 0.000 1.087 401 S CA -0.043 58.319 58.200 0.269 0.000 0.965 401 S CB 2.903 66.266 63.200 0.271 0.000 1.089 401 S HN 1.007 nan 8.310 nan 0.000 0.496 402 G N 0.688 109.522 108.800 0.057 0.000 2.452 402 G HA2 0.267 4.226 3.960 -0.002 0.000 0.224 402 G HA3 0.267 4.226 3.960 -0.002 0.000 0.224 402 G C -0.078 174.674 174.900 -0.247 0.000 1.208 402 G CA -0.205 44.761 45.100 -0.224 0.000 0.946 402 G HN 0.585 nan 8.290 nan 0.000 0.481 403 I N 0.220 120.610 120.570 -0.300 0.000 2.439 403 I HA 0.123 4.291 4.170 -0.002 0.000 0.251 403 I C 0.919 176.896 176.117 -0.234 0.000 1.139 403 I CA 1.182 62.216 61.300 -0.442 0.000 1.438 403 I CB -0.759 36.667 38.000 -0.957 0.000 1.085 403 I HN 0.054 nan 8.210 nan 0.000 0.427 404 V N 1.236 121.089 119.914 -0.102 0.000 2.531 404 V HA 0.628 4.747 4.120 -0.002 0.000 0.301 404 V C 0.247 176.295 176.094 -0.077 0.000 1.034 404 V CA -1.185 61.081 62.300 -0.057 0.000 0.865 404 V CB 1.594 33.435 31.823 0.029 0.000 0.995 404 V HN 0.228 nan 8.190 nan 0.000 0.424 405 A N 3.756 126.410 122.820 -0.276 0.000 2.386 405 A HA 0.865 5.184 4.320 -0.002 0.000 0.248 405 A C 0.310 177.933 177.584 0.064 0.000 1.082 405 A CA 0.461 52.249 52.037 -0.414 0.000 0.789 405 A CB 0.612 18.671 19.000 -1.568 0.000 1.025 405 A HN 1.603 nan 8.150 nan 0.000 0.490 406 A N 0.352 123.302 122.820 0.218 0.000 2.556 406 A HA 0.771 5.090 4.320 -0.002 0.000 0.294 406 A C -0.960 176.730 177.584 0.177 0.000 1.091 406 A CA -0.243 51.919 52.037 0.208 0.000 0.704 406 A CB 1.535 20.637 19.000 0.170 0.000 1.300 406 A HN 2.205 nan 8.150 nan 0.000 0.406 407 V N 0.801 120.667 119.914 -0.080 0.000 2.932 407 V HA 0.777 4.896 4.120 -0.002 0.000 0.307 407 V C -1.370 174.618 176.094 -0.177 0.000 1.147 407 V CA -0.224 61.914 62.300 -0.270 0.000 0.951 407 V CB 1.956 33.349 31.823 -0.717 0.000 1.031 407 V HN 1.250 nan 8.190 nan 0.000 0.426 408 E N 4.078 124.164 120.200 -0.189 0.000 2.446 408 E HA 0.492 4.841 4.350 -0.002 0.000 0.276 408 E C -0.707 175.807 176.600 -0.143 0.000 0.969 408 E CA -0.992 55.345 56.400 -0.105 0.000 0.800 408 E CB 1.735 31.429 29.700 -0.011 0.000 1.341 408 E HN 0.830 nan 8.360 nan 0.000 0.460 409 N N 0.086 118.743 118.700 -0.072 0.000 2.623 409 N HA -0.140 4.599 4.740 -0.002 0.000 0.271 409 N C -1.632 173.844 175.510 -0.056 0.000 1.206 409 N CA 0.427 53.442 53.050 -0.058 0.000 0.666 409 N CB -1.281 37.161 38.487 -0.075 0.000 0.887 409 N HN 0.624 nan 8.380 nan 0.000 0.554 410 I N 2.140 122.712 120.570 0.002 0.000 2.778 410 I HA 0.280 4.449 4.170 -0.002 0.000 0.285 410 I C -2.151 174.015 176.117 0.081 0.000 1.236 410 I CA -1.543 59.776 61.300 0.032 0.000 1.089 410 I CB 1.216 39.263 38.000 0.077 0.000 1.601 410 I HN 0.092 nan 8.210 nan 0.000 0.573 411 P HA 0.256 nan 4.420 nan 0.000 0.280 411 P C -0.522 176.850 177.300 0.121 0.000 1.300 411 P CA 0.103 63.253 63.100 0.084 0.000 0.785 411 P CB 0.843 32.570 31.700 0.045 0.000 0.874 412 L N 3.372 124.716 121.223 0.201 0.000 2.344 412 L HA 0.525 4.864 4.340 -0.002 0.000 0.272 412 L C 0.832 177.905 176.870 0.338 0.000 1.035 412 L CA -0.587 54.446 54.840 0.320 0.000 0.807 412 L CB 1.246 43.566 42.059 0.435 0.000 1.237 412 L HN 0.289 nan 8.230 nan 0.000 0.442 413 E N 0.828 121.264 120.200 0.393 0.000 2.356 413 E HA 0.559 4.908 4.350 -0.002 0.000 0.275 413 E C -1.872 174.998 176.600 0.450 0.000 0.904 413 E CA -0.666 55.847 56.400 0.189 0.000 0.757 413 E CB 2.680 32.415 29.700 0.059 0.000 1.232 413 E HN 0.517 nan 8.360 nan 0.000 0.442 414 W N 0.436 121.825 121.300 0.148 0.000 3.059 414 W HA 0.451 5.109 4.660 -0.004 0.000 0.329 414 W C -1.349 175.226 176.519 0.093 0.000 1.246 414 W CA -0.901 56.526 57.345 0.135 0.000 1.190 414 W CB 0.354 29.923 29.460 0.181 0.000 1.423 414 W HN 0.278 nan 8.180 nan 0.000 0.571 415 E N 2.862 123.234 120.200 0.286 0.000 2.105 415 E HA 0.423 4.771 4.350 -0.002 0.000 0.285 415 E C -2.181 174.600 176.600 0.303 0.000 1.055 415 E CA -2.128 54.375 56.400 0.172 0.000 0.843 415 E CB 0.588 30.366 29.700 0.131 0.000 1.067 415 E HN 0.129 nan 8.360 nan 0.000 0.398 416 P HA -0.117 nan 4.420 nan 0.000 0.259 416 P C -0.594 176.817 177.300 0.184 0.000 1.163 416 P CA 0.399 63.666 63.100 0.279 0.000 0.760 416 P CB 0.264 32.047 31.700 0.138 0.000 0.762 417 Q N 0.000 119.895 119.800 0.159 0.000 2.315 417 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 417 Q CA 0.000 55.857 55.803 0.090 0.000 1.022 417 Q CB 0.000 28.768 28.738 0.050 0.000 1.108 417 Q HN 0.000 nan 8.270 nan 0.000 0.481