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 3kqz_1_D DATA FIRST_RESID 85 DATA SEQUENCE ASEVPQVVSL DPTSIPIEYN TPIHDIKVQV YDIKGGCNVE EGLTIFLVNN DATA SEQUENCE PGKENGPVKI SSKVNDKQVS EFLKDENMEK FNVKLGTSKH FYMFNDNKNS DATA SEQUENCE VAVGYVGCGS VADLSEADMK RVVLSLVTML HDNKLSKLTV VFEINVDKNL DATA SEQUENCE FRFFLETLFY EYMTDERFKS XXXXXNMEYI KHLGVYINNA DTYKEEVEKA DATA SEQUENCE RVYYFGTYYA SQLIAAPSNY CNPVSLSNAA VELAQKLNLE YKILGVKELE DATA SEQUENCE ELKMGAYLSV GKGSMYPNKF IHLTYKSKGD VKKKIALVGK GITFDSGGYN DATA SEQUENCE LKAAPGSMID LMKFDMSGCA AVLGCAYCVG TLKPENVEIH FLSAVCENMV DATA SEQUENCE SKNSYRPGDI ITASNGKTIE VGNTDAEGRL TLADALVYAE KLGVDYIVDI DATA SEQUENCE ATLTGAMLYS LGTSYAGVFG NNEELINKIL QSSKTSNEPV WWLPIINEYR DATA SEQUENCE ATLNSKYADI NQISSSVKAS SIVASLFLKE FVQNTAWAHI DIAGVSWNFK DATA SEQUENCE ARKPKGFGVR LLTEFVLND 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 85 A HA 0.000 nan 4.320 nan 0.000 0.244 85 A C 0.000 177.621 177.584 0.061 0.000 1.274 85 A CA 0.000 52.068 52.037 0.052 0.000 0.836 85 A CB 0.000 19.025 19.000 0.042 0.000 0.831 86 S N 0.964 116.702 115.700 0.063 0.000 2.654 86 S HA 0.741 5.210 4.470 -0.000 0.000 0.283 86 S C 0.548 175.183 174.600 0.058 0.000 1.180 86 S CA 0.202 58.440 58.200 0.063 0.000 1.021 86 S CB 1.426 64.669 63.200 0.072 0.000 1.018 86 S HN 1.435 nan 8.310 nan 0.000 0.532 87 E N 0.650 120.883 120.200 0.055 0.000 2.324 87 E HA 0.397 4.747 4.350 -0.000 0.000 0.271 87 E C -0.046 176.595 176.600 0.069 0.000 1.028 87 E CA -0.660 55.771 56.400 0.052 0.000 0.890 87 E CB 0.326 30.051 29.700 0.042 0.000 1.004 87 E HN 0.683 nan 8.360 nan 0.000 0.431 88 V N 3.467 123.424 119.914 0.072 0.000 2.488 88 V HA 0.512 4.632 4.120 -0.000 0.000 0.277 88 V C -2.179 173.987 176.094 0.119 0.000 1.046 88 V CA -1.662 60.706 62.300 0.114 0.000 0.986 88 V CB 1.230 33.108 31.823 0.091 0.000 0.989 88 V HN 0.766 nan 8.190 nan 0.000 0.475 89 P HA 0.302 nan 4.420 nan 0.000 0.275 89 P C -1.075 176.262 177.300 0.061 0.000 1.228 89 P CA -0.093 63.041 63.100 0.056 0.000 0.786 89 P CB 0.726 32.407 31.700 -0.031 0.000 0.927 90 Q N 0.475 120.278 119.800 0.005 0.000 2.377 90 Q HA 0.320 4.660 4.340 -0.000 0.000 0.271 90 Q C 0.773 176.747 176.000 -0.044 0.000 1.077 90 Q CA -1.002 54.798 55.803 -0.006 0.000 0.820 90 Q CB 2.317 31.051 28.738 -0.006 0.000 1.347 90 Q HN 0.078 nan 8.270 nan 0.000 0.444 91 V N 0.555 120.438 119.914 -0.051 0.000 2.426 91 V HA 0.001 4.120 4.120 -0.000 0.000 0.242 91 V C 0.683 176.753 176.094 -0.041 0.000 1.036 91 V CA 0.753 63.019 62.300 -0.058 0.000 1.044 91 V CB 0.372 32.155 31.823 -0.066 0.000 0.688 91 V HN 0.646 nan 8.190 nan 0.000 0.462 92 V N -2.267 117.625 119.914 -0.036 0.000 3.046 92 V HA 0.582 4.702 4.120 -0.000 0.000 0.316 92 V C 1.092 177.170 176.094 -0.026 0.000 1.104 92 V CA 0.122 62.405 62.300 -0.029 0.000 1.006 92 V CB 1.444 33.249 31.823 -0.029 0.000 1.058 92 V HN 0.248 nan 8.190 nan 0.000 0.440 93 S N 0.892 116.580 115.700 -0.020 0.000 2.481 93 S HA 0.026 4.495 4.470 -0.000 0.000 0.231 93 S C 1.341 175.929 174.600 -0.020 0.000 0.996 93 S CA 1.113 59.303 58.200 -0.016 0.000 0.942 93 S CB -0.760 62.434 63.200 -0.010 0.000 0.768 93 S HN 0.729 nan 8.310 nan 0.000 0.520 94 L N 1.068 122.276 121.223 -0.024 0.000 2.554 94 L HA 0.188 4.528 4.340 -0.000 0.000 0.226 94 L C -0.024 176.810 176.870 -0.059 0.000 1.137 94 L CA -0.009 54.814 54.840 -0.028 0.000 0.863 94 L CB -0.536 41.511 42.059 -0.019 0.000 0.985 94 L HN 0.151 nan 8.230 nan 0.000 0.451 95 D N 2.090 122.450 120.400 -0.066 0.000 2.425 95 D HA 0.126 4.766 4.640 -0.000 0.000 0.247 95 D C -2.045 174.170 176.300 -0.143 0.000 1.147 95 D CA -1.079 52.856 54.000 -0.108 0.000 0.879 95 D CB 0.719 41.483 40.800 -0.060 0.000 1.179 95 D HN -0.024 nan 8.370 nan 0.000 0.456 96 P HA 0.080 nan 4.420 nan 0.000 0.275 96 P C 0.547 177.760 177.300 -0.146 0.000 1.228 96 P CA -0.215 62.706 63.100 -0.298 0.000 0.786 96 P CB 0.580 31.775 31.700 -0.842 0.000 0.927 97 T N -2.984 111.543 114.554 -0.045 0.000 3.085 97 T HA 0.294 4.644 4.350 -0.000 0.000 0.264 97 T C 0.376 175.093 174.700 0.028 0.000 1.019 97 T CA -0.165 61.935 62.100 -0.000 0.000 0.910 97 T CB -0.424 68.454 68.868 0.017 0.000 1.059 97 T HN 0.533 nan 8.240 nan 0.000 0.542 98 S N 0.390 116.128 115.700 0.063 0.000 2.588 98 S HA 0.666 5.136 4.470 -0.000 0.000 0.269 98 S C -1.042 173.664 174.600 0.178 0.000 1.157 98 S CA -1.229 57.025 58.200 0.090 0.000 0.824 98 S CB 0.736 63.983 63.200 0.079 0.000 1.126 98 S HN 0.278 nan 8.310 nan 0.000 0.464 99 I N 2.701 123.352 120.570 0.135 0.000 2.396 99 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 99 I C -2.045 174.104 176.117 0.054 0.000 1.056 99 I CA -1.890 59.496 61.300 0.144 0.000 1.365 99 I CB 0.608 38.640 38.000 0.053 0.000 1.407 99 I HN 0.456 nan 8.210 nan 0.000 0.509 100 P HA 0.216 nan 4.420 nan 0.000 0.271 100 P C -0.832 176.350 177.300 -0.197 0.000 1.220 100 P CA 0.056 63.080 63.100 -0.127 0.000 0.768 100 P CB 0.950 32.481 31.700 -0.281 0.000 0.848 101 I N 2.819 123.275 120.570 -0.190 0.000 2.466 101 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 101 I C 0.458 176.370 176.117 -0.341 0.000 1.026 101 I CA -0.971 60.134 61.300 -0.325 0.000 1.078 101 I CB 1.788 39.528 38.000 -0.434 0.000 1.249 101 I HN 0.234 nan 8.210 nan 0.000 0.429 102 E N 5.810 125.862 120.200 -0.246 0.000 2.194 102 E HA 0.203 4.552 4.350 -0.000 0.000 0.284 102 E C -0.223 176.354 176.600 -0.037 0.000 1.035 102 E CA -0.124 56.225 56.400 -0.084 0.000 0.836 102 E CB 1.149 30.888 29.700 0.065 0.000 1.070 102 E HN 0.450 nan 8.360 nan 0.000 0.401 103 Y N 0.773 121.145 120.300 0.121 0.000 2.314 103 Y HA 0.044 4.594 4.550 -0.000 0.000 0.294 103 Y C 0.731 176.453 175.900 -0.297 0.000 1.139 103 Y CA -0.037 58.028 58.100 -0.059 0.000 1.162 103 Y CB 0.378 38.740 38.460 -0.164 0.000 1.121 103 Y HN 0.245 nan 8.280 nan 0.000 0.529 104 N N 1.471 120.151 118.700 -0.034 0.000 2.439 104 N HA 0.115 4.855 4.740 -0.000 0.000 0.243 104 N C -0.284 175.219 175.510 -0.013 0.000 1.088 104 N CA 0.030 53.002 53.050 -0.130 0.000 0.940 104 N CB 0.590 39.022 38.487 -0.092 0.000 1.180 104 N HN 0.207 nan 8.380 nan 0.000 0.505 105 T N -1.154 113.479 114.554 0.132 0.000 2.952 105 T HA 0.459 4.809 4.350 -0.000 0.000 0.286 105 T C -1.839 172.784 174.700 -0.128 0.000 1.024 105 T CA -2.033 60.098 62.100 0.052 0.000 1.029 105 T CB 2.187 71.158 68.868 0.172 0.000 1.094 105 T HN -0.001 nan 8.240 nan 0.000 0.515 106 P HA -0.024 nan 4.420 nan 0.000 0.219 106 P C 1.624 178.624 177.300 -0.501 0.000 1.146 106 P CA 0.469 63.224 63.100 -0.576 0.000 0.808 106 P CB -0.126 30.782 31.700 -1.320 0.000 0.779 107 I N -0.924 119.294 120.570 -0.587 0.000 2.264 107 I HA -0.230 3.939 4.170 -0.000 0.000 0.248 107 I C 1.900 177.609 176.117 -0.679 0.000 1.111 107 I CA 1.684 62.525 61.300 -0.765 0.000 1.382 107 I CB -1.952 35.286 38.000 -1.270 0.000 1.060 107 I HN 0.161 nan 8.210 nan 0.000 0.418 108 H N 0.622 119.499 119.070 -0.322 0.000 2.545 108 H HA -0.080 4.476 4.556 -0.001 0.000 0.282 108 H C 1.133 176.341 175.328 -0.201 0.000 1.020 108 H CA 1.093 57.010 56.048 -0.218 0.000 1.243 108 H CB -0.006 29.671 29.762 -0.142 0.000 1.377 108 H HN 0.357 nan 8.280 nan 0.000 0.581 109 D N -0.013 120.303 120.400 -0.139 0.000 2.369 109 D HA 0.075 4.715 4.640 -0.000 0.000 0.211 109 D C 0.226 176.428 176.300 -0.164 0.000 1.077 109 D CA 0.086 54.010 54.000 -0.127 0.000 0.842 109 D CB 0.579 41.309 40.800 -0.116 0.000 0.947 109 D HN 0.347 nan 8.370 nan 0.000 0.509 110 I N 1.977 122.424 120.570 -0.206 0.000 2.505 110 I HA -0.009 4.160 4.170 -0.000 0.000 0.287 110 I C 0.560 176.599 176.117 -0.129 0.000 1.104 110 I CA 0.070 61.268 61.300 -0.170 0.000 1.387 110 I CB 0.285 38.190 38.000 -0.158 0.000 1.404 110 I HN -0.452 nan 8.210 nan 0.000 0.528 111 K N 5.937 126.259 120.400 -0.130 0.000 2.349 111 K HA 0.371 4.691 4.320 -0.000 0.000 0.288 111 K C -0.742 175.885 176.600 0.045 0.000 1.058 111 K CA -0.420 55.846 56.287 -0.034 0.000 0.953 111 K CB 1.201 33.704 32.500 0.004 0.000 0.997 111 K HN 0.351 nan 8.250 nan 0.000 0.477 112 V N 4.467 124.414 119.914 0.054 0.000 2.370 112 V HA 0.149 4.268 4.120 -0.000 0.000 0.279 112 V C -0.087 176.008 176.094 0.003 0.000 1.029 112 V CA -0.755 61.589 62.300 0.075 0.000 0.870 112 V CB 1.187 33.090 31.823 0.134 0.000 0.984 112 V HN 0.681 nan 8.190 nan 0.000 0.451 113 Q N 3.374 123.128 119.800 -0.077 0.000 2.342 113 Q HA 0.672 5.011 4.340 -0.000 0.000 0.267 113 Q C -1.291 174.354 176.000 -0.592 0.000 1.038 113 Q CA -0.711 54.889 55.803 -0.339 0.000 0.832 113 Q CB 3.075 31.566 28.738 -0.412 0.000 1.323 113 Q HN 0.529 nan 8.270 nan 0.000 0.448 114 V N 2.975 122.488 119.914 -0.668 0.000 2.444 114 V HA 0.450 4.570 4.120 -0.000 0.000 0.294 114 V C -1.148 174.518 176.094 -0.714 0.000 1.022 114 V CA -0.710 61.242 62.300 -0.579 0.000 0.850 114 V CB 0.677 32.326 31.823 -0.291 0.000 0.992 114 V HN 0.627 nan 8.190 nan 0.000 0.426 115 Y N 1.212 121.285 120.300 -0.380 0.000 2.509 115 Y HA 0.431 4.980 4.550 -0.000 0.000 0.341 115 Y C 0.414 176.175 175.900 -0.231 0.000 1.038 115 Y CA -0.952 56.930 58.100 -0.364 0.000 1.089 115 Y CB 1.396 39.450 38.460 -0.678 0.000 1.241 115 Y HN 0.538 nan 8.280 nan 0.000 0.468 116 D N 2.231 122.678 120.400 0.079 0.000 2.390 116 D HA 0.024 4.664 4.640 -0.000 0.000 0.249 116 D C 0.851 177.259 176.300 0.180 0.000 1.144 116 D CA 0.332 54.370 54.000 0.063 0.000 0.880 116 D CB 1.145 41.975 40.800 0.049 0.000 1.182 116 D HN 0.747 nan 8.370 nan 0.000 0.451 117 I N 3.995 124.652 120.570 0.145 0.000 2.361 117 I HA -0.227 3.942 4.170 -0.000 0.000 0.251 117 I C 2.095 178.286 176.117 0.123 0.000 1.133 117 I CA 0.979 62.395 61.300 0.192 0.000 1.413 117 I CB 0.144 38.218 38.000 0.125 0.000 1.073 117 I HN 0.377 nan 8.210 nan 0.000 0.424 118 K N 0.260 120.709 120.400 0.081 0.000 2.360 118 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 118 K C 1.653 178.288 176.600 0.058 0.000 1.046 118 K CA 1.108 57.428 56.287 0.055 0.000 0.940 118 K CB -0.268 32.256 32.500 0.039 0.000 0.748 118 K HN 0.497 nan 8.250 nan 0.000 0.465 119 G N 0.573 109.424 108.800 0.086 0.000 3.042 119 G HA2 0.275 4.234 3.960 -0.000 0.000 0.212 119 G HA3 0.275 4.234 3.960 -0.000 0.000 0.212 119 G C 0.406 175.343 174.900 0.063 0.000 1.166 119 G CA 0.244 45.391 45.100 0.077 0.000 0.767 119 G HN 0.424 nan 8.290 nan 0.000 0.546 120 G N -1.494 107.335 108.800 0.048 0.000 2.781 120 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.683 120 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.683 120 G C -0.337 174.497 174.900 -0.111 0.000 1.390 120 G CA -0.449 44.639 45.100 -0.020 0.000 0.850 120 G HN 0.689 nan 8.290 nan 0.000 0.557 121 C N 0.524 119.680 119.300 -0.239 0.000 2.411 121 C HA 0.702 5.162 4.460 -0.000 0.000 0.330 121 C C 0.473 175.319 174.990 -0.240 0.000 1.224 121 C CA -0.784 57.897 59.018 -0.562 0.000 1.770 121 C CB 1.287 28.619 27.740 -0.680 0.000 2.297 121 C HN 0.920 nan 8.230 nan 0.000 0.507 122 N N 1.410 120.016 118.700 -0.158 0.000 2.462 122 N HA 0.333 5.073 4.740 -0.000 0.000 0.242 122 N C 0.196 175.693 175.510 -0.022 0.000 1.010 122 N CA -0.439 52.586 53.050 -0.041 0.000 0.939 122 N CB 1.040 39.513 38.487 -0.023 0.000 1.127 122 N HN 0.604 nan 8.380 nan 0.000 0.509 123 V N 1.341 121.243 119.914 -0.019 0.000 3.319 123 V HA 0.223 4.342 4.120 -0.000 0.000 0.317 123 V C 1.248 177.349 176.094 0.012 0.000 1.411 123 V CA 0.271 62.571 62.300 0.001 0.000 1.112 123 V CB -0.566 31.276 31.823 0.032 0.000 1.031 123 V HN 0.728 nan 8.190 nan 0.000 0.448 124 E N 0.965 121.171 120.200 0.011 0.000 2.418 124 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 124 E C 0.501 177.113 176.600 0.019 0.000 1.026 124 E CA 0.887 57.297 56.400 0.017 0.000 0.862 124 E CB 0.269 29.977 29.700 0.015 0.000 0.799 124 E HN 0.570 nan 8.360 nan 0.000 0.518 125 E N -0.389 119.820 120.200 0.014 0.000 2.260 125 E HA 0.497 4.847 4.350 -0.000 0.000 0.266 125 E C -0.180 176.429 176.600 0.015 0.000 0.887 125 E CA 0.123 56.532 56.400 0.015 0.000 0.777 125 E CB 0.890 30.590 29.700 0.001 0.000 1.205 125 E HN 0.568 nan 8.360 nan 0.000 0.414 126 G N 2.300 111.109 108.800 0.015 0.000 2.568 126 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.222 126 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.222 126 G C -0.806 174.076 174.900 -0.030 0.000 1.321 126 G CA -0.314 44.793 45.100 0.013 0.000 0.893 126 G HN 1.351 nan 8.290 nan 0.000 0.569 127 L N 1.073 122.271 121.223 -0.042 0.000 2.265 127 L HA 0.713 5.053 4.340 -0.000 0.000 0.288 127 L C 0.554 177.380 176.870 -0.073 0.000 1.058 127 L CA 0.111 54.894 54.840 -0.095 0.000 0.809 127 L CB 1.159 43.141 42.059 -0.129 0.000 1.179 127 L HN 0.712 nan 8.230 nan 0.000 0.429 128 T N 6.776 121.286 114.554 -0.074 0.000 2.758 128 T HA 0.562 4.911 4.350 -0.000 0.000 0.285 128 T C -0.341 174.306 174.700 -0.088 0.000 0.981 128 T CA -0.269 61.774 62.100 -0.095 0.000 0.965 128 T CB 0.693 69.506 68.868 -0.091 0.000 0.927 128 T HN 0.292 nan 8.240 nan 0.000 0.448 129 I N 3.831 124.306 120.570 -0.159 0.000 2.406 129 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 129 I C -0.658 175.346 176.117 -0.188 0.000 0.999 129 I CA -1.115 60.136 61.300 -0.082 0.000 1.124 129 I CB 1.233 39.181 38.000 -0.086 0.000 1.289 129 I HN 0.565 nan 8.210 nan 0.000 0.441 130 F N 5.953 125.934 119.950 0.052 0.000 2.410 130 F HA 0.418 4.945 4.527 -0.000 0.000 0.349 130 F C 0.381 176.192 175.800 0.018 0.000 1.117 130 F CA -0.507 57.514 58.000 0.036 0.000 1.104 130 F CB 1.057 40.104 39.000 0.077 0.000 1.122 130 F HN 0.136 nan 8.300 nan 0.000 0.483 131 L N 5.600 126.838 121.223 0.024 0.000 2.281 131 L HA 0.619 4.959 4.340 -0.000 0.000 0.285 131 L C -0.320 176.587 176.870 0.062 0.000 1.074 131 L CA -0.820 53.993 54.840 -0.045 0.000 0.817 131 L CB 0.623 42.466 42.059 -0.359 0.000 1.168 131 L HN 0.437 nan 8.230 nan 0.000 0.434 132 V N 0.660 120.649 119.914 0.125 0.000 3.007 132 V HA 0.761 4.880 4.120 -0.000 0.000 0.311 132 V C -0.941 175.207 176.094 0.090 0.000 1.120 132 V CA -0.651 61.714 62.300 0.108 0.000 0.980 132 V CB 2.103 33.981 31.823 0.092 0.000 1.033 132 V HN 0.865 nan 8.190 nan 0.000 0.429 133 N N 1.318 120.052 118.700 0.056 0.000 2.831 133 N HA 0.543 5.282 4.740 -0.000 0.000 0.276 133 N C -1.385 174.141 175.510 0.026 0.000 1.416 133 N CA -0.753 52.328 53.050 0.051 0.000 0.799 133 N CB 1.682 40.200 38.487 0.053 0.000 1.554 133 N HN 0.720 nan 8.380 nan 0.000 0.541 134 N N -0.391 118.324 118.700 0.025 0.000 2.675 134 N HA 0.394 5.134 4.740 -0.000 0.000 0.254 134 N C -3.031 172.489 175.510 0.016 0.000 1.224 134 N CA -1.057 51.999 53.050 0.011 0.000 0.777 134 N CB 1.256 39.743 38.487 0.000 0.000 1.256 134 N HN 0.391 nan 8.380 nan 0.000 0.531 135 P HA 0.205 nan 4.420 nan 0.000 0.267 135 P C 0.934 178.242 177.300 0.014 0.000 1.205 135 P CA 0.705 63.817 63.100 0.020 0.000 0.765 135 P CB 0.745 32.457 31.700 0.021 0.000 0.828 136 G N 1.297 110.107 108.800 0.017 0.000 3.329 136 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 136 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 136 G C 0.546 175.453 174.900 0.012 0.000 1.358 136 G CA 0.298 45.405 45.100 0.013 0.000 0.856 136 G HN 0.847 nan 8.290 nan 0.000 0.551 137 K N 1.636 122.041 120.400 0.008 0.000 2.294 137 K HA 0.682 5.002 4.320 -0.000 0.000 0.288 137 K C 0.375 176.983 176.600 0.014 0.000 1.072 137 K CA 1.614 57.905 56.287 0.007 0.000 0.960 137 K CB -0.973 31.526 32.500 -0.001 0.000 1.043 137 K HN 2.004 nan 8.250 nan 0.000 0.455 138 E N 2.105 122.315 120.200 0.017 0.000 2.415 138 E HA 0.160 4.510 4.350 -0.000 0.000 0.263 138 E C 0.495 177.111 176.600 0.026 0.000 0.995 138 E CA 0.248 56.662 56.400 0.024 0.000 0.915 138 E CB -0.844 28.869 29.700 0.022 0.000 0.951 138 E HN 0.850 nan 8.360 nan 0.000 0.449 139 N N 0.386 119.109 118.700 0.037 0.000 2.696 139 N HA -0.182 4.557 4.740 -0.000 0.000 0.249 139 N C 0.762 176.292 175.510 0.033 0.000 1.090 139 N CA 0.072 53.149 53.050 0.045 0.000 0.716 139 N CB -0.939 37.575 38.487 0.044 0.000 1.020 139 N HN 0.914 nan 8.380 nan 0.000 0.548 140 G N 0.867 109.680 108.800 0.022 0.000 2.667 140 G HA2 0.296 4.256 3.960 -0.000 0.000 0.250 140 G HA3 0.296 4.256 3.960 -0.000 0.000 0.250 140 G C -1.991 172.903 174.900 -0.011 0.000 1.212 140 G CA -0.701 44.400 45.100 0.001 0.000 0.874 140 G HN -0.010 nan 8.290 nan 0.000 0.561 141 P HA 0.081 nan 4.420 nan 0.000 0.269 141 P C -0.001 177.237 177.300 -0.104 0.000 1.215 141 P CA -0.240 62.814 63.100 -0.077 0.000 0.780 141 P CB 0.861 32.503 31.700 -0.096 0.000 0.898 142 V N 3.631 123.445 119.914 -0.167 0.000 2.555 142 V HA 0.140 4.260 4.120 -0.000 0.000 0.286 142 V C 0.814 176.780 176.094 -0.215 0.000 1.044 142 V CA 0.499 62.650 62.300 -0.247 0.000 1.026 142 V CB 0.042 31.564 31.823 -0.500 0.000 0.981 142 V HN 0.548 nan 8.190 nan 0.000 0.480 143 K N 5.420 125.711 120.400 -0.181 0.000 2.541 143 K HA 0.511 4.830 4.320 -0.000 0.000 0.250 143 K C -1.455 175.037 176.600 -0.180 0.000 0.950 143 K CA -0.680 55.504 56.287 -0.172 0.000 0.805 143 K CB 1.366 33.792 32.500 -0.123 0.000 1.166 143 K HN 0.491 nan 8.250 nan 0.000 0.430 144 I N 3.400 123.824 120.570 -0.243 0.000 2.336 144 I HA 0.148 4.317 4.170 -0.000 0.000 0.292 144 I C 0.761 176.745 176.117 -0.221 0.000 0.991 144 I CA -0.215 60.898 61.300 -0.313 0.000 1.227 144 I CB 1.535 39.179 38.000 -0.594 0.000 1.366 144 I HN 0.691 nan 8.210 nan 0.000 0.466 145 S N 3.087 118.708 115.700 -0.133 0.000 2.441 145 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 145 S C 0.958 175.529 174.600 -0.049 0.000 1.043 145 S CA -0.002 58.154 58.200 -0.073 0.000 0.948 145 S CB 0.191 63.373 63.200 -0.029 0.000 0.810 145 S HN 0.713 nan 8.310 nan 0.000 0.504 146 S N 2.375 118.073 115.700 -0.004 0.000 2.558 146 S HA 0.029 4.498 4.470 -0.000 0.000 0.293 146 S C 0.116 174.716 174.600 -0.000 0.000 1.292 146 S CA 0.290 58.516 58.200 0.043 0.000 1.063 146 S CB 0.271 63.579 63.200 0.179 0.000 0.831 146 S HN 0.265 nan 8.310 nan 0.000 0.499 147 K N 2.347 122.745 120.400 -0.003 0.000 2.276 147 K HA 0.354 4.673 4.320 -0.000 0.000 0.283 147 K C -0.252 176.344 176.600 -0.006 0.000 1.044 147 K CA -0.428 55.853 56.287 -0.011 0.000 0.944 147 K CB 0.527 33.021 32.500 -0.011 0.000 1.012 147 K HN 0.518 nan 8.250 nan 0.000 0.472 148 V N -0.258 119.658 119.914 0.004 0.000 2.815 148 V HA 0.381 4.501 4.120 -0.000 0.000 0.314 148 V C 0.430 176.526 176.094 0.003 0.000 1.064 148 V CA -0.388 61.918 62.300 0.010 0.000 0.952 148 V CB 1.252 33.115 31.823 0.068 0.000 1.020 148 V HN 0.802 nan 8.190 nan 0.000 0.439 149 N N 0.952 119.649 118.700 -0.005 0.000 2.413 149 N HA 0.126 4.866 4.740 -0.000 0.000 0.207 149 N C 0.138 175.654 175.510 0.010 0.000 1.206 149 N CA 0.632 53.681 53.050 -0.002 0.000 0.832 149 N CB -0.313 38.168 38.487 -0.010 0.000 1.037 149 N HN 0.952 nan 8.380 nan 0.000 0.467 150 D N -1.733 118.679 120.400 0.021 0.000 2.936 150 D HA 0.371 5.011 4.640 -0.000 0.000 0.238 150 D C 0.874 177.196 176.300 0.036 0.000 1.248 150 D CA -0.045 53.973 54.000 0.030 0.000 0.903 150 D CB 1.747 42.569 40.800 0.037 0.000 1.544 150 D HN 0.168 nan 8.370 nan 0.000 0.543 151 K N 2.541 122.962 120.400 0.034 0.000 2.155 151 K HA -0.108 4.212 4.320 -0.000 0.000 0.203 151 K C 1.725 178.353 176.600 0.046 0.000 1.052 151 K CA 1.161 57.467 56.287 0.032 0.000 0.948 151 K CB -0.401 32.113 32.500 0.025 0.000 0.728 151 K HN 0.454 nan 8.250 nan 0.000 0.448 152 Q N 0.162 119.997 119.800 0.059 0.000 2.046 152 Q HA -0.041 4.299 4.340 -0.000 0.000 0.200 152 Q C 2.281 178.340 176.000 0.098 0.000 0.975 152 Q CA 1.566 57.416 55.803 0.077 0.000 0.836 152 Q CB -0.526 28.264 28.738 0.087 0.000 0.896 152 Q HN 0.398 nan 8.270 nan 0.000 0.428 153 V N 0.759 120.726 119.914 0.089 0.000 2.453 153 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 153 V C 2.394 178.577 176.094 0.147 0.000 1.048 153 V CA 1.457 63.831 62.300 0.123 0.000 1.049 153 V CB -0.528 31.350 31.823 0.092 0.000 0.672 153 V HN 0.259 nan 8.190 nan 0.000 0.457 154 S N -0.391 115.357 115.700 0.081 0.000 2.370 154 S HA -0.264 4.206 4.470 -0.000 0.000 0.226 154 S C 2.052 176.667 174.600 0.024 0.000 1.033 154 S CA 1.923 60.146 58.200 0.038 0.000 1.011 154 S CB -0.239 62.972 63.200 0.018 0.000 0.852 154 S HN 0.658 nan 8.310 nan 0.000 0.457 155 E N 0.758 120.987 120.200 0.047 0.000 2.051 155 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 155 E C 1.669 178.281 176.600 0.020 0.000 0.991 155 E CA 1.204 57.621 56.400 0.028 0.000 0.799 155 E CB -0.508 29.220 29.700 0.046 0.000 0.748 155 E HN 0.509 nan 8.360 nan 0.000 0.449 156 F N 0.466 120.381 119.950 -0.058 0.000 2.161 156 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 156 F C 1.599 177.336 175.800 -0.105 0.000 1.089 156 F CA 1.282 59.231 58.000 -0.085 0.000 1.282 156 F CB -0.029 38.932 39.000 -0.064 0.000 1.010 156 F HN 0.033 nan 8.300 nan 0.000 0.485 157 L N 1.097 122.269 121.223 -0.085 0.000 2.599 157 L HA -0.001 4.339 4.340 -0.000 0.000 0.230 157 L C 0.982 177.702 176.870 -0.249 0.000 1.141 157 L CA -0.112 54.600 54.840 -0.214 0.000 0.877 157 L CB -0.951 41.026 42.059 -0.137 0.000 1.009 157 L HN 0.079 nan 8.230 nan 0.000 0.447 158 K N -0.552 119.717 120.400 -0.218 0.000 2.380 158 K HA -0.041 4.279 4.320 -0.000 0.000 0.267 158 K C 0.075 176.537 176.600 -0.229 0.000 0.990 158 K CA -0.314 55.860 56.287 -0.188 0.000 0.946 158 K CB 0.897 33.313 32.500 -0.140 0.000 0.937 158 K HN -0.133 nan 8.250 nan 0.000 0.491 159 D N 1.799 122.086 120.400 -0.189 0.000 2.158 159 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 159 D C 1.711 177.881 176.300 -0.216 0.000 0.995 159 D CA 1.453 55.337 54.000 -0.193 0.000 0.846 159 D CB -0.124 40.588 40.800 -0.147 0.000 0.941 159 D HN 0.662 nan 8.370 nan 0.000 0.456 160 E N 0.051 120.133 120.200 -0.198 0.000 2.153 160 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 160 E C 1.794 178.231 176.600 -0.272 0.000 0.988 160 E CA 1.008 57.288 56.400 -0.200 0.000 0.811 160 E CB -0.418 29.189 29.700 -0.155 0.000 0.746 160 E HN 0.381 nan 8.360 nan 0.000 0.466 161 N N -0.177 118.327 118.700 -0.328 0.000 2.220 161 N HA -0.042 4.698 4.740 -0.000 0.000 0.182 161 N C 1.685 176.835 175.510 -0.600 0.000 1.023 161 N CA 1.238 54.017 53.050 -0.451 0.000 0.856 161 N CB -0.145 38.046 38.487 -0.494 0.000 0.997 161 N HN 0.124 nan 8.380 nan 0.000 0.429 162 M N 1.111 120.416 119.600 -0.491 0.000 2.296 162 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 162 M C 1.522 177.565 176.300 -0.429 0.000 1.064 162 M CA 0.963 56.012 55.300 -0.419 0.000 1.109 162 M CB -1.003 31.406 32.600 -0.319 0.000 1.396 162 M HN 0.468 nan 8.290 nan 0.000 0.430 163 E N 0.413 120.387 120.200 -0.376 0.000 2.418 163 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 163 E C 1.418 177.812 176.600 -0.342 0.000 1.026 163 E CA 0.724 56.950 56.400 -0.290 0.000 0.862 163 E CB -0.302 29.271 29.700 -0.212 0.000 0.799 163 E HN 0.443 nan 8.360 nan 0.000 0.518 164 K N 0.096 120.149 120.400 -0.579 0.000 2.360 164 K HA 0.006 4.326 4.320 -0.000 0.000 0.201 164 K C -0.003 176.295 176.600 -0.504 0.000 1.046 164 K CA 0.733 56.643 56.287 -0.628 0.000 0.945 164 K CB -0.040 31.926 32.500 -0.890 0.000 0.750 164 K HN 0.129 nan 8.250 nan 0.000 0.464 165 F N 0.537 120.440 119.950 -0.078 0.000 2.523 165 F HA 0.244 4.770 4.527 -0.000 0.000 0.329 165 F C 0.283 176.040 175.800 -0.072 0.000 1.061 165 F CA -1.539 56.447 58.000 -0.024 0.000 0.967 165 F CB 1.210 40.182 39.000 -0.046 0.000 1.218 165 F HN -0.034 nan 8.300 nan 0.000 0.480 166 N N -1.703 117.143 118.700 0.244 0.000 2.469 166 N HA 0.477 5.217 4.740 -0.000 0.000 0.286 166 N C -0.470 175.163 175.510 0.206 0.000 1.275 166 N CA -0.922 52.208 53.050 0.134 0.000 0.790 166 N CB 1.846 40.398 38.487 0.108 0.000 1.446 166 N HN 0.418 nan 8.380 nan 0.000 0.501 167 V N -3.767 116.229 119.914 0.136 0.000 3.514 167 V HA 0.216 4.336 4.120 -0.000 0.000 0.301 167 V C 0.655 176.842 176.094 0.155 0.000 1.346 167 V CA -0.461 61.943 62.300 0.174 0.000 1.156 167 V CB -0.970 30.909 31.823 0.093 0.000 1.029 167 V HN 0.583 nan 8.190 nan 0.000 0.428 168 K N 1.459 121.942 120.400 0.138 0.000 2.504 168 K HA 0.051 4.370 4.320 -0.000 0.000 0.278 168 K C 0.015 176.673 176.600 0.096 0.000 1.025 168 K CA -0.162 56.185 56.287 0.100 0.000 1.093 168 K CB -0.174 32.380 32.500 0.091 0.000 0.873 168 K HN 0.663 nan 8.250 nan 0.000 0.483 169 L N 5.238 126.507 121.223 0.077 0.000 2.700 169 L HA 0.162 4.502 4.340 -0.000 0.000 0.276 169 L C 1.554 178.456 176.870 0.053 0.000 1.200 169 L CA 2.388 57.269 54.840 0.068 0.000 0.951 169 L CB -0.294 41.803 42.059 0.063 0.000 1.226 169 L HN 1.056 nan 8.230 nan 0.000 0.489 170 G N 1.987 110.810 108.800 0.039 0.000 2.217 170 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.246 170 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.246 170 G C 0.577 175.462 174.900 -0.026 0.000 0.990 170 G CA 0.196 45.300 45.100 0.007 0.000 0.627 170 G HN 0.753 nan 8.290 nan 0.000 0.522 171 T N 1.961 116.514 114.554 -0.001 0.000 2.853 171 T HA 0.506 4.856 4.350 -0.000 0.000 0.298 171 T C 0.543 175.118 174.700 -0.209 0.000 0.978 171 T CA 0.984 63.070 62.100 -0.024 0.000 1.152 171 T CB 1.169 70.090 68.868 0.088 0.000 0.914 171 T HN 1.371 nan 8.240 nan 0.000 0.539 172 S N 3.211 118.737 115.700 -0.290 0.000 2.570 172 S HA 0.816 5.286 4.470 -0.000 0.000 0.286 172 S C -1.380 172.963 174.600 -0.428 0.000 1.099 172 S CA -1.109 56.757 58.200 -0.557 0.000 0.913 172 S CB 2.029 65.021 63.200 -0.346 0.000 1.085 172 S HN 0.381 nan 8.310 nan 0.000 0.480 173 K N 1.818 121.910 120.400 -0.514 0.000 2.469 173 K HA 0.518 4.837 4.320 -0.000 0.000 0.254 173 K C -1.350 175.266 176.600 0.027 0.000 0.939 173 K CA -0.505 55.662 56.287 -0.199 0.000 0.812 173 K CB 1.762 34.097 32.500 -0.275 0.000 1.301 173 K HN 1.050 nan 8.250 nan 0.000 0.433 174 H N -0.186 118.813 119.070 -0.118 0.000 3.038 174 H HA 0.541 5.096 4.556 -0.000 0.000 0.362 174 H C -1.576 173.661 175.328 -0.152 0.000 1.167 174 H CA -0.664 55.369 56.048 -0.026 0.000 1.197 174 H CB 0.746 30.418 29.762 -0.150 0.000 1.840 174 H HN 0.322 nan 8.280 nan 0.000 0.540 175 F N 1.503 121.255 119.950 -0.329 0.000 2.540 175 F HA 0.369 4.896 4.527 -0.000 0.000 0.317 175 F C -0.644 174.886 175.800 -0.449 0.000 1.104 175 F CA -0.790 57.010 58.000 -0.333 0.000 0.913 175 F CB 1.556 40.401 39.000 -0.259 0.000 1.170 175 F HN 0.407 nan 8.300 nan 0.000 0.450 176 Y N 4.242 124.477 120.300 -0.108 0.000 2.319 176 Y HA 0.597 5.147 4.550 -0.000 0.000 0.328 176 Y C 0.517 176.306 175.900 -0.186 0.000 1.133 176 Y CA -0.424 57.581 58.100 -0.158 0.000 1.265 176 Y CB 1.010 39.361 38.460 -0.182 0.000 1.218 176 Y HN 0.515 nan 8.280 nan 0.000 0.508 177 M N 0.796 120.298 119.600 -0.163 0.000 2.924 177 M HA 0.611 5.091 4.480 -0.000 0.000 0.271 177 M C -2.119 173.967 176.300 -0.357 0.000 1.280 177 M CA -0.923 54.257 55.300 -0.200 0.000 0.813 177 M CB 2.068 34.603 32.600 -0.108 0.000 1.658 177 M HN 0.289 nan 8.290 nan 0.000 0.467 178 F N 2.440 122.416 119.950 0.044 0.000 2.420 178 F HA 0.424 4.950 4.527 -0.000 0.000 0.342 178 F C 0.620 176.436 175.800 0.026 0.000 1.113 178 F CA -0.294 57.729 58.000 0.038 0.000 1.059 178 F CB 1.055 40.077 39.000 0.038 0.000 1.128 178 F HN 0.740 nan 8.300 nan 0.000 0.475 179 N N 0.839 119.658 118.700 0.199 0.000 2.332 179 N HA 0.017 4.757 4.740 -0.000 0.000 0.282 179 N C 0.459 176.040 175.510 0.119 0.000 1.288 179 N CA -0.218 52.903 53.050 0.120 0.000 0.949 179 N CB 0.143 38.679 38.487 0.082 0.000 1.108 179 N HN 0.429 nan 8.380 nan 0.000 0.542 180 D N -1.361 119.086 120.400 0.077 0.000 2.309 180 D HA -0.083 4.556 4.640 -0.000 0.000 0.212 180 D C 0.107 176.438 176.300 0.051 0.000 0.968 180 D CA 0.942 54.977 54.000 0.058 0.000 0.882 180 D CB -0.287 40.538 40.800 0.041 0.000 0.918 180 D HN 0.500 nan 8.370 nan 0.000 0.503 181 N N 0.013 118.751 118.700 0.062 0.000 2.238 181 N HA -0.009 4.730 4.740 -0.000 0.000 0.222 181 N C 0.161 175.704 175.510 0.055 0.000 1.133 181 N CA -0.022 53.057 53.050 0.047 0.000 0.854 181 N CB 1.197 39.711 38.487 0.045 0.000 1.041 181 N HN -0.116 nan 8.380 nan 0.000 0.510 182 K N -0.636 119.814 120.400 0.082 0.000 3.553 182 K HA -0.176 4.144 4.320 -0.000 0.000 0.303 182 K C 0.108 176.900 176.600 0.320 0.000 1.327 182 K CA 0.723 57.040 56.287 0.050 0.000 0.983 182 K CB -2.408 30.023 32.500 -0.116 0.000 1.275 182 K HN 0.615 nan 8.250 nan 0.000 0.453 183 N N 0.538 119.404 118.700 0.276 0.000 2.374 183 N HA 0.093 4.832 4.740 -0.000 0.000 0.241 183 N C 0.035 175.755 175.510 0.350 0.000 1.262 183 N CA 0.740 53.956 53.050 0.276 0.000 0.880 183 N CB 0.603 39.174 38.487 0.140 0.000 1.105 183 N HN 0.294 nan 8.380 nan 0.000 0.438 184 S N 1.856 117.672 115.700 0.193 0.000 2.473 184 S HA 0.309 4.779 4.470 -0.000 0.000 0.312 184 S C -0.234 174.348 174.600 -0.031 0.000 1.087 184 S CA -0.916 57.243 58.200 -0.068 0.000 1.077 184 S CB -0.660 62.533 63.200 -0.012 0.000 1.065 184 S HN 0.358 nan 8.310 nan 0.000 0.510 185 V N 2.413 122.274 119.914 -0.089 0.000 3.096 185 V HA 1.046 5.165 4.120 -0.000 0.000 0.319 185 V C -0.026 175.958 176.094 -0.184 0.000 1.103 185 V CA -0.924 61.328 62.300 -0.080 0.000 1.016 185 V CB 1.236 33.026 31.823 -0.056 0.000 1.090 185 V HN 0.933 nan 8.190 nan 0.000 0.449 186 A N 1.606 124.267 122.820 -0.265 0.000 2.386 186 A HA 0.900 5.220 4.320 -0.000 0.000 0.311 186 A C -0.951 176.479 177.584 -0.257 0.000 1.068 186 A CA -0.634 51.127 52.037 -0.460 0.000 0.743 186 A CB 1.875 20.382 19.000 -0.821 0.000 1.258 186 A HN 1.382 nan 8.150 nan 0.000 0.429 187 V N 1.017 120.781 119.914 -0.250 0.000 2.789 187 V HA 0.918 5.038 4.120 -0.000 0.000 0.311 187 V C 0.557 176.704 176.094 0.088 0.000 1.073 187 V CA 0.318 62.567 62.300 -0.084 0.000 0.921 187 V CB 1.720 33.467 31.823 -0.126 0.000 1.009 187 V HN 1.609 nan 8.190 nan 0.000 0.426 188 G N 2.182 111.141 108.800 0.266 0.000 2.650 188 G HA2 0.724 4.684 3.960 -0.000 0.000 0.310 188 G HA3 0.724 4.684 3.960 -0.000 0.000 0.310 188 G C -1.885 173.276 174.900 0.435 0.000 1.270 188 G CA -0.182 45.141 45.100 0.373 0.000 0.810 188 G HN 1.190 nan 8.290 nan 0.000 0.493 189 Y N -2.010 118.390 120.300 0.166 0.000 2.670 189 Y HA 0.801 5.351 4.550 -0.000 0.000 0.334 189 Y C -1.522 174.412 175.900 0.057 0.000 1.185 189 Y CA -1.546 56.641 58.100 0.144 0.000 1.053 189 Y CB 1.574 40.126 38.460 0.154 0.000 1.298 189 Y HN 0.588 nan 8.280 nan 0.000 0.459 190 V N 2.130 121.976 119.914 -0.114 0.000 2.577 190 V HA 0.684 4.804 4.120 -0.000 0.000 0.303 190 V C 0.375 176.528 176.094 0.097 0.000 1.042 190 V CA -0.491 61.681 62.300 -0.212 0.000 0.872 190 V CB 1.532 33.290 31.823 -0.110 0.000 0.998 190 V HN 1.181 nan 8.190 nan 0.000 0.423 191 G N 1.931 110.816 108.800 0.142 0.000 2.365 191 G HA2 0.266 4.225 3.960 -0.000 0.000 0.249 191 G HA3 0.266 4.225 3.960 -0.000 0.000 0.249 191 G C 0.482 175.459 174.900 0.128 0.000 1.288 191 G CA -0.069 45.187 45.100 0.261 0.000 0.887 191 G HN 0.893 nan 8.290 nan 0.000 0.524 192 C N 2.244 121.614 119.300 0.116 0.000 3.000 192 C HA 0.634 5.094 4.460 -0.000 0.000 0.286 192 C C 1.652 176.689 174.990 0.077 0.000 1.343 192 C CA 0.179 59.246 59.018 0.081 0.000 1.742 192 C CB -1.532 26.245 27.740 0.062 0.000 2.200 192 C HN 1.409 nan 8.230 nan 0.000 0.621 193 G N 1.963 110.812 108.800 0.083 0.000 2.512 193 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.240 193 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.240 193 G C 0.506 175.441 174.900 0.058 0.000 1.246 193 G CA 0.330 45.472 45.100 0.069 0.000 0.919 193 G HN 0.879 nan 8.290 nan 0.000 0.577 194 S N -1.472 114.257 115.700 0.049 0.000 2.780 194 S HA 0.540 5.010 4.470 -0.000 0.000 0.248 194 S C 0.080 174.703 174.600 0.039 0.000 1.036 194 S CA 0.702 58.926 58.200 0.040 0.000 1.061 194 S CB 0.885 64.105 63.200 0.033 0.000 1.037 194 S HN 1.406 nan 8.310 nan 0.000 0.584 195 V N 2.182 122.123 119.914 0.045 0.000 2.398 195 V HA 0.692 4.812 4.120 -0.000 0.000 0.286 195 V C 1.307 177.432 176.094 0.051 0.000 1.026 195 V CA -0.319 62.008 62.300 0.045 0.000 0.868 195 V CB 0.938 32.789 31.823 0.047 0.000 0.982 195 V HN 0.361 nan 8.190 nan 0.000 0.443 196 A N 3.157 126.005 122.820 0.048 0.000 2.125 196 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 196 A C 0.552 178.174 177.584 0.062 0.000 1.156 196 A CA 0.943 53.011 52.037 0.052 0.000 0.671 196 A CB -0.467 18.560 19.000 0.045 0.000 0.794 196 A HN 0.919 nan 8.150 nan 0.000 0.459 197 D N 0.611 121.047 120.400 0.061 0.000 2.472 197 D HA 0.446 5.086 4.640 -0.000 0.000 0.234 197 D C -0.706 175.637 176.300 0.072 0.000 1.088 197 D CA -0.592 53.448 54.000 0.066 0.000 0.882 197 D CB 0.849 41.683 40.800 0.057 0.000 1.037 197 D HN -0.117 nan 8.370 nan 0.000 0.520 198 L N 2.133 123.408 121.223 0.087 0.000 2.499 198 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 198 L C 1.158 178.078 176.870 0.083 0.000 1.195 198 L CA 0.142 55.039 54.840 0.096 0.000 0.882 198 L CB 0.117 42.251 42.059 0.126 0.000 1.133 198 L HN 0.552 nan 8.230 nan 0.000 0.483 199 S N 3.035 118.781 115.700 0.076 0.000 2.645 199 S HA 0.136 4.605 4.470 -0.000 0.000 0.266 199 S C 1.150 175.777 174.600 0.045 0.000 1.258 199 S CA -0.220 58.012 58.200 0.053 0.000 0.990 199 S CB 1.122 64.361 63.200 0.064 0.000 0.967 199 S HN 0.679 nan 8.310 nan 0.000 0.556 200 E N 1.526 121.688 120.200 -0.064 0.000 2.065 200 E HA -0.270 4.080 4.350 -0.000 0.000 0.201 200 E C 2.028 178.690 176.600 0.105 0.000 1.016 200 E CA 2.023 58.294 56.400 -0.215 0.000 0.818 200 E CB -1.012 28.401 29.700 -0.478 0.000 0.749 200 E HN 0.814 nan 8.360 nan 0.000 0.453 201 A N 1.482 124.368 122.820 0.110 0.000 1.902 201 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 201 A C 1.951 179.631 177.584 0.160 0.000 1.181 201 A CA 1.952 54.086 52.037 0.163 0.000 0.623 201 A CB -0.598 18.485 19.000 0.140 0.000 0.818 201 A HN 0.344 nan 8.150 nan 0.000 0.443 202 D N -0.857 119.624 120.400 0.135 0.000 2.123 202 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 202 D C 1.814 178.211 176.300 0.162 0.000 0.992 202 D CA 1.832 55.909 54.000 0.128 0.000 0.833 202 D CB -0.388 40.478 40.800 0.110 0.000 0.954 202 D HN 0.429 nan 8.370 nan 0.000 0.455 203 M N 1.086 120.822 119.600 0.225 0.000 2.159 203 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 203 M C 2.072 178.532 176.300 0.267 0.000 1.063 203 M CA 1.355 56.834 55.300 0.298 0.000 1.110 203 M CB -0.212 32.652 32.600 0.441 0.000 1.374 203 M HN -0.271 nan 8.290 nan 0.000 0.411 204 K N -0.124 120.454 120.400 0.296 0.000 2.044 204 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 204 K C 2.248 178.906 176.600 0.097 0.000 1.049 204 K CA 1.858 58.249 56.287 0.173 0.000 0.927 204 K CB -0.607 32.017 32.500 0.208 0.000 0.713 204 K HN 0.546 nan 8.250 nan 0.000 0.443 205 R N -0.189 120.374 120.500 0.106 0.000 2.075 205 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 205 R C 2.372 178.697 176.300 0.041 0.000 1.126 205 R CA 1.403 57.542 56.100 0.066 0.000 0.963 205 R CB -0.820 29.522 30.300 0.070 0.000 0.858 205 R HN 0.226 nan 8.270 nan 0.000 0.435 206 V N 0.780 120.733 119.914 0.065 0.000 2.343 206 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 206 V C 2.512 178.619 176.094 0.022 0.000 1.051 206 V CA 1.555 63.885 62.300 0.050 0.000 1.036 206 V CB -0.355 31.521 31.823 0.089 0.000 0.654 206 V HN 0.063 nan 8.190 nan 0.000 0.451 207 V N -0.708 119.216 119.914 0.017 0.000 2.358 207 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 207 V C 2.368 178.384 176.094 -0.130 0.000 1.047 207 V CA 1.453 63.690 62.300 -0.106 0.000 1.035 207 V CB -0.571 31.119 31.823 -0.223 0.000 0.658 207 V HN 0.375 nan 8.190 nan 0.000 0.452 208 L N 0.158 121.336 121.223 -0.075 0.000 2.079 208 L HA -0.144 4.195 4.340 -0.000 0.000 0.210 208 L C 2.690 179.503 176.870 -0.095 0.000 1.081 208 L CA 2.207 57.003 54.840 -0.072 0.000 0.752 208 L CB -1.224 40.823 42.059 -0.020 0.000 0.896 208 L HN 0.410 nan 8.230 nan 0.000 0.433 209 S N -1.170 114.481 115.700 -0.082 0.000 2.387 209 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 209 S C 1.982 176.489 174.600 -0.155 0.000 1.026 209 S CA 0.849 58.988 58.200 -0.101 0.000 0.972 209 S CB -0.257 62.893 63.200 -0.084 0.000 0.814 209 S HN 0.293 nan 8.310 nan 0.000 0.477 210 L N 1.972 123.099 121.223 -0.160 0.000 2.012 210 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 210 L C 2.307 179.001 176.870 -0.295 0.000 1.073 210 L CA 1.812 56.526 54.840 -0.210 0.000 0.748 210 L CB -1.079 40.879 42.059 -0.167 0.000 0.891 210 L HN 0.228 nan 8.230 nan 0.000 0.431 211 V N -0.619 119.107 119.914 -0.314 0.000 2.490 211 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 211 V C 2.465 178.294 176.094 -0.442 0.000 1.061 211 V CA 2.047 64.086 62.300 -0.436 0.000 1.064 211 V CB -0.944 30.653 31.823 -0.376 0.000 0.670 211 V HN 0.569 nan 8.190 nan 0.000 0.461 212 T N -0.088 114.310 114.554 -0.259 0.000 2.746 212 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 212 T C 1.869 176.478 174.700 -0.150 0.000 1.039 212 T CA 1.767 63.778 62.100 -0.149 0.000 1.142 212 T CB -0.271 68.547 68.868 -0.084 0.000 0.866 212 T HN 0.361 nan 8.240 nan 0.000 0.444 213 M N 0.376 119.836 119.600 -0.234 0.000 2.159 213 M HA 0.002 4.481 4.480 -0.000 0.000 0.263 213 M C 2.177 178.321 176.300 -0.260 0.000 1.063 213 M CA 1.510 56.614 55.300 -0.326 0.000 1.110 213 M CB -0.560 31.701 32.600 -0.565 0.000 1.374 213 M HN 0.194 nan 8.290 nan 0.000 0.411 214 L N -1.289 119.757 121.223 -0.295 0.000 2.156 214 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 214 L C 1.939 178.793 176.870 -0.028 0.000 1.095 214 L CA 1.142 55.830 54.840 -0.255 0.000 0.770 214 L CB -0.665 41.054 42.059 -0.567 0.000 0.914 214 L HN 0.389 nan 8.230 nan 0.000 0.439 215 H N -1.534 117.512 119.070 -0.040 0.000 2.563 215 H HA -0.080 4.476 4.556 -0.000 0.000 0.272 215 H C 0.786 176.086 175.328 -0.047 0.000 1.005 215 H CA 0.104 56.132 56.048 -0.034 0.000 1.171 215 H CB 0.355 30.099 29.762 -0.030 0.000 1.351 215 H HN 0.210 nan 8.280 nan 0.000 0.602 216 D N -0.066 120.376 120.400 0.069 0.000 2.513 216 D HA 0.003 4.642 4.640 -0.000 0.000 0.222 216 D C -0.495 175.844 176.300 0.065 0.000 1.210 216 D CA -0.002 54.031 54.000 0.055 0.000 0.825 216 D CB 0.192 41.032 40.800 0.068 0.000 1.037 216 D HN 0.287 nan 8.370 nan 0.000 0.506 217 N N 0.277 119.004 118.700 0.045 0.000 2.362 217 N HA 0.144 4.884 4.740 -0.000 0.000 0.298 217 N C 0.355 175.898 175.510 0.055 0.000 1.048 217 N CA -0.324 52.767 53.050 0.068 0.000 0.858 217 N CB 1.060 39.548 38.487 0.002 0.000 1.218 217 N HN -0.342 nan 8.380 nan 0.000 0.488 218 K N 2.625 123.070 120.400 0.076 0.000 2.413 218 K HA 0.225 4.545 4.320 -0.000 0.000 0.204 218 K C -0.177 176.468 176.600 0.076 0.000 1.041 218 K CA -0.176 56.145 56.287 0.056 0.000 1.082 218 K CB 0.365 32.886 32.500 0.035 0.000 0.871 218 K HN 0.480 nan 8.250 nan 0.000 0.535 219 L N 1.175 122.454 121.223 0.093 0.000 2.397 219 L HA 0.092 4.432 4.340 -0.000 0.000 0.271 219 L C 1.859 178.781 176.870 0.088 0.000 1.148 219 L CA -0.091 54.803 54.840 0.090 0.000 0.825 219 L CB 1.233 43.343 42.059 0.085 0.000 1.117 219 L HN 0.044 nan 8.230 nan 0.000 0.456 220 S N 1.548 117.310 115.700 0.103 0.000 2.447 220 S HA -0.072 4.397 4.470 -0.000 0.000 0.233 220 S C 0.589 175.296 174.600 0.177 0.000 1.006 220 S CA 1.022 59.307 58.200 0.142 0.000 0.957 220 S CB 0.027 63.322 63.200 0.159 0.000 0.773 220 S HN 0.585 nan 8.310 nan 0.000 0.507 221 K N 0.403 120.882 120.400 0.133 0.000 2.427 221 K HA 0.493 4.813 4.320 -0.000 0.000 0.252 221 K C -1.846 174.801 176.600 0.078 0.000 0.931 221 K CA -0.871 55.503 56.287 0.145 0.000 0.793 221 K CB 1.367 33.939 32.500 0.120 0.000 1.211 221 K HN 0.135 nan 8.250 nan 0.000 0.426 222 L N 2.990 124.262 121.223 0.081 0.000 2.325 222 L HA 0.486 4.825 4.340 -0.000 0.000 0.281 222 L C -1.233 175.684 176.870 0.078 0.000 1.004 222 L CA 0.216 55.075 54.840 0.031 0.000 0.823 222 L CB 1.925 43.967 42.059 -0.028 0.000 1.236 222 L HN 0.628 nan 8.230 nan 0.000 0.415 223 T N 4.638 119.227 114.554 0.059 0.000 2.771 223 T HA 0.609 4.959 4.350 -0.000 0.000 0.281 223 T C -0.715 174.008 174.700 0.037 0.000 0.982 223 T CA -0.327 61.840 62.100 0.111 0.000 0.978 223 T CB 1.316 70.270 68.868 0.143 0.000 0.930 223 T HN 0.348 nan 8.240 nan 0.000 0.447 224 V N 4.488 124.473 119.914 0.118 0.000 2.409 224 V HA 0.404 4.524 4.120 -0.000 0.000 0.291 224 V C -0.165 175.987 176.094 0.097 0.000 1.020 224 V CA -0.785 61.543 62.300 0.045 0.000 0.848 224 V CB 1.745 33.663 31.823 0.158 0.000 0.990 224 V HN 0.692 nan 8.190 nan 0.000 0.430 225 V N 5.527 125.351 119.914 -0.150 0.000 2.350 225 V HA 0.402 4.522 4.120 -0.000 0.000 0.276 225 V C -0.381 175.713 176.094 0.001 0.000 1.028 225 V CA -0.407 61.851 62.300 -0.069 0.000 0.860 225 V CB 1.001 32.514 31.823 -0.517 0.000 0.990 225 V HN 0.667 nan 8.190 nan 0.000 0.453 226 F N 3.327 123.245 119.950 -0.053 0.000 2.462 226 F HA 0.308 4.835 4.527 -0.000 0.000 0.354 226 F C 1.365 177.164 175.800 -0.002 0.000 1.192 226 F CA -0.303 57.657 58.000 -0.067 0.000 1.173 226 F CB 0.272 39.176 39.000 -0.159 0.000 1.402 226 F HN 0.546 nan 8.300 nan 0.000 0.595 227 E N 4.509 124.798 120.200 0.149 0.000 2.311 227 E HA 0.191 4.541 4.350 -0.000 0.000 0.198 227 E C 0.053 176.712 176.600 0.098 0.000 1.115 227 E CA 0.069 56.550 56.400 0.135 0.000 1.140 227 E CB 0.099 29.891 29.700 0.153 0.000 1.204 227 E HN 0.599 nan 8.360 nan 0.000 0.446 228 I N -3.435 117.203 120.570 0.114 0.000 3.343 228 I HA 0.488 4.658 4.170 -0.000 0.000 0.315 228 I C -0.738 175.458 176.117 0.132 0.000 1.153 228 I CA -1.529 59.832 61.300 0.101 0.000 0.952 228 I CB 1.865 39.916 38.000 0.084 0.000 1.287 228 I HN -0.311 nan 8.210 nan 0.000 0.472 229 N N 1.269 120.038 118.700 0.116 0.000 2.372 229 N HA 0.701 5.441 4.740 -0.000 0.000 0.285 229 N C -1.208 174.380 175.510 0.130 0.000 1.008 229 N CA -0.466 52.644 53.050 0.099 0.000 0.880 229 N CB 1.921 40.453 38.487 0.076 0.000 1.239 229 N HN 0.711 nan 8.380 nan 0.000 0.484 230 V N 0.022 120.010 119.914 0.124 0.000 2.962 230 V HA 0.710 4.830 4.120 -0.000 0.000 0.313 230 V C -0.572 175.652 176.094 0.216 0.000 1.099 230 V CA -1.078 61.328 62.300 0.178 0.000 0.971 230 V CB 1.690 33.667 31.823 0.257 0.000 1.028 230 V HN 0.716 nan 8.190 nan 0.000 0.430 231 D N 1.785 122.313 120.400 0.215 0.000 2.387 231 D HA 0.322 4.962 4.640 -0.000 0.000 0.251 231 D C 0.854 177.313 176.300 0.265 0.000 1.141 231 D CA -0.383 53.733 54.000 0.192 0.000 0.987 231 D CB 1.088 41.947 40.800 0.098 0.000 1.116 231 D HN 0.608 nan 8.370 nan 0.000 0.491 232 K N -0.185 120.219 120.400 0.007 0.000 2.071 232 K HA -0.254 4.066 4.320 -0.000 0.000 0.217 232 K C 1.649 178.340 176.600 0.151 0.000 1.054 232 K CA 1.995 58.225 56.287 -0.095 0.000 0.937 232 K CB -0.239 32.098 32.500 -0.271 0.000 0.719 232 K HN 0.386 nan 8.250 nan 0.000 0.454 233 N N 0.732 119.495 118.700 0.105 0.000 2.120 233 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 233 N C 1.732 177.368 175.510 0.210 0.000 1.024 233 N CA 0.941 54.066 53.050 0.126 0.000 0.852 233 N CB -0.280 38.251 38.487 0.072 0.000 1.003 233 N HN 0.078 nan 8.380 nan 0.000 0.424 234 L N 0.168 121.530 121.223 0.232 0.000 2.156 234 L HA 0.019 4.358 4.340 -0.000 0.000 0.208 234 L C 1.940 179.057 176.870 0.411 0.000 1.095 234 L CA 1.134 56.151 54.840 0.297 0.000 0.770 234 L CB -0.658 41.544 42.059 0.238 0.000 0.914 234 L HN 0.046 nan 8.230 nan 0.000 0.439 235 F N 0.091 120.189 119.950 0.247 0.000 2.163 235 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 235 F C 2.657 178.595 175.800 0.229 0.000 1.094 235 F CA 1.593 59.711 58.000 0.197 0.000 1.290 235 F CB -0.338 38.728 39.000 0.111 0.000 1.017 235 F HN 0.029 nan 8.300 nan 0.000 0.483 236 R N -0.603 119.936 120.500 0.066 0.000 2.096 236 R HA -0.203 4.136 4.340 -0.000 0.000 0.235 236 R C 2.346 178.629 176.300 -0.029 0.000 1.127 236 R CA 1.704 57.752 56.100 -0.088 0.000 0.968 236 R CB -0.818 29.494 30.300 0.021 0.000 0.861 236 R HN 0.417 nan 8.270 nan 0.000 0.440 237 F N 0.739 120.684 119.950 -0.009 0.000 2.102 237 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 237 F C 1.871 177.659 175.800 -0.021 0.000 1.105 237 F CA 1.604 59.613 58.000 0.015 0.000 1.239 237 F CB -0.712 38.327 39.000 0.065 0.000 0.991 237 F HN 0.043 nan 8.300 nan 0.000 0.474 238 F N 0.902 120.787 119.950 -0.108 0.000 2.043 238 F HA -0.297 4.230 4.527 -0.001 0.000 0.297 238 F C 2.047 177.584 175.800 -0.439 0.000 1.118 238 F CA 2.228 60.102 58.000 -0.211 0.000 1.202 238 F CB -0.842 38.157 39.000 -0.001 0.000 0.965 238 F HN 0.003 nan 8.300 nan 0.000 0.482 239 L N -0.052 120.841 121.223 -0.550 0.000 2.042 239 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 239 L C 2.444 178.693 176.870 -1.035 0.000 1.076 239 L CA 1.993 56.244 54.840 -0.981 0.000 0.749 239 L CB -0.801 40.705 42.059 -0.922 0.000 0.893 239 L HN 0.260 nan 8.230 nan 0.000 0.432 240 E N -0.660 119.205 120.200 -0.557 0.000 2.047 240 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 240 E C 2.066 178.532 176.600 -0.224 0.000 0.987 240 E CA 1.801 58.067 56.400 -0.223 0.000 0.799 240 E CB -0.150 29.516 29.700 -0.056 0.000 0.752 240 E HN 0.420 nan 8.360 nan 0.000 0.449 241 T N 1.754 116.016 114.554 -0.487 0.000 2.746 241 T HA -0.152 4.197 4.350 -0.000 0.000 0.267 241 T C 1.848 176.367 174.700 -0.303 0.000 1.039 241 T CA 0.958 62.801 62.100 -0.428 0.000 1.142 241 T CB -0.249 68.180 68.868 -0.732 0.000 0.866 241 T HN 0.043 nan 8.240 nan 0.000 0.444 242 L N 0.657 121.548 121.223 -0.553 0.000 2.012 242 L HA -0.024 4.315 4.340 -0.000 0.000 0.210 242 L C 1.966 178.755 176.870 -0.135 0.000 1.073 242 L CA 1.836 56.373 54.840 -0.505 0.000 0.748 242 L CB -0.990 40.549 42.059 -0.867 0.000 0.891 242 L HN 0.091 nan 8.230 nan 0.000 0.431 243 F N -0.953 118.842 119.950 -0.259 0.000 2.102 243 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 243 F C 2.586 178.289 175.800 -0.160 0.000 1.105 243 F CA 1.478 59.275 58.000 -0.340 0.000 1.239 243 F CB -1.594 37.030 39.000 -0.626 0.000 0.991 243 F HN 0.234 nan 8.300 nan 0.000 0.474 244 Y N 1.077 121.485 120.300 0.180 0.000 2.200 244 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 244 Y C 2.262 178.240 175.900 0.131 0.000 1.137 244 Y CA 1.597 59.850 58.100 0.256 0.000 1.163 244 Y CB -0.201 38.380 38.460 0.202 0.000 0.988 244 Y HN -0.066 nan 8.280 nan 0.000 0.518 245 E N -0.828 119.431 120.200 0.097 0.000 2.152 245 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 245 E C 1.876 178.523 176.600 0.078 0.000 0.983 245 E CA 0.907 57.316 56.400 0.016 0.000 0.818 245 E CB -0.687 29.019 29.700 0.010 0.000 0.758 245 E HN 0.578 nan 8.360 nan 0.000 0.467 246 Y N 1.076 121.336 120.300 -0.067 0.000 2.220 246 Y HA -0.016 4.534 4.550 -0.001 0.000 0.291 246 Y C 0.984 177.015 175.900 0.218 0.000 1.129 246 Y CA 0.349 58.455 58.100 0.009 0.000 1.161 246 Y CB -0.211 38.232 38.460 -0.027 0.000 0.997 246 Y HN -0.038 nan 8.280 nan 0.000 0.522 247 M N 2.013 121.616 119.600 0.004 0.000 2.269 247 M HA 0.117 4.597 4.480 -0.000 0.000 0.350 247 M C -0.061 176.180 176.300 -0.097 0.000 1.429 247 M CA 0.246 55.434 55.300 -0.188 0.000 1.063 247 M CB -0.242 32.061 32.600 -0.495 0.000 1.841 247 M HN 0.329 nan 8.290 nan 0.000 0.455 248 T N 1.015 115.556 114.554 -0.021 0.000 2.855 248 T HA 0.440 4.790 4.350 -0.000 0.000 0.281 248 T C -0.545 174.175 174.700 0.035 0.000 1.007 248 T CA -1.054 61.032 62.100 -0.022 0.000 1.009 248 T CB 1.149 69.954 68.868 -0.105 0.000 0.983 248 T HN 0.580 nan 8.240 nan 0.000 0.455 249 D N 1.652 122.094 120.400 0.070 0.000 2.393 249 D HA 0.250 4.890 4.640 -0.000 0.000 0.232 249 D C 0.264 176.568 176.300 0.007 0.000 1.192 249 D CA -0.287 53.766 54.000 0.087 0.000 0.882 249 D CB 1.107 41.949 40.800 0.070 0.000 1.038 249 D HN 0.571 nan 8.370 nan 0.000 0.499 250 E N 2.298 122.477 120.200 -0.034 0.000 2.476 250 E HA 0.141 4.491 4.350 -0.000 0.000 0.196 250 E C 1.583 178.094 176.600 -0.148 0.000 1.029 250 E CA 0.030 56.393 56.400 -0.062 0.000 0.896 250 E CB 0.208 29.878 29.700 -0.049 0.000 1.012 250 E HN 0.420 nan 8.360 nan 0.000 0.475 251 R N -0.718 119.607 120.500 -0.293 0.000 2.127 251 R HA -0.078 4.262 4.340 -0.000 0.000 0.238 251 R C 0.674 176.515 176.300 -0.766 0.000 1.134 251 R CA 1.173 56.906 56.100 -0.612 0.000 0.975 251 R CB -0.109 29.593 30.300 -0.996 0.000 0.865 251 R HN 0.173 nan 8.270 nan 0.000 0.447 252 F N 0.227 120.094 119.950 -0.139 0.000 2.639 252 F HA 0.226 4.753 4.527 -0.000 0.000 0.302 252 F C 0.398 176.154 175.800 -0.074 0.000 1.097 252 F CA -0.365 57.548 58.000 -0.145 0.000 1.294 252 F CB 0.446 39.332 39.000 -0.189 0.000 1.027 252 F HN -0.374 nan 8.300 nan 0.000 0.550 253 K N 1.344 121.761 120.400 0.030 0.000 2.143 253 K HA 0.396 4.715 4.320 -0.000 0.000 0.272 253 K C 0.440 177.041 176.600 0.002 0.000 1.001 253 K CA -0.085 56.215 56.287 0.021 0.000 0.915 253 K CB 1.719 34.218 32.500 -0.003 0.000 1.047 253 K HN 0.159 nan 8.250 nan 0.000 0.458 261 M N -1.482 118.085 119.600 -0.055 0.000 2.664 261 M HA 0.877 5.357 4.480 -0.000 0.000 0.279 261 M C -1.431 174.813 176.300 -0.092 0.000 1.275 261 M CA -0.806 54.455 55.300 -0.064 0.000 0.829 261 M CB 1.614 34.173 32.600 -0.068 0.000 1.727 261 M HN 0.059 nan 8.290 nan 0.000 0.459 262 E N -0.083 120.072 120.200 -0.075 0.000 2.317 262 E HA 0.516 4.865 4.350 -0.000 0.000 0.270 262 E C -1.866 174.697 176.600 -0.061 0.000 0.885 262 E CA -0.759 55.609 56.400 -0.053 0.000 0.760 262 E CB 2.047 31.762 29.700 0.024 0.000 1.227 262 E HN 0.631 nan 8.360 nan 0.000 0.434 263 Y N 1.856 122.159 120.300 0.005 0.000 2.442 263 Y HA 0.085 4.635 4.550 -0.000 0.000 0.330 263 Y C 0.888 176.839 175.900 0.086 0.000 1.129 263 Y CA -0.288 57.821 58.100 0.015 0.000 1.365 263 Y CB 0.121 38.485 38.460 -0.160 0.000 1.233 263 Y HN 0.362 nan 8.280 nan 0.000 0.529 264 I N 1.184 121.957 120.570 0.338 0.000 2.892 264 I HA 0.075 4.244 4.170 -0.000 0.000 0.287 264 I C 0.663 176.853 176.117 0.121 0.000 1.205 264 I CA -0.430 60.990 61.300 0.200 0.000 1.409 264 I CB 0.806 38.907 38.000 0.169 0.000 1.367 264 I HN 0.521 nan 8.210 nan 0.000 0.597 265 K N 2.337 122.762 120.400 0.042 0.000 2.354 265 K HA 0.222 4.541 4.320 -0.000 0.000 0.194 265 K C -0.099 176.250 176.600 -0.419 0.000 1.045 265 K CA 0.515 56.691 56.287 -0.185 0.000 1.026 265 K CB 0.113 32.483 32.500 -0.217 0.000 0.866 265 K HN 0.669 nan 8.250 nan 0.000 0.530 266 H N 0.038 119.150 119.070 0.069 0.000 2.667 266 H HA 0.290 4.846 4.556 -0.000 0.000 0.353 266 H C -1.220 174.157 175.328 0.082 0.000 1.072 266 H CA -1.019 55.071 56.048 0.070 0.000 1.214 266 H CB 2.130 31.935 29.762 0.073 0.000 1.600 266 H HN -0.128 nan 8.280 nan 0.000 0.527 267 L N 2.236 123.571 121.223 0.185 0.000 2.343 267 L HA 0.591 4.931 4.340 -0.000 0.000 0.278 267 L C -0.215 176.751 176.870 0.160 0.000 0.996 267 L CA -0.226 54.714 54.840 0.167 0.000 0.831 267 L CB 1.480 43.645 42.059 0.176 0.000 1.232 267 L HN 0.734 nan 8.230 nan 0.000 0.413 268 G N 4.152 113.057 108.800 0.175 0.000 2.371 268 G HA2 0.619 4.579 3.960 -0.000 0.000 0.326 268 G HA3 0.619 4.579 3.960 -0.000 0.000 0.326 268 G C -1.504 173.488 174.900 0.153 0.000 1.127 268 G CA -0.499 44.697 45.100 0.161 0.000 0.885 268 G HN 0.495 nan 8.290 nan 0.000 0.477 269 V N 2.176 122.102 119.914 0.019 0.000 2.487 269 V HA 0.341 4.460 4.120 -0.000 0.000 0.298 269 V C -1.243 174.802 176.094 -0.082 0.000 1.028 269 V CA -0.785 61.574 62.300 0.099 0.000 0.860 269 V CB 1.366 33.270 31.823 0.135 0.000 0.991 269 V HN 0.675 nan 8.190 nan 0.000 0.427 270 Y N 5.389 125.753 120.300 0.107 0.000 2.335 270 Y HA 0.744 5.294 4.550 -0.000 0.000 0.339 270 Y C 0.067 175.929 175.900 -0.063 0.000 0.987 270 Y CA -0.278 57.852 58.100 0.051 0.000 1.140 270 Y CB 1.636 40.133 38.460 0.063 0.000 1.173 270 Y HN 0.581 nan 8.280 nan 0.000 0.486 271 I N 2.417 122.909 120.570 -0.130 0.000 3.006 271 I HA 0.360 4.529 4.170 -0.000 0.000 0.306 271 I C -1.192 174.751 176.117 -0.290 0.000 1.250 271 I CA -0.939 60.135 61.300 -0.376 0.000 0.996 271 I CB 1.868 39.237 38.000 -1.052 0.000 1.261 271 I HN 0.531 nan 8.210 nan 0.000 0.442 272 N N 3.373 121.923 118.700 -0.250 0.000 2.492 272 N HA 0.214 4.954 4.740 -0.000 0.000 0.260 272 N C -0.558 174.874 175.510 -0.130 0.000 1.215 272 N CA 0.794 53.766 53.050 -0.130 0.000 0.923 272 N CB 0.010 38.463 38.487 -0.058 0.000 1.092 272 N HN 0.660 nan 8.380 nan 0.000 0.448 273 N N 0.855 119.542 118.700 -0.021 0.000 2.727 273 N HA -0.244 4.495 4.740 -0.000 0.000 0.251 273 N C 0.408 175.972 175.510 0.089 0.000 1.040 273 N CA 0.333 53.416 53.050 0.056 0.000 0.712 273 N CB -0.901 37.667 38.487 0.135 0.000 0.912 273 N HN 0.624 nan 8.380 nan 0.000 0.545 274 A N 0.304 123.100 122.820 -0.040 0.000 1.917 274 A HA -0.245 4.074 4.320 -0.000 0.000 0.219 274 A C 1.866 179.434 177.584 -0.027 0.000 1.182 274 A CA 1.873 53.846 52.037 -0.107 0.000 0.633 274 A CB -0.127 18.793 19.000 -0.134 0.000 0.819 274 A HN 0.498 nan 8.150 nan 0.000 0.448 275 D N -0.560 119.832 120.400 -0.013 0.000 2.221 275 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 275 D C 2.122 178.406 176.300 -0.026 0.000 0.982 275 D CA 1.953 55.941 54.000 -0.020 0.000 0.857 275 D CB -0.405 40.386 40.800 -0.015 0.000 0.934 275 D HN 0.689 nan 8.370 nan 0.000 0.475 276 T N -2.708 111.829 114.554 -0.027 0.000 3.067 276 T HA -0.066 4.283 4.350 -0.000 0.000 0.257 276 T C 1.829 176.402 174.700 -0.211 0.000 1.105 276 T CA 0.311 62.335 62.100 -0.126 0.000 1.104 276 T CB -0.396 68.361 68.868 -0.185 0.000 0.925 276 T HN 0.143 nan 8.240 nan 0.000 0.498 277 Y N 1.243 121.433 120.300 -0.183 0.000 2.490 277 Y HA 0.385 4.934 4.550 -0.000 0.000 0.285 277 Y C 2.527 178.376 175.900 -0.085 0.000 1.117 277 Y CA -0.024 57.939 58.100 -0.229 0.000 1.262 277 Y CB 0.034 38.091 38.460 -0.673 0.000 1.043 277 Y HN 0.111 nan 8.280 nan 0.000 0.553 278 K N 0.812 121.232 120.400 0.033 0.000 2.113 278 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 278 K C 1.742 178.370 176.600 0.046 0.000 1.047 278 K CA 2.042 58.346 56.287 0.028 0.000 0.928 278 K CB -0.185 32.302 32.500 -0.021 0.000 0.716 278 K HN 0.573 nan 8.250 nan 0.000 0.446 279 E N 0.408 120.618 120.200 0.017 0.000 2.482 279 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 279 E C 1.007 177.617 176.600 0.017 0.000 1.047 279 E CA 0.604 57.007 56.400 0.005 0.000 0.869 279 E CB 0.165 29.849 29.700 -0.026 0.000 0.836 279 E HN 0.207 nan 8.360 nan 0.000 0.520 280 E N 0.910 121.153 120.200 0.072 0.000 2.371 280 E HA -0.026 4.323 4.350 -0.000 0.000 0.194 280 E C 2.148 178.787 176.600 0.065 0.000 1.012 280 E CA 0.339 56.783 56.400 0.073 0.000 0.860 280 E CB 0.201 30.021 29.700 0.199 0.000 0.811 280 E HN 0.198 nan 8.360 nan 0.000 0.502 281 V N 2.151 122.136 119.914 0.119 0.000 2.220 281 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 281 V C 2.231 178.388 176.094 0.105 0.000 1.049 281 V CA 1.853 64.224 62.300 0.118 0.000 1.003 281 V CB -0.331 31.575 31.823 0.139 0.000 0.634 281 V HN 0.165 nan 8.190 nan 0.000 0.444 282 E N -0.069 120.177 120.200 0.076 0.000 2.150 282 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 282 E C 2.120 178.749 176.600 0.049 0.000 0.985 282 E CA 0.993 57.438 56.400 0.075 0.000 0.814 282 E CB -0.316 29.414 29.700 0.051 0.000 0.752 282 E HN 0.584 nan 8.360 nan 0.000 0.466 283 K N 0.862 121.243 120.400 -0.033 0.000 2.063 283 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 283 K C 2.067 178.546 176.600 -0.202 0.000 1.048 283 K CA 1.316 57.496 56.287 -0.178 0.000 0.928 283 K CB -0.061 32.270 32.500 -0.282 0.000 0.713 283 K HN 0.067 nan 8.250 nan 0.000 0.442 284 A N 1.323 124.098 122.820 -0.075 0.000 1.902 284 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 284 A C 2.142 179.904 177.584 0.298 0.000 1.181 284 A CA 1.433 53.487 52.037 0.029 0.000 0.623 284 A CB -0.529 18.419 19.000 -0.086 0.000 0.818 284 A HN 0.347 nan 8.150 nan 0.000 0.443 285 R N -0.526 120.182 120.500 0.346 0.000 2.115 285 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 285 R C 1.838 178.431 176.300 0.488 0.000 1.111 285 R CA 1.453 57.807 56.100 0.424 0.000 0.976 285 R CB -0.221 30.197 30.300 0.198 0.000 0.870 285 R HN 0.369 nan 8.270 nan 0.000 0.445 286 V N -0.108 120.047 119.914 0.402 0.000 2.407 286 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 286 V C 1.806 178.290 176.094 0.650 0.000 1.041 286 V CA 1.292 63.905 62.300 0.522 0.000 1.040 286 V CB -0.543 31.480 31.823 0.333 0.000 0.671 286 V HN 0.283 nan 8.190 nan 0.000 0.455 287 Y N -0.261 120.213 120.300 0.291 0.000 2.293 287 Y HA -0.207 4.342 4.550 -0.000 0.000 0.291 287 Y C 2.465 178.496 175.900 0.219 0.000 1.137 287 Y CA 1.058 59.285 58.100 0.212 0.000 1.202 287 Y CB -1.150 37.393 38.460 0.139 0.000 0.990 287 Y HN 0.511 nan 8.280 nan 0.000 0.537 288 Y N -0.629 119.903 120.300 0.387 0.000 2.145 288 Y HA -0.290 4.260 4.550 -0.001 0.000 0.286 288 Y C 2.261 178.359 175.900 0.329 0.000 1.145 288 Y CA 1.597 59.893 58.100 0.327 0.000 1.148 288 Y CB -1.190 37.501 38.460 0.384 0.000 0.981 288 Y HN 0.022 nan 8.280 nan 0.000 0.507 289 F N 1.139 120.851 119.950 -0.397 0.000 2.206 289 F HA 0.117 4.643 4.527 -0.000 0.000 0.298 289 F C 2.434 178.052 175.800 -0.303 0.000 1.090 289 F CA 1.412 59.052 58.000 -0.601 0.000 1.323 289 F CB -0.866 37.946 39.000 -0.314 0.000 1.028 289 F HN 0.132 nan 8.300 nan 0.000 0.492 290 G N -0.360 108.401 108.800 -0.064 0.000 2.556 290 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.220 290 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.220 290 G C 1.641 176.461 174.900 -0.133 0.000 1.156 290 G CA 1.748 46.846 45.100 -0.003 0.000 0.766 290 G HN 0.396 nan 8.290 nan 0.000 0.583 291 T N -0.646 113.835 114.554 -0.121 0.000 2.812 291 T HA -0.077 4.272 4.350 -0.000 0.000 0.264 291 T C 2.013 176.684 174.700 -0.048 0.000 1.042 291 T CA 1.177 63.198 62.100 -0.132 0.000 1.140 291 T CB -0.283 68.473 68.868 -0.187 0.000 0.870 291 T HN 0.316 nan 8.240 nan 0.000 0.445 292 Y N 0.874 121.043 120.300 -0.219 0.000 2.200 292 Y HA -0.138 4.412 4.550 -0.001 0.000 0.290 292 Y C 2.226 177.902 175.900 -0.373 0.000 1.137 292 Y CA 0.662 58.655 58.100 -0.178 0.000 1.163 292 Y CB -0.638 37.557 38.460 -0.441 0.000 0.988 292 Y HN 0.299 nan 8.280 nan 0.000 0.518 293 Y N 0.283 120.053 120.300 -0.884 0.000 2.145 293 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 293 Y C 2.439 178.034 175.900 -0.508 0.000 1.145 293 Y CA 1.821 59.365 58.100 -0.926 0.000 1.148 293 Y CB -0.906 36.853 38.460 -1.169 0.000 0.981 293 Y HN 0.120 nan 8.280 nan 0.000 0.507 294 A N -0.692 121.919 122.820 -0.348 0.000 1.883 294 A HA -0.250 4.069 4.320 -0.000 0.000 0.217 294 A C 2.515 179.932 177.584 -0.279 0.000 1.186 294 A CA 2.133 54.010 52.037 -0.267 0.000 0.624 294 A CB -1.572 17.368 19.000 -0.100 0.000 0.822 294 A HN 0.530 nan 8.150 nan 0.000 0.444 295 S N -0.802 114.762 115.700 -0.227 0.000 2.387 295 S HA -0.260 4.210 4.470 -0.000 0.000 0.230 295 S C 2.121 176.546 174.600 -0.292 0.000 1.035 295 S CA 1.880 59.986 58.200 -0.157 0.000 1.014 295 S CB -0.394 62.819 63.200 0.022 0.000 0.836 295 S HN 0.683 nan 8.310 nan 0.000 0.466 296 Q N -0.192 119.285 119.800 -0.538 0.000 2.230 296 Q HA 0.072 4.412 4.340 -0.000 0.000 0.202 296 Q C 2.129 177.929 176.000 -0.333 0.000 0.963 296 Q CA 1.010 56.511 55.803 -0.503 0.000 0.866 296 Q CB -0.112 28.213 28.738 -0.689 0.000 0.931 296 Q HN 0.544 nan 8.270 nan 0.000 0.452 297 L N -0.287 120.698 121.223 -0.397 0.000 2.131 297 L HA -0.088 4.251 4.340 -0.000 0.000 0.206 297 L C 2.115 178.914 176.870 -0.118 0.000 1.087 297 L CA 0.681 55.355 54.840 -0.278 0.000 0.767 297 L CB -0.186 41.659 42.059 -0.356 0.000 0.917 297 L HN 0.208 nan 8.230 nan 0.000 0.441 298 I N 0.141 120.665 120.570 -0.077 0.000 2.286 298 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 298 I C 2.701 178.900 176.117 0.136 0.000 1.104 298 I CA 1.093 62.428 61.300 0.058 0.000 1.397 298 I CB -0.339 37.741 38.000 0.133 0.000 1.072 298 I HN 0.146 nan 8.210 nan 0.000 0.417 299 A N 0.908 123.794 122.820 0.109 0.000 2.066 299 A HA 0.210 4.530 4.320 -0.000 0.000 0.218 299 A C 1.549 179.147 177.584 0.023 0.000 1.157 299 A CA 0.647 52.776 52.037 0.154 0.000 0.670 299 A CB -0.632 18.431 19.000 0.104 0.000 0.804 299 A HN 0.322 nan 8.150 nan 0.000 0.453 300 A N 1.303 124.125 122.820 0.004 0.000 2.522 300 A HA 0.474 4.794 4.320 -0.000 0.000 0.256 300 A C -2.269 175.243 177.584 -0.120 0.000 1.086 300 A CA -1.012 50.986 52.037 -0.064 0.000 0.763 300 A CB -0.391 18.646 19.000 0.061 0.000 1.024 300 A HN 0.274 nan 8.150 nan 0.000 0.502 301 P HA 0.116 nan 4.420 nan 0.000 0.271 301 P C 0.854 178.150 177.300 -0.007 0.000 1.233 301 P CA -0.146 62.878 63.100 -0.126 0.000 0.789 301 P CB 0.535 32.129 31.700 -0.176 0.000 0.951 302 S N 0.501 116.193 115.700 -0.012 0.000 2.474 302 S HA -0.114 4.355 4.470 -0.000 0.000 0.235 302 S C 1.414 175.977 174.600 -0.062 0.000 0.997 302 S CA 1.047 59.241 58.200 -0.010 0.000 0.949 302 S CB -0.884 62.313 63.200 -0.005 0.000 0.766 302 S HN 0.641 nan 8.310 nan 0.000 0.517 303 N N 0.167 118.834 118.700 -0.055 0.000 2.494 303 N HA -0.059 4.681 4.740 -0.000 0.000 0.182 303 N C 0.984 176.388 175.510 -0.176 0.000 1.076 303 N CA 0.804 53.793 53.050 -0.102 0.000 0.908 303 N CB -0.435 37.974 38.487 -0.131 0.000 0.967 303 N HN 0.458 nan 8.380 nan 0.000 0.449 304 Y N 0.278 120.532 120.300 -0.078 0.000 2.353 304 Y HA 0.250 4.799 4.550 -0.000 0.000 0.294 304 Y C 0.987 176.847 175.900 -0.067 0.000 1.135 304 Y CA 0.087 58.170 58.100 -0.029 0.000 1.176 304 Y CB 0.150 38.642 38.460 0.053 0.000 1.124 304 Y HN 0.107 nan 8.280 nan 0.000 0.537 305 C N 3.208 122.553 119.300 0.075 0.000 2.206 305 C HA 0.497 4.957 4.460 -0.000 0.000 0.324 305 C C -0.326 174.595 174.990 -0.115 0.000 1.120 305 C CA -0.831 58.178 59.018 -0.014 0.000 1.546 305 C CB -2.538 25.205 27.740 0.005 0.000 2.023 305 C HN 0.566 nan 8.230 nan 0.000 0.448 306 N N 4.285 122.842 118.700 -0.238 0.000 2.545 306 N HA 0.661 5.401 4.740 -0.000 0.000 0.289 306 N C -2.494 172.859 175.510 -0.262 0.000 1.279 306 N CA -1.672 51.122 53.050 -0.427 0.000 0.824 306 N CB 0.735 38.515 38.487 -1.179 0.000 1.395 306 N HN 0.048 nan 8.380 nan 0.000 0.526 307 P HA -0.159 nan 4.420 nan 0.000 0.216 307 P C 1.093 178.384 177.300 -0.014 0.000 1.150 307 P CA 0.972 64.051 63.100 -0.035 0.000 0.843 307 P CB 0.176 31.912 31.700 0.060 0.000 0.787 308 V N 0.136 120.032 119.914 -0.030 0.000 2.283 308 V HA -0.208 3.911 4.120 -0.000 0.000 0.243 308 V C 2.562 178.656 176.094 0.000 0.000 1.039 308 V CA 2.452 64.767 62.300 0.024 0.000 1.016 308 V CB -1.682 30.187 31.823 0.075 0.000 0.650 308 V HN 0.256 nan 8.190 nan 0.000 0.449 309 S N 0.273 115.945 115.700 -0.047 0.000 2.383 309 S HA -0.149 4.320 4.470 -0.000 0.000 0.227 309 S C 2.005 176.599 174.600 -0.009 0.000 1.026 309 S CA 1.618 59.805 58.200 -0.021 0.000 0.981 309 S CB -0.616 62.564 63.200 -0.033 0.000 0.818 309 S HN 0.474 nan 8.310 nan 0.000 0.472 310 L N 2.292 123.497 121.223 -0.029 0.000 2.093 310 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 310 L C 2.587 179.463 176.870 0.009 0.000 1.085 310 L CA 1.735 56.565 54.840 -0.017 0.000 0.755 310 L CB -0.546 41.492 42.059 -0.034 0.000 0.904 310 L HN 0.551 nan 8.230 nan 0.000 0.435 311 S N -0.777 114.935 115.700 0.020 0.000 2.387 311 S HA -0.119 4.350 4.470 -0.000 0.000 0.226 311 S C 1.764 176.384 174.600 0.034 0.000 1.026 311 S CA 0.953 59.178 58.200 0.041 0.000 0.972 311 S CB -0.738 62.503 63.200 0.069 0.000 0.814 311 S HN 0.482 nan 8.310 nan 0.000 0.477 312 N N 3.026 121.744 118.700 0.030 0.000 2.043 312 N HA -0.028 4.712 4.740 -0.000 0.000 0.193 312 N C 2.066 177.589 175.510 0.021 0.000 1.037 312 N CA 1.671 54.733 53.050 0.021 0.000 0.851 312 N CB -1.161 37.345 38.487 0.031 0.000 1.027 312 N HN 0.562 nan 8.380 nan 0.000 0.422 313 A N 1.123 123.972 122.820 0.048 0.000 1.903 313 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 313 A C 2.400 180.047 177.584 0.106 0.000 1.191 313 A CA 2.595 54.690 52.037 0.098 0.000 0.638 313 A CB -1.083 17.970 19.000 0.088 0.000 0.823 313 A HN 0.378 nan 8.150 nan 0.000 0.451 314 A N -0.890 121.971 122.820 0.068 0.000 1.877 314 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 314 A C 2.255 179.813 177.584 -0.042 0.000 1.186 314 A CA 1.824 53.894 52.037 0.055 0.000 0.620 314 A CB -1.021 18.013 19.000 0.057 0.000 0.822 314 A HN 0.463 nan 8.150 nan 0.000 0.443 315 V N 0.185 120.026 119.914 -0.121 0.000 2.332 315 V HA -0.297 3.822 4.120 -0.000 0.000 0.248 315 V C 2.569 178.458 176.094 -0.342 0.000 1.055 315 V CA 2.423 64.486 62.300 -0.395 0.000 1.038 315 V CB -0.713 30.878 31.823 -0.387 0.000 0.651 315 V HN 0.792 nan 8.190 nan 0.000 0.450 316 E N -0.193 119.924 120.200 -0.139 0.000 2.077 316 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 316 E C 2.227 178.789 176.600 -0.063 0.000 0.989 316 E CA 1.485 57.840 56.400 -0.075 0.000 0.800 316 E CB -0.151 29.564 29.700 0.025 0.000 0.746 316 E HN 0.428 nan 8.360 nan 0.000 0.452 317 L N 1.194 122.421 121.223 0.006 0.000 2.013 317 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 317 L C 2.350 179.180 176.870 -0.066 0.000 1.073 317 L CA 2.426 57.256 54.840 -0.017 0.000 0.753 317 L CB -0.885 41.176 42.059 0.004 0.000 0.890 317 L HN 0.211 nan 8.230 nan 0.000 0.432 318 A N -1.212 121.554 122.820 -0.091 0.000 1.873 318 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 318 A C 2.185 179.763 177.584 -0.010 0.000 1.193 318 A CA 2.137 54.146 52.037 -0.046 0.000 0.629 318 A CB -0.759 18.207 19.000 -0.057 0.000 0.826 318 A HN 0.665 nan 8.150 nan 0.000 0.447 319 Q N -0.437 119.308 119.800 -0.092 0.000 2.030 319 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 319 Q C 2.168 178.149 176.000 -0.032 0.000 0.986 319 Q CA 2.044 57.837 55.803 -0.016 0.000 0.843 319 Q CB -0.242 28.463 28.738 -0.055 0.000 0.904 319 Q HN 0.660 nan 8.270 nan 0.000 0.420 320 K N 0.276 120.625 120.400 -0.086 0.000 2.103 320 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 320 K C 1.803 178.360 176.600 -0.071 0.000 1.048 320 K CA 1.031 57.249 56.287 -0.114 0.000 0.930 320 K CB -0.071 32.306 32.500 -0.205 0.000 0.716 320 K HN 0.212 nan 8.250 nan 0.000 0.444 321 L N 0.691 121.888 121.223 -0.044 0.000 2.567 321 L HA 0.051 4.390 4.340 -0.000 0.000 0.225 321 L C -0.255 176.625 176.870 0.017 0.000 1.119 321 L CA -0.122 54.701 54.840 -0.029 0.000 0.871 321 L CB -0.250 41.783 42.059 -0.043 0.000 1.036 321 L HN 0.250 nan 8.230 nan 0.000 0.459 322 N N 0.967 119.687 118.700 0.034 0.000 2.738 322 N HA -0.161 4.578 4.740 -0.000 0.000 0.249 322 N C -0.411 175.154 175.510 0.092 0.000 1.047 322 N CA 0.685 53.772 53.050 0.062 0.000 0.707 322 N CB -1.510 37.000 38.487 0.038 0.000 0.937 322 N HN 0.305 nan 8.380 nan 0.000 0.545 323 L N 0.293 121.591 121.223 0.126 0.000 2.379 323 L HA 0.226 4.566 4.340 -0.000 0.000 0.269 323 L C 1.130 178.116 176.870 0.193 0.000 1.084 323 L CA -0.534 54.402 54.840 0.160 0.000 0.802 323 L CB 1.005 43.161 42.059 0.162 0.000 1.175 323 L HN -0.044 nan 8.230 nan 0.000 0.448 324 E N 0.378 120.656 120.200 0.130 0.000 2.383 324 E HA 0.249 4.599 4.350 -0.000 0.000 0.264 324 E C -1.190 175.510 176.600 0.167 0.000 1.050 324 E CA -0.006 56.428 56.400 0.056 0.000 0.896 324 E CB 1.251 30.943 29.700 -0.014 0.000 0.982 324 E HN 0.432 nan 8.360 nan 0.000 0.424 325 Y N -1.429 118.893 120.300 0.037 0.000 2.552 325 Y HA 0.722 5.272 4.550 -0.000 0.000 0.337 325 Y C -0.781 175.149 175.900 0.050 0.000 1.094 325 Y CA -1.377 56.761 58.100 0.064 0.000 1.028 325 Y CB 1.611 40.120 38.460 0.082 0.000 1.321 325 Y HN 0.456 nan 8.280 nan 0.000 0.456 326 K N 3.448 123.998 120.400 0.250 0.000 2.513 326 K HA 0.628 4.948 4.320 -0.000 0.000 0.251 326 K C -2.097 174.694 176.600 0.319 0.000 0.939 326 K CA -0.681 55.726 56.287 0.201 0.000 0.793 326 K CB 1.491 34.051 32.500 0.100 0.000 1.241 326 K HN 0.751 nan 8.250 nan 0.000 0.431 327 I N 5.777 126.520 120.570 0.287 0.000 2.339 327 I HA 0.304 4.473 4.170 -0.000 0.000 0.290 327 I C -0.279 175.973 176.117 0.225 0.000 0.994 327 I CA -0.712 60.746 61.300 0.264 0.000 1.191 327 I CB 1.104 39.233 38.000 0.215 0.000 1.343 327 I HN 0.596 nan 8.210 nan 0.000 0.458 328 L N 5.506 126.882 121.223 0.254 0.000 2.312 328 L HA 0.619 4.958 4.340 -0.000 0.000 0.281 328 L C 0.937 177.912 176.870 0.175 0.000 1.070 328 L CA -0.317 54.629 54.840 0.178 0.000 0.805 328 L CB 1.409 43.526 42.059 0.096 0.000 1.174 328 L HN 0.683 nan 8.230 nan 0.000 0.434 329 G N 0.841 109.712 108.800 0.119 0.000 2.531 329 G HA2 0.428 4.388 3.960 -0.000 0.000 0.313 329 G HA3 0.428 4.388 3.960 -0.000 0.000 0.313 329 G C 1.033 175.969 174.900 0.060 0.000 1.238 329 G CA -0.292 44.864 45.100 0.093 0.000 0.994 329 G HN 0.487 nan 8.290 nan 0.000 0.493 330 V N -0.943 118.988 119.914 0.029 0.000 2.392 330 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 330 V C 2.489 178.583 176.094 0.000 0.000 1.059 330 V CA 2.284 64.579 62.300 -0.009 0.000 1.051 330 V CB -0.796 31.014 31.823 -0.023 0.000 0.658 330 V HN 0.692 nan 8.190 nan 0.000 0.455 331 K N 0.603 121.012 120.400 0.015 0.000 2.057 331 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 331 K C 2.222 178.835 176.600 0.020 0.000 1.050 331 K CA 1.877 58.173 56.287 0.016 0.000 0.935 331 K CB -0.147 32.365 32.500 0.019 0.000 0.715 331 K HN 0.657 nan 8.250 nan 0.000 0.439 332 E N 0.629 120.847 120.200 0.031 0.000 2.153 332 E HA -0.164 4.185 4.350 -0.000 0.000 0.194 332 E C 1.999 178.616 176.600 0.028 0.000 0.988 332 E CA 0.956 57.377 56.400 0.035 0.000 0.811 332 E CB 0.017 29.747 29.700 0.050 0.000 0.746 332 E HN 0.283 nan 8.360 nan 0.000 0.466 333 L N 0.662 121.901 121.223 0.025 0.000 2.131 333 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 333 L C 2.275 179.156 176.870 0.018 0.000 1.087 333 L CA 0.941 55.797 54.840 0.027 0.000 0.767 333 L CB -0.200 41.870 42.059 0.017 0.000 0.917 333 L HN 0.129 nan 8.230 nan 0.000 0.441 334 E N 0.244 120.446 120.200 0.005 0.000 2.031 334 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 334 E C 2.033 178.642 176.600 0.015 0.000 0.994 334 E CA 1.347 57.750 56.400 0.005 0.000 0.800 334 E CB -0.029 29.671 29.700 -0.001 0.000 0.752 334 E HN 0.434 nan 8.360 nan 0.000 0.447 335 E N 0.374 120.584 120.200 0.016 0.000 2.160 335 E HA -0.174 4.175 4.350 -0.000 0.000 0.195 335 E C 1.860 178.472 176.600 0.020 0.000 0.991 335 E CA 0.708 57.118 56.400 0.017 0.000 0.810 335 E CB 0.019 29.730 29.700 0.018 0.000 0.742 335 E HN 0.231 nan 8.360 nan 0.000 0.466 336 L N 0.240 121.479 121.223 0.027 0.000 2.599 336 L HA 0.001 4.341 4.340 -0.000 0.000 0.230 336 L C 0.196 177.089 176.870 0.039 0.000 1.141 336 L CA 0.187 55.047 54.840 0.033 0.000 0.877 336 L CB 0.104 42.190 42.059 0.045 0.000 1.009 336 L HN 0.029 nan 8.230 nan 0.000 0.447 337 K N -0.517 119.904 120.400 0.036 0.000 3.192 337 K HA -0.194 4.126 4.320 -0.000 0.000 0.278 337 K C 0.046 176.681 176.600 0.058 0.000 1.164 337 K CA 0.886 57.197 56.287 0.040 0.000 0.816 337 K CB -2.127 30.396 32.500 0.039 0.000 1.256 337 K HN 0.388 nan 8.250 nan 0.000 0.497 338 M N 0.610 120.251 119.600 0.069 0.000 3.596 338 M HA 0.041 4.521 4.480 -0.000 0.000 0.219 338 M C 1.736 178.090 176.300 0.091 0.000 1.471 338 M CA 0.485 55.853 55.300 0.112 0.000 1.644 338 M CB 0.108 32.826 32.600 0.196 0.000 1.083 338 M HN 0.308 nan 8.290 nan 0.000 0.579 339 G N 0.433 109.274 108.800 0.069 0.000 2.422 339 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 339 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 339 G C 1.508 176.437 174.900 0.047 0.000 1.140 339 G CA 0.967 46.096 45.100 0.048 0.000 0.775 339 G HN 0.662 nan 8.290 nan 0.000 0.545 340 A N 0.142 123.004 122.820 0.070 0.000 1.873 340 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 340 A C 2.210 179.826 177.584 0.052 0.000 1.186 340 A CA 1.632 53.701 52.037 0.054 0.000 0.616 340 A CB -0.739 18.282 19.000 0.034 0.000 0.823 340 A HN 0.379 nan 8.150 nan 0.000 0.442 341 Y N 0.689 120.958 120.300 -0.052 0.000 2.097 341 Y HA -0.164 4.386 4.550 -0.000 0.000 0.282 341 Y C 1.943 177.804 175.900 -0.066 0.000 1.152 341 Y CA 1.712 59.784 58.100 -0.046 0.000 1.136 341 Y CB -0.826 37.646 38.460 0.020 0.000 0.975 341 Y HN 0.201 nan 8.280 nan 0.000 0.498 342 L N -0.756 120.363 121.223 -0.174 0.000 2.131 342 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 342 L C 2.518 179.268 176.870 -0.200 0.000 1.092 342 L CA 1.392 56.058 54.840 -0.290 0.000 0.759 342 L CB -0.599 41.353 42.059 -0.177 0.000 0.903 342 L HN 0.127 nan 8.230 nan 0.000 0.435 343 S N -0.714 114.890 115.700 -0.160 0.000 2.382 343 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 343 S C 2.000 176.312 174.600 -0.480 0.000 1.027 343 S CA 1.064 59.144 58.200 -0.200 0.000 0.991 343 S CB -0.119 63.015 63.200 -0.111 0.000 0.823 343 S HN 0.177 nan 8.310 nan 0.000 0.469 344 V N 1.109 120.695 119.914 -0.546 0.000 2.490 344 V HA -0.102 4.018 4.120 -0.000 0.000 0.250 344 V C 2.268 178.189 176.094 -0.288 0.000 1.061 344 V CA 1.867 63.776 62.300 -0.651 0.000 1.064 344 V CB -0.932 30.695 31.823 -0.327 0.000 0.670 344 V HN 0.593 nan 8.190 nan 0.000 0.461 345 G N -1.447 107.241 108.800 -0.186 0.000 3.088 345 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.217 345 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.217 345 G C 1.410 176.278 174.900 -0.053 0.000 1.159 345 G CA -0.134 44.915 45.100 -0.085 0.000 0.760 345 G HN 0.395 nan 8.290 nan 0.000 0.550 346 K N 0.277 120.639 120.400 -0.063 0.000 2.089 346 K HA -0.100 4.220 4.320 -0.000 0.000 0.210 346 K C 2.298 178.914 176.600 0.027 0.000 1.048 346 K CA 1.287 57.567 56.287 -0.012 0.000 0.926 346 K CB -0.108 32.406 32.500 0.022 0.000 0.714 346 K HN 0.258 nan 8.250 nan 0.000 0.448 347 G N 0.040 108.877 108.800 0.062 0.000 3.233 347 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.227 347 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.227 347 G C -0.026 174.901 174.900 0.045 0.000 1.175 347 G CA -0.261 44.883 45.100 0.074 0.000 0.781 347 G HN 0.106 nan 8.290 nan 0.000 0.542 348 S N 0.123 115.845 115.700 0.036 0.000 2.585 348 S HA 0.380 4.850 4.470 -0.000 0.000 0.277 348 S C 1.667 176.241 174.600 -0.043 0.000 1.241 348 S CA -0.669 57.555 58.200 0.040 0.000 1.041 348 S CB 0.856 64.123 63.200 0.112 0.000 0.987 348 S HN 0.298 nan 8.310 nan 0.000 0.512 349 M N 2.754 122.251 119.600 -0.170 0.000 2.562 349 M HA 0.230 4.709 4.480 -0.000 0.000 0.257 349 M C -0.921 175.136 176.300 -0.406 0.000 1.099 349 M CA 0.576 55.679 55.300 -0.329 0.000 1.099 349 M CB -0.367 31.947 32.600 -0.476 0.000 1.427 349 M HN 0.494 nan 8.290 nan 0.000 0.489 350 Y N 1.566 121.866 120.300 0.001 0.000 2.330 350 Y HA 0.565 5.114 4.550 -0.000 0.000 0.336 350 Y C -2.352 173.549 175.900 0.001 0.000 1.036 350 Y CA -2.904 55.199 58.100 0.005 0.000 1.125 350 Y CB 0.335 38.804 38.460 0.014 0.000 1.194 350 Y HN -0.045 nan 8.280 nan 0.000 0.469 351 P HA 0.027 nan 4.420 nan 0.000 0.271 351 P C -0.804 176.540 177.300 0.074 0.000 1.216 351 P CA -0.247 62.895 63.100 0.070 0.000 0.776 351 P CB 0.554 32.291 31.700 0.062 0.000 0.881 352 N N 2.614 121.312 118.700 -0.004 0.000 2.412 352 N HA 0.063 4.803 4.740 -0.000 0.000 0.254 352 N C -0.040 175.528 175.510 0.098 0.000 1.232 352 N CA 0.644 53.683 53.050 -0.018 0.000 0.880 352 N CB 0.050 38.307 38.487 -0.383 0.000 1.076 352 N HN 0.167 nan 8.380 nan 0.000 0.458 353 K N 1.933 122.459 120.400 0.209 0.000 2.426 353 K HA 0.323 4.643 4.320 -0.000 0.000 0.254 353 K C -1.246 175.544 176.600 0.318 0.000 0.936 353 K CA -0.545 55.878 56.287 0.228 0.000 0.801 353 K CB 1.491 34.080 32.500 0.148 0.000 1.139 353 K HN 0.423 nan 8.250 nan 0.000 0.424 354 F N 4.215 124.266 119.950 0.168 0.000 2.388 354 F HA 0.464 4.991 4.527 -0.001 0.000 0.358 354 F C -0.140 175.692 175.800 0.052 0.000 1.122 354 F CA -0.999 57.049 58.000 0.080 0.000 1.056 354 F CB 0.595 39.617 39.000 0.036 0.000 1.155 354 F HN 0.396 nan 8.300 nan 0.000 0.461 355 I N 6.178 126.680 120.570 -0.114 0.000 2.395 355 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 355 I C -0.545 175.675 176.117 0.172 0.000 1.023 355 I CA -0.236 61.099 61.300 0.059 0.000 1.350 355 I CB 0.880 38.874 38.000 -0.010 0.000 1.409 355 I HN 0.631 nan 8.210 nan 0.000 0.507 356 H N 7.181 126.407 119.070 0.260 0.000 2.974 356 H HA 0.454 5.010 4.556 -0.000 0.000 0.285 356 H C -1.376 174.175 175.328 0.371 0.000 1.227 356 H CA -0.703 55.560 56.048 0.357 0.000 1.569 356 H CB 0.733 30.762 29.762 0.445 0.000 1.648 356 H HN 0.457 nan 8.280 nan 0.000 0.521 357 L N 3.515 125.104 121.223 0.610 0.000 2.360 357 L HA 0.520 4.860 4.340 -0.000 0.000 0.271 357 L C -0.098 177.161 176.870 0.648 0.000 1.057 357 L CA -0.710 54.436 54.840 0.509 0.000 0.803 357 L CB 1.873 44.142 42.059 0.350 0.000 1.207 357 L HN 0.515 nan 8.230 nan 0.000 0.445 358 T N 0.308 115.114 114.554 0.420 0.000 2.879 358 T HA 0.289 4.639 4.350 -0.000 0.000 0.290 358 T C -1.207 173.672 174.700 0.298 0.000 0.993 358 T CA -0.443 61.820 62.100 0.271 0.000 0.975 358 T CB 1.148 70.032 68.868 0.028 0.000 0.981 358 T HN 0.350 nan 8.240 nan 0.000 0.439 359 Y N 3.283 123.751 120.300 0.279 0.000 2.341 359 Y HA 0.595 5.145 4.550 -0.000 0.000 0.340 359 Y C -0.036 175.891 175.900 0.046 0.000 0.997 359 Y CA -0.676 57.535 58.100 0.184 0.000 1.149 359 Y CB 0.680 39.320 38.460 0.301 0.000 1.171 359 Y HN 0.472 nan 8.280 nan 0.000 0.494 360 K N 4.069 124.105 120.400 -0.606 0.000 2.207 360 K HA 0.508 4.828 4.320 -0.000 0.000 0.255 360 K C -0.624 175.515 176.600 -0.768 0.000 0.941 360 K CA -0.688 55.295 56.287 -0.507 0.000 0.825 360 K CB 1.284 33.632 32.500 -0.255 0.000 1.119 360 K HN 0.721 nan 8.250 nan 0.000 0.430 361 S N 1.994 117.421 115.700 -0.454 0.000 2.592 361 S HA 0.125 4.594 4.470 -0.000 0.000 0.271 361 S C 1.328 175.831 174.600 -0.163 0.000 1.326 361 S CA -0.149 57.888 58.200 -0.272 0.000 1.024 361 S CB 1.552 64.737 63.200 -0.025 0.000 0.921 361 S HN 0.740 nan 8.310 nan 0.000 0.527 362 K N 2.174 122.519 120.400 -0.092 0.000 2.057 362 K HA 0.055 4.375 4.320 -0.000 0.000 0.207 362 K C 1.317 177.894 176.600 -0.038 0.000 1.049 362 K CA 1.422 57.675 56.287 -0.057 0.000 0.931 362 K CB -1.335 31.150 32.500 -0.026 0.000 0.714 362 K HN 0.786 nan 8.250 nan 0.000 0.440 363 G N 0.408 109.195 108.800 -0.021 0.000 2.468 363 G HA2 0.224 4.184 3.960 -0.000 0.000 0.264 363 G HA3 0.224 4.184 3.960 -0.000 0.000 0.264 363 G C -0.468 174.420 174.900 -0.019 0.000 1.460 363 G CA 0.210 45.301 45.100 -0.014 0.000 1.060 363 G HN 0.428 nan 8.290 nan 0.000 0.543 364 D N -1.490 118.903 120.400 -0.012 0.000 2.372 364 D HA 0.348 4.988 4.640 -0.000 0.000 0.243 364 D C 0.122 176.416 176.300 -0.010 0.000 1.121 364 D CA -0.340 53.653 54.000 -0.012 0.000 0.898 364 D CB 1.895 42.689 40.800 -0.009 0.000 1.202 364 D HN 0.265 nan 8.370 nan 0.000 0.428 365 V N 2.468 122.374 119.914 -0.013 0.000 2.383 365 V HA 0.224 4.343 4.120 -0.000 0.000 0.275 365 V C 1.074 177.164 176.094 -0.006 0.000 1.036 365 V CA -0.027 62.268 62.300 -0.008 0.000 0.889 365 V CB 1.220 33.037 31.823 -0.011 0.000 0.985 365 V HN 0.586 nan 8.190 nan 0.000 0.459 366 K N 3.062 123.460 120.400 -0.003 0.000 2.399 366 K HA 0.308 4.628 4.320 -0.000 0.000 0.196 366 K C 0.546 177.133 176.600 -0.022 0.000 1.103 366 K CA 0.295 56.575 56.287 -0.011 0.000 0.986 366 K CB 0.688 33.184 32.500 -0.006 0.000 0.952 366 K HN 0.575 nan 8.250 nan 0.000 0.541 367 K N 1.994 122.385 120.400 -0.014 0.000 2.482 367 K HA 0.389 4.709 4.320 -0.000 0.000 0.251 367 K C -1.310 175.291 176.600 0.002 0.000 0.936 367 K CA -0.818 55.450 56.287 -0.031 0.000 0.791 367 K CB 1.298 33.791 32.500 -0.012 0.000 1.213 367 K HN -0.068 nan 8.250 nan 0.000 0.428 368 K N 1.965 122.361 120.400 -0.007 0.000 2.265 368 K HA 0.605 4.924 4.320 -0.000 0.000 0.267 368 K C -0.789 175.867 176.600 0.093 0.000 0.994 368 K CA -0.571 55.751 56.287 0.059 0.000 0.860 368 K CB 1.155 33.697 32.500 0.071 0.000 1.099 368 K HN 0.605 nan 8.250 nan 0.000 0.448 369 I N 1.882 122.540 120.570 0.147 0.000 2.530 369 I HA 0.397 4.567 4.170 -0.000 0.000 0.297 369 I C -0.453 175.771 176.117 0.179 0.000 1.011 369 I CA -0.927 60.497 61.300 0.207 0.000 1.107 369 I CB 2.085 40.228 38.000 0.240 0.000 1.285 369 I HN 0.573 nan 8.210 nan 0.000 0.436 370 A N 7.400 130.332 122.820 0.187 0.000 2.287 370 A HA 0.787 5.107 4.320 -0.000 0.000 0.317 370 A C -0.811 176.838 177.584 0.108 0.000 1.220 370 A CA -0.467 51.654 52.037 0.139 0.000 0.835 370 A CB 0.546 19.628 19.000 0.136 0.000 1.180 370 A HN 0.669 nan 8.150 nan 0.000 0.500 371 L N 3.188 124.422 121.223 0.019 0.000 2.272 371 L HA 0.541 4.881 4.340 -0.000 0.000 0.289 371 L C -0.795 176.124 176.870 0.081 0.000 1.032 371 L CA -0.803 54.069 54.840 0.054 0.000 0.810 371 L CB 1.604 43.690 42.059 0.044 0.000 1.205 371 L HN 0.391 nan 8.230 nan 0.000 0.422 372 V N 2.331 122.298 119.914 0.088 0.000 2.378 372 V HA 0.638 4.758 4.120 -0.000 0.000 0.288 372 V C 0.459 176.579 176.094 0.044 0.000 1.016 372 V CA -0.464 61.868 62.300 0.055 0.000 0.840 372 V CB 1.539 33.413 31.823 0.085 0.000 0.994 372 V HN 0.865 nan 8.190 nan 0.000 0.431 373 G N 2.950 111.747 108.800 -0.005 0.000 2.416 373 G HA2 0.513 4.472 3.960 -0.000 0.000 0.329 373 G HA3 0.513 4.472 3.960 -0.000 0.000 0.329 373 G C -0.695 174.167 174.900 -0.063 0.000 1.173 373 G CA -0.767 44.328 45.100 -0.008 0.000 0.929 373 G HN 0.642 nan 8.290 nan 0.000 0.475 374 K N 0.934 121.308 120.400 -0.043 0.000 2.383 374 K HA 0.367 4.687 4.320 -0.000 0.000 0.286 374 K C 0.367 176.913 176.600 -0.090 0.000 1.051 374 K CA -0.079 56.166 56.287 -0.071 0.000 0.974 374 K CB 0.411 32.882 32.500 -0.048 0.000 0.968 374 K HN 0.473 nan 8.250 nan 0.000 0.475 375 G N 6.302 115.041 108.800 -0.102 0.000 4.519 375 G HA2 0.287 4.246 3.960 -0.000 0.000 0.336 375 G HA3 0.287 4.246 3.960 -0.000 0.000 0.336 375 G C -0.646 174.227 174.900 -0.046 0.000 1.491 375 G CA -0.502 44.548 45.100 -0.082 0.000 1.008 375 G HN 0.473 nan 8.290 nan 0.000 0.515 376 I N 2.795 123.338 120.570 -0.044 0.000 2.297 376 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 376 I C 1.696 177.812 176.117 -0.002 0.000 1.033 376 I CA -0.467 60.825 61.300 -0.013 0.000 1.253 376 I CB 0.590 38.570 38.000 -0.033 0.000 1.396 376 I HN 0.377 nan 8.210 nan 0.000 0.476 377 T N 2.665 117.241 114.554 0.037 0.000 2.985 377 T HA 0.031 4.380 4.350 -0.000 0.000 0.266 377 T C 0.294 175.092 174.700 0.163 0.000 1.076 377 T CA 0.640 62.773 62.100 0.054 0.000 1.135 377 T CB 0.033 68.908 68.868 0.012 0.000 0.890 377 T HN 0.292 nan 8.240 nan 0.000 0.480 378 F N 1.437 121.391 119.950 0.007 0.000 2.573 378 F HA 0.528 5.054 4.527 -0.000 0.000 0.316 378 F C -2.002 173.818 175.800 0.033 0.000 1.148 378 F CA -1.777 56.235 58.000 0.019 0.000 0.940 378 F CB 2.039 41.049 39.000 0.018 0.000 1.214 378 F HN -0.154 nan 8.300 nan 0.000 0.448 379 D N 2.795 122.737 120.400 -0.763 0.000 2.454 379 D HA 0.212 4.852 4.640 -0.000 0.000 0.225 379 D C 0.639 176.473 176.300 -0.777 0.000 1.081 379 D CA 0.071 53.754 54.000 -0.528 0.000 0.864 379 D CB 1.386 42.020 40.800 -0.275 0.000 1.040 379 D HN 0.474 nan 8.370 nan 0.000 0.517 380 S N 2.181 117.647 115.700 -0.391 0.000 2.527 380 S HA 0.205 4.675 4.470 -0.000 0.000 0.222 380 S C 1.712 176.268 174.600 -0.074 0.000 0.985 380 S CA 0.501 58.638 58.200 -0.106 0.000 0.921 380 S CB 0.123 63.454 63.200 0.219 0.000 0.772 380 S HN 0.751 nan 8.310 nan 0.000 0.529 381 G N 0.541 109.297 108.800 -0.073 0.000 2.194 381 G HA2 0.153 4.113 3.960 -0.000 0.000 0.236 381 G HA3 0.153 4.113 3.960 -0.000 0.000 0.236 381 G C 1.168 176.082 174.900 0.024 0.000 0.987 381 G CA 0.270 45.357 45.100 -0.022 0.000 0.635 381 G HN 1.765 nan 8.290 nan 0.000 0.520 382 G N -0.679 108.139 108.800 0.031 0.000 2.552 382 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.265 382 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.265 382 G C 0.571 175.436 174.900 -0.059 0.000 1.234 382 G CA 0.673 45.791 45.100 0.031 0.000 0.944 382 G HN 1.038 nan 8.290 nan 0.000 0.568 383 Y N 1.321 121.608 120.300 -0.022 0.000 2.256 383 Y HA -0.053 4.497 4.550 -0.000 0.000 0.288 383 Y C 2.363 178.238 175.900 -0.042 0.000 1.155 383 Y CA 1.961 60.037 58.100 -0.039 0.000 1.203 383 Y CB -0.283 38.136 38.460 -0.070 0.000 0.980 383 Y HN 0.432 nan 8.280 nan 0.000 0.530 384 N N 1.300 120.038 118.700 0.064 0.000 3.027 384 N HA 0.092 4.832 4.740 -0.000 0.000 0.309 384 N C -0.810 174.701 175.510 0.003 0.000 1.222 384 N CA -0.187 52.874 53.050 0.019 0.000 1.187 384 N CB -0.297 38.186 38.487 -0.007 0.000 1.458 384 N HN 0.103 nan 8.380 nan 0.000 0.535 385 L N 0.955 122.175 121.223 -0.004 0.000 2.525 385 L HA -0.014 4.326 4.340 -0.000 0.000 0.278 385 L C 0.162 177.027 176.870 -0.009 0.000 1.218 385 L CA 0.123 54.954 54.840 -0.016 0.000 0.878 385 L CB 0.395 42.440 42.059 -0.024 0.000 1.127 385 L HN 0.277 nan 8.230 nan 0.000 0.492 386 K N 5.622 126.014 120.400 -0.013 0.000 2.079 386 K HA 0.167 4.486 4.320 -0.000 0.000 0.255 386 K C 0.490 177.087 176.600 -0.004 0.000 1.114 386 K CA 0.595 56.873 56.287 -0.014 0.000 1.056 386 K CB 0.010 32.490 32.500 -0.032 0.000 1.176 386 K HN 0.777 nan 8.250 nan 0.000 0.353 387 A N 1.943 124.762 122.820 -0.003 0.000 2.312 387 A HA 0.278 4.597 4.320 -0.000 0.000 0.215 387 A C 0.803 178.386 177.584 -0.002 0.000 1.256 387 A CA -0.055 51.982 52.037 -0.000 0.000 0.966 387 A CB 0.490 19.490 19.000 0.001 0.000 1.053 387 A HN 0.592 nan 8.150 nan 0.000 0.510 388 A N 1.270 124.089 122.820 -0.003 0.000 2.425 388 A HA 0.547 4.866 4.320 -0.000 0.000 0.242 388 A C -2.485 175.098 177.584 -0.001 0.000 1.077 388 A CA -0.980 51.055 52.037 -0.003 0.000 0.781 388 A CB -0.560 18.438 19.000 -0.004 0.000 1.020 388 A HN 0.192 nan 8.150 nan 0.000 0.494 389 P HA 0.261 nan 4.420 nan 0.000 0.265 389 P C 0.961 178.262 177.300 0.003 0.000 1.193 389 P CA 1.771 64.871 63.100 -0.000 0.000 0.765 389 P CB 0.582 32.282 31.700 0.000 0.000 0.823 390 G N 2.405 111.202 108.800 -0.005 0.000 2.155 390 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 390 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 390 G C 1.042 175.940 174.900 -0.004 0.000 0.983 390 G CA 0.641 45.736 45.100 -0.009 0.000 0.676 390 G HN 0.579 nan 8.290 nan 0.000 0.528 391 S N -0.546 115.151 115.700 -0.004 0.000 2.489 391 S HA 0.278 4.748 4.470 -0.000 0.000 0.228 391 S C 1.404 175.986 174.600 -0.031 0.000 0.995 391 S CA 1.080 59.276 58.200 -0.006 0.000 0.934 391 S CB -0.272 62.924 63.200 -0.006 0.000 0.771 391 S HN 1.272 nan 8.310 nan 0.000 0.522 392 M N 0.094 119.671 119.600 -0.040 0.000 2.347 392 M HA -0.144 4.336 4.480 -0.000 0.000 0.198 392 M C 0.638 176.879 176.300 -0.097 0.000 0.549 392 M CA 0.186 55.442 55.300 -0.073 0.000 0.481 392 M CB -1.745 30.798 32.600 -0.096 0.000 1.393 392 M HN 0.469 nan 8.290 nan 0.000 0.905 393 I N 1.628 122.169 120.570 -0.047 0.000 2.335 393 I HA -0.269 3.900 4.170 -0.000 0.000 0.251 393 I C 2.117 178.258 176.117 0.039 0.000 1.129 393 I CA 2.463 63.754 61.300 -0.015 0.000 1.402 393 I CB 0.000 38.032 38.000 0.053 0.000 1.069 393 I HN 0.618 nan 8.210 nan 0.000 0.424 394 D N 0.606 121.003 120.400 -0.004 0.000 2.350 394 D HA -0.218 4.422 4.640 -0.000 0.000 0.216 394 D C 1.898 178.121 176.300 -0.128 0.000 0.968 394 D CA 0.735 54.726 54.000 -0.015 0.000 0.894 394 D CB -0.331 40.438 40.800 -0.052 0.000 0.909 394 D HN 0.451 nan 8.370 nan 0.000 0.520 395 L N -0.833 120.235 121.223 -0.259 0.000 2.607 395 L HA 0.176 4.516 4.340 -0.000 0.000 0.228 395 L C 1.650 178.286 176.870 -0.391 0.000 1.123 395 L CA 0.161 54.664 54.840 -0.562 0.000 0.890 395 L CB -0.020 41.514 42.059 -0.874 0.000 1.103 395 L HN -0.245 nan 8.230 nan 0.000 0.468 396 M N 0.252 119.760 119.600 -0.153 0.000 2.686 396 M HA -0.061 4.419 4.480 -0.000 0.000 0.246 396 M C 1.760 178.075 176.300 0.024 0.000 1.096 396 M CA 0.786 56.010 55.300 -0.126 0.000 1.076 396 M CB -0.851 31.434 32.600 -0.525 0.000 1.504 396 M HN 0.459 nan 8.290 nan 0.000 0.524 397 K N 0.431 120.940 120.400 0.181 0.000 2.360 397 K HA -0.152 4.167 4.320 -0.000 0.000 0.201 397 K C 1.546 178.253 176.600 0.177 0.000 1.046 397 K CA 1.191 57.599 56.287 0.202 0.000 0.945 397 K CB -0.946 31.627 32.500 0.122 0.000 0.750 397 K HN 0.474 nan 8.250 nan 0.000 0.464 398 F N 0.420 120.312 119.950 -0.096 0.000 2.811 398 F HA 0.174 4.701 4.527 -0.000 0.000 0.301 398 F C 0.907 176.692 175.800 -0.024 0.000 1.151 398 F CA -0.401 57.576 58.000 -0.038 0.000 1.412 398 F CB 0.068 39.037 39.000 -0.051 0.000 1.113 398 F HN -0.106 nan 8.300 nan 0.000 0.579 399 D N 1.909 122.273 120.400 -0.060 0.000 2.363 399 D HA -0.061 4.578 4.640 -0.000 0.000 0.226 399 D C 1.391 177.561 176.300 -0.216 0.000 1.020 399 D CA 0.781 54.622 54.000 -0.264 0.000 0.892 399 D CB 0.007 40.748 40.800 -0.098 0.000 0.900 399 D HN 0.496 nan 8.370 nan 0.000 0.531 400 M N -2.376 117.135 119.600 -0.149 0.000 2.404 400 M HA 0.400 4.880 4.480 -0.000 0.000 0.271 400 M C 1.442 177.676 176.300 -0.111 0.000 1.128 400 M CA -0.180 55.056 55.300 -0.105 0.000 0.982 400 M CB 0.219 32.785 32.600 -0.057 0.000 1.445 400 M HN -0.318 nan 8.290 nan 0.000 0.495 401 S N 1.656 117.250 115.700 -0.177 0.000 2.387 401 S HA -0.094 4.375 4.470 -0.000 0.000 0.230 401 S C 2.032 176.592 174.600 -0.066 0.000 1.035 401 S CA 1.875 60.004 58.200 -0.118 0.000 1.014 401 S CB -0.932 62.157 63.200 -0.185 0.000 0.836 401 S HN 0.789 nan 8.310 nan 0.000 0.466 402 G N 0.301 109.052 108.800 -0.081 0.000 2.433 402 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 402 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 402 G C 1.773 176.670 174.900 -0.005 0.000 1.186 402 G CA 1.080 46.168 45.100 -0.020 0.000 0.779 402 G HN 0.611 nan 8.290 nan 0.000 0.543 403 C N 1.127 120.407 119.300 -0.032 0.000 2.401 403 C HA 0.091 4.551 4.460 -0.000 0.000 0.276 403 C C 3.412 178.403 174.990 0.001 0.000 1.233 403 C CA 1.842 60.846 59.018 -0.024 0.000 1.753 403 C CB -1.113 26.593 27.740 -0.056 0.000 2.029 403 C HN 0.543 nan 8.230 nan 0.000 0.478 404 A N 0.371 123.177 122.820 -0.023 0.000 1.898 404 A HA 0.155 4.474 4.320 -0.000 0.000 0.216 404 A C 2.540 180.129 177.584 0.009 0.000 1.181 404 A CA 2.190 54.206 52.037 -0.034 0.000 0.620 404 A CB -1.261 17.692 19.000 -0.078 0.000 0.819 404 A HN 0.936 nan 8.150 nan 0.000 0.442 405 A N -0.540 122.291 122.820 0.019 0.000 1.917 405 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 405 A C 2.231 179.861 177.584 0.077 0.000 1.182 405 A CA 1.990 54.049 52.037 0.036 0.000 0.633 405 A CB -0.914 18.117 19.000 0.050 0.000 0.819 405 A HN 0.408 nan 8.150 nan 0.000 0.448 406 V N -0.587 119.390 119.914 0.104 0.000 2.379 406 V HA -0.172 3.947 4.120 -0.000 0.000 0.245 406 V C 2.467 178.674 176.094 0.187 0.000 1.044 406 V CA 1.629 64.048 62.300 0.197 0.000 1.036 406 V CB -0.623 31.318 31.823 0.197 0.000 0.664 406 V HN 0.461 nan 8.190 nan 0.000 0.453 407 L N 0.982 122.277 121.223 0.121 0.000 2.027 407 L HA 0.012 4.351 4.340 -0.000 0.000 0.206 407 L C 2.606 179.549 176.870 0.122 0.000 1.074 407 L CA 2.270 57.176 54.840 0.110 0.000 0.745 407 L CB -1.792 40.390 42.059 0.204 0.000 0.898 407 L HN 0.344 nan 8.230 nan 0.000 0.433 408 G N -1.564 107.338 108.800 0.171 0.000 2.440 408 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.218 408 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.218 408 G C 1.921 176.883 174.900 0.104 0.000 1.154 408 G CA 1.086 46.276 45.100 0.151 0.000 0.767 408 G HN 0.529 nan 8.290 nan 0.000 0.552 409 C N 0.933 120.283 119.300 0.084 0.000 2.435 409 C HA 0.286 4.745 4.460 -0.000 0.000 0.279 409 C C 3.382 178.408 174.990 0.060 0.000 1.321 409 C CA 1.385 60.467 59.018 0.107 0.000 1.752 409 C CB -1.090 26.773 27.740 0.205 0.000 1.959 409 C HN 0.540 nan 8.230 nan 0.000 0.500 410 A N -0.854 121.831 122.820 -0.225 0.000 1.933 410 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 410 A C 2.029 179.410 177.584 -0.338 0.000 1.175 410 A CA 1.768 53.317 52.037 -0.813 0.000 0.628 410 A CB -1.193 17.036 19.000 -1.286 0.000 0.814 410 A HN 0.830 nan 8.150 nan 0.000 0.444 411 Y N 0.189 120.343 120.300 -0.242 0.000 2.145 411 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 411 Y C 2.514 178.384 175.900 -0.050 0.000 1.145 411 Y CA 1.756 59.771 58.100 -0.142 0.000 1.148 411 Y CB -0.803 37.587 38.460 -0.116 0.000 0.981 411 Y HN 0.360 nan 8.280 nan 0.000 0.507 412 C N -0.852 118.401 119.300 -0.078 0.000 2.446 412 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 412 C C 2.816 177.708 174.990 -0.163 0.000 1.275 412 C CA 1.073 60.046 59.018 -0.075 0.000 1.727 412 C CB -1.186 26.612 27.740 0.097 0.000 2.010 412 C HN 0.516 nan 8.230 nan 0.000 0.486 413 V N 1.213 121.035 119.914 -0.153 0.000 2.358 413 V HA -0.070 4.049 4.120 -0.000 0.000 0.246 413 V C 2.626 178.446 176.094 -0.456 0.000 1.047 413 V CA 2.389 64.539 62.300 -0.250 0.000 1.035 413 V CB -1.379 30.392 31.823 -0.086 0.000 0.658 413 V HN 0.647 nan 8.190 nan 0.000 0.452 414 G N -1.074 107.510 108.800 -0.359 0.000 2.509 414 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 414 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 414 G C 1.603 176.364 174.900 -0.231 0.000 1.124 414 G CA 1.382 46.335 45.100 -0.245 0.000 0.776 414 G HN 0.494 nan 8.290 nan 0.000 0.547 415 T N 0.562 114.905 114.554 -0.351 0.000 3.010 415 T HA 0.154 4.504 4.350 -0.000 0.000 0.252 415 T C 2.282 176.879 174.700 -0.171 0.000 1.047 415 T CA 0.132 62.048 62.100 -0.308 0.000 1.140 415 T CB 0.011 68.571 68.868 -0.512 0.000 0.885 415 T HN 0.122 nan 8.240 nan 0.000 0.464 416 L N 0.479 121.602 121.223 -0.167 0.000 2.341 416 L HA 0.199 4.539 4.340 -0.000 0.000 0.214 416 L C 0.429 177.251 176.870 -0.080 0.000 1.115 416 L CA 0.409 55.196 54.840 -0.088 0.000 0.820 416 L CB -0.292 41.744 42.059 -0.038 0.000 0.944 416 L HN 0.192 nan 8.230 nan 0.000 0.452 417 K N -0.040 120.269 120.400 -0.153 0.000 3.419 417 K HA -0.137 4.183 4.320 -0.000 0.000 0.272 417 K C -2.199 174.437 176.600 0.059 0.000 0.973 417 K CA -0.182 56.087 56.287 -0.029 0.000 0.749 417 K CB -1.583 30.985 32.500 0.114 0.000 1.403 417 K HN 0.262 nan 8.250 nan 0.000 0.456 418 P HA -0.005 nan 4.420 nan 0.000 0.269 418 P C -0.064 177.350 177.300 0.190 0.000 1.217 418 P CA 0.373 63.505 63.100 0.054 0.000 0.783 418 P CB 0.675 32.375 31.700 0.000 0.000 0.898 419 E N 0.739 121.008 120.200 0.115 0.000 2.250 419 E HA 0.174 4.524 4.350 -0.000 0.000 0.265 419 E C 0.295 176.945 176.600 0.084 0.000 1.033 419 E CA -0.651 55.810 56.400 0.101 0.000 0.888 419 E CB 0.294 30.027 29.700 0.055 0.000 1.151 419 E HN 0.362 nan 8.360 nan 0.000 0.412 420 N N -0.691 118.044 118.700 0.058 0.000 2.800 420 N HA -0.167 4.572 4.740 -0.000 0.000 0.250 420 N C -1.141 174.393 175.510 0.039 0.000 1.078 420 N CA 0.684 53.754 53.050 0.033 0.000 0.804 420 N CB -1.054 37.445 38.487 0.020 0.000 1.135 420 N HN 0.195 nan 8.380 nan 0.000 0.565 421 V N 0.093 120.052 119.914 0.076 0.000 2.841 421 V HA 0.508 4.628 4.120 -0.000 0.000 0.310 421 V C -0.943 175.209 176.094 0.096 0.000 1.090 421 V CA -0.706 61.649 62.300 0.091 0.000 0.930 421 V CB 2.442 34.331 31.823 0.110 0.000 1.014 421 V HN 0.195 nan 8.190 nan 0.000 0.425 422 E N 5.457 125.692 120.200 0.059 0.000 2.224 422 E HA 0.640 4.990 4.350 -0.000 0.000 0.265 422 E C -1.711 174.891 176.600 0.003 0.000 0.878 422 E CA -0.605 55.799 56.400 0.007 0.000 0.759 422 E CB 1.765 31.451 29.700 -0.022 0.000 1.164 422 E HN 0.671 nan 8.360 nan 0.000 0.414 423 I N 4.123 124.661 120.570 -0.052 0.000 2.466 423 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 423 I C -0.578 175.303 176.117 -0.394 0.000 1.026 423 I CA -0.856 60.328 61.300 -0.194 0.000 1.078 423 I CB 1.689 39.548 38.000 -0.235 0.000 1.249 423 I HN 0.481 nan 8.210 nan 0.000 0.429 424 H N 6.297 125.256 119.070 -0.185 0.000 2.504 424 H HA 0.400 4.956 4.556 -0.000 0.000 0.322 424 H C -1.168 174.024 175.328 -0.227 0.000 1.055 424 H CA -0.400 55.653 56.048 0.008 0.000 1.231 424 H CB 1.394 31.236 29.762 0.133 0.000 1.417 424 H HN 0.329 nan 8.280 nan 0.000 0.472 425 F N 3.745 123.877 119.950 0.302 0.000 2.404 425 F HA 0.354 4.881 4.527 -0.001 0.000 0.354 425 F C 0.162 176.050 175.800 0.147 0.000 1.122 425 F CA -0.649 57.468 58.000 0.194 0.000 1.080 425 F CB 1.022 40.122 39.000 0.167 0.000 1.131 425 F HN 0.166 nan 8.300 nan 0.000 0.471 426 L N 2.740 124.055 121.223 0.154 0.000 2.385 426 L HA 0.649 4.989 4.340 -0.000 0.000 0.273 426 L C -0.387 176.335 176.870 -0.247 0.000 0.990 426 L CA -0.638 54.151 54.840 -0.086 0.000 0.821 426 L CB 2.190 44.199 42.059 -0.083 0.000 1.279 426 L HN 0.559 nan 8.230 nan 0.000 0.412 427 S N 1.566 116.953 115.700 -0.522 0.000 2.619 427 S HA 0.689 5.159 4.470 -0.000 0.000 0.280 427 S C -0.571 173.476 174.600 -0.921 0.000 1.150 427 S CA -0.442 57.435 58.200 -0.538 0.000 0.978 427 S CB 1.696 64.746 63.200 -0.250 0.000 1.041 427 S HN 0.677 nan 8.310 nan 0.000 0.485 428 A N 4.716 127.006 122.820 -0.883 0.000 2.671 428 A HA 0.555 4.875 4.320 -0.000 0.000 0.306 428 A C -0.138 177.210 177.584 -0.395 0.000 1.473 428 A CA -0.320 51.146 52.037 -0.951 0.000 1.155 428 A CB -0.440 17.864 19.000 -1.159 0.000 1.123 428 A HN 0.718 nan 8.150 nan 0.000 0.545 429 V N 2.483 122.357 119.914 -0.067 0.000 2.509 429 V HA 0.522 4.642 4.120 -0.000 0.000 0.284 429 V C 0.573 176.813 176.094 0.243 0.000 1.047 429 V CA -0.097 62.241 62.300 0.063 0.000 0.952 429 V CB 0.066 31.902 31.823 0.022 0.000 0.988 429 V HN 1.229 nan 8.190 nan 0.000 0.469 430 C N 2.255 121.659 119.300 0.173 0.000 3.260 430 C HA 0.766 5.226 4.460 -0.000 0.000 0.366 430 C C -0.960 174.095 174.990 0.109 0.000 1.537 430 C CA -0.857 58.254 59.018 0.155 0.000 1.160 430 C CB 1.624 29.465 27.740 0.168 0.000 1.760 430 C HN 0.845 nan 8.230 nan 0.000 0.432 431 E N 0.557 120.828 120.200 0.117 0.000 2.293 431 E HA 0.498 4.847 4.350 -0.000 0.000 0.270 431 E C -1.756 174.917 176.600 0.122 0.000 0.879 431 E CA -0.297 56.190 56.400 0.145 0.000 0.756 431 E CB 1.834 31.668 29.700 0.223 0.000 1.208 431 E HN 0.643 nan 8.360 nan 0.000 0.428 432 N N 4.314 123.088 118.700 0.124 0.000 2.626 432 N HA 0.258 4.998 4.740 -0.000 0.000 0.242 432 N C -1.227 174.366 175.510 0.139 0.000 1.005 432 N CA -0.192 52.922 53.050 0.107 0.000 0.905 432 N CB 0.463 38.990 38.487 0.066 0.000 1.128 432 N HN 0.390 nan 8.380 nan 0.000 0.512 433 M N 1.281 120.963 119.600 0.137 0.000 2.761 433 M HA 0.497 4.977 4.480 -0.000 0.000 0.305 433 M C -0.615 175.704 176.300 0.032 0.000 1.235 433 M CA -1.058 54.309 55.300 0.112 0.000 0.850 433 M CB 1.726 34.390 32.600 0.106 0.000 1.744 433 M HN -0.041 nan 8.290 nan 0.000 0.480 434 V N 0.699 120.577 119.914 -0.060 0.000 2.370 434 V HA 0.697 4.817 4.120 -0.000 0.000 0.283 434 V C -0.068 175.942 176.094 -0.139 0.000 1.023 434 V CA -0.180 61.964 62.300 -0.261 0.000 0.857 434 V CB 1.363 32.948 31.823 -0.397 0.000 0.985 434 V HN 0.965 nan 8.190 nan 0.000 0.443 435 S N 3.079 118.751 115.700 -0.046 0.000 2.636 435 S HA 0.359 4.829 4.470 -0.000 0.000 0.268 435 S C 0.681 175.389 174.600 0.180 0.000 1.159 435 S CA -0.219 58.015 58.200 0.055 0.000 0.815 435 S CB 1.735 64.966 63.200 0.051 0.000 1.130 435 S HN 0.833 nan 8.310 nan 0.000 0.471 436 K N 1.217 121.692 120.400 0.124 0.000 2.280 436 K HA 0.051 4.371 4.320 -0.000 0.000 0.202 436 K C 0.740 177.405 176.600 0.109 0.000 1.047 436 K CA 1.513 57.871 56.287 0.119 0.000 0.942 436 K CB -0.354 32.185 32.500 0.064 0.000 0.739 436 K HN 0.364 nan 8.250 nan 0.000 0.457 437 N N 0.751 119.513 118.700 0.103 0.000 2.336 437 N HA 0.052 4.792 4.740 -0.000 0.000 0.189 437 N C -0.391 175.199 175.510 0.133 0.000 1.113 437 N CA 0.099 53.200 53.050 0.086 0.000 0.858 437 N CB 0.512 39.030 38.487 0.051 0.000 0.970 437 N HN 0.092 nan 8.380 nan 0.000 0.471 438 S N 1.452 117.282 115.700 0.216 0.000 2.579 438 S HA 0.055 4.525 4.470 -0.000 0.000 0.275 438 S C 0.027 174.822 174.600 0.326 0.000 1.345 438 S CA -0.492 57.890 58.200 0.303 0.000 1.031 438 S CB 0.234 63.688 63.200 0.423 0.000 0.892 438 S HN 0.313 nan 8.310 nan 0.000 0.529 439 Y N 1.359 121.720 120.300 0.102 0.000 2.379 439 Y HA 0.535 5.085 4.550 -0.000 0.000 0.337 439 Y C 0.146 176.091 175.900 0.075 0.000 1.238 439 Y CA -1.030 57.108 58.100 0.063 0.000 1.405 439 Y CB 0.206 38.694 38.460 0.046 0.000 1.310 439 Y HN 0.455 nan 8.280 nan 0.000 0.569 440 R N 3.180 123.580 120.500 -0.167 0.000 2.664 440 R HA 0.466 4.806 4.340 -0.000 0.000 0.286 440 R C -2.649 173.460 176.300 -0.318 0.000 0.967 440 R CA -2.178 53.760 56.100 -0.269 0.000 0.933 440 R CB 1.236 31.396 30.300 -0.233 0.000 1.146 440 R HN 0.484 nan 8.270 nan 0.000 0.468 441 P HA -0.039 nan 4.420 nan 0.000 0.264 441 P C 0.474 177.690 177.300 -0.139 0.000 1.183 441 P CA 1.030 64.012 63.100 -0.197 0.000 0.763 441 P CB 0.610 32.232 31.700 -0.129 0.000 0.807 442 G N 1.815 110.558 108.800 -0.096 0.000 2.234 442 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.235 442 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.235 442 G C 0.007 174.882 174.900 -0.042 0.000 0.997 442 G CA -0.236 44.828 45.100 -0.060 0.000 0.623 442 G HN 0.510 nan 8.290 nan 0.000 0.514 443 D N 0.461 120.833 120.400 -0.046 0.000 2.423 443 D HA 0.424 5.064 4.640 -0.000 0.000 0.238 443 D C 0.766 177.095 176.300 0.048 0.000 1.142 443 D CA 0.379 54.382 54.000 0.005 0.000 0.884 443 D CB 0.728 41.554 40.800 0.044 0.000 1.199 443 D HN 0.343 nan 8.370 nan 0.000 0.438 444 I N 3.216 123.818 120.570 0.054 0.000 2.330 444 I HA 0.273 4.442 4.170 -0.000 0.000 0.289 444 I C 0.256 176.430 176.117 0.095 0.000 1.001 444 I CA -0.647 60.702 61.300 0.082 0.000 1.193 444 I CB 0.697 38.739 38.000 0.069 0.000 1.345 444 I HN 0.191 nan 8.210 nan 0.000 0.461 445 I N 2.304 122.948 120.570 0.123 0.000 2.910 445 I HA 0.639 4.809 4.170 -0.000 0.000 0.310 445 I C -0.714 175.477 176.117 0.122 0.000 1.043 445 I CA -0.448 60.922 61.300 0.117 0.000 1.053 445 I CB 2.344 40.422 38.000 0.130 0.000 1.242 445 I HN 0.277 nan 8.210 nan 0.000 0.452 446 T N 3.177 117.792 114.554 0.103 0.000 2.786 446 T HA 0.654 5.004 4.350 -0.000 0.000 0.283 446 T C 0.104 174.871 174.700 0.111 0.000 0.992 446 T CA -0.379 61.785 62.100 0.107 0.000 0.954 446 T CB 1.407 70.322 68.868 0.079 0.000 0.934 446 T HN 0.832 nan 8.240 nan 0.000 0.440 447 A N 2.096 125.006 122.820 0.150 0.000 2.313 447 A HA 0.515 4.835 4.320 -0.000 0.000 0.261 447 A C 1.548 179.210 177.584 0.129 0.000 1.090 447 A CA -0.411 51.715 52.037 0.149 0.000 0.807 447 A CB 0.119 19.274 19.000 0.258 0.000 1.055 447 A HN 0.915 nan 8.150 nan 0.000 0.492 448 S N 0.420 116.187 115.700 0.112 0.000 2.507 448 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 448 S C 0.893 175.542 174.600 0.081 0.000 0.988 448 S CA 1.092 59.343 58.200 0.087 0.000 0.944 448 S CB -0.547 62.702 63.200 0.082 0.000 0.762 448 S HN 0.871 nan 8.310 nan 0.000 0.526 449 N N 1.005 119.774 118.700 0.114 0.000 2.322 449 N HA 0.270 5.010 4.740 -0.000 0.000 0.194 449 N C 1.197 176.732 175.510 0.041 0.000 1.126 449 N CA 0.546 53.636 53.050 0.066 0.000 0.845 449 N CB -0.304 38.213 38.487 0.051 0.000 0.976 449 N HN 0.497 nan 8.380 nan 0.000 0.475 450 G N 0.078 108.915 108.800 0.063 0.000 2.241 450 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.244 450 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.244 450 G C -0.120 174.811 174.900 0.051 0.000 0.998 450 G CA 0.007 45.133 45.100 0.044 0.000 0.621 450 G HN 0.432 nan 8.290 nan 0.000 0.519 451 K N 1.675 122.111 120.400 0.060 0.000 2.472 451 K HA 0.307 4.627 4.320 -0.000 0.000 0.280 451 K C 0.148 176.827 176.600 0.133 0.000 1.028 451 K CA 0.604 56.928 56.287 0.061 0.000 1.045 451 K CB 0.420 32.912 32.500 -0.013 0.000 0.902 451 K HN 0.127 nan 8.250 nan 0.000 0.478 452 T N 4.096 118.710 114.554 0.101 0.000 2.817 452 T HA 0.386 4.736 4.350 -0.000 0.000 0.293 452 T C -0.094 174.705 174.700 0.165 0.000 0.964 452 T CA -0.436 61.737 62.100 0.122 0.000 1.085 452 T CB 0.184 69.106 68.868 0.089 0.000 0.921 452 T HN 0.304 nan 8.240 nan 0.000 0.502 453 I N 3.501 124.189 120.570 0.198 0.000 2.436 453 I HA 0.352 4.521 4.170 -0.000 0.000 0.289 453 I C 0.197 176.428 176.117 0.189 0.000 1.010 453 I CA -0.751 60.699 61.300 0.250 0.000 1.098 453 I CB 2.032 40.245 38.000 0.354 0.000 1.266 453 I HN 0.519 nan 8.210 nan 0.000 0.434 454 E N 6.015 126.319 120.200 0.173 0.000 2.089 454 E HA 0.323 4.673 4.350 -0.000 0.000 0.284 454 E C -1.100 175.558 176.600 0.098 0.000 1.023 454 E CA -0.616 55.860 56.400 0.126 0.000 0.819 454 E CB 1.184 30.959 29.700 0.125 0.000 1.076 454 E HN 0.385 nan 8.360 nan 0.000 0.396 455 V N 4.810 124.767 119.914 0.072 0.000 2.470 455 V HA 0.169 4.289 4.120 -0.000 0.000 0.276 455 V C 1.135 177.218 176.094 -0.018 0.000 1.040 455 V CA 0.811 63.128 62.300 0.029 0.000 1.008 455 V CB 1.230 33.056 31.823 0.005 0.000 0.990 455 V HN 0.933 nan 8.190 nan 0.000 0.477 456 G N 3.922 112.706 108.800 -0.027 0.000 2.939 456 G HA2 0.093 4.052 3.960 -0.000 0.000 0.216 456 G HA3 0.093 4.052 3.960 -0.000 0.000 0.216 456 G C 0.424 175.292 174.900 -0.053 0.000 1.125 456 G CA 0.008 45.089 45.100 -0.032 0.000 0.766 456 G HN 0.589 nan 8.290 nan 0.000 0.541 457 N N 0.172 118.831 118.700 -0.068 0.000 2.537 457 N HA 0.054 4.794 4.740 -0.000 0.000 0.281 457 N C 1.105 176.567 175.510 -0.081 0.000 1.097 457 N CA 0.317 53.327 53.050 -0.068 0.000 0.964 457 N CB 1.504 39.964 38.487 -0.044 0.000 1.588 457 N HN -0.030 nan 8.380 nan 0.000 0.511 458 T N -0.824 113.650 114.554 -0.133 0.000 3.007 458 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 458 T C 1.036 175.785 174.700 0.082 0.000 1.107 458 T CA 0.964 62.978 62.100 -0.143 0.000 1.118 458 T CB 0.037 68.752 68.868 -0.255 0.000 0.889 458 T HN 0.354 nan 8.240 nan 0.000 0.506 459 D N 1.825 122.240 120.400 0.025 0.000 2.378 459 D HA 0.164 4.804 4.640 -0.000 0.000 0.227 459 D C 1.214 177.524 176.300 0.017 0.000 1.012 459 D CA 0.311 54.326 54.000 0.025 0.000 0.905 459 D CB -0.342 40.458 40.800 -0.000 0.000 0.895 459 D HN 0.585 nan 8.370 nan 0.000 0.532 460 A N 0.802 123.629 122.820 0.011 0.000 3.003 460 A HA 0.113 4.433 4.320 -0.000 0.000 0.301 460 A C 1.551 179.119 177.584 -0.027 0.000 1.280 460 A CA -0.341 51.675 52.037 -0.034 0.000 0.973 460 A CB -0.161 18.788 19.000 -0.084 0.000 1.110 460 A HN 0.139 nan 8.150 nan 0.000 0.590 461 E N 0.288 120.515 120.200 0.044 0.000 2.208 461 E HA -0.110 4.239 4.350 -0.000 0.000 0.193 461 E C 1.570 178.157 176.600 -0.022 0.000 0.988 461 E CA 1.511 57.941 56.400 0.049 0.000 0.828 461 E CB -0.859 28.893 29.700 0.088 0.000 0.763 461 E HN 0.366 nan 8.360 nan 0.000 0.478 462 G N 2.649 111.431 108.800 -0.031 0.000 2.446 462 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.217 462 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.217 462 G C 1.883 176.751 174.900 -0.053 0.000 1.168 462 G CA 1.511 46.587 45.100 -0.039 0.000 0.771 462 G HN 0.494 nan 8.290 nan 0.000 0.551 463 R N 0.247 120.694 120.500 -0.089 0.000 2.148 463 R HA 0.148 4.488 4.340 -0.000 0.000 0.227 463 R C 2.247 178.522 176.300 -0.040 0.000 1.103 463 R CA 0.949 56.998 56.100 -0.086 0.000 0.983 463 R CB -0.549 29.601 30.300 -0.250 0.000 0.874 463 R HN 0.395 nan 8.270 nan 0.000 0.451 464 L N 1.639 122.806 121.223 -0.094 0.000 2.023 464 L HA -0.098 4.241 4.340 -0.000 0.000 0.205 464 L C 2.838 179.682 176.870 -0.042 0.000 1.073 464 L CA 1.906 56.720 54.840 -0.043 0.000 0.745 464 L CB -0.892 41.149 42.059 -0.031 0.000 0.900 464 L HN 0.411 nan 8.230 nan 0.000 0.435 465 T N -1.657 112.879 114.554 -0.031 0.000 2.788 465 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 465 T C 1.851 176.469 174.700 -0.137 0.000 1.044 465 T CA 1.025 63.094 62.100 -0.052 0.000 1.139 465 T CB -0.529 68.302 68.868 -0.062 0.000 0.867 465 T HN 0.204 nan 8.240 nan 0.000 0.454 466 L N 0.697 121.858 121.223 -0.103 0.000 2.217 466 L HA 0.144 4.483 4.340 -0.000 0.000 0.211 466 L C 3.285 180.072 176.870 -0.138 0.000 1.107 466 L CA 0.820 55.605 54.840 -0.093 0.000 0.783 466 L CB -0.710 41.326 42.059 -0.038 0.000 0.919 466 L HN 0.386 nan 8.230 nan 0.000 0.442 467 A N 0.049 122.716 122.820 -0.254 0.000 1.877 467 A HA -0.224 4.095 4.320 -0.000 0.000 0.216 467 A C 1.960 179.329 177.584 -0.358 0.000 1.186 467 A CA 1.904 53.543 52.037 -0.663 0.000 0.620 467 A CB -0.441 17.695 19.000 -1.440 0.000 0.822 467 A HN 0.320 nan 8.150 nan 0.000 0.443 468 D N -0.002 120.289 120.400 -0.181 0.000 2.117 468 D HA -0.039 4.600 4.640 -0.000 0.000 0.198 468 D C 2.281 178.622 176.300 0.068 0.000 0.982 468 D CA 1.441 55.435 54.000 -0.010 0.000 0.828 468 D CB -0.428 40.419 40.800 0.078 0.000 0.967 468 D HN 0.405 nan 8.370 nan 0.000 0.464 469 A N 1.045 123.891 122.820 0.043 0.000 1.908 469 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 469 A C 2.439 180.119 177.584 0.159 0.000 1.181 469 A CA 1.019 53.148 52.037 0.153 0.000 0.627 469 A CB -0.838 18.155 19.000 -0.013 0.000 0.818 469 A HN 0.202 nan 8.150 nan 0.000 0.445 470 L N -0.662 120.596 121.223 0.058 0.000 2.012 470 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 470 L C 2.571 179.479 176.870 0.064 0.000 1.073 470 L CA 1.382 56.246 54.840 0.039 0.000 0.748 470 L CB -0.780 41.241 42.059 -0.062 0.000 0.891 470 L HN 0.256 nan 8.230 nan 0.000 0.431 471 V N -0.897 119.068 119.914 0.084 0.000 2.287 471 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 471 V C 2.235 178.375 176.094 0.076 0.000 1.053 471 V CA 2.080 64.430 62.300 0.084 0.000 1.027 471 V CB -0.695 31.196 31.823 0.113 0.000 0.646 471 V HN 0.376 nan 8.190 nan 0.000 0.447 472 Y N 1.135 121.425 120.300 -0.016 0.000 2.053 472 Y HA -0.317 4.233 4.550 -0.000 0.000 0.277 472 Y C 2.450 178.322 175.900 -0.048 0.000 1.159 472 Y CA 2.141 60.209 58.100 -0.053 0.000 1.125 472 Y CB -0.622 37.793 38.460 -0.075 0.000 0.969 472 Y HN 0.164 nan 8.280 nan 0.000 0.492 473 A N -0.060 122.892 122.820 0.220 0.000 1.917 473 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 473 A C 2.184 179.755 177.584 -0.022 0.000 1.182 473 A CA 2.119 54.207 52.037 0.085 0.000 0.633 473 A CB -1.006 18.073 19.000 0.131 0.000 0.819 473 A HN 0.685 nan 8.150 nan 0.000 0.448 474 E N -0.172 120.024 120.200 -0.007 0.000 2.153 474 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 474 E C 1.849 178.403 176.600 -0.077 0.000 0.988 474 E CA 1.218 57.602 56.400 -0.027 0.000 0.811 474 E CB -0.089 29.600 29.700 -0.017 0.000 0.746 474 E HN 0.607 nan 8.360 nan 0.000 0.466 475 K N 0.157 120.479 120.400 -0.129 0.000 2.280 475 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 475 K C 2.015 178.502 176.600 -0.189 0.000 1.047 475 K CA 0.711 56.899 56.287 -0.166 0.000 0.942 475 K CB -0.040 32.322 32.500 -0.229 0.000 0.739 475 K HN 0.276 nan 8.250 nan 0.000 0.457 476 L N 0.125 121.211 121.223 -0.228 0.000 2.362 476 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 476 L C 0.970 177.764 176.870 -0.126 0.000 1.134 476 L CA 0.618 55.321 54.840 -0.229 0.000 0.807 476 L CB -0.612 41.227 42.059 -0.366 0.000 0.927 476 L HN 0.356 nan 8.230 nan 0.000 0.447 477 G N 1.171 109.919 108.800 -0.086 0.000 2.368 477 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.290 477 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.290 477 G C 0.025 174.910 174.900 -0.026 0.000 1.098 477 G CA 0.211 45.282 45.100 -0.048 0.000 1.073 477 G HN 0.254 nan 8.290 nan 0.000 0.511 478 V N -3.156 116.750 119.914 -0.013 0.000 3.109 478 V HA 0.723 4.843 4.120 -0.000 0.000 0.317 478 V C 1.037 177.113 176.094 -0.030 0.000 1.074 478 V CA 0.092 62.400 62.300 0.014 0.000 1.033 478 V CB 1.687 33.554 31.823 0.072 0.000 1.111 478 V HN 0.113 nan 8.190 nan 0.000 0.458 479 D N -0.758 119.579 120.400 -0.105 0.000 2.240 479 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 479 D C -0.561 175.562 176.300 -0.296 0.000 0.963 479 D CA 1.656 55.468 54.000 -0.312 0.000 0.863 479 D CB 0.284 40.722 40.800 -0.602 0.000 0.973 479 D HN 0.605 nan 8.370 nan 0.000 0.501 480 Y N -0.063 120.317 120.300 0.132 0.000 2.433 480 Y HA 0.442 4.992 4.550 -0.000 0.000 0.337 480 Y C -0.230 175.778 175.900 0.180 0.000 1.026 480 Y CA -1.007 57.200 58.100 0.177 0.000 1.037 480 Y CB 1.593 40.219 38.460 0.277 0.000 1.245 480 Y HN -0.284 nan 8.280 nan 0.000 0.443 481 I N 3.910 124.702 120.570 0.370 0.000 2.389 481 I HA 0.550 4.720 4.170 -0.000 0.000 0.288 481 I C -0.986 175.282 176.117 0.252 0.000 0.999 481 I CA -1.033 60.456 61.300 0.314 0.000 1.129 481 I CB 1.610 39.820 38.000 0.350 0.000 1.288 481 I HN 0.214 nan 8.210 nan 0.000 0.444 482 V N 4.820 124.811 119.914 0.129 0.000 2.409 482 V HA 0.268 4.388 4.120 -0.000 0.000 0.291 482 V C -0.615 175.526 176.094 0.078 0.000 1.020 482 V CA -0.604 61.677 62.300 -0.031 0.000 0.848 482 V CB 1.772 33.435 31.823 -0.266 0.000 0.990 482 V HN 0.853 nan 8.190 nan 0.000 0.430 483 D N 4.090 124.581 120.400 0.152 0.000 2.181 483 D HA 0.648 5.288 4.640 -0.000 0.000 0.248 483 D C -0.525 175.871 176.300 0.160 0.000 1.020 483 D CA -0.511 53.611 54.000 0.203 0.000 0.891 483 D CB 2.371 43.367 40.800 0.327 0.000 1.187 483 D HN 0.506 nan 8.370 nan 0.000 0.443 484 I N 0.779 121.424 120.570 0.125 0.000 2.545 484 I HA 0.734 4.904 4.170 -0.000 0.000 0.292 484 I C -1.644 174.530 176.117 0.096 0.000 1.040 484 I CA -0.682 60.678 61.300 0.100 0.000 1.068 484 I CB 1.385 39.427 38.000 0.069 0.000 1.251 484 I HN 0.780 nan 8.210 nan 0.000 0.424 485 A N 3.396 126.272 122.820 0.093 0.000 2.555 485 A HA 0.482 4.802 4.320 -0.000 0.000 0.297 485 A C -0.397 177.192 177.584 0.009 0.000 1.060 485 A CA -0.412 51.662 52.037 0.061 0.000 0.710 485 A CB 1.125 20.213 19.000 0.146 0.000 1.282 485 A HN 0.709 nan 8.150 nan 0.000 0.399 486 T N 1.350 115.838 114.554 -0.111 0.000 4.219 486 T HA 0.282 4.632 4.350 -0.000 0.000 0.263 486 T C 0.795 175.470 174.700 -0.043 0.000 1.217 486 T CA 0.067 62.062 62.100 -0.174 0.000 1.145 486 T CB -0.471 68.048 68.868 -0.582 0.000 1.298 486 T HN 0.555 nan 8.240 nan 0.000 0.999 487 L N 2.594 123.850 121.223 0.055 0.000 2.145 487 L HA 0.284 4.623 4.340 -0.000 0.000 0.201 487 L C 1.207 178.128 176.870 0.085 0.000 1.075 487 L CA 1.126 56.019 54.840 0.087 0.000 0.773 487 L CB 0.132 42.301 42.059 0.185 0.000 0.936 487 L HN 0.824 nan 8.230 nan 0.000 0.451 488 T N -4.684 109.938 114.554 0.113 0.000 2.921 488 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 488 T C 0.925 175.710 174.700 0.141 0.000 1.013 488 T CA -0.330 61.837 62.100 0.112 0.000 0.990 488 T CB 1.367 70.298 68.868 0.105 0.000 1.023 488 T HN 0.117 nan 8.240 nan 0.000 0.447 489 G N 1.510 110.392 108.800 0.137 0.000 2.450 489 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.220 489 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.220 489 G C 1.675 176.707 174.900 0.220 0.000 1.130 489 G CA 0.766 45.968 45.100 0.169 0.000 0.760 489 G HN 1.216 nan 8.290 nan 0.000 0.557 490 A N 0.750 123.687 122.820 0.194 0.000 1.997 490 A HA -0.131 4.188 4.320 -0.000 0.000 0.221 490 A C 2.393 180.125 177.584 0.246 0.000 1.172 490 A CA 2.071 54.247 52.037 0.231 0.000 0.645 490 A CB -0.352 18.733 19.000 0.142 0.000 0.813 490 A HN 0.315 nan 8.150 nan 0.000 0.454 491 M N -0.502 119.216 119.600 0.196 0.000 2.144 491 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 491 M C 2.000 178.359 176.300 0.100 0.000 1.067 491 M CA 1.176 56.573 55.300 0.161 0.000 1.095 491 M CB -1.473 31.217 32.600 0.150 0.000 1.365 491 M HN 0.436 nan 8.290 nan 0.000 0.406 492 L N -1.898 119.365 121.223 0.067 0.000 2.261 492 L HA -0.231 4.108 4.340 -0.000 0.000 0.216 492 L C 1.743 178.462 176.870 -0.251 0.000 1.114 492 L CA 1.185 55.954 54.840 -0.119 0.000 0.777 492 L CB -0.582 41.336 42.059 -0.235 0.000 0.910 492 L HN 0.262 nan 8.230 nan 0.000 0.440 493 Y N -1.916 118.386 120.300 0.003 0.000 2.442 493 Y HA -0.009 4.541 4.550 -0.000 0.000 0.250 493 Y C 2.592 178.485 175.900 -0.011 0.000 1.113 493 Y CA 0.499 58.592 58.100 -0.011 0.000 1.273 493 Y CB 0.286 38.742 38.460 -0.006 0.000 1.138 493 Y HN 0.162 nan 8.280 nan 0.000 0.522 494 S N -0.640 115.137 115.700 0.128 0.000 2.433 494 S HA 0.050 4.519 4.470 -0.000 0.000 0.216 494 S C 1.474 176.064 174.600 -0.017 0.000 1.031 494 S CA 0.461 58.701 58.200 0.066 0.000 0.931 494 S CB -0.564 62.699 63.200 0.105 0.000 0.875 494 S HN 0.293 nan 8.310 nan 0.000 0.553 495 L N 1.181 122.401 121.223 -0.005 0.000 2.556 495 L HA 0.422 4.762 4.340 -0.000 0.000 0.226 495 L C 1.584 178.417 176.870 -0.062 0.000 1.089 495 L CA 0.327 55.133 54.840 -0.057 0.000 0.864 495 L CB -0.469 41.607 42.059 0.029 0.000 1.067 495 L HN 0.748 nan 8.230 nan 0.000 0.477 496 G N 1.036 109.812 108.800 -0.041 0.000 2.499 496 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.232 496 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.232 496 G C 0.569 175.469 174.900 -0.000 0.000 1.251 496 G CA 0.170 45.231 45.100 -0.064 0.000 0.917 496 G HN 0.191 nan 8.290 nan 0.000 0.580 497 T N -2.740 111.828 114.554 0.023 0.000 3.086 497 T HA 0.488 4.838 4.350 -0.000 0.000 0.250 497 T C 2.002 176.772 174.700 0.116 0.000 1.074 497 T CA 1.673 63.835 62.100 0.104 0.000 0.988 497 T CB 0.471 69.436 68.868 0.163 0.000 0.988 497 T HN 0.649 nan 8.240 nan 0.000 0.530 498 S N -0.353 115.428 115.700 0.134 0.000 2.506 498 S HA 0.323 4.793 4.470 -0.000 0.000 0.230 498 S C -0.187 174.643 174.600 0.384 0.000 1.066 498 S CA -0.276 58.078 58.200 0.258 0.000 0.940 498 S CB -0.003 63.383 63.200 0.309 0.000 0.818 498 S HN 0.620 nan 8.310 nan 0.000 0.518 499 Y N 1.238 121.552 120.300 0.023 0.000 2.335 499 Y HA 0.625 5.175 4.550 -0.000 0.000 0.338 499 Y C 0.392 176.286 175.900 -0.010 0.000 0.977 499 Y CA -1.263 56.876 58.100 0.065 0.000 1.114 499 Y CB 1.102 39.617 38.460 0.091 0.000 1.182 499 Y HN 0.165 nan 8.280 nan 0.000 0.463 500 A N 2.392 125.246 122.820 0.056 0.000 2.296 500 A HA 0.667 4.987 4.320 -0.000 0.000 0.264 500 A C 0.354 178.002 177.584 0.105 0.000 1.097 500 A CA 0.042 52.058 52.037 -0.034 0.000 0.811 500 A CB 0.087 18.993 19.000 -0.157 0.000 1.072 500 A HN 0.840 nan 8.150 nan 0.000 0.495 501 G N -1.289 107.551 108.800 0.067 0.000 2.415 501 G HA2 0.532 4.492 3.960 -0.000 0.000 0.327 501 G HA3 0.532 4.492 3.960 -0.000 0.000 0.327 501 G C -1.052 173.795 174.900 -0.089 0.000 1.182 501 G CA -0.234 44.863 45.100 -0.005 0.000 0.924 501 G HN 1.272 nan 8.290 nan 0.000 0.470 502 V N 2.803 122.595 119.914 -0.203 0.000 2.513 502 V HA 0.879 4.998 4.120 -0.000 0.000 0.299 502 V C -1.179 174.769 176.094 -0.243 0.000 1.035 502 V CA -0.897 61.307 62.300 -0.161 0.000 0.889 502 V CB 0.937 32.663 31.823 -0.162 0.000 0.988 502 V HN 0.556 nan 8.190 nan 0.000 0.440 503 F N 4.220 124.141 119.950 -0.049 0.000 2.620 503 F HA 1.002 5.529 4.527 -0.000 0.000 0.320 503 F C 0.665 176.322 175.800 -0.239 0.000 1.069 503 F CA -0.017 58.010 58.000 0.044 0.000 0.953 503 F CB 2.508 41.590 39.000 0.137 0.000 1.322 503 F HN 0.859 nan 8.300 nan 0.000 0.479 504 G N 0.537 109.354 108.800 0.028 0.000 2.342 504 G HA2 0.230 4.190 3.960 -0.000 0.000 0.297 504 G HA3 0.230 4.190 3.960 -0.000 0.000 0.297 504 G C -1.386 173.570 174.900 0.094 0.000 1.313 504 G CA -0.762 44.157 45.100 -0.301 0.000 0.830 504 G HN 0.664 nan 8.290 nan 0.000 0.506 505 N N -0.450 118.372 118.700 0.203 0.000 2.205 505 N HA 0.125 4.865 4.740 -0.000 0.000 0.201 505 N C -0.024 175.592 175.510 0.176 0.000 1.128 505 N CA -0.219 53.008 53.050 0.294 0.000 0.867 505 N CB 0.694 39.438 38.487 0.428 0.000 0.996 505 N HN 0.472 nan 8.380 nan 0.000 0.503 506 N N 0.141 118.896 118.700 0.091 0.000 2.519 506 N HA -0.039 4.701 4.740 -0.000 0.000 0.291 506 N C -0.379 175.087 175.510 -0.074 0.000 1.107 506 N CA 0.057 53.133 53.050 0.044 0.000 0.904 506 N CB 2.135 40.674 38.487 0.085 0.000 1.500 506 N HN 0.014 nan 8.380 nan 0.000 0.510 507 E N 1.882 122.038 120.200 -0.073 0.000 2.072 507 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 507 E C 1.252 177.710 176.600 -0.238 0.000 0.985 507 E CA 2.072 58.349 56.400 -0.206 0.000 0.801 507 E CB -0.185 29.461 29.700 -0.090 0.000 0.750 507 E HN 0.644 nan 8.360 nan 0.000 0.452 508 E N -0.369 119.763 120.200 -0.114 0.000 2.058 508 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 508 E C 2.173 178.681 176.600 -0.154 0.000 0.997 508 E CA 1.245 57.588 56.400 -0.095 0.000 0.801 508 E CB -0.777 28.925 29.700 0.003 0.000 0.746 508 E HN 0.478 nan 8.360 nan 0.000 0.450 509 L N 0.294 121.425 121.223 -0.153 0.000 2.046 509 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 509 L C 2.267 178.939 176.870 -0.331 0.000 1.077 509 L CA 1.680 56.365 54.840 -0.258 0.000 0.747 509 L CB -0.622 41.321 42.059 -0.192 0.000 0.896 509 L HN 0.265 nan 8.230 nan 0.000 0.432 510 I N 0.093 120.423 120.570 -0.401 0.000 2.151 510 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 510 I C 2.166 177.987 176.117 -0.493 0.000 1.080 510 I CA 1.474 62.439 61.300 -0.559 0.000 1.339 510 I CB -0.601 36.834 38.000 -0.943 0.000 1.039 510 I HN 0.378 nan 8.210 nan 0.000 0.409 511 N N 0.850 119.290 118.700 -0.434 0.000 2.166 511 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 511 N C 1.733 177.120 175.510 -0.205 0.000 1.019 511 N CA 1.192 54.054 53.050 -0.312 0.000 0.856 511 N CB -0.208 38.137 38.487 -0.237 0.000 0.993 511 N HN 0.430 nan 8.380 nan 0.000 0.426 512 K N 0.499 120.797 120.400 -0.169 0.000 2.057 512 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 512 K C 1.853 178.437 176.600 -0.027 0.000 1.049 512 K CA 0.643 56.895 56.287 -0.058 0.000 0.931 512 K CB 0.025 32.530 32.500 0.009 0.000 0.714 512 K HN 0.112 nan 8.250 nan 0.000 0.440 513 I N 1.473 121.937 120.570 -0.177 0.000 2.286 513 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 513 I C 2.225 178.244 176.117 -0.163 0.000 1.115 513 I CA 1.400 62.566 61.300 -0.224 0.000 1.392 513 I CB -0.939 36.856 38.000 -0.341 0.000 1.065 513 I HN 0.172 nan 8.210 nan 0.000 0.418 514 L N -0.132 120.975 121.223 -0.193 0.000 2.109 514 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 514 L C 2.622 179.423 176.870 -0.115 0.000 1.086 514 L CA 0.972 55.710 54.840 -0.170 0.000 0.760 514 L CB -0.571 41.358 42.059 -0.216 0.000 0.910 514 L HN 0.223 nan 8.230 nan 0.000 0.437 515 Q N 0.344 120.087 119.800 -0.095 0.000 2.084 515 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 515 Q C 2.252 178.232 176.000 -0.033 0.000 0.978 515 Q CA 2.159 57.927 55.803 -0.057 0.000 0.844 515 Q CB -0.162 28.547 28.738 -0.047 0.000 0.898 515 Q HN 0.356 nan 8.270 nan 0.000 0.426 516 S N -0.451 115.240 115.700 -0.015 0.000 2.399 516 S HA -0.154 4.315 4.470 -0.000 0.000 0.231 516 S C 1.927 176.505 174.600 -0.036 0.000 1.022 516 S CA 1.039 59.244 58.200 0.008 0.000 0.983 516 S CB -0.520 62.716 63.200 0.061 0.000 0.803 516 S HN 0.519 nan 8.310 nan 0.000 0.480 517 S N 1.521 117.180 115.700 -0.068 0.000 2.368 517 S HA -0.079 4.390 4.470 -0.000 0.000 0.224 517 S C 1.901 176.447 174.600 -0.090 0.000 1.029 517 S CA 0.889 59.034 58.200 -0.092 0.000 0.988 517 S CB -0.199 62.945 63.200 -0.094 0.000 0.838 517 S HN 0.328 nan 8.310 nan 0.000 0.462 518 K N 0.483 120.841 120.400 -0.071 0.000 2.026 518 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 518 K C 2.470 179.040 176.600 -0.049 0.000 1.048 518 K CA 1.881 58.131 56.287 -0.062 0.000 0.929 518 K CB -0.918 31.555 32.500 -0.044 0.000 0.713 518 K HN 0.753 nan 8.250 nan 0.000 0.439 519 T N -1.461 113.080 114.554 -0.020 0.000 3.043 519 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 519 T C 2.032 176.762 174.700 0.049 0.000 1.094 519 T CA 1.157 63.266 62.100 0.014 0.000 1.127 519 T CB -0.052 68.833 68.868 0.028 0.000 0.905 519 T HN 0.164 nan 8.240 nan 0.000 0.490 520 S N 1.472 117.188 115.700 0.026 0.000 2.501 520 S HA 0.084 4.553 4.470 -0.000 0.000 0.220 520 S C 1.126 175.734 174.600 0.014 0.000 0.997 520 S CA 0.174 58.405 58.200 0.050 0.000 0.919 520 S CB -0.626 62.549 63.200 -0.041 0.000 0.778 520 S HN 0.543 nan 8.310 nan 0.000 0.523 521 N N 1.320 119.964 118.700 -0.094 0.000 2.800 521 N HA -0.133 4.607 4.740 -0.000 0.000 0.250 521 N C -1.226 174.155 175.510 -0.215 0.000 1.078 521 N CA 0.995 53.889 53.050 -0.261 0.000 0.804 521 N CB -1.257 36.883 38.487 -0.578 0.000 1.135 521 N HN 0.717 nan 8.380 nan 0.000 0.565 522 E N 1.308 121.399 120.200 -0.180 0.000 2.046 522 E HA 0.241 4.591 4.350 -0.000 0.000 0.279 522 E C -2.311 174.217 176.600 -0.120 0.000 0.989 522 E CA -1.519 54.725 56.400 -0.260 0.000 0.798 522 E CB 1.129 30.420 29.700 -0.681 0.000 1.086 522 E HN 0.141 nan 8.360 nan 0.000 0.399 523 P HA 0.132 nan 4.420 nan 0.000 0.280 523 P C -0.556 176.680 177.300 -0.108 0.000 1.244 523 P CA -0.228 62.694 63.100 -0.297 0.000 0.784 523 P CB 1.270 32.468 31.700 -0.836 0.000 0.913 524 V N 3.832 123.693 119.914 -0.088 0.000 2.925 524 V HA 0.490 4.609 4.120 -0.000 0.000 0.311 524 V C -0.840 175.381 176.094 0.210 0.000 1.104 524 V CA -0.576 61.781 62.300 0.095 0.000 0.954 524 V CB 3.101 34.960 31.823 0.061 0.000 1.022 524 V HN 0.670 nan 8.190 nan 0.000 0.427 525 W N 3.319 124.670 121.300 0.084 0.000 2.883 525 W HA 0.439 5.099 4.660 -0.000 0.000 0.335 525 W C -1.609 174.945 176.519 0.059 0.000 1.083 525 W CA -0.837 56.583 57.345 0.126 0.000 1.233 525 W CB 2.122 31.707 29.460 0.208 0.000 1.412 525 W HN 0.748 nan 8.180 nan 0.000 0.490 526 W N 7.463 128.487 121.300 -0.460 0.000 2.311 526 W HA 0.504 5.164 4.660 -0.000 0.000 0.310 526 W C -1.411 174.967 176.519 -0.235 0.000 1.274 526 W CA -0.686 56.431 57.345 -0.381 0.000 1.215 526 W CB 0.123 29.335 29.460 -0.412 0.000 1.227 526 W HN 0.182 nan 8.180 nan 0.000 0.523 527 L N 9.043 130.120 121.223 -0.243 0.000 2.341 527 L HA 0.549 4.889 4.340 -0.000 0.000 0.267 527 L C -1.814 174.860 176.870 -0.327 0.000 1.009 527 L CA -2.230 52.374 54.840 -0.394 0.000 0.819 527 L CB 2.553 44.182 42.059 -0.716 0.000 1.323 527 L HN 0.273 nan 8.230 nan 0.000 0.425 528 P HA 0.332 nan 4.420 nan 0.000 0.282 528 P C -0.960 176.518 177.300 0.296 0.000 1.259 528 P CA -0.397 62.701 63.100 -0.003 0.000 0.826 528 P CB 1.428 33.075 31.700 -0.089 0.000 1.064 529 I N 2.805 123.548 120.570 0.289 0.000 2.306 529 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 529 I C 0.496 176.683 176.117 0.117 0.000 1.036 529 I CA -0.562 60.910 61.300 0.287 0.000 1.221 529 I CB 0.315 38.511 38.000 0.327 0.000 1.385 529 I HN 0.090 nan 8.210 nan 0.000 0.472 530 I N 6.647 127.229 120.570 0.020 0.000 2.308 530 I HA 0.098 4.267 4.170 -0.000 0.000 0.293 530 I C 1.156 177.139 176.117 -0.224 0.000 1.078 530 I CA -0.252 60.913 61.300 -0.226 0.000 1.292 530 I CB 0.443 38.089 38.000 -0.590 0.000 1.423 530 I HN 0.568 nan 8.210 nan 0.000 0.493 531 N N 4.282 122.913 118.700 -0.114 0.000 2.443 531 N HA -0.183 4.557 4.740 -0.000 0.000 0.184 531 N C 1.521 176.992 175.510 -0.065 0.000 1.037 531 N CA 0.866 53.888 53.050 -0.047 0.000 0.896 531 N CB 0.096 38.578 38.487 -0.008 0.000 0.959 531 N HN 0.614 nan 8.380 nan 0.000 0.442 532 E N 0.006 120.100 120.200 -0.176 0.000 2.204 532 E HA -0.103 4.246 4.350 -0.000 0.000 0.194 532 E C 0.979 177.632 176.600 0.088 0.000 0.989 532 E CA 0.621 56.971 56.400 -0.084 0.000 0.824 532 E CB 0.015 29.642 29.700 -0.121 0.000 0.756 532 E HN 0.546 nan 8.360 nan 0.000 0.477 533 Y N -0.931 119.401 120.300 0.055 0.000 2.561 533 Y HA -0.046 4.504 4.550 -0.000 0.000 0.291 533 Y C 2.293 178.227 175.900 0.057 0.000 1.141 533 Y CA -0.107 58.027 58.100 0.056 0.000 1.303 533 Y CB 0.136 38.637 38.460 0.068 0.000 1.015 533 Y HN -0.012 nan 8.280 nan 0.000 0.547 534 R N 1.920 122.526 120.500 0.176 0.000 2.103 534 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 534 R C 2.231 178.592 176.300 0.103 0.000 1.142 534 R CA 1.697 57.870 56.100 0.123 0.000 0.960 534 R CB -0.943 29.400 30.300 0.072 0.000 0.858 534 R HN 0.245 nan 8.270 nan 0.000 0.439 535 A N -1.017 121.857 122.820 0.091 0.000 2.032 535 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 535 A C 2.302 179.929 177.584 0.072 0.000 1.165 535 A CA 2.181 54.259 52.037 0.068 0.000 0.645 535 A CB -1.264 17.771 19.000 0.059 0.000 0.807 535 A HN 0.509 nan 8.150 nan 0.000 0.453 536 T N -0.661 113.949 114.554 0.093 0.000 2.977 536 T HA 0.006 4.356 4.350 -0.000 0.000 0.271 536 T C 1.242 175.988 174.700 0.076 0.000 1.105 536 T CA 1.210 63.354 62.100 0.073 0.000 1.116 536 T CB -0.435 68.472 68.868 0.065 0.000 0.878 536 T HN 0.417 nan 8.240 nan 0.000 0.509 537 L N 0.951 122.232 121.223 0.097 0.000 2.628 537 L HA 0.271 4.611 4.340 -0.000 0.000 0.229 537 L C 0.253 177.178 176.870 0.091 0.000 1.137 537 L CA -0.338 54.571 54.840 0.115 0.000 0.909 537 L CB -0.121 42.037 42.059 0.166 0.000 1.137 537 L HN -0.024 nan 8.230 nan 0.000 0.470 538 N N 1.297 120.033 118.700 0.061 0.000 2.498 538 N HA -0.020 4.720 4.740 -0.000 0.000 0.277 538 N C 0.225 175.754 175.510 0.032 0.000 1.208 538 N CA 0.226 53.298 53.050 0.037 0.000 1.029 538 N CB 0.480 38.978 38.487 0.019 0.000 1.403 538 N HN 0.001 nan 8.380 nan 0.000 0.500 539 S N 1.148 116.877 115.700 0.049 0.000 2.560 539 S HA 0.007 4.477 4.470 -0.000 0.000 0.284 539 S C 1.476 176.073 174.600 -0.006 0.000 1.327 539 S CA -0.359 57.873 58.200 0.052 0.000 1.055 539 S CB 0.764 64.022 63.200 0.096 0.000 0.868 539 S HN 0.436 nan 8.310 nan 0.000 0.506 540 K N 3.311 123.680 120.400 -0.051 0.000 2.209 540 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 540 K C 0.564 176.887 176.600 -0.461 0.000 1.048 540 K CA 1.843 57.965 56.287 -0.275 0.000 0.940 540 K CB -0.205 32.067 32.500 -0.379 0.000 0.729 540 K HN 0.802 nan 8.250 nan 0.000 0.451 541 Y N -1.754 118.560 120.300 0.023 0.000 2.701 541 Y HA 0.458 5.008 4.550 -0.000 0.000 0.275 541 Y C 0.828 176.745 175.900 0.029 0.000 1.133 541 Y CA 0.006 58.120 58.100 0.022 0.000 1.241 541 Y CB -0.138 38.334 38.460 0.020 0.000 1.389 541 Y HN -0.019 nan 8.280 nan 0.000 0.486 542 A N 0.286 123.222 122.820 0.194 0.000 2.240 542 A HA 0.213 4.533 4.320 -0.000 0.000 0.292 542 A C 0.740 178.376 177.584 0.087 0.000 1.121 542 A CA 0.082 52.200 52.037 0.134 0.000 0.851 542 A CB 0.019 19.105 19.000 0.142 0.000 1.167 542 A HN 0.270 nan 8.150 nan 0.000 0.503 543 D N -0.788 119.656 120.400 0.073 0.000 2.117 543 D HA -0.008 4.632 4.640 -0.000 0.000 0.197 543 D C 0.402 176.725 176.300 0.039 0.000 0.987 543 D CA 1.743 55.765 54.000 0.037 0.000 0.829 543 D CB 0.050 40.858 40.800 0.012 0.000 0.961 543 D HN 0.420 nan 8.370 nan 0.000 0.460 544 I N -0.263 120.360 120.570 0.090 0.000 2.827 544 I HA 0.143 4.313 4.170 -0.000 0.000 0.298 544 I C -1.325 174.914 176.117 0.203 0.000 1.235 544 I CA -0.767 60.607 61.300 0.125 0.000 1.021 544 I CB 1.999 40.055 38.000 0.092 0.000 1.259 544 I HN -0.319 nan 8.210 nan 0.000 0.427 545 N N 4.821 123.639 118.700 0.197 0.000 2.525 545 N HA 0.114 4.853 4.740 -0.000 0.000 0.271 545 N C 0.371 176.047 175.510 0.277 0.000 1.194 545 N CA -0.067 53.099 53.050 0.193 0.000 0.964 545 N CB 1.569 40.133 38.487 0.129 0.000 1.126 545 N HN 0.662 nan 8.380 nan 0.000 0.452 546 Q N 1.971 121.849 119.800 0.130 0.000 2.049 546 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 546 Q C 0.367 176.251 176.000 -0.193 0.000 0.971 546 Q CA 1.155 56.854 55.803 -0.172 0.000 0.833 546 Q CB 0.188 28.819 28.738 -0.179 0.000 0.896 546 Q HN 0.747 nan 8.270 nan 0.000 0.434 547 I N -3.136 117.399 120.570 -0.059 0.000 3.170 547 I HA 0.515 4.685 4.170 -0.000 0.000 0.312 547 I C -0.365 175.762 176.117 0.015 0.000 1.085 547 I CA -1.233 60.046 61.300 -0.035 0.000 0.999 547 I CB 2.025 39.996 38.000 -0.049 0.000 1.233 547 I HN -0.200 nan 8.210 nan 0.000 0.467 548 S N 0.435 116.142 115.700 0.010 0.000 2.585 548 S HA 0.362 4.832 4.470 -0.000 0.000 0.277 548 S C 0.904 175.500 174.600 -0.007 0.000 1.241 548 S CA 0.001 58.207 58.200 0.010 0.000 1.041 548 S CB 1.127 64.325 63.200 -0.004 0.000 0.987 548 S HN 0.848 nan 8.310 nan 0.000 0.512 549 S N 2.636 118.333 115.700 -0.004 0.000 2.470 549 S HA 0.003 4.473 4.470 -0.000 0.000 0.222 549 S C 1.655 176.241 174.600 -0.023 0.000 1.024 549 S CA 0.720 58.913 58.200 -0.011 0.000 0.931 549 S CB -0.409 62.790 63.200 -0.001 0.000 0.791 549 S HN 0.757 nan 8.310 nan 0.000 0.513 550 S N 1.336 117.019 115.700 -0.028 0.000 2.541 550 S HA 0.261 4.731 4.470 -0.000 0.000 0.219 550 S C 0.577 175.130 174.600 -0.077 0.000 1.025 550 S CA 0.115 58.289 58.200 -0.044 0.000 0.917 550 S CB -1.089 62.091 63.200 -0.033 0.000 0.859 550 S HN 0.237 nan 8.310 nan 0.000 0.584 551 V N 4.056 123.905 119.914 -0.108 0.000 2.555 551 V HA -0.017 4.103 4.120 -0.000 0.000 0.299 551 V C 1.209 177.208 176.094 -0.158 0.000 1.012 551 V CA 0.624 62.803 62.300 -0.202 0.000 1.180 551 V CB -0.100 31.546 31.823 -0.295 0.000 0.887 551 V HN 0.492 nan 8.190 nan 0.000 0.476 552 K N 3.759 124.067 120.400 -0.154 0.000 2.366 552 K HA 0.128 4.448 4.320 -0.000 0.000 0.198 552 K C 1.335 177.885 176.600 -0.084 0.000 1.044 552 K CA 0.757 56.979 56.287 -0.108 0.000 0.973 552 K CB 0.143 32.583 32.500 -0.100 0.000 0.767 552 K HN 0.779 nan 8.250 nan 0.000 0.475 553 A N 2.066 124.818 122.820 -0.113 0.000 3.046 553 A HA 0.015 4.335 4.320 -0.000 0.000 0.259 553 A C 1.408 179.014 177.584 0.035 0.000 1.843 553 A CA 0.062 52.088 52.037 -0.019 0.000 1.451 553 A CB -0.723 18.271 19.000 -0.011 0.000 1.025 553 A HN 0.300 nan 8.150 nan 0.000 0.625 554 S N -0.146 115.572 115.700 0.031 0.000 2.423 554 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 554 S C 1.756 176.391 174.600 0.057 0.000 1.014 554 S CA 1.430 59.650 58.200 0.033 0.000 0.965 554 S CB -0.333 62.877 63.200 0.017 0.000 0.785 554 S HN 0.577 nan 8.310 nan 0.000 0.495 555 S N 1.969 117.727 115.700 0.097 0.000 2.423 555 S HA 0.153 4.623 4.470 -0.000 0.000 0.231 555 S C 1.694 176.251 174.600 -0.071 0.000 1.014 555 S CA 1.072 59.309 58.200 0.062 0.000 0.965 555 S CB -0.448 62.901 63.200 0.249 0.000 0.785 555 S HN 0.519 nan 8.310 nan 0.000 0.495 556 I N 0.917 121.567 120.570 0.133 0.000 2.333 556 I HA -0.083 4.087 4.170 -0.000 0.000 0.246 556 I C 2.157 178.369 176.117 0.159 0.000 1.106 556 I CA 0.651 62.072 61.300 0.202 0.000 1.411 556 I CB -0.359 37.893 38.000 0.420 0.000 1.082 556 I HN 0.119 nan 8.210 nan 0.000 0.420 557 V N 1.201 121.212 119.914 0.162 0.000 2.295 557 V HA -0.314 3.805 4.120 -0.000 0.000 0.246 557 V C 2.761 178.940 176.094 0.141 0.000 1.049 557 V CA 2.041 64.436 62.300 0.158 0.000 1.024 557 V CB -1.113 30.768 31.823 0.097 0.000 0.648 557 V HN 0.495 nan 8.190 nan 0.000 0.447 558 A N -0.293 122.571 122.820 0.073 0.000 1.948 558 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 558 A C 2.449 180.094 177.584 0.100 0.000 1.177 558 A CA 2.426 54.502 52.037 0.066 0.000 0.636 558 A CB -0.644 18.362 19.000 0.011 0.000 0.815 558 A HN 0.538 nan 8.150 nan 0.000 0.449 559 S N -0.429 115.286 115.700 0.025 0.000 2.406 559 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 559 S C 1.726 176.479 174.600 0.255 0.000 1.020 559 S CA 1.067 59.343 58.200 0.127 0.000 0.965 559 S CB -0.357 62.834 63.200 -0.015 0.000 0.798 559 S HN 0.504 nan 8.310 nan 0.000 0.488 560 L N 0.145 121.496 121.223 0.214 0.000 2.083 560 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 560 L C 2.147 179.113 176.870 0.160 0.000 1.083 560 L CA 1.298 56.255 54.840 0.195 0.000 0.752 560 L CB -0.446 41.728 42.059 0.192 0.000 0.899 560 L HN 0.282 nan 8.230 nan 0.000 0.433 561 F N 0.497 120.496 119.950 0.083 0.000 2.060 561 F HA -0.207 4.320 4.527 -0.000 0.000 0.295 561 F C 2.213 178.102 175.800 0.148 0.000 1.120 561 F CA 1.564 59.630 58.000 0.110 0.000 1.205 561 F CB -0.185 38.872 39.000 0.095 0.000 0.986 561 F HN -0.170 nan 8.300 nan 0.000 0.470 562 L N 0.521 121.863 121.223 0.198 0.000 2.127 562 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 562 L C 2.495 179.130 176.870 -0.392 0.000 1.089 562 L CA 1.724 56.550 54.840 -0.023 0.000 0.757 562 L CB -0.851 41.206 42.059 -0.004 0.000 0.899 562 L HN 0.196 nan 8.230 nan 0.000 0.434 563 K N 0.258 120.448 120.400 -0.351 0.000 2.211 563 K HA -0.179 4.140 4.320 -0.000 0.000 0.204 563 K C 1.738 178.100 176.600 -0.397 0.000 1.047 563 K CA 1.036 57.027 56.287 -0.493 0.000 0.935 563 K CB 0.121 32.629 32.500 0.013 0.000 0.728 563 K HN 0.285 nan 8.250 nan 0.000 0.452 564 E N -0.381 119.586 120.200 -0.389 0.000 2.472 564 E HA -0.132 4.217 4.350 -0.000 0.000 0.200 564 E C 0.568 176.658 176.600 -0.851 0.000 1.046 564 E CA 0.755 56.798 56.400 -0.594 0.000 0.871 564 E CB 0.080 29.326 29.700 -0.756 0.000 0.806 564 E HN 0.367 nan 8.360 nan 0.000 0.533 565 F N -0.193 119.500 119.950 -0.429 0.000 2.639 565 F HA 0.132 4.659 4.527 -0.001 0.000 0.302 565 F C 0.304 175.910 175.800 -0.322 0.000 1.097 565 F CA -0.137 57.657 58.000 -0.344 0.000 1.294 565 F CB 0.954 39.760 39.000 -0.324 0.000 1.027 565 F HN -0.315 nan 8.300 nan 0.000 0.550 566 V N 0.463 120.206 119.914 -0.286 0.000 2.409 566 V HA 0.248 4.367 4.120 -0.000 0.000 0.290 566 V C 0.273 176.273 176.094 -0.156 0.000 1.017 566 V CA -0.513 61.651 62.300 -0.227 0.000 0.841 566 V CB 1.657 33.264 31.823 -0.360 0.000 1.003 566 V HN -0.041 nan 8.190 nan 0.000 0.426 567 Q N 3.105 122.845 119.800 -0.101 0.000 2.134 567 Q HA 0.154 4.494 4.340 -0.000 0.000 0.195 567 Q C 1.234 177.213 176.000 -0.035 0.000 0.958 567 Q CA 1.390 57.144 55.803 -0.082 0.000 0.840 567 Q CB 0.144 28.835 28.738 -0.078 0.000 0.918 567 Q HN 0.777 nan 8.270 nan 0.000 0.467 568 N N -0.774 117.918 118.700 -0.012 0.000 2.545 568 N HA 0.165 4.904 4.740 -0.000 0.000 0.283 568 N C -1.760 173.769 175.510 0.033 0.000 1.596 568 N CA 0.002 53.057 53.050 0.009 0.000 0.862 568 N CB 0.925 39.408 38.487 -0.006 0.000 1.422 568 N HN -0.090 nan 8.380 nan 0.000 0.489 569 T N -0.268 114.325 114.554 0.065 0.000 2.912 569 T HA 0.645 4.995 4.350 -0.000 0.000 0.299 569 T C -0.468 174.350 174.700 0.197 0.000 1.052 569 T CA -0.594 61.570 62.100 0.107 0.000 0.996 569 T CB 1.766 70.695 68.868 0.101 0.000 1.070 569 T HN 0.221 nan 8.240 nan 0.000 0.465 570 A N 2.396 125.351 122.820 0.225 0.000 2.524 570 A HA 0.464 4.784 4.320 -0.000 0.000 0.250 570 A C -0.738 177.075 177.584 0.381 0.000 1.078 570 A CA -0.070 52.145 52.037 0.297 0.000 0.761 570 A CB -0.366 18.857 19.000 0.371 0.000 1.012 570 A HN 0.856 nan 8.150 nan 0.000 0.500 571 W N 2.506 123.877 121.300 0.118 0.000 3.129 571 W HA 0.618 5.277 4.660 -0.001 0.000 0.333 571 W C -0.635 175.932 176.519 0.078 0.000 1.141 571 W CA 0.061 57.466 57.345 0.100 0.000 1.224 571 W CB 1.307 30.825 29.460 0.096 0.000 1.393 571 W HN 0.947 nan 8.180 nan 0.000 0.499 572 A N 3.457 125.769 122.820 -0.846 0.000 2.527 572 A HA 0.720 5.040 4.320 -0.000 0.000 0.293 572 A C -2.198 174.874 177.584 -0.854 0.000 1.117 572 A CA -0.674 50.784 52.037 -0.965 0.000 0.723 572 A CB 1.740 20.432 19.000 -0.513 0.000 1.313 572 A HN 0.993 nan 8.150 nan 0.000 0.411 573 H N 0.248 118.946 119.070 -0.621 0.000 2.934 573 H HA 0.628 5.184 4.556 -0.000 0.000 0.340 573 H C -1.781 173.557 175.328 0.017 0.000 1.008 573 H CA -0.720 55.211 56.048 -0.194 0.000 1.317 573 H CB 0.641 30.369 29.762 -0.058 0.000 1.670 573 H HN 0.489 nan 8.280 nan 0.000 0.516 574 I N 4.254 124.731 120.570 -0.155 0.000 2.307 574 I HA 0.165 4.335 4.170 -0.000 0.000 0.289 574 I C -0.169 175.825 176.117 -0.206 0.000 1.021 574 I CA -0.653 60.553 61.300 -0.157 0.000 1.224 574 I CB 1.128 39.106 38.000 -0.035 0.000 1.376 574 I HN 0.567 nan 8.210 nan 0.000 0.470 575 D N 7.829 128.100 120.400 -0.214 0.000 2.380 575 D HA 0.234 4.874 4.640 -0.000 0.000 0.230 575 D C 0.575 176.869 176.300 -0.011 0.000 1.154 575 D CA -0.248 53.710 54.000 -0.069 0.000 0.859 575 D CB 0.981 41.820 40.800 0.065 0.000 1.045 575 D HN 0.573 nan 8.370 nan 0.000 0.495 576 I N 0.764 121.317 120.570 -0.028 0.000 3.889 576 I HA 0.354 4.524 4.170 -0.000 0.000 0.332 576 I C 1.571 177.667 176.117 -0.034 0.000 1.493 576 I CA -0.592 60.645 61.300 -0.105 0.000 1.158 576 I CB 0.616 38.551 38.000 -0.108 0.000 1.117 576 I HN 0.174 nan 8.210 nan 0.000 0.411 577 A N 1.905 124.753 122.820 0.046 0.000 1.948 577 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 577 A C 2.280 180.037 177.584 0.288 0.000 1.177 577 A CA 2.111 54.250 52.037 0.170 0.000 0.636 577 A CB -1.205 17.901 19.000 0.178 0.000 0.815 577 A HN 0.578 nan 8.150 nan 0.000 0.449 578 G N -1.108 107.794 108.800 0.171 0.000 2.494 578 G HA2 0.115 4.074 3.960 -0.000 0.000 0.216 578 G HA3 0.115 4.074 3.960 -0.000 0.000 0.216 578 G C 1.353 176.366 174.900 0.190 0.000 1.140 578 G CA 1.314 46.524 45.100 0.183 0.000 0.801 578 G HN 1.036 nan 8.290 nan 0.000 0.536 579 V N -2.540 117.388 119.914 0.024 0.000 3.565 579 V HA 0.235 4.355 4.120 -0.000 0.000 0.260 579 V C 2.338 178.410 176.094 -0.036 0.000 1.231 579 V CA 1.423 63.654 62.300 -0.115 0.000 1.100 579 V CB 0.349 31.813 31.823 -0.599 0.000 0.807 579 V HN 0.211 nan 8.190 nan 0.000 0.454 580 S N -0.397 115.361 115.700 0.098 0.000 2.383 580 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 580 S C 0.638 175.423 174.600 0.308 0.000 1.026 580 S CA 0.591 58.919 58.200 0.213 0.000 0.981 580 S CB -0.233 63.091 63.200 0.207 0.000 0.818 580 S HN 0.812 nan 8.310 nan 0.000 0.472 581 W N 3.017 124.365 121.300 0.080 0.000 2.349 581 W HA 0.408 5.068 4.660 -0.000 0.000 0.309 581 W C -0.592 175.717 176.519 -0.350 0.000 1.083 581 W CA -0.962 56.243 57.345 -0.233 0.000 1.224 581 W CB 0.609 29.648 29.460 -0.702 0.000 1.256 581 W HN 0.106 nan 8.180 nan 0.000 0.461 582 N N 5.676 123.974 118.700 -0.670 0.000 2.421 582 N HA -0.015 4.724 4.740 -0.000 0.000 0.260 582 N C 0.732 175.974 175.510 -0.448 0.000 1.173 582 N CA 0.185 53.003 53.050 -0.386 0.000 0.960 582 N CB -0.190 38.139 38.487 -0.264 0.000 1.273 582 N HN 0.298 nan 8.380 nan 0.000 0.497 583 F N 2.548 122.529 119.950 0.051 0.000 2.095 583 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 583 F C 2.273 178.129 175.800 0.094 0.000 1.104 583 F CA 1.174 59.290 58.000 0.194 0.000 1.232 583 F CB -0.187 38.921 39.000 0.179 0.000 0.987 583 F HN 0.394 nan 8.300 nan 0.000 0.475 584 K N 0.645 121.182 120.400 0.227 0.000 2.063 584 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 584 K C 1.934 178.576 176.600 0.069 0.000 1.048 584 K CA 1.500 57.866 56.287 0.131 0.000 0.928 584 K CB -0.419 32.142 32.500 0.102 0.000 0.713 584 K HN 0.169 nan 8.250 nan 0.000 0.442 585 A N -0.089 122.733 122.820 0.004 0.000 2.238 585 A HA 0.177 4.496 4.320 -0.000 0.000 0.210 585 A C 0.004 177.539 177.584 -0.082 0.000 1.179 585 A CA 0.464 52.480 52.037 -0.034 0.000 0.827 585 A CB -0.140 18.833 19.000 -0.046 0.000 0.856 585 A HN 0.429 nan 8.150 nan 0.000 0.488 586 R N -1.143 119.290 120.500 -0.112 0.000 3.407 586 R HA -0.153 4.187 4.340 -0.000 0.000 0.277 586 R C -0.639 175.508 176.300 -0.255 0.000 1.119 586 R CA 1.319 57.415 56.100 -0.007 0.000 0.750 586 R CB -2.323 28.040 30.300 0.104 0.000 1.258 586 R HN 0.855 nan 8.270 nan 0.000 0.432 587 K N -2.040 117.769 120.400 -0.985 0.000 2.607 587 K HA 0.557 4.877 4.320 -0.000 0.000 0.287 587 K C -3.309 172.379 176.600 -1.520 0.000 0.996 587 K CA -1.997 53.624 56.287 -1.110 0.000 0.876 587 K CB 2.398 34.656 32.500 -0.405 0.000 1.496 587 K HN -0.288 nan 8.250 nan 0.000 0.415 588 P HA 0.191 nan 4.420 nan 0.000 0.274 588 P C -0.543 176.697 177.300 -0.101 0.000 1.237 588 P CA -0.506 62.371 63.100 -0.372 0.000 0.793 588 P CB 0.699 32.398 31.700 -0.002 0.000 0.977 589 K N 0.373 120.763 120.400 -0.016 0.000 2.356 589 K HA 0.170 4.490 4.320 -0.000 0.000 0.195 589 K C 1.021 177.536 176.600 -0.142 0.000 1.037 589 K CA 0.578 56.860 56.287 -0.009 0.000 1.014 589 K CB -0.323 32.233 32.500 0.092 0.000 0.815 589 K HN 0.812 nan 8.250 nan 0.000 0.507 590 G N 2.421 111.212 108.800 -0.015 0.000 2.246 590 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.273 590 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.273 590 G C -0.217 174.657 174.900 -0.043 0.000 1.055 590 G CA -0.263 44.803 45.100 -0.056 0.000 0.851 590 G HN 0.340 nan 8.290 nan 0.000 0.500 591 F N 0.707 120.610 119.950 -0.078 0.000 2.571 591 F HA 0.417 4.944 4.527 -0.000 0.000 0.384 591 F C 1.491 177.261 175.800 -0.050 0.000 1.058 591 F CA 1.808 59.775 58.000 -0.054 0.000 1.200 591 F CB 0.622 39.618 39.000 -0.006 0.000 1.077 591 F HN 0.847 nan 8.300 nan 0.000 0.558 592 G N 3.243 111.802 108.800 -0.400 0.000 2.428 592 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.199 592 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.199 592 G C 0.767 175.559 174.900 -0.180 0.000 1.005 592 G CA -0.063 44.914 45.100 -0.206 0.000 0.671 592 G HN 0.609 nan 8.290 nan 0.000 0.485 593 V N 1.606 121.415 119.914 -0.175 0.000 2.233 593 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 593 V C 2.891 178.827 176.094 -0.263 0.000 1.050 593 V CA 2.944 65.152 62.300 -0.153 0.000 1.010 593 V CB -0.609 31.133 31.823 -0.135 0.000 0.637 593 V HN 0.488 nan 8.190 nan 0.000 0.444 594 R N -0.618 119.667 120.500 -0.358 0.000 2.075 594 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 594 R C 2.225 178.343 176.300 -0.302 0.000 1.126 594 R CA 1.390 57.192 56.100 -0.496 0.000 0.963 594 R CB -0.617 29.500 30.300 -0.305 0.000 0.858 594 R HN 0.381 nan 8.270 nan 0.000 0.435 595 L N 1.182 122.254 121.223 -0.252 0.000 2.012 595 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 595 L C 1.912 178.744 176.870 -0.062 0.000 1.073 595 L CA 1.777 56.518 54.840 -0.166 0.000 0.748 595 L CB -0.365 41.563 42.059 -0.218 0.000 0.891 595 L HN 0.155 nan 8.230 nan 0.000 0.431 596 L N -1.593 119.594 121.223 -0.059 0.000 2.156 596 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 596 L C 2.258 179.197 176.870 0.115 0.000 1.095 596 L CA 1.367 56.241 54.840 0.056 0.000 0.770 596 L CB -0.800 41.292 42.059 0.054 0.000 0.914 596 L HN 0.287 nan 8.230 nan 0.000 0.439 597 T N -1.166 113.373 114.554 -0.025 0.000 2.812 597 T HA -0.120 4.229 4.350 -0.000 0.000 0.264 597 T C 1.776 176.502 174.700 0.043 0.000 1.042 597 T CA 0.874 62.955 62.100 -0.031 0.000 1.140 597 T CB -0.046 68.662 68.868 -0.268 0.000 0.870 597 T HN 0.227 nan 8.240 nan 0.000 0.445 598 E N 0.695 120.916 120.200 0.036 0.000 2.106 598 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 598 E C 1.855 178.508 176.600 0.090 0.000 0.984 598 E CA 0.658 57.120 56.400 0.102 0.000 0.806 598 E CB -0.399 29.357 29.700 0.093 0.000 0.750 598 E HN 0.512 nan 8.360 nan 0.000 0.458 599 F N 1.616 121.541 119.950 -0.043 0.000 2.095 599 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 599 F C 2.303 178.089 175.800 -0.024 0.000 1.104 599 F CA 1.796 59.761 58.000 -0.058 0.000 1.232 599 F CB -0.366 38.584 39.000 -0.083 0.000 0.987 599 F HN -0.065 nan 8.300 nan 0.000 0.475 600 V N -1.315 118.522 119.914 -0.129 0.000 2.591 600 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 600 V C 2.058 178.069 176.094 -0.139 0.000 1.053 600 V CA 1.408 63.578 62.300 -0.218 0.000 1.068 600 V CB -0.778 31.027 31.823 -0.031 0.000 0.689 600 V HN 0.315 nan 8.190 nan 0.000 0.462 601 L N 2.049 123.240 121.223 -0.053 0.000 2.072 601 L HA 0.166 4.505 4.340 -0.000 0.000 0.205 601 L C 2.704 179.551 176.870 -0.038 0.000 1.079 601 L CA 2.307 57.137 54.840 -0.016 0.000 0.752 601 L CB -1.371 40.718 42.059 0.050 0.000 0.906 601 L HN 0.668 nan 8.230 nan 0.000 0.436 602 N N -1.006 117.662 118.700 -0.052 0.000 2.268 602 N HA 0.282 5.022 4.740 -0.000 0.000 0.204 602 N C 0.507 175.960 175.510 -0.095 0.000 1.124 602 N CA 0.679 53.698 53.050 -0.052 0.000 0.838 602 N CB -1.082 37.393 38.487 -0.020 0.000 0.994 602 N HN 0.514 nan 8.380 nan 0.000 0.489 603 D N 0.000 120.296 120.400 -0.173 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.884 54.000 -0.193 0.000 0.868 603 D CB 0.000 40.545 40.800 -0.426 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683