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 3kqx_1_G 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 TDXXXXXEYI 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 0.000 177.626 177.584 0.070 0.000 1.274 85 A CA 0.000 52.076 52.037 0.065 0.000 0.836 85 A CB 0.000 19.025 19.000 0.042 0.000 0.831 86 S N 1.223 116.964 115.700 0.069 0.000 2.690 86 S HA 0.648 5.118 4.470 -0.000 0.000 0.291 86 S C -0.280 174.357 174.600 0.061 0.000 1.138 86 S CA -0.766 57.474 58.200 0.068 0.000 1.013 86 S CB 0.992 64.237 63.200 0.076 0.000 1.053 86 S HN 0.693 nan 8.310 nan 0.000 0.539 87 E N 1.531 121.766 120.200 0.058 0.000 2.316 87 E HA 0.200 4.550 4.350 -0.000 0.000 0.275 87 E C -0.632 176.010 176.600 0.070 0.000 1.029 87 E CA -0.205 56.228 56.400 0.055 0.000 0.871 87 E CB 0.822 30.549 29.700 0.044 0.000 1.022 87 E HN 0.281 nan 8.360 nan 0.000 0.418 88 V N 6.524 126.482 119.914 0.073 0.000 2.455 88 V HA 0.115 4.235 4.120 -0.000 0.000 0.273 88 V C -1.701 174.459 176.094 0.111 0.000 1.045 88 V CA -1.255 61.111 62.300 0.110 0.000 0.976 88 V CB 0.516 32.390 31.823 0.085 0.000 0.993 88 V HN 0.529 nan 8.190 nan 0.000 0.475 89 P HA 0.316 nan 4.420 nan 0.000 0.274 89 P C -0.933 176.395 177.300 0.046 0.000 1.231 89 P CA -0.446 62.682 63.100 0.046 0.000 0.790 89 P CB 0.862 32.544 31.700 -0.030 0.000 0.951 90 Q N 0.102 119.899 119.800 -0.004 0.000 2.397 90 Q HA 0.311 4.651 4.340 -0.000 0.000 0.275 90 Q C 0.644 176.620 176.000 -0.041 0.000 1.090 90 Q CA -0.935 54.862 55.803 -0.009 0.000 0.809 90 Q CB 2.398 31.133 28.738 -0.005 0.000 1.362 90 Q HN 0.040 nan 8.270 nan 0.000 0.431 91 V N 0.514 120.399 119.914 -0.048 0.000 2.446 91 V HA -0.002 4.118 4.120 -0.000 0.000 0.244 91 V C 0.688 176.760 176.094 -0.037 0.000 1.039 91 V CA 0.812 63.081 62.300 -0.052 0.000 1.045 91 V CB 0.308 32.096 31.823 -0.059 0.000 0.681 91 V HN 0.637 nan 8.190 nan 0.000 0.459 92 V N -2.514 117.381 119.914 -0.032 0.000 3.102 92 V HA 0.580 4.700 4.120 -0.000 0.000 0.312 92 V C 1.074 177.154 176.094 -0.023 0.000 1.135 92 V CA 0.078 62.363 62.300 -0.026 0.000 1.022 92 V CB 1.462 33.270 31.823 -0.026 0.000 1.056 92 V HN 0.217 nan 8.190 nan 0.000 0.436 93 S N 1.195 116.885 115.700 -0.017 0.000 2.507 93 S HA 0.018 4.489 4.470 -0.000 0.000 0.235 93 S C 1.257 175.847 174.600 -0.017 0.000 0.988 93 S CA 1.202 59.394 58.200 -0.013 0.000 0.944 93 S CB -0.702 62.493 63.200 -0.008 0.000 0.762 93 S HN 0.734 nan 8.310 nan 0.000 0.526 94 L N 0.774 121.984 121.223 -0.022 0.000 2.567 94 L HA 0.232 4.572 4.340 -0.000 0.000 0.225 94 L C 0.036 176.872 176.870 -0.056 0.000 1.119 94 L CA -0.071 54.753 54.840 -0.026 0.000 0.871 94 L CB -0.383 41.665 42.059 -0.019 0.000 1.036 94 L HN 0.185 nan 8.230 nan 0.000 0.459 95 D N 2.415 122.778 120.400 -0.062 0.000 2.425 95 D HA 0.132 4.772 4.640 -0.000 0.000 0.247 95 D C -1.980 174.244 176.300 -0.127 0.000 1.147 95 D CA -1.025 52.916 54.000 -0.099 0.000 0.879 95 D CB 0.998 41.766 40.800 -0.053 0.000 1.179 95 D HN 0.005 nan 8.370 nan 0.000 0.456 96 P HA 0.081 nan 4.420 nan 0.000 0.274 96 P C 0.315 177.540 177.300 -0.124 0.000 1.231 96 P CA -0.199 62.749 63.100 -0.254 0.000 0.790 96 P CB 0.702 31.981 31.700 -0.702 0.000 0.951 97 T N -3.372 111.161 114.554 -0.035 0.000 3.145 97 T HA 0.321 4.671 4.350 -0.000 0.000 0.281 97 T C 0.304 175.026 174.700 0.037 0.000 1.003 97 T CA -0.237 61.869 62.100 0.009 0.000 0.901 97 T CB -0.517 68.363 68.868 0.020 0.000 1.112 97 T HN 0.586 nan 8.240 nan 0.000 0.535 98 S N 0.450 116.191 115.700 0.068 0.000 2.588 98 S HA 0.652 5.122 4.470 -0.000 0.000 0.269 98 S C -1.093 173.615 174.600 0.179 0.000 1.157 98 S CA -1.220 57.036 58.200 0.094 0.000 0.824 98 S CB 0.668 63.916 63.200 0.081 0.000 1.126 98 S HN 0.300 nan 8.310 nan 0.000 0.464 99 I N 2.774 123.428 120.570 0.140 0.000 2.396 99 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 99 I C -1.944 174.208 176.117 0.058 0.000 1.056 99 I CA -1.836 59.553 61.300 0.148 0.000 1.365 99 I CB 0.625 38.660 38.000 0.059 0.000 1.407 99 I HN 0.494 nan 8.210 nan 0.000 0.509 100 P HA 0.256 nan 4.420 nan 0.000 0.271 100 P C -0.889 176.304 177.300 -0.180 0.000 1.220 100 P CA 0.044 63.069 63.100 -0.126 0.000 0.768 100 P CB 1.167 32.690 31.700 -0.294 0.000 0.848 101 I N 1.906 122.380 120.570 -0.159 0.000 2.499 101 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 101 I C 0.361 176.318 176.117 -0.266 0.000 1.048 101 I CA -0.796 60.340 61.300 -0.274 0.000 1.062 101 I CB 1.932 39.690 38.000 -0.404 0.000 1.238 101 I HN 0.440 nan 8.210 nan 0.000 0.426 102 E N 4.878 124.962 120.200 -0.194 0.000 2.115 102 E HA 0.282 4.632 4.350 -0.000 0.000 0.282 102 E C -0.617 175.972 176.600 -0.019 0.000 0.987 102 E CA -0.147 56.224 56.400 -0.048 0.000 0.797 102 E CB 0.883 30.617 29.700 0.056 0.000 1.086 102 E HN 0.474 nan 8.360 nan 0.000 0.397 103 Y N 2.246 122.588 120.300 0.070 0.000 2.396 103 Y HA 0.118 4.668 4.550 0.000 0.000 0.292 103 Y C 0.758 176.403 175.900 -0.425 0.000 1.128 103 Y CA -0.195 57.807 58.100 -0.162 0.000 1.194 103 Y CB 0.447 38.776 38.460 -0.218 0.000 1.124 103 Y HN 0.408 nan 8.280 nan 0.000 0.543 104 N N 1.889 120.538 118.700 -0.085 0.000 2.482 104 N HA 0.078 4.818 4.740 -0.000 0.000 0.242 104 N C -0.210 175.278 175.510 -0.036 0.000 1.100 104 N CA 0.201 53.151 53.050 -0.167 0.000 0.946 104 N CB 0.640 39.059 38.487 -0.114 0.000 1.227 104 N HN 0.240 nan 8.380 nan 0.000 0.508 105 T N -1.111 113.522 114.554 0.131 0.000 2.927 105 T HA 0.395 4.745 4.350 -0.000 0.000 0.281 105 T C -1.771 172.842 174.700 -0.145 0.000 0.998 105 T CA -1.820 60.304 62.100 0.041 0.000 1.019 105 T CB 2.033 70.966 68.868 0.108 0.000 1.061 105 T HN 0.001 nan 8.240 nan 0.000 0.518 106 P HA 0.018 nan 4.420 nan 0.000 0.222 106 P C 1.491 178.475 177.300 -0.528 0.000 1.147 106 P CA 0.413 63.175 63.100 -0.563 0.000 0.790 106 P CB -0.076 30.893 31.700 -1.217 0.000 0.780 107 I N -1.177 119.033 120.570 -0.601 0.000 2.394 107 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 107 I C 1.850 177.578 176.117 -0.648 0.000 1.136 107 I CA 1.669 62.527 61.300 -0.736 0.000 1.425 107 I CB -1.762 35.525 38.000 -1.190 0.000 1.079 107 I HN 0.155 nan 8.210 nan 0.000 0.425 108 H N 0.702 119.581 119.070 -0.319 0.000 2.521 108 H HA -0.077 4.479 4.556 -0.000 0.000 0.286 108 H C 1.259 176.465 175.328 -0.204 0.000 1.034 108 H CA 1.015 56.928 56.048 -0.225 0.000 1.278 108 H CB -0.005 29.662 29.762 -0.158 0.000 1.386 108 H HN 0.307 nan 8.280 nan 0.000 0.567 109 D N 0.258 120.582 120.400 -0.127 0.000 2.349 109 D HA 0.024 4.664 4.640 -0.000 0.000 0.215 109 D C 0.292 176.496 176.300 -0.159 0.000 1.016 109 D CA 0.260 54.185 54.000 -0.124 0.000 0.870 109 D CB 0.257 40.982 40.800 -0.126 0.000 0.917 109 D HN 0.381 nan 8.370 nan 0.000 0.524 110 I N 1.752 122.200 120.570 -0.203 0.000 2.517 110 I HA -0.017 4.153 4.170 -0.000 0.000 0.285 110 I C 0.683 176.729 176.117 -0.118 0.000 1.106 110 I CA 0.002 61.198 61.300 -0.174 0.000 1.402 110 I CB 0.478 38.374 38.000 -0.174 0.000 1.399 110 I HN -0.446 nan 8.210 nan 0.000 0.535 111 K N 5.791 126.133 120.400 -0.096 0.000 2.349 111 K HA 0.362 4.682 4.320 -0.000 0.000 0.288 111 K C -0.803 175.841 176.600 0.073 0.000 1.058 111 K CA -0.378 55.916 56.287 0.013 0.000 0.953 111 K CB 1.198 33.755 32.500 0.096 0.000 0.997 111 K HN 0.339 nan 8.250 nan 0.000 0.477 112 V N 4.407 124.356 119.914 0.059 0.000 2.398 112 V HA 0.170 4.290 4.120 -0.000 0.000 0.286 112 V C -0.183 175.911 176.094 -0.001 0.000 1.026 112 V CA -0.776 61.567 62.300 0.071 0.000 0.868 112 V CB 1.397 33.293 31.823 0.120 0.000 0.982 112 V HN 0.662 nan 8.190 nan 0.000 0.443 113 Q N 3.438 123.193 119.800 -0.076 0.000 2.340 113 Q HA 0.583 4.923 4.340 -0.000 0.000 0.268 113 Q C -1.180 174.487 176.000 -0.555 0.000 1.031 113 Q CA -0.577 55.030 55.803 -0.326 0.000 0.804 113 Q CB 2.849 31.361 28.738 -0.377 0.000 1.286 113 Q HN 0.530 nan 8.270 nan 0.000 0.448 114 V N 3.739 123.315 119.914 -0.563 0.000 2.417 114 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 114 V C -0.980 174.713 176.094 -0.669 0.000 1.024 114 V CA -0.586 61.426 62.300 -0.481 0.000 0.861 114 V CB 0.586 32.284 31.823 -0.208 0.000 0.985 114 V HN 0.605 nan 8.190 nan 0.000 0.436 115 Y N 1.346 121.456 120.300 -0.315 0.000 2.524 115 Y HA 0.468 5.018 4.550 -0.000 0.000 0.344 115 Y C 0.200 175.971 175.900 -0.216 0.000 1.012 115 Y CA -1.046 56.845 58.100 -0.349 0.000 1.068 115 Y CB 1.445 39.479 38.460 -0.710 0.000 1.249 115 Y HN 0.487 nan 8.280 nan 0.000 0.468 116 D N 1.950 122.397 120.400 0.079 0.000 2.312 116 D HA 0.142 4.782 4.640 -0.000 0.000 0.252 116 D C 0.942 177.347 176.300 0.175 0.000 1.150 116 D CA 0.347 54.397 54.000 0.083 0.000 0.870 116 D CB 1.141 41.979 40.800 0.062 0.000 1.153 116 D HN 0.670 nan 8.370 nan 0.000 0.457 117 I N 2.933 123.616 120.570 0.188 0.000 2.530 117 I HA -0.302 3.868 4.170 -0.000 0.000 0.257 117 I C 2.256 178.467 176.117 0.157 0.000 1.179 117 I CA 0.708 62.149 61.300 0.235 0.000 1.440 117 I CB 0.140 38.243 38.000 0.172 0.000 1.087 117 I HN 0.232 nan 8.210 nan 0.000 0.440 118 K N 0.172 120.638 120.400 0.111 0.000 2.147 118 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 118 K C 1.946 178.593 176.600 0.078 0.000 1.049 118 K CA 1.042 57.376 56.287 0.078 0.000 0.936 118 K CB -1.271 31.264 32.500 0.057 0.000 0.722 118 K HN 0.684 nan 8.250 nan 0.000 0.446 119 G N -0.200 108.659 108.800 0.098 0.000 2.679 119 G HA2 0.325 4.285 3.960 -0.000 0.000 0.212 119 G HA3 0.325 4.285 3.960 -0.000 0.000 0.212 119 G C 0.709 175.661 174.900 0.086 0.000 1.137 119 G CA 0.440 45.591 45.100 0.085 0.000 0.787 119 G HN 0.820 nan 8.290 nan 0.000 0.534 120 G N -1.885 106.976 108.800 0.102 0.000 2.758 120 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 120 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 120 G C -0.320 174.602 174.900 0.036 0.000 1.389 120 G CA -0.494 44.639 45.100 0.056 0.000 0.845 120 G HN 0.669 nan 8.290 nan 0.000 0.572 121 C N 1.294 120.515 119.300 -0.132 0.000 2.295 121 C HA 0.557 5.017 4.460 -0.000 0.000 0.331 121 C C 0.839 175.693 174.990 -0.227 0.000 1.280 121 C CA -0.667 58.069 59.018 -0.471 0.000 1.746 121 C CB -0.077 27.268 27.740 -0.658 0.000 2.328 121 C HN 0.707 nan 8.230 nan 0.000 0.521 122 N N 0.821 119.437 118.700 -0.140 0.000 2.518 122 N HA 0.543 5.283 4.740 -0.000 0.000 0.283 122 N C -1.083 174.380 175.510 -0.078 0.000 1.119 122 N CA -0.369 52.641 53.050 -0.068 0.000 0.983 122 N CB 1.124 39.589 38.487 -0.037 0.000 1.139 122 N HN 0.428 nan 8.380 nan 0.000 0.465 123 V N 2.055 121.938 119.914 -0.053 0.000 2.385 123 V HA 0.250 4.370 4.120 -0.000 0.000 0.277 123 V C -0.272 175.800 176.094 -0.035 0.000 1.012 123 V CA -0.293 61.980 62.300 -0.046 0.000 0.832 123 V CB 0.715 32.520 31.823 -0.029 0.000 1.028 123 V HN 0.807 nan 8.190 nan 0.000 0.436 124 E N 2.521 122.705 120.200 -0.027 0.000 4.498 124 E HA 0.353 4.703 4.350 -0.000 0.000 0.200 124 E C -0.399 176.189 176.600 -0.020 0.000 1.108 124 E CA -0.849 55.536 56.400 -0.025 0.000 0.970 124 E CB 0.501 30.191 29.700 -0.018 0.000 2.109 124 E HN 0.609 nan 8.360 nan 0.000 0.453 125 E N 1.591 121.787 120.200 -0.007 0.000 2.392 125 E HA 0.322 4.672 4.350 -0.000 0.000 0.256 125 E C 0.714 177.322 176.600 0.015 0.000 1.145 125 E CA 0.457 56.858 56.400 0.003 0.000 0.929 125 E CB 0.838 30.546 29.700 0.013 0.000 0.998 125 E HN 0.656 nan 8.360 nan 0.000 0.442 126 G N 0.354 109.167 108.800 0.023 0.000 2.498 126 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.245 126 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.245 126 G C -1.098 173.810 174.900 0.013 0.000 1.204 126 G CA 0.058 45.175 45.100 0.030 0.000 0.933 126 G HN 0.817 nan 8.290 nan 0.000 0.574 127 L N 0.270 121.495 121.223 0.003 0.000 2.410 127 L HA 0.789 5.129 4.340 -0.000 0.000 0.270 127 L C -0.017 176.827 176.870 -0.044 0.000 0.983 127 L CA -0.102 54.727 54.840 -0.020 0.000 0.822 127 L CB 2.225 44.270 42.059 -0.024 0.000 1.285 127 L HN 0.817 nan 8.230 nan 0.000 0.409 128 T N 6.343 120.860 114.554 -0.062 0.000 2.772 128 T HA 0.604 4.954 4.350 -0.000 0.000 0.288 128 T C -0.414 174.200 174.700 -0.143 0.000 0.994 128 T CA -0.244 61.791 62.100 -0.109 0.000 0.951 128 T CB 0.584 69.382 68.868 -0.116 0.000 0.933 128 T HN 0.297 nan 8.240 nan 0.000 0.447 129 I N 3.803 124.255 120.570 -0.196 0.000 2.404 129 I HA 0.429 4.599 4.170 -0.000 0.000 0.293 129 I C -0.418 175.557 176.117 -0.236 0.000 0.992 129 I CA -1.008 60.194 61.300 -0.163 0.000 1.149 129 I CB 1.175 39.074 38.000 -0.168 0.000 1.315 129 I HN 0.531 nan 8.210 nan 0.000 0.446 130 F N 5.676 125.597 119.950 -0.049 0.000 2.404 130 F HA 0.384 4.911 4.527 -0.000 0.000 0.345 130 F C 0.424 176.194 175.800 -0.051 0.000 1.110 130 F CA -0.473 57.507 58.000 -0.033 0.000 1.130 130 F CB 0.891 39.903 39.000 0.020 0.000 1.129 130 F HN 0.135 nan 8.300 nan 0.000 0.500 131 L N 5.382 126.595 121.223 -0.017 0.000 2.255 131 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 131 L C -0.570 176.311 176.870 0.018 0.000 1.046 131 L CA -0.864 53.923 54.840 -0.088 0.000 0.816 131 L CB 0.525 42.346 42.059 -0.396 0.000 1.197 131 L HN 0.403 nan 8.230 nan 0.000 0.427 132 V N 0.551 120.512 119.914 0.078 0.000 2.656 132 V HA 0.730 4.850 4.120 -0.000 0.000 0.307 132 V C -0.690 175.435 176.094 0.051 0.000 1.051 132 V CA -0.620 61.715 62.300 0.059 0.000 0.893 132 V CB 1.827 33.654 31.823 0.008 0.000 0.999 132 V HN 0.825 nan 8.190 nan 0.000 0.426 133 N N 1.909 120.630 118.700 0.035 0.000 2.761 133 N HA 0.562 5.302 4.740 -0.000 0.000 0.283 133 N C -1.218 174.306 175.510 0.023 0.000 1.377 133 N CA -0.806 52.267 53.050 0.038 0.000 0.791 133 N CB 1.806 40.321 38.487 0.046 0.000 1.540 133 N HN 0.689 nan 8.380 nan 0.000 0.539 134 N N -0.553 118.163 118.700 0.027 0.000 2.732 134 N HA 0.372 5.112 4.740 -0.000 0.000 0.247 134 N C -3.100 172.424 175.510 0.023 0.000 1.305 134 N CA -0.926 52.135 53.050 0.018 0.000 0.762 134 N CB 1.219 39.712 38.487 0.011 0.000 1.361 134 N HN 0.391 nan 8.380 nan 0.000 0.545 135 P HA 0.242 nan 4.420 nan 0.000 0.267 135 P C 0.936 178.250 177.300 0.023 0.000 1.205 135 P CA 0.674 63.791 63.100 0.028 0.000 0.765 135 P CB 0.728 32.446 31.700 0.030 0.000 0.828 136 G N 1.102 109.917 108.800 0.025 0.000 2.347 136 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.247 136 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.247 136 G C 0.510 175.421 174.900 0.020 0.000 1.037 136 G CA 0.420 45.533 45.100 0.021 0.000 0.622 136 G HN 0.871 nan 8.290 nan 0.000 0.521 137 K N 1.351 121.762 120.400 0.019 0.000 2.184 137 K HA 0.668 4.988 4.320 -0.000 0.000 0.259 137 K C 0.138 176.751 176.600 0.023 0.000 1.119 137 K CA 0.508 56.806 56.287 0.017 0.000 0.991 137 K CB 0.129 32.636 32.500 0.012 0.000 1.522 137 K HN 0.702 nan 8.250 nan 0.000 0.405 138 E N 2.567 122.781 120.200 0.024 0.000 2.558 138 E HA -0.001 4.349 4.350 -0.000 0.000 0.255 138 E C 0.039 176.658 176.600 0.032 0.000 0.968 138 E CA 0.169 56.587 56.400 0.029 0.000 0.939 138 E CB -0.103 29.613 29.700 0.026 0.000 0.921 138 E HN 0.821 nan 8.360 nan 0.000 0.477 139 N N 0.493 119.218 118.700 0.041 0.000 2.710 139 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 139 N C 0.202 175.738 175.510 0.042 0.000 1.059 139 N CA 1.109 54.189 53.050 0.049 0.000 0.720 139 N CB -1.385 37.133 38.487 0.050 0.000 0.983 139 N HN 0.685 nan 8.380 nan 0.000 0.544 140 G N 0.004 108.824 108.800 0.033 0.000 2.634 140 G HA2 0.391 4.351 3.960 -0.000 0.000 0.255 140 G HA3 0.391 4.351 3.960 -0.000 0.000 0.255 140 G C -2.161 172.750 174.900 0.017 0.000 1.205 140 G CA -0.765 44.347 45.100 0.020 0.000 0.884 140 G HN 0.085 nan 8.290 nan 0.000 0.549 141 P HA 0.093 nan 4.420 nan 0.000 0.269 141 P C 0.020 177.297 177.300 -0.039 0.000 1.209 141 P CA -0.247 62.845 63.100 -0.014 0.000 0.776 141 P CB 0.918 32.599 31.700 -0.031 0.000 0.876 142 V N 3.988 123.860 119.914 -0.070 0.000 2.521 142 V HA 0.077 4.197 4.120 -0.000 0.000 0.286 142 V C 0.889 176.913 176.094 -0.118 0.000 1.034 142 V CA 0.550 62.753 62.300 -0.162 0.000 1.045 142 V CB -0.387 31.217 31.823 -0.366 0.000 0.974 142 V HN 0.477 nan 8.190 nan 0.000 0.480 143 K N 5.219 125.551 120.400 -0.113 0.000 2.463 143 K HA 0.535 4.855 4.320 -0.000 0.000 0.255 143 K C -1.204 175.324 176.600 -0.120 0.000 0.942 143 K CA -0.743 55.484 56.287 -0.100 0.000 0.814 143 K CB 1.999 34.461 32.500 -0.065 0.000 1.122 143 K HN 0.409 nan 8.250 nan 0.000 0.425 144 I N 3.351 123.821 120.570 -0.165 0.000 2.337 144 I HA 0.003 4.173 4.170 -0.000 0.000 0.291 144 I C 1.511 177.557 176.117 -0.119 0.000 1.046 144 I CA 0.321 61.486 61.300 -0.224 0.000 1.324 144 I CB 0.756 38.471 38.000 -0.474 0.000 1.409 144 I HN 0.736 nan 8.210 nan 0.000 0.494 145 S N 3.432 119.106 115.700 -0.043 0.000 2.475 145 S HA 0.089 4.559 4.470 -0.000 0.000 0.224 145 S C 0.929 175.544 174.600 0.025 0.000 1.042 145 S CA -0.285 57.912 58.200 -0.005 0.000 0.935 145 S CB 0.022 63.231 63.200 0.015 0.000 0.801 145 S HN 0.550 nan 8.310 nan 0.000 0.509 146 S N 2.288 118.033 115.700 0.074 0.000 2.566 146 S HA 0.181 4.651 4.470 -0.000 0.000 0.280 146 S C -0.043 174.595 174.600 0.063 0.000 1.343 146 S CA -0.389 57.869 58.200 0.098 0.000 1.036 146 S CB 0.420 63.725 63.200 0.175 0.000 0.866 146 S HN 0.566 nan 8.310 nan 0.000 0.526 147 K N 1.623 122.052 120.400 0.048 0.000 2.368 147 K HA 0.283 4.603 4.320 -0.000 0.000 0.282 147 K C -1.241 175.374 176.600 0.025 0.000 1.035 147 K CA -0.272 56.033 56.287 0.030 0.000 0.973 147 K CB 0.320 32.836 32.500 0.027 0.000 0.957 147 K HN 0.347 nan 8.250 nan 0.000 0.474 148 V N 4.631 124.558 119.914 0.021 0.000 2.448 148 V HA 0.127 4.247 4.120 -0.000 0.000 0.295 148 V C -0.275 175.821 176.094 0.004 0.000 1.025 148 V CA -0.869 61.442 62.300 0.017 0.000 0.859 148 V CB 1.470 33.324 31.823 0.052 0.000 0.988 148 V HN 0.864 nan 8.190 nan 0.000 0.431 149 N N 3.646 122.340 118.700 -0.011 0.000 2.843 149 N HA 0.166 4.906 4.740 -0.000 0.000 0.284 149 N C -0.579 174.929 175.510 -0.003 0.000 1.274 149 N CA -0.069 52.978 53.050 -0.006 0.000 1.045 149 N CB 0.129 38.610 38.487 -0.009 0.000 1.370 149 N HN 0.670 nan 8.380 nan 0.000 0.525 150 D N -0.411 119.991 120.400 0.004 0.000 2.931 150 D HA 0.119 4.759 4.640 -0.000 0.000 0.215 150 D C 0.508 176.817 176.300 0.015 0.000 1.297 150 D CA -0.229 53.776 54.000 0.007 0.000 0.892 150 D CB 1.076 41.878 40.800 0.004 0.000 1.642 150 D HN 0.130 nan 8.370 nan 0.000 0.560 151 K N 2.546 122.956 120.400 0.017 0.000 2.057 151 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 151 K C 1.754 178.373 176.600 0.032 0.000 1.050 151 K CA 1.338 57.637 56.287 0.020 0.000 0.935 151 K CB -0.549 31.960 32.500 0.016 0.000 0.715 151 K HN 0.471 nan 8.250 nan 0.000 0.439 152 Q N 0.299 120.123 119.800 0.040 0.000 2.050 152 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 152 Q C 2.327 178.375 176.000 0.080 0.000 0.980 152 Q CA 1.678 57.519 55.803 0.063 0.000 0.840 152 Q CB -0.695 28.085 28.738 0.069 0.000 0.898 152 Q HN 0.416 nan 8.270 nan 0.000 0.424 153 V N 0.950 120.894 119.914 0.050 0.000 2.427 153 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 153 V C 2.352 178.491 176.094 0.076 0.000 1.051 153 V CA 1.730 64.061 62.300 0.051 0.000 1.048 153 V CB -0.673 31.159 31.823 0.015 0.000 0.666 153 V HN 0.256 nan 8.190 nan 0.000 0.456 154 S N -0.108 115.620 115.700 0.047 0.000 2.370 154 S HA -0.256 4.214 4.470 -0.000 0.000 0.226 154 S C 2.021 176.638 174.600 0.029 0.000 1.033 154 S CA 1.847 60.062 58.200 0.026 0.000 1.011 154 S CB -0.279 62.929 63.200 0.012 0.000 0.852 154 S HN 0.723 nan 8.310 nan 0.000 0.457 155 E N 1.344 121.570 120.200 0.043 0.000 2.031 155 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 155 E C 1.704 178.322 176.600 0.029 0.000 0.994 155 E CA 1.272 57.687 56.400 0.024 0.000 0.800 155 E CB -0.640 29.076 29.700 0.027 0.000 0.752 155 E HN 0.470 nan 8.360 nan 0.000 0.447 156 F N 0.506 120.418 119.950 -0.064 0.000 2.115 156 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 156 F C 1.533 177.242 175.800 -0.151 0.000 1.092 156 F CA 1.437 59.376 58.000 -0.102 0.000 1.245 156 F CB 0.081 39.026 39.000 -0.092 0.000 0.995 156 F HN 0.054 nan 8.300 nan 0.000 0.481 157 L N 0.916 122.230 121.223 0.151 0.000 2.629 157 L HA 0.051 4.391 4.340 -0.000 0.000 0.230 157 L C 0.803 177.633 176.870 -0.068 0.000 1.151 157 L CA -0.299 54.555 54.840 0.023 0.000 0.924 157 L CB -0.925 41.094 42.059 -0.066 0.000 1.137 157 L HN 0.046 nan 8.230 nan 0.000 0.457 158 K N -0.820 119.537 120.400 -0.072 0.000 2.336 158 K HA -0.006 4.314 4.320 -0.000 0.000 0.262 158 K C -0.019 176.523 176.600 -0.096 0.000 0.992 158 K CA -0.343 55.896 56.287 -0.081 0.000 0.927 158 K CB 0.908 33.363 32.500 -0.076 0.000 0.956 158 K HN -0.134 nan 8.250 nan 0.000 0.495 159 D N 1.322 121.672 120.400 -0.083 0.000 2.149 159 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 159 D C 1.615 177.858 176.300 -0.095 0.000 0.990 159 D CA 1.467 55.417 54.000 -0.083 0.000 0.839 159 D CB -0.117 40.642 40.800 -0.067 0.000 0.948 159 D HN 0.777 nan 8.370 nan 0.000 0.460 160 E N 0.216 120.357 120.200 -0.099 0.000 2.085 160 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 160 E C 1.545 178.053 176.600 -0.155 0.000 0.994 160 E CA 0.980 57.312 56.400 -0.114 0.000 0.801 160 E CB 0.183 29.821 29.700 -0.105 0.000 0.743 160 E HN 0.136 nan 8.360 nan 0.000 0.453 161 N N -0.388 118.205 118.700 -0.179 0.000 2.250 161 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 161 N C 1.566 176.953 175.510 -0.204 0.000 1.017 161 N CA 0.883 53.788 53.050 -0.242 0.000 0.866 161 N CB -0.048 38.235 38.487 -0.341 0.000 0.985 161 N HN 0.232 nan 8.380 nan 0.000 0.429 162 M N 1.124 120.655 119.600 -0.116 0.000 2.349 162 M HA -0.025 4.455 4.480 -0.000 0.000 0.266 162 M C 1.775 178.049 176.300 -0.042 0.000 1.076 162 M CA 0.772 56.074 55.300 0.004 0.000 1.126 162 M CB -0.761 31.825 32.600 -0.023 0.000 1.392 162 M HN 0.314 nan 8.290 nan 0.000 0.440 163 E N 0.935 121.066 120.200 -0.115 0.000 2.265 163 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 163 E C 1.605 178.112 176.600 -0.156 0.000 0.996 163 E CA 1.466 57.801 56.400 -0.109 0.000 0.832 163 E CB -0.572 29.070 29.700 -0.096 0.000 0.756 163 E HN 0.450 nan 8.360 nan 0.000 0.491 164 K N 0.214 120.429 120.400 -0.308 0.000 2.442 164 K HA 0.012 4.332 4.320 -0.000 0.000 0.198 164 K C 0.131 176.483 176.600 -0.414 0.000 1.042 164 K CA 0.506 56.544 56.287 -0.414 0.000 0.958 164 K CB -0.993 31.176 32.500 -0.552 0.000 0.766 164 K HN 0.181 nan 8.250 nan 0.000 0.474 165 F N 1.785 121.757 119.950 0.036 0.000 2.483 165 F HA 0.560 5.087 4.527 -0.000 0.000 0.329 165 F C 0.443 176.268 175.800 0.041 0.000 1.064 165 F CA -1.920 56.142 58.000 0.102 0.000 0.986 165 F CB 1.230 40.350 39.000 0.200 0.000 1.218 165 F HN 0.324 nan 8.300 nan 0.000 0.484 166 N N -1.341 117.553 118.700 0.323 0.000 2.577 166 N HA 0.505 5.245 4.740 -0.000 0.000 0.285 166 N C -0.501 175.138 175.510 0.215 0.000 1.309 166 N CA -0.786 52.372 53.050 0.180 0.000 0.798 166 N CB 1.476 40.042 38.487 0.131 0.000 1.463 166 N HN 0.388 nan 8.380 nan 0.000 0.518 167 V N -3.658 116.338 119.914 0.136 0.000 3.444 167 V HA 0.312 4.432 4.120 -0.000 0.000 0.308 167 V C 0.664 176.841 176.094 0.138 0.000 1.371 167 V CA -0.427 61.961 62.300 0.148 0.000 1.141 167 V CB -1.274 30.591 31.823 0.070 0.000 1.037 167 V HN 0.728 nan 8.190 nan 0.000 0.433 168 K N 1.464 121.940 120.400 0.127 0.000 2.530 168 K HA -0.013 4.307 4.320 -0.000 0.000 0.280 168 K C 0.008 176.658 176.600 0.083 0.000 1.004 168 K CA -0.238 56.104 56.287 0.092 0.000 1.071 168 K CB 0.360 32.909 32.500 0.082 0.000 0.876 168 K HN 0.507 nan 8.250 nan 0.000 0.487 169 L N 4.950 126.212 121.223 0.065 0.000 2.540 169 L HA 0.067 4.407 4.340 -0.000 0.000 0.276 169 L C 1.197 178.090 176.870 0.039 0.000 1.212 169 L CA 2.105 56.979 54.840 0.056 0.000 0.893 169 L CB 0.200 42.291 42.059 0.054 0.000 1.138 169 L HN 0.974 nan 8.230 nan 0.000 0.491 170 G N 2.117 110.931 108.800 0.024 0.000 2.245 170 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 170 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 170 G C 0.636 175.512 174.900 -0.040 0.000 0.985 170 G CA 0.470 45.565 45.100 -0.008 0.000 0.625 170 G HN 0.848 nan 8.290 nan 0.000 0.536 171 T N 1.311 115.853 114.554 -0.020 0.000 2.903 171 T HA 0.508 4.859 4.350 -0.000 0.000 0.314 171 T C 0.555 175.108 174.700 -0.244 0.000 1.078 171 T CA 1.030 63.092 62.100 -0.062 0.000 1.114 171 T CB 1.216 70.108 68.868 0.040 0.000 0.987 171 T HN 1.576 nan 8.240 nan 0.000 0.548 172 S N 1.481 116.963 115.700 -0.363 0.000 2.570 172 S HA 0.750 5.220 4.470 -0.000 0.000 0.270 172 S C -1.795 172.412 174.600 -0.654 0.000 1.149 172 S CA -1.184 56.608 58.200 -0.680 0.000 0.837 172 S CB 2.021 64.922 63.200 -0.499 0.000 1.124 172 S HN 0.440 nan 8.310 nan 0.000 0.465 173 K N 1.067 120.907 120.400 -0.935 0.000 2.502 173 K HA 0.469 4.789 4.320 -0.000 0.000 0.257 173 K C -1.709 174.372 176.600 -0.865 0.000 0.938 173 K CA -0.473 55.398 56.287 -0.693 0.000 0.819 173 K CB 1.679 33.766 32.500 -0.689 0.000 1.333 173 K HN 0.878 nan 8.250 nan 0.000 0.434 174 H N 0.637 119.402 119.070 -0.509 0.000 2.472 174 H HA 0.541 5.097 4.556 0.000 0.000 0.338 174 H C -0.741 174.455 175.328 -0.221 0.000 1.133 174 H CA -0.174 55.624 56.048 -0.415 0.000 1.216 174 H CB 0.734 30.386 29.762 -0.183 0.000 1.497 174 H HN 0.223 nan 8.280 nan 0.000 0.500 175 F N 1.527 121.508 119.950 0.053 0.000 2.546 175 F HA 0.340 4.867 4.527 -0.000 0.000 0.320 175 F C -0.703 175.064 175.800 -0.055 0.000 1.076 175 F CA -1.333 56.654 58.000 -0.021 0.000 0.928 175 F CB 0.997 39.830 39.000 -0.278 0.000 1.189 175 F HN 0.455 nan 8.300 nan 0.000 0.465 176 Y N 4.745 125.039 120.300 -0.011 0.000 2.406 176 Y HA 0.746 5.296 4.550 0.000 0.000 0.340 176 Y C -0.915 174.861 175.900 -0.206 0.000 0.975 176 Y CA -1.071 56.949 58.100 -0.134 0.000 1.056 176 Y CB 1.595 40.009 38.460 -0.078 0.000 1.210 176 Y HN 0.693 nan 8.280 nan 0.000 0.448 177 M N 3.548 122.682 119.600 -0.777 0.000 2.880 177 M HA 0.547 5.027 4.480 -0.000 0.000 0.269 177 M C -2.288 173.471 176.300 -0.903 0.000 1.248 177 M CA -0.773 54.164 55.300 -0.606 0.000 0.821 177 M CB 2.357 34.777 32.600 -0.300 0.000 1.650 177 M HN 0.489 nan 8.290 nan 0.000 0.479 178 F N 2.349 122.172 119.950 -0.212 0.000 2.436 178 F HA 0.459 4.986 4.527 -0.000 0.000 0.340 178 F C 0.562 176.308 175.800 -0.089 0.000 1.113 178 F CA -0.375 57.532 58.000 -0.156 0.000 1.022 178 F CB 1.126 40.072 39.000 -0.090 0.000 1.128 178 F HN 0.744 nan 8.300 nan 0.000 0.466 179 N N 0.621 119.350 118.700 0.048 0.000 2.381 179 N HA 0.069 4.809 4.740 -0.000 0.000 0.289 179 N C 0.448 175.990 175.510 0.054 0.000 1.288 179 N CA -0.341 52.725 53.050 0.026 0.000 0.960 179 N CB 0.157 38.638 38.487 -0.011 0.000 1.116 179 N HN 0.424 nan 8.380 nan 0.000 0.557 180 D N -1.194 119.226 120.400 0.032 0.000 2.263 180 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 180 D C 0.249 176.566 176.300 0.028 0.000 0.971 180 D CA 0.985 55.002 54.000 0.029 0.000 0.867 180 D CB -0.263 40.547 40.800 0.018 0.000 0.929 180 D HN 0.498 nan 8.370 nan 0.000 0.492 181 N N -0.029 118.689 118.700 0.030 0.000 2.276 181 N HA 0.001 4.741 4.740 -0.000 0.000 0.212 181 N C 0.702 176.239 175.510 0.045 0.000 1.127 181 N CA 0.607 53.675 53.050 0.029 0.000 0.834 181 N CB 0.777 39.276 38.487 0.021 0.000 1.014 181 N HN 0.152 nan 8.380 nan 0.000 0.491 182 K N 0.116 120.557 120.400 0.068 0.000 3.209 182 K HA -0.181 4.139 4.320 -0.000 0.000 0.289 182 K C -0.158 176.546 176.600 0.173 0.000 1.191 182 K CA 1.228 57.573 56.287 0.097 0.000 0.851 182 K CB -2.654 29.859 32.500 0.022 0.000 1.242 182 K HN 0.363 nan 8.250 nan 0.000 0.480 183 N N 0.789 119.573 118.700 0.141 0.000 2.487 183 N HA 0.397 5.137 4.740 -0.000 0.000 0.292 183 N C 0.301 175.836 175.510 0.042 0.000 1.108 183 N CA 0.266 53.391 53.050 0.124 0.000 0.956 183 N CB 1.726 40.240 38.487 0.046 0.000 1.176 183 N HN 0.763 nan 8.380 nan 0.000 0.484 184 S N -0.138 115.519 115.700 -0.071 0.000 2.548 184 S HA 0.473 4.943 4.470 -0.000 0.000 0.277 184 S C 0.264 174.650 174.600 -0.358 0.000 1.315 184 S CA -0.692 57.175 58.200 -0.554 0.000 1.050 184 S CB 0.561 63.423 63.200 -0.562 0.000 0.918 184 S HN 0.386 nan 8.310 nan 0.000 0.497 185 V N -1.069 118.566 119.914 -0.465 0.000 3.007 185 V HA 0.966 5.086 4.120 -0.000 0.000 0.311 185 V C -0.284 175.667 176.094 -0.238 0.000 1.120 185 V CA -1.115 61.033 62.300 -0.253 0.000 0.980 185 V CB 1.230 32.949 31.823 -0.174 0.000 1.033 185 V HN 1.310 nan 8.190 nan 0.000 0.429 186 A N 3.059 125.824 122.820 -0.091 0.000 2.303 186 A HA 0.921 5.241 4.320 -0.000 0.000 0.320 186 A C -0.590 176.974 177.584 -0.033 0.000 1.192 186 A CA -0.582 51.444 52.037 -0.018 0.000 0.821 186 A CB 1.241 20.270 19.000 0.048 0.000 1.188 186 A HN 1.383 nan 8.150 nan 0.000 0.492 187 V N 1.127 121.024 119.914 -0.029 0.000 3.102 187 V HA 0.974 5.094 4.120 -0.000 0.000 0.312 187 V C 0.593 176.600 176.094 -0.145 0.000 1.135 187 V CA 0.132 62.436 62.300 0.007 0.000 1.022 187 V CB 2.154 34.047 31.823 0.116 0.000 1.056 187 V HN 1.513 nan 8.190 nan 0.000 0.436 188 G N 0.533 109.224 108.800 -0.181 0.000 2.489 188 G HA2 0.674 4.634 3.960 -0.000 0.000 0.305 188 G HA3 0.674 4.634 3.960 -0.000 0.000 0.305 188 G C -2.058 172.747 174.900 -0.159 0.000 1.311 188 G CA -0.215 44.541 45.100 -0.575 0.000 0.813 188 G HN 1.339 nan 8.290 nan 0.000 0.480 189 Y N -1.860 118.205 120.300 -0.391 0.000 2.597 189 Y HA 0.792 5.342 4.550 0.000 0.000 0.340 189 Y C -1.402 174.383 175.900 -0.192 0.000 1.097 189 Y CA -1.544 56.464 58.100 -0.154 0.000 1.037 189 Y CB 1.679 40.113 38.460 -0.043 0.000 1.305 189 Y HN 0.527 nan 8.280 nan 0.000 0.463 190 V N 2.671 122.547 119.914 -0.064 0.000 2.448 190 V HA 0.686 4.806 4.120 -0.000 0.000 0.295 190 V C 0.497 176.677 176.094 0.143 0.000 1.025 190 V CA -0.442 61.776 62.300 -0.137 0.000 0.859 190 V CB 1.425 33.171 31.823 -0.128 0.000 0.988 190 V HN 1.142 nan 8.190 nan 0.000 0.431 191 G N 2.256 111.154 108.800 0.163 0.000 2.406 191 G HA2 0.280 4.240 3.960 -0.000 0.000 0.251 191 G HA3 0.280 4.240 3.960 -0.000 0.000 0.251 191 G C 0.429 175.392 174.900 0.104 0.000 1.271 191 G CA -0.141 45.095 45.100 0.227 0.000 0.859 191 G HN 0.895 nan 8.290 nan 0.000 0.540 192 C N 2.210 121.565 119.300 0.091 0.000 2.994 192 C HA 0.656 5.116 4.460 -0.000 0.000 0.284 192 C C 1.596 176.624 174.990 0.065 0.000 1.404 192 C CA 0.012 59.068 59.018 0.063 0.000 1.775 192 C CB -1.480 26.287 27.740 0.044 0.000 2.458 192 C HN 1.420 nan 8.230 nan 0.000 0.593 193 G N 2.026 110.868 108.800 0.070 0.000 2.553 193 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.242 193 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.242 193 G C 0.311 175.243 174.900 0.053 0.000 1.277 193 G CA 0.291 45.427 45.100 0.061 0.000 0.910 193 G HN 1.036 nan 8.290 nan 0.000 0.576 194 S N -1.738 113.990 115.700 0.047 0.000 3.031 194 S HA 0.551 5.021 4.470 -0.000 0.000 0.253 194 S C -0.215 174.409 174.600 0.040 0.000 0.996 194 S CA 0.571 58.796 58.200 0.041 0.000 1.098 194 S CB 0.720 63.941 63.200 0.036 0.000 1.042 194 S HN 1.440 nan 8.310 nan 0.000 0.593 195 V N 2.130 122.071 119.914 0.045 0.000 2.384 195 V HA 0.688 4.808 4.120 -0.000 0.000 0.287 195 V C 1.412 177.537 176.094 0.051 0.000 1.020 195 V CA -0.190 62.137 62.300 0.046 0.000 0.850 195 V CB 0.940 32.792 31.823 0.049 0.000 0.987 195 V HN 0.451 nan 8.190 nan 0.000 0.436 196 A N 3.047 125.896 122.820 0.048 0.000 1.933 196 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 196 A C 0.892 178.513 177.584 0.062 0.000 1.175 196 A CA 1.151 53.219 52.037 0.053 0.000 0.628 196 A CB -0.141 18.887 19.000 0.047 0.000 0.814 196 A HN 0.790 nan 8.150 nan 0.000 0.444 197 D N 0.590 121.026 120.400 0.060 0.000 2.412 197 D HA 0.394 5.034 4.640 -0.000 0.000 0.224 197 D C -0.776 175.567 176.300 0.071 0.000 1.093 197 D CA -0.093 53.947 54.000 0.067 0.000 0.850 197 D CB 0.979 41.814 40.800 0.059 0.000 1.046 197 D HN 0.208 nan 8.370 nan 0.000 0.507 198 L N 2.331 123.605 121.223 0.084 0.000 2.410 198 L HA 0.039 4.379 4.340 -0.000 0.000 0.273 198 L C 1.414 178.333 176.870 0.082 0.000 1.152 198 L CA -0.137 54.758 54.840 0.092 0.000 0.855 198 L CB 0.653 42.782 42.059 0.117 0.000 1.129 198 L HN 0.357 nan 8.230 nan 0.000 0.463 199 S N 1.728 117.473 115.700 0.076 0.000 2.624 199 S HA 0.034 4.504 4.470 -0.000 0.000 0.263 199 S C 1.040 175.668 174.600 0.047 0.000 1.287 199 S CA -0.543 57.690 58.200 0.055 0.000 0.990 199 S CB 1.286 64.527 63.200 0.069 0.000 0.950 199 S HN 0.745 nan 8.310 nan 0.000 0.561 200 E N 1.292 121.466 120.200 -0.043 0.000 2.086 200 E HA -0.262 4.088 4.350 -0.000 0.000 0.200 200 E C 1.962 178.635 176.600 0.121 0.000 1.012 200 E CA 1.936 58.246 56.400 -0.151 0.000 0.812 200 E CB -0.860 28.621 29.700 -0.364 0.000 0.743 200 E HN 0.800 nan 8.360 nan 0.000 0.453 201 A N 1.235 124.126 122.820 0.118 0.000 1.930 201 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 201 A C 1.915 179.586 177.584 0.145 0.000 1.175 201 A CA 1.649 53.778 52.037 0.152 0.000 0.627 201 A CB -0.404 18.676 19.000 0.134 0.000 0.815 201 A HN 0.275 nan 8.150 nan 0.000 0.443 202 D N -0.698 119.778 120.400 0.127 0.000 2.097 202 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 202 D C 1.822 178.208 176.300 0.144 0.000 0.989 202 D CA 1.790 55.860 54.000 0.117 0.000 0.827 202 D CB -0.394 40.467 40.800 0.103 0.000 0.966 202 D HN 0.396 nan 8.370 nan 0.000 0.456 203 M N 1.152 120.872 119.600 0.201 0.000 2.159 203 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 203 M C 1.811 178.249 176.300 0.229 0.000 1.063 203 M CA 1.528 56.984 55.300 0.260 0.000 1.110 203 M CB -0.211 32.629 32.600 0.400 0.000 1.374 203 M HN -0.186 nan 8.290 nan 0.000 0.411 204 K N -0.852 119.701 120.400 0.255 0.000 2.147 204 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 204 K C 2.234 178.880 176.600 0.076 0.000 1.049 204 K CA 1.534 57.908 56.287 0.144 0.000 0.936 204 K CB -0.094 32.523 32.500 0.195 0.000 0.722 204 K HN 0.294 nan 8.250 nan 0.000 0.446 205 R N 0.099 120.653 120.500 0.090 0.000 2.075 205 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 205 R C 1.954 178.272 176.300 0.031 0.000 1.126 205 R CA 1.264 57.397 56.100 0.055 0.000 0.963 205 R CB -0.259 30.078 30.300 0.062 0.000 0.858 205 R HN 0.018 nan 8.270 nan 0.000 0.435 206 V N -0.290 119.654 119.914 0.050 0.000 2.343 206 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 206 V C 2.185 178.279 176.094 -0.001 0.000 1.051 206 V CA 1.682 64.001 62.300 0.032 0.000 1.036 206 V CB -0.216 31.651 31.823 0.073 0.000 0.654 206 V HN 0.198 nan 8.190 nan 0.000 0.451 207 V N -0.303 119.603 119.914 -0.013 0.000 2.358 207 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 207 V C 2.271 178.282 176.094 -0.139 0.000 1.047 207 V CA 1.799 64.019 62.300 -0.134 0.000 1.035 207 V CB -0.457 31.216 31.823 -0.249 0.000 0.658 207 V HN 0.448 nan 8.190 nan 0.000 0.452 208 L N -0.442 120.735 121.223 -0.077 0.000 2.131 208 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 208 L C 2.583 179.407 176.870 -0.078 0.000 1.092 208 L CA 1.426 56.228 54.840 -0.062 0.000 0.759 208 L CB -0.542 41.508 42.059 -0.015 0.000 0.903 208 L HN 0.297 nan 8.230 nan 0.000 0.435 209 S N -0.083 115.571 115.700 -0.077 0.000 2.368 209 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 209 S C 1.833 176.349 174.600 -0.141 0.000 1.029 209 S CA 0.953 59.095 58.200 -0.096 0.000 0.988 209 S CB -0.238 62.903 63.200 -0.100 0.000 0.838 209 S HN 0.221 nan 8.310 nan 0.000 0.462 210 L N 1.841 122.972 121.223 -0.155 0.000 2.083 210 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 210 L C 2.101 178.819 176.870 -0.253 0.000 1.083 210 L CA 1.529 56.251 54.840 -0.196 0.000 0.752 210 L CB -0.647 41.306 42.059 -0.176 0.000 0.899 210 L HN 0.129 nan 8.230 nan 0.000 0.433 211 V N -0.561 119.194 119.914 -0.266 0.000 2.626 211 V HA -0.230 3.890 4.120 -0.000 0.000 0.252 211 V C 2.613 178.501 176.094 -0.342 0.000 1.067 211 V CA 1.762 63.840 62.300 -0.370 0.000 1.081 211 V CB -1.119 30.518 31.823 -0.308 0.000 0.686 211 V HN 0.754 nan 8.190 nan 0.000 0.468 212 T N -2.165 112.288 114.554 -0.167 0.000 2.962 212 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 212 T C 1.686 176.355 174.700 -0.051 0.000 1.088 212 T CA 1.332 63.395 62.100 -0.062 0.000 1.127 212 T CB -0.346 68.510 68.868 -0.021 0.000 0.883 212 T HN 0.426 nan 8.240 nan 0.000 0.493 213 M N 0.315 119.855 119.600 -0.099 0.000 2.319 213 M HA 0.232 4.712 4.480 -0.000 0.000 0.265 213 M C 2.072 178.335 176.300 -0.061 0.000 1.068 213 M CA 1.071 56.352 55.300 -0.031 0.000 1.118 213 M CB -0.448 32.076 32.600 -0.126 0.000 1.395 213 M HN 0.222 nan 8.290 nan 0.000 0.435 214 L N -1.267 119.843 121.223 -0.189 0.000 2.162 214 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 214 L C 0.881 177.733 176.870 -0.031 0.000 1.086 214 L CA 0.161 54.881 54.840 -0.199 0.000 0.778 214 L CB -0.574 41.172 42.059 -0.522 0.000 0.928 214 L HN 0.238 nan 8.230 nan 0.000 0.446 215 H N 1.322 120.386 119.070 -0.009 0.000 2.790 215 H HA 0.008 4.564 4.556 0.000 0.000 0.358 215 H C 0.107 175.414 175.328 -0.035 0.000 1.103 215 H CA -0.072 55.967 56.048 -0.014 0.000 1.426 215 H CB 0.481 30.233 29.762 -0.018 0.000 1.424 215 H HN 0.128 nan 8.280 nan 0.000 0.599 216 D N 0.553 121.004 120.400 0.086 0.000 2.945 216 D HA -0.228 4.412 4.640 -0.000 0.000 0.225 216 D C -0.340 175.955 176.300 -0.007 0.000 1.158 216 D CA 0.708 54.714 54.000 0.011 0.000 0.805 216 D CB -1.101 39.697 40.800 -0.003 0.000 1.098 216 D HN 0.502 nan 8.370 nan 0.000 0.426 217 N N 0.714 119.417 118.700 0.005 0.000 2.571 217 N HA 0.100 4.840 4.740 -0.000 0.000 0.286 217 N C -0.964 174.549 175.510 0.005 0.000 1.138 217 N CA -0.424 52.621 53.050 -0.008 0.000 0.859 217 N CB 0.982 39.464 38.487 -0.009 0.000 1.414 217 N HN -0.087 nan 8.380 nan 0.000 0.529 218 K N 3.426 123.826 120.400 -0.000 0.000 2.307 218 K HA 0.216 4.536 4.320 -0.000 0.000 0.285 218 K C -0.359 176.255 176.600 0.024 0.000 1.073 218 K CA 0.261 56.554 56.287 0.009 0.000 0.996 218 K CB 0.396 32.898 32.500 0.003 0.000 0.994 218 K HN 0.415 nan 8.250 nan 0.000 0.452 219 L N 1.599 122.845 121.223 0.040 0.000 2.362 219 L HA 0.183 4.523 4.340 -0.000 0.000 0.271 219 L C 1.239 178.155 176.870 0.076 0.000 1.002 219 L CA -0.372 54.498 54.840 0.051 0.000 0.818 219 L CB 2.071 44.155 42.059 0.042 0.000 1.298 219 L HN 0.576 nan 8.230 nan 0.000 0.420 220 S N 0.755 116.507 115.700 0.087 0.000 2.486 220 S HA 0.097 4.567 4.470 -0.000 0.000 0.220 220 S C 0.366 175.066 174.600 0.166 0.000 1.011 220 S CA 0.060 58.334 58.200 0.123 0.000 0.921 220 S CB 0.246 63.527 63.200 0.135 0.000 0.785 220 S HN 0.614 nan 8.310 nan 0.000 0.517 221 K N -0.009 120.470 120.400 0.133 0.000 2.498 221 K HA 0.591 4.911 4.320 -0.000 0.000 0.254 221 K C -2.249 174.400 176.600 0.083 0.000 0.933 221 K CA -1.012 55.363 56.287 0.147 0.000 0.806 221 K CB 1.874 34.462 32.500 0.146 0.000 1.301 221 K HN 0.182 nan 8.250 nan 0.000 0.432 222 L N 2.010 123.279 121.223 0.077 0.000 2.386 222 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 222 L C -1.466 175.445 176.870 0.068 0.000 0.993 222 L CA 0.187 55.044 54.840 0.028 0.000 0.819 222 L CB 2.375 44.416 42.059 -0.030 0.000 1.294 222 L HN 0.663 nan 8.230 nan 0.000 0.414 223 T N 4.159 118.741 114.554 0.047 0.000 2.812 223 T HA 0.645 4.995 4.350 -0.000 0.000 0.282 223 T C -0.942 173.769 174.700 0.018 0.000 0.990 223 T CA -0.398 61.759 62.100 0.094 0.000 0.960 223 T CB 1.555 70.495 68.868 0.120 0.000 0.948 223 T HN 0.370 nan 8.240 nan 0.000 0.438 224 V N 3.899 123.861 119.914 0.079 0.000 2.417 224 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 224 V C -0.210 175.897 176.094 0.022 0.000 1.024 224 V CA -0.759 61.535 62.300 -0.011 0.000 0.861 224 V CB 1.802 33.655 31.823 0.051 0.000 0.985 224 V HN 0.709 nan 8.190 nan 0.000 0.436 225 V N 5.421 125.214 119.914 -0.202 0.000 2.347 225 V HA 0.433 4.553 4.120 -0.000 0.000 0.280 225 V C -0.524 175.536 176.094 -0.057 0.000 1.021 225 V CA -0.438 61.781 62.300 -0.135 0.000 0.847 225 V CB 1.217 32.709 31.823 -0.552 0.000 0.990 225 V HN 0.655 nan 8.190 nan 0.000 0.444 226 F N 3.348 123.258 119.950 -0.067 0.000 2.375 226 F HA 0.365 4.892 4.527 0.000 0.000 0.362 226 F C 1.269 177.061 175.800 -0.014 0.000 1.129 226 F CA -0.209 57.739 58.000 -0.086 0.000 1.154 226 F CB 0.905 39.809 39.000 -0.159 0.000 1.205 226 F HN 0.543 nan 8.300 nan 0.000 0.513 227 E N 5.334 125.608 120.200 0.124 0.000 2.499 227 E HA 0.209 4.559 4.350 -0.000 0.000 0.207 227 E C -0.210 176.446 176.600 0.093 0.000 1.034 227 E CA 0.024 56.498 56.400 0.122 0.000 1.098 227 E CB 0.340 30.121 29.700 0.134 0.000 1.148 227 E HN 0.577 nan 8.360 nan 0.000 0.447 228 I N -3.447 117.192 120.570 0.116 0.000 3.042 228 I HA 0.475 4.645 4.170 -0.000 0.000 0.310 228 I C -0.442 175.762 176.117 0.145 0.000 1.117 228 I CA -1.219 60.146 61.300 0.109 0.000 1.003 228 I CB 1.920 39.971 38.000 0.086 0.000 1.228 228 I HN -0.275 nan 8.210 nan 0.000 0.443 229 N N 2.496 121.266 118.700 0.117 0.000 2.434 229 N HA 0.538 5.278 4.740 -0.000 0.000 0.272 229 N C -1.010 174.580 175.510 0.133 0.000 1.040 229 N CA -0.096 53.020 53.050 0.110 0.000 0.956 229 N CB 2.030 40.569 38.487 0.088 0.000 1.108 229 N HN 0.597 nan 8.380 nan 0.000 0.481 230 V N -0.213 119.779 119.914 0.130 0.000 2.925 230 V HA 0.512 4.632 4.120 -0.000 0.000 0.311 230 V C -0.324 175.903 176.094 0.221 0.000 1.104 230 V CA -1.162 61.240 62.300 0.169 0.000 0.954 230 V CB 1.978 33.925 31.823 0.208 0.000 1.022 230 V HN 0.560 nan 8.190 nan 0.000 0.427 231 D N 2.281 122.802 120.400 0.202 0.000 2.411 231 D HA 0.288 4.928 4.640 -0.000 0.000 0.251 231 D C 0.772 177.238 176.300 0.275 0.000 1.201 231 D CA -0.367 53.743 54.000 0.182 0.000 0.996 231 D CB 1.079 41.935 40.800 0.095 0.000 1.101 231 D HN 0.592 nan 8.370 nan 0.000 0.504 232 K N -0.549 119.926 120.400 0.125 0.000 2.103 232 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 232 K C 1.639 178.385 176.600 0.243 0.000 1.048 232 K CA 1.206 57.579 56.287 0.143 0.000 0.930 232 K CB -0.114 32.339 32.500 -0.079 0.000 0.716 232 K HN 0.327 nan 8.250 nan 0.000 0.444 233 N N 0.744 119.541 118.700 0.162 0.000 2.216 233 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 233 N C 1.648 177.290 175.510 0.220 0.000 1.017 233 N CA 0.762 53.905 53.050 0.156 0.000 0.861 233 N CB -0.149 38.393 38.487 0.092 0.000 0.986 233 N HN 0.041 nan 8.380 nan 0.000 0.428 234 L N 0.251 121.611 121.223 0.229 0.000 2.093 234 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 234 L C 1.971 179.059 176.870 0.364 0.000 1.085 234 L CA 1.137 56.145 54.840 0.279 0.000 0.755 234 L CB -0.868 41.325 42.059 0.224 0.000 0.904 234 L HN 0.021 nan 8.230 nan 0.000 0.435 235 F N 0.309 120.372 119.950 0.189 0.000 2.102 235 F HA -0.218 4.309 4.527 0.000 0.000 0.298 235 F C 2.756 178.663 175.800 0.180 0.000 1.105 235 F CA 1.924 59.983 58.000 0.098 0.000 1.239 235 F CB -0.350 38.649 39.000 -0.001 0.000 0.991 235 F HN 0.040 nan 8.300 nan 0.000 0.474 236 R N -0.692 119.901 120.500 0.156 0.000 2.091 236 R HA -0.230 4.110 4.340 -0.000 0.000 0.238 236 R C 2.406 178.722 176.300 0.026 0.000 1.136 236 R CA 1.928 58.046 56.100 0.030 0.000 0.959 236 R CB -0.884 29.480 30.300 0.108 0.000 0.856 236 R HN 0.419 nan 8.270 nan 0.000 0.437 237 F N 0.679 120.642 119.950 0.022 0.000 2.134 237 F HA -0.219 4.308 4.527 0.000 0.000 0.299 237 F C 1.894 177.688 175.800 -0.010 0.000 1.097 237 F CA 1.438 59.456 58.000 0.030 0.000 1.264 237 F CB -0.709 38.334 39.000 0.071 0.000 1.001 237 F HN 0.037 nan 8.300 nan 0.000 0.479 238 F N 0.941 120.828 119.950 -0.104 0.000 2.043 238 F HA -0.309 4.218 4.527 0.000 0.000 0.297 238 F C 2.001 177.529 175.800 -0.454 0.000 1.118 238 F CA 2.309 60.168 58.000 -0.236 0.000 1.202 238 F CB -0.795 38.163 39.000 -0.070 0.000 0.965 238 F HN -0.008 nan 8.300 nan 0.000 0.482 239 L N -0.090 120.833 121.223 -0.500 0.000 2.046 239 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 239 L C 2.443 178.673 176.870 -1.065 0.000 1.077 239 L CA 1.894 56.172 54.840 -0.936 0.000 0.747 239 L CB -0.903 40.694 42.059 -0.769 0.000 0.896 239 L HN 0.223 nan 8.230 nan 0.000 0.432 240 E N -0.492 119.388 120.200 -0.533 0.000 2.077 240 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 240 E C 2.094 178.559 176.600 -0.224 0.000 0.989 240 E CA 1.849 58.129 56.400 -0.201 0.000 0.800 240 E CB -0.060 29.618 29.700 -0.036 0.000 0.746 240 E HN 0.437 nan 8.360 nan 0.000 0.452 241 T N 1.203 115.455 114.554 -0.502 0.000 2.812 241 T HA -0.093 4.257 4.350 -0.000 0.000 0.264 241 T C 1.788 176.288 174.700 -0.333 0.000 1.042 241 T CA 0.556 62.385 62.100 -0.451 0.000 1.140 241 T CB -0.174 68.240 68.868 -0.758 0.000 0.870 241 T HN 0.028 nan 8.240 nan 0.000 0.445 242 L N 0.802 121.672 121.223 -0.588 0.000 1.989 242 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 242 L C 1.947 178.695 176.870 -0.202 0.000 1.071 242 L CA 1.883 56.394 54.840 -0.548 0.000 0.749 242 L CB -0.944 40.564 42.059 -0.918 0.000 0.890 242 L HN 0.108 nan 8.230 nan 0.000 0.431 243 F N -1.152 118.635 119.950 -0.272 0.000 2.102 243 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 243 F C 2.565 178.242 175.800 -0.204 0.000 1.105 243 F CA 1.410 59.188 58.000 -0.369 0.000 1.239 243 F CB -1.596 36.997 39.000 -0.679 0.000 0.991 243 F HN 0.202 nan 8.300 nan 0.000 0.474 244 Y N 1.199 121.599 120.300 0.166 0.000 2.181 244 Y HA -0.194 4.356 4.550 0.000 0.000 0.288 244 Y C 2.262 178.247 175.900 0.141 0.000 1.146 244 Y CA 1.836 60.097 58.100 0.268 0.000 1.164 244 Y CB -0.190 38.404 38.460 0.224 0.000 0.982 244 Y HN -0.029 nan 8.280 nan 0.000 0.515 245 E N -1.239 119.034 120.200 0.122 0.000 2.216 245 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 245 E C 1.782 178.438 176.600 0.093 0.000 0.988 245 E CA 0.677 57.108 56.400 0.053 0.000 0.834 245 E CB -0.562 29.161 29.700 0.038 0.000 0.772 245 E HN 0.561 nan 8.360 nan 0.000 0.479 246 Y N 1.258 121.518 120.300 -0.067 0.000 2.243 246 Y HA 0.023 4.573 4.550 -0.000 0.000 0.293 246 Y C 1.053 177.027 175.900 0.123 0.000 1.124 246 Y CA 0.193 58.280 58.100 -0.020 0.000 1.159 246 Y CB -0.193 38.248 38.460 -0.031 0.000 1.008 246 Y HN -0.035 nan 8.280 nan 0.000 0.527 247 M N 1.608 121.226 119.600 0.031 0.000 2.260 247 M HA 0.082 4.562 4.480 -0.000 0.000 0.348 247 M C -0.707 175.550 176.300 -0.071 0.000 1.342 247 M CA 0.919 56.125 55.300 -0.156 0.000 1.040 247 M CB 0.055 32.390 32.600 -0.442 0.000 1.810 247 M HN 0.117 nan 8.290 nan 0.000 0.453 248 T N 4.321 118.889 114.554 0.023 0.000 2.807 248 T HA 0.265 4.615 4.350 -0.000 0.000 0.279 248 T C -1.082 173.659 174.700 0.069 0.000 0.993 248 T CA -0.644 61.478 62.100 0.036 0.000 0.970 248 T CB 0.918 69.794 68.868 0.014 0.000 0.950 248 T HN 0.581 nan 8.240 nan 0.000 0.441 249 D N 2.385 122.844 120.400 0.099 0.000 2.380 249 D HA 0.144 4.784 4.640 -0.000 0.000 0.230 249 D C 0.419 176.747 176.300 0.047 0.000 1.154 249 D CA -0.213 53.859 54.000 0.120 0.000 0.859 249 D CB 0.739 41.604 40.800 0.108 0.000 1.045 249 D HN 0.522 nan 8.370 nan 0.000 0.495 250 E N 2.912 123.116 120.200 0.007 0.000 2.624 250 E HA 0.104 4.454 4.350 -0.000 0.000 0.210 250 E C 1.320 177.854 176.600 -0.109 0.000 0.997 250 E CA -0.199 56.187 56.400 -0.024 0.000 0.999 250 E CB 0.697 30.386 29.700 -0.018 0.000 1.040 250 E HN 0.373 nan 8.360 nan 0.000 0.469 251 R N -0.122 120.244 120.500 -0.224 0.000 2.127 251 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 251 R C 0.944 176.835 176.300 -0.681 0.000 1.134 251 R CA 1.320 57.106 56.100 -0.524 0.000 0.975 251 R CB -0.028 29.757 30.300 -0.858 0.000 0.865 251 R HN 0.115 nan 8.270 nan 0.000 0.447 252 F N 0.368 120.243 119.950 -0.124 0.000 2.653 252 F HA 0.205 4.732 4.527 -0.000 0.000 0.304 252 F C 0.406 176.168 175.800 -0.063 0.000 1.092 252 F CA -0.301 57.620 58.000 -0.132 0.000 1.279 252 F CB 0.369 39.261 39.000 -0.180 0.000 1.044 252 F HN -0.381 nan 8.300 nan 0.000 0.564 253 K N 0.454 120.881 120.400 0.044 0.000 2.218 253 K HA 0.324 4.644 4.320 -0.000 0.000 0.276 253 K C 0.764 177.372 176.600 0.013 0.000 1.022 253 K CA 0.105 56.411 56.287 0.031 0.000 0.946 253 K CB 2.007 34.512 32.500 0.008 0.000 1.000 253 K HN 0.117 nan 8.250 nan 0.000 0.468 254 S N 0.524 116.237 115.700 0.022 0.000 3.884 254 S HA -0.077 4.393 4.470 -0.000 0.000 0.174 254 S C 1.550 176.157 174.600 0.011 0.000 0.872 254 S CA 0.645 58.855 58.200 0.018 0.000 1.015 254 S CB -0.453 62.768 63.200 0.035 0.000 1.395 254 S HN 0.672 nan 8.310 nan 0.000 0.737 255 T N 0.161 114.725 114.554 0.015 0.000 3.007 255 T HA 0.204 4.554 4.350 -0.000 0.000 0.270 255 T C 0.731 175.433 174.700 0.004 0.000 1.107 255 T CA 1.637 63.742 62.100 0.009 0.000 1.118 255 T CB -1.427 67.448 68.868 0.011 0.000 0.889 255 T HN 0.672 nan 8.240 nan 0.000 0.506 263 Y N 0.969 121.235 120.300 -0.058 0.000 2.301 263 Y HA 0.569 5.119 4.550 0.000 0.000 0.325 263 Y C 1.763 177.692 175.900 0.048 0.000 1.203 263 Y CA -0.618 57.450 58.100 -0.054 0.000 1.255 263 Y CB 1.194 39.522 38.460 -0.220 0.000 1.232 263 Y HN 0.776 nan 8.280 nan 0.000 0.501 264 I N -0.107 120.659 120.570 0.327 0.000 3.003 264 I HA -0.022 4.148 4.170 -0.000 0.000 0.294 264 I C 0.228 176.398 176.117 0.090 0.000 1.237 264 I CA -0.012 61.401 61.300 0.189 0.000 1.417 264 I CB 0.712 38.816 38.000 0.173 0.000 1.340 264 I HN 0.706 nan 8.210 nan 0.000 0.594 265 K N 2.108 122.494 120.400 -0.023 0.000 2.360 265 K HA 0.285 4.605 4.320 -0.000 0.000 0.196 265 K C -0.429 175.849 176.600 -0.537 0.000 1.049 265 K CA 0.087 56.203 56.287 -0.286 0.000 1.049 265 K CB 0.201 32.476 32.500 -0.375 0.000 0.881 265 K HN 0.611 nan 8.250 nan 0.000 0.542 266 H N 0.038 119.146 119.070 0.064 0.000 2.865 266 H HA 0.282 4.838 4.556 -0.000 0.000 0.362 266 H C -1.670 173.704 175.328 0.076 0.000 1.114 266 H CA -1.032 55.053 56.048 0.062 0.000 1.208 266 H CB 2.198 32.000 29.762 0.065 0.000 1.727 266 H HN -0.125 nan 8.280 nan 0.000 0.534 267 L N 1.868 123.203 121.223 0.187 0.000 2.372 267 L HA 0.632 4.972 4.340 -0.000 0.000 0.274 267 L C -0.247 176.714 176.870 0.151 0.000 0.988 267 L CA -0.168 54.767 54.840 0.159 0.000 0.833 267 L CB 1.616 43.773 42.059 0.165 0.000 1.236 267 L HN 0.760 nan 8.230 nan 0.000 0.410 268 G N 3.876 112.778 108.800 0.170 0.000 2.389 268 G HA2 0.650 4.610 3.960 -0.000 0.000 0.328 268 G HA3 0.650 4.610 3.960 -0.000 0.000 0.328 268 G C -1.584 173.426 174.900 0.183 0.000 1.133 268 G CA -0.540 44.666 45.100 0.176 0.000 0.891 268 G HN 0.524 nan 8.290 nan 0.000 0.485 269 V N 1.665 121.633 119.914 0.091 0.000 2.569 269 V HA 0.338 4.458 4.120 -0.000 0.000 0.301 269 V C -1.459 174.670 176.094 0.058 0.000 1.044 269 V CA -0.823 61.583 62.300 0.176 0.000 0.874 269 V CB 1.438 33.386 31.823 0.207 0.000 1.002 269 V HN 0.686 nan 8.190 nan 0.000 0.424 270 Y N 4.971 125.361 120.300 0.150 0.000 2.331 270 Y HA 0.794 5.344 4.550 -0.000 0.000 0.338 270 Y C 0.011 175.938 175.900 0.046 0.000 0.992 270 Y CA -0.583 57.586 58.100 0.115 0.000 1.121 270 Y CB 1.847 40.356 38.460 0.081 0.000 1.184 270 Y HN 0.591 nan 8.280 nan 0.000 0.469 271 I N 2.608 123.208 120.570 0.050 0.000 2.841 271 I HA 0.306 4.476 4.170 -0.000 0.000 0.298 271 I C -1.237 174.833 176.117 -0.078 0.000 1.304 271 I CA -0.832 60.392 61.300 -0.128 0.000 1.019 271 I CB 1.593 39.225 38.000 -0.612 0.000 1.282 271 I HN 0.562 nan 8.210 nan 0.000 0.432 272 N N 5.123 123.795 118.700 -0.047 0.000 2.441 272 N HA 0.097 4.837 4.740 -0.000 0.000 0.251 272 N C -0.263 175.274 175.510 0.046 0.000 1.242 272 N CA 0.590 53.650 53.050 0.016 0.000 0.898 272 N CB 0.207 38.716 38.487 0.037 0.000 1.100 272 N HN 0.621 nan 8.380 nan 0.000 0.443 273 N N -0.083 118.648 118.700 0.051 0.000 2.725 273 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 273 N C 0.777 176.331 175.510 0.074 0.000 1.031 273 N CA 0.716 53.796 53.050 0.050 0.000 0.720 273 N CB -1.107 37.407 38.487 0.045 0.000 0.930 273 N HN 0.691 nan 8.380 nan 0.000 0.543 274 A N 0.019 122.852 122.820 0.022 0.000 1.958 274 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 274 A C 1.856 179.420 177.584 -0.034 0.000 1.178 274 A CA 2.207 54.227 52.037 -0.029 0.000 0.642 274 A CB -0.306 18.653 19.000 -0.069 0.000 0.816 274 A HN 0.454 nan 8.150 nan 0.000 0.453 275 D N -1.171 119.204 120.400 -0.041 0.000 2.219 275 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 275 D C 2.187 178.432 176.300 -0.092 0.000 0.970 275 D CA 1.705 55.670 54.000 -0.058 0.000 0.851 275 D CB -0.104 40.669 40.800 -0.046 0.000 0.943 275 D HN 0.666 nan 8.370 nan 0.000 0.488 276 T N -2.684 111.784 114.554 -0.144 0.000 3.067 276 T HA -0.090 4.260 4.350 -0.000 0.000 0.261 276 T C 1.531 176.003 174.700 -0.380 0.000 1.110 276 T CA 0.557 62.499 62.100 -0.263 0.000 1.113 276 T CB -0.355 68.305 68.868 -0.345 0.000 0.917 276 T HN 0.210 nan 8.240 nan 0.000 0.499 277 Y N 1.276 121.408 120.300 -0.280 0.000 2.503 277 Y HA 0.374 4.924 4.550 0.000 0.000 0.278 277 Y C 2.546 178.323 175.900 -0.204 0.000 1.111 277 Y CA -0.140 57.709 58.100 -0.417 0.000 1.270 277 Y CB 0.040 37.884 38.460 -1.027 0.000 1.063 277 Y HN 0.093 nan 8.280 nan 0.000 0.548 278 K N 0.450 120.840 120.400 -0.017 0.000 2.059 278 K HA -0.261 4.059 4.320 -0.000 0.000 0.212 278 K C 2.135 178.762 176.600 0.045 0.000 1.050 278 K CA 2.146 58.442 56.287 0.016 0.000 0.927 278 K CB -0.367 32.117 32.500 -0.027 0.000 0.714 278 K HN 0.440 nan 8.250 nan 0.000 0.447 279 E N 1.184 121.391 120.200 0.011 0.000 2.267 279 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 279 E C 1.457 178.085 176.600 0.047 0.000 0.998 279 E CA 1.167 57.575 56.400 0.014 0.000 0.830 279 E CB -0.525 29.162 29.700 -0.021 0.000 0.751 279 E HN 0.409 nan 8.360 nan 0.000 0.491 280 E N 0.282 120.552 120.200 0.117 0.000 2.285 280 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 280 E C 2.284 178.968 176.600 0.140 0.000 0.997 280 E CA 0.902 57.393 56.400 0.152 0.000 0.845 280 E CB -0.226 29.677 29.700 0.338 0.000 0.782 280 E HN 0.461 nan 8.360 nan 0.000 0.491 281 V N 2.019 122.041 119.914 0.180 0.000 2.237 281 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 281 V C 2.215 178.396 176.094 0.146 0.000 1.046 281 V CA 1.769 64.171 62.300 0.170 0.000 1.007 281 V CB -0.312 31.613 31.823 0.169 0.000 0.638 281 V HN 0.160 nan 8.190 nan 0.000 0.445 282 E N -0.065 120.197 120.200 0.104 0.000 2.152 282 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 282 E C 2.127 178.779 176.600 0.088 0.000 0.983 282 E CA 0.862 57.323 56.400 0.101 0.000 0.818 282 E CB -0.258 29.486 29.700 0.073 0.000 0.758 282 E HN 0.571 nan 8.360 nan 0.000 0.467 283 K N 0.864 121.273 120.400 0.014 0.000 2.057 283 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 283 K C 2.042 178.570 176.600 -0.120 0.000 1.049 283 K CA 1.227 57.442 56.287 -0.119 0.000 0.931 283 K CB -0.030 32.330 32.500 -0.234 0.000 0.714 283 K HN 0.062 nan 8.250 nan 0.000 0.440 284 A N 1.202 124.029 122.820 0.011 0.000 1.898 284 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 284 A C 2.121 179.923 177.584 0.363 0.000 1.181 284 A CA 1.409 53.517 52.037 0.118 0.000 0.620 284 A CB -0.501 18.527 19.000 0.046 0.000 0.819 284 A HN 0.341 nan 8.150 nan 0.000 0.442 285 R N -0.472 120.256 120.500 0.380 0.000 2.096 285 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 285 R C 1.934 178.535 176.300 0.502 0.000 1.127 285 R CA 1.591 57.942 56.100 0.418 0.000 0.968 285 R CB -0.313 30.114 30.300 0.212 0.000 0.861 285 R HN 0.342 nan 8.270 nan 0.000 0.440 286 V N 0.066 120.240 119.914 0.433 0.000 2.307 286 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 286 V C 1.974 178.463 176.094 0.659 0.000 1.045 286 V CA 1.555 64.189 62.300 0.556 0.000 1.024 286 V CB -0.654 31.387 31.823 0.362 0.000 0.651 286 V HN 0.302 nan 8.190 nan 0.000 0.449 287 Y N -0.172 120.310 120.300 0.304 0.000 2.181 287 Y HA -0.256 4.294 4.550 -0.000 0.000 0.288 287 Y C 2.527 178.565 175.900 0.230 0.000 1.146 287 Y CA 1.369 59.606 58.100 0.228 0.000 1.164 287 Y CB -1.312 37.249 38.460 0.169 0.000 0.982 287 Y HN 0.474 nan 8.280 nan 0.000 0.515 288 Y N -0.507 120.034 120.300 0.402 0.000 2.128 288 Y HA -0.325 4.225 4.550 -0.000 0.000 0.284 288 Y C 2.292 178.392 175.900 0.334 0.000 1.154 288 Y CA 1.737 60.043 58.100 0.342 0.000 1.149 288 Y CB -1.234 37.468 38.460 0.403 0.000 0.976 288 Y HN 0.052 nan 8.280 nan 0.000 0.505 289 F N 1.065 120.816 119.950 -0.331 0.000 2.259 289 F HA 0.118 4.645 4.527 -0.000 0.000 0.298 289 F C 2.354 178.012 175.800 -0.237 0.000 1.088 289 F CA 1.422 59.101 58.000 -0.535 0.000 1.358 289 F CB -0.795 38.065 39.000 -0.234 0.000 1.040 289 F HN 0.115 nan 8.300 nan 0.000 0.505 290 G N -0.765 107.999 108.800 -0.060 0.000 2.418 290 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 290 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 290 G C 1.647 176.473 174.900 -0.123 0.000 1.158 290 G CA 1.367 46.463 45.100 -0.006 0.000 0.771 290 G HN 0.371 nan 8.290 nan 0.000 0.545 291 T N -0.232 114.262 114.554 -0.100 0.000 2.777 291 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 291 T C 1.999 176.670 174.700 -0.049 0.000 1.040 291 T CA 1.222 63.258 62.100 -0.106 0.000 1.141 291 T CB -0.313 68.468 68.868 -0.145 0.000 0.868 291 T HN 0.302 nan 8.240 nan 0.000 0.444 292 Y N 0.772 120.962 120.300 -0.182 0.000 2.181 292 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 292 Y C 2.255 177.928 175.900 -0.379 0.000 1.146 292 Y CA 0.767 58.761 58.100 -0.178 0.000 1.164 292 Y CB -0.710 37.481 38.460 -0.447 0.000 0.982 292 Y HN 0.273 nan 8.280 nan 0.000 0.515 293 Y N 0.344 120.095 120.300 -0.916 0.000 2.081 293 Y HA -0.318 4.232 4.550 0.000 0.000 0.280 293 Y C 2.514 178.128 175.900 -0.478 0.000 1.163 293 Y CA 2.127 59.707 58.100 -0.866 0.000 1.135 293 Y CB -1.007 36.827 38.460 -1.042 0.000 0.970 293 Y HN 0.154 nan 8.280 nan 0.000 0.498 294 A N -0.819 121.805 122.820 -0.327 0.000 1.892 294 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 294 A C 2.529 179.957 177.584 -0.260 0.000 1.188 294 A CA 2.401 54.290 52.037 -0.247 0.000 0.631 294 A CB -1.605 17.342 19.000 -0.089 0.000 0.822 294 A HN 0.550 nan 8.150 nan 0.000 0.447 295 S N -0.863 114.697 115.700 -0.233 0.000 2.382 295 S HA -0.243 4.227 4.470 -0.000 0.000 0.228 295 S C 2.144 176.562 174.600 -0.304 0.000 1.027 295 S CA 1.757 59.852 58.200 -0.175 0.000 0.991 295 S CB -0.421 62.752 63.200 -0.046 0.000 0.823 295 S HN 0.681 nan 8.310 nan 0.000 0.469 296 Q N 0.162 119.635 119.800 -0.544 0.000 2.124 296 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 296 Q C 2.280 178.099 176.000 -0.302 0.000 0.977 296 Q CA 1.540 57.062 55.803 -0.470 0.000 0.850 296 Q CB -0.289 28.084 28.738 -0.607 0.000 0.901 296 Q HN 0.540 nan 8.270 nan 0.000 0.429 297 L N 0.010 121.003 121.223 -0.383 0.000 2.056 297 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 297 L C 2.275 179.077 176.870 -0.112 0.000 1.078 297 L CA 0.890 55.573 54.840 -0.260 0.000 0.749 297 L CB -0.354 41.506 42.059 -0.332 0.000 0.901 297 L HN 0.222 nan 8.230 nan 0.000 0.433 298 I N 0.077 120.600 120.570 -0.079 0.000 2.202 298 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 298 I C 2.771 178.963 176.117 0.125 0.000 1.091 298 I CA 1.210 62.542 61.300 0.052 0.000 1.368 298 I CB -0.443 37.629 38.000 0.120 0.000 1.058 298 I HN 0.164 nan 8.210 nan 0.000 0.410 299 A N 0.922 123.806 122.820 0.106 0.000 2.015 299 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 299 A C 1.622 179.206 177.584 0.002 0.000 1.163 299 A CA 0.788 52.908 52.037 0.137 0.000 0.646 299 A CB -0.755 18.301 19.000 0.093 0.000 0.806 299 A HN 0.349 nan 8.150 nan 0.000 0.448 300 A N 1.594 124.416 122.820 0.002 0.000 2.545 300 A HA 0.437 4.757 4.320 -0.000 0.000 0.253 300 A C -2.040 175.482 177.584 -0.104 0.000 1.074 300 A CA -0.868 51.136 52.037 -0.055 0.000 0.760 300 A CB -0.394 18.662 19.000 0.094 0.000 1.005 300 A HN 0.351 nan 8.150 nan 0.000 0.506 301 P HA 0.123 nan 4.420 nan 0.000 0.272 301 P C 0.792 178.092 177.300 -0.001 0.000 1.240 301 P CA -0.220 62.815 63.100 -0.109 0.000 0.791 301 P CB 0.641 32.237 31.700 -0.172 0.000 0.978 302 S N 0.509 116.194 115.700 -0.024 0.000 2.423 302 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 302 S C 1.612 176.164 174.600 -0.080 0.000 1.014 302 S CA 1.240 59.421 58.200 -0.031 0.000 0.965 302 S CB -0.855 62.320 63.200 -0.043 0.000 0.785 302 S HN 0.653 nan 8.310 nan 0.000 0.495 303 N N 0.928 119.582 118.700 -0.077 0.000 2.188 303 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 303 N C 1.330 176.756 175.510 -0.139 0.000 1.018 303 N CA 1.472 54.462 53.050 -0.099 0.000 0.858 303 N CB -0.826 37.584 38.487 -0.129 0.000 0.989 303 N HN 0.474 nan 8.380 nan 0.000 0.426 304 Y N 0.492 120.756 120.300 -0.060 0.000 2.206 304 Y HA 0.091 4.641 4.550 -0.000 0.000 0.292 304 Y C 1.308 177.178 175.900 -0.050 0.000 1.123 304 Y CA 0.679 58.776 58.100 -0.006 0.000 1.142 304 Y CB -0.168 38.349 38.460 0.096 0.000 1.006 304 Y HN 0.168 nan 8.280 nan 0.000 0.518 305 C N 3.027 122.382 119.300 0.092 0.000 2.146 305 C HA 0.463 4.923 4.460 -0.000 0.000 0.338 305 C C -0.283 174.645 174.990 -0.103 0.000 1.074 305 C CA -0.982 58.037 59.018 0.002 0.000 1.527 305 C CB -2.616 25.137 27.740 0.021 0.000 1.915 305 C HN 0.528 nan 8.230 nan 0.000 0.453 306 N N 4.190 122.753 118.700 -0.228 0.000 2.653 306 N HA 0.663 5.403 4.740 -0.000 0.000 0.294 306 N C -2.514 172.836 175.510 -0.266 0.000 1.305 306 N CA -1.809 50.980 53.050 -0.435 0.000 0.827 306 N CB 0.596 38.369 38.487 -1.190 0.000 1.415 306 N HN 0.036 nan 8.380 nan 0.000 0.546 307 P HA -0.089 nan 4.420 nan 0.000 0.218 307 P C 1.010 178.307 177.300 -0.006 0.000 1.149 307 P CA 0.762 63.843 63.100 -0.033 0.000 0.817 307 P CB 0.215 31.954 31.700 0.064 0.000 0.785 308 V N 0.149 120.048 119.914 -0.025 0.000 2.302 308 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 308 V C 2.493 178.591 176.094 0.007 0.000 1.036 308 V CA 2.423 64.742 62.300 0.032 0.000 1.020 308 V CB -1.625 30.253 31.823 0.092 0.000 0.657 308 V HN 0.242 nan 8.190 nan 0.000 0.453 309 S N 0.333 116.010 115.700 -0.038 0.000 2.428 309 S HA -0.117 4.353 4.470 -0.000 0.000 0.230 309 S C 1.926 176.525 174.600 -0.001 0.000 1.014 309 S CA 1.285 59.480 58.200 -0.009 0.000 0.957 309 S CB -0.470 62.722 63.200 -0.013 0.000 0.784 309 S HN 0.363 nan 8.310 nan 0.000 0.499 310 L N 3.111 124.322 121.223 -0.020 0.000 2.027 310 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 310 L C 2.651 179.530 176.870 0.015 0.000 1.074 310 L CA 2.214 57.049 54.840 -0.008 0.000 0.745 310 L CB -1.267 40.778 42.059 -0.023 0.000 0.898 310 L HN 0.543 nan 8.230 nan 0.000 0.433 311 S N -0.697 115.017 115.700 0.024 0.000 2.368 311 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 311 S C 1.865 176.480 174.600 0.025 0.000 1.030 311 S CA 1.217 59.441 58.200 0.041 0.000 0.999 311 S CB -0.902 62.340 63.200 0.071 0.000 0.844 311 S HN 0.550 nan 8.310 nan 0.000 0.459 312 N N 2.930 121.645 118.700 0.024 0.000 2.104 312 N HA 0.011 4.751 4.740 -0.000 0.000 0.190 312 N C 2.008 177.525 175.510 0.011 0.000 1.024 312 N CA 1.616 54.673 53.050 0.011 0.000 0.853 312 N CB -1.102 37.401 38.487 0.027 0.000 1.008 312 N HN 0.638 nan 8.380 nan 0.000 0.424 313 A N 0.804 123.648 122.820 0.041 0.000 1.940 313 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 313 A C 2.332 179.977 177.584 0.102 0.000 1.176 313 A CA 1.990 54.081 52.037 0.089 0.000 0.631 313 A CB -0.759 18.291 19.000 0.083 0.000 0.814 313 A HN 0.338 nan 8.150 nan 0.000 0.446 314 A N -0.746 122.109 122.820 0.059 0.000 1.929 314 A HA 0.098 4.418 4.320 -0.000 0.000 0.216 314 A C 2.200 179.741 177.584 -0.071 0.000 1.176 314 A CA 1.469 53.534 52.037 0.046 0.000 0.628 314 A CB -0.786 18.247 19.000 0.053 0.000 0.816 314 A HN 0.336 nan 8.150 nan 0.000 0.444 315 V N 0.276 120.085 119.914 -0.175 0.000 2.255 315 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 315 V C 2.585 178.473 176.094 -0.344 0.000 1.051 315 V CA 2.482 64.489 62.300 -0.489 0.000 1.018 315 V CB -0.693 30.858 31.823 -0.452 0.000 0.641 315 V HN 0.828 nan 8.190 nan 0.000 0.445 316 E N -0.249 119.871 120.200 -0.135 0.000 2.077 316 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 316 E C 2.189 178.767 176.600 -0.036 0.000 0.989 316 E CA 1.544 57.911 56.400 -0.055 0.000 0.800 316 E CB -0.168 29.556 29.700 0.040 0.000 0.746 316 E HN 0.439 nan 8.360 nan 0.000 0.452 317 L N 1.047 122.281 121.223 0.019 0.000 2.012 317 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 317 L C 2.367 179.216 176.870 -0.035 0.000 1.073 317 L CA 2.306 57.152 54.840 0.010 0.000 0.748 317 L CB -0.850 41.220 42.059 0.018 0.000 0.891 317 L HN 0.212 nan 8.230 nan 0.000 0.431 318 A N -1.106 121.682 122.820 -0.053 0.000 1.908 318 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 318 A C 2.190 179.793 177.584 0.032 0.000 1.181 318 A CA 2.067 54.103 52.037 -0.001 0.000 0.627 318 A CB -0.692 18.336 19.000 0.046 0.000 0.818 318 A HN 0.682 nan 8.150 nan 0.000 0.445 319 Q N -0.604 119.184 119.800 -0.020 0.000 2.170 319 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 319 Q C 1.956 177.950 176.000 -0.009 0.000 0.976 319 Q CA 1.713 57.530 55.803 0.025 0.000 0.858 319 Q CB -0.153 28.585 28.738 0.001 0.000 0.907 319 Q HN 0.656 nan 8.270 nan 0.000 0.433 320 K N -0.007 120.362 120.400 -0.052 0.000 2.305 320 K HA 0.017 4.337 4.320 -0.000 0.000 0.199 320 K C 1.472 178.044 176.600 -0.046 0.000 1.047 320 K CA 0.580 56.816 56.287 -0.084 0.000 0.976 320 K CB 0.319 32.715 32.500 -0.174 0.000 0.765 320 K HN 0.165 nan 8.250 nan 0.000 0.474 321 L N 0.534 121.746 121.223 -0.018 0.000 2.640 321 L HA 0.114 4.454 4.340 -0.000 0.000 0.230 321 L C -0.204 176.683 176.870 0.027 0.000 1.123 321 L CA -0.206 54.630 54.840 -0.006 0.000 0.900 321 L CB -0.029 42.016 42.059 -0.023 0.000 1.146 321 L HN 0.175 nan 8.230 nan 0.000 0.484 322 N N 0.986 119.709 118.700 0.038 0.000 2.735 322 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 322 N C -0.272 175.287 175.510 0.081 0.000 1.083 322 N CA 0.800 53.884 53.050 0.056 0.000 0.703 322 N CB -1.389 37.119 38.487 0.035 0.000 1.005 322 N HN 0.285 nan 8.380 nan 0.000 0.550 323 L N 0.483 121.771 121.223 0.108 0.000 2.439 323 L HA 0.221 4.561 4.340 -0.000 0.000 0.261 323 L C 1.205 178.172 176.870 0.162 0.000 1.153 323 L CA -0.412 54.513 54.840 0.141 0.000 0.808 323 L CB 0.552 42.695 42.059 0.140 0.000 1.126 323 L HN 0.042 nan 8.230 nan 0.000 0.460 324 E N 0.730 121.005 120.200 0.125 0.000 2.373 324 E HA 0.308 4.658 4.350 -0.000 0.000 0.263 324 E C -1.480 175.225 176.600 0.174 0.000 1.073 324 E CA -0.134 56.311 56.400 0.076 0.000 0.894 324 E CB 0.963 30.664 29.700 0.002 0.000 1.008 324 E HN 0.417 nan 8.360 nan 0.000 0.420 325 Y N -0.984 119.336 120.300 0.033 0.000 2.581 325 Y HA 0.596 5.146 4.550 0.000 0.000 0.337 325 Y C -1.283 174.640 175.900 0.038 0.000 1.108 325 Y CA -1.281 56.852 58.100 0.055 0.000 1.033 325 Y CB 1.530 40.037 38.460 0.078 0.000 1.318 325 Y HN 0.306 nan 8.280 nan 0.000 0.459 326 K N 3.632 124.159 120.400 0.211 0.000 2.513 326 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 326 K C -2.049 174.743 176.600 0.320 0.000 0.939 326 K CA -0.752 55.638 56.287 0.173 0.000 0.793 326 K CB 1.621 34.168 32.500 0.079 0.000 1.241 326 K HN 0.767 nan 8.250 nan 0.000 0.431 327 I N 5.289 126.041 120.570 0.303 0.000 2.330 327 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 327 I C -0.545 175.709 176.117 0.228 0.000 1.001 327 I CA -0.955 60.512 61.300 0.278 0.000 1.193 327 I CB 0.959 39.102 38.000 0.238 0.000 1.345 327 I HN 0.491 nan 8.210 nan 0.000 0.461 328 L N 6.123 127.497 121.223 0.251 0.000 2.276 328 L HA 0.612 4.952 4.340 -0.000 0.000 0.286 328 L C 0.937 177.914 176.870 0.178 0.000 1.061 328 L CA 0.203 55.148 54.840 0.175 0.000 0.807 328 L CB 1.086 43.197 42.059 0.087 0.000 1.177 328 L HN 0.688 nan 8.230 nan 0.000 0.429 329 G N 1.880 110.754 108.800 0.123 0.000 2.557 329 G HA2 0.459 4.419 3.960 -0.000 0.000 0.302 329 G HA3 0.459 4.419 3.960 -0.000 0.000 0.302 329 G C 0.898 175.837 174.900 0.065 0.000 1.311 329 G CA -0.610 44.550 45.100 0.099 0.000 1.030 329 G HN 0.354 nan 8.290 nan 0.000 0.509 330 V N 0.116 120.051 119.914 0.035 0.000 2.332 330 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 330 V C 2.845 178.944 176.094 0.008 0.000 1.055 330 V CA 2.472 64.772 62.300 -0.000 0.000 1.038 330 V CB -0.552 31.262 31.823 -0.015 0.000 0.651 330 V HN 0.805 nan 8.190 nan 0.000 0.450 331 K N 0.071 120.482 120.400 0.019 0.000 2.057 331 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 331 K C 2.246 178.860 176.600 0.022 0.000 1.049 331 K CA 2.053 58.351 56.287 0.018 0.000 0.931 331 K CB -0.150 32.363 32.500 0.021 0.000 0.714 331 K HN 0.598 nan 8.250 nan 0.000 0.440 332 E N 0.390 120.610 120.200 0.032 0.000 2.150 332 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 332 E C 1.925 178.541 176.600 0.026 0.000 0.985 332 E CA 0.737 57.157 56.400 0.033 0.000 0.814 332 E CB 0.010 29.737 29.700 0.045 0.000 0.752 332 E HN 0.320 nan 8.360 nan 0.000 0.466 333 L N 0.611 121.851 121.223 0.028 0.000 2.093 333 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 333 L C 2.338 179.220 176.870 0.020 0.000 1.085 333 L CA 1.296 56.153 54.840 0.028 0.000 0.755 333 L CB -0.313 41.766 42.059 0.033 0.000 0.904 333 L HN 0.153 nan 8.230 nan 0.000 0.435 334 E N -0.075 120.131 120.200 0.009 0.000 2.072 334 E HA -0.257 4.093 4.350 -0.000 0.000 0.191 334 E C 2.042 178.651 176.600 0.016 0.000 0.985 334 E CA 1.079 57.484 56.400 0.009 0.000 0.801 334 E CB 0.021 29.723 29.700 0.003 0.000 0.750 334 E HN 0.333 nan 8.360 nan 0.000 0.452 335 E N 0.896 121.107 120.200 0.018 0.000 2.110 335 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 335 E C 1.704 178.317 176.600 0.022 0.000 0.988 335 E CA 0.742 57.153 56.400 0.019 0.000 0.804 335 E CB 0.010 29.721 29.700 0.019 0.000 0.745 335 E HN 0.187 nan 8.360 nan 0.000 0.458 336 L N 0.236 121.475 121.223 0.026 0.000 2.552 336 L HA 0.056 4.396 4.340 -0.000 0.000 0.227 336 L C 0.425 177.318 176.870 0.038 0.000 1.146 336 L CA 0.415 55.275 54.840 0.032 0.000 0.858 336 L CB -0.225 41.855 42.059 0.036 0.000 0.969 336 L HN 0.104 nan 8.230 nan 0.000 0.451 337 K N -0.472 119.950 120.400 0.036 0.000 3.129 337 K HA -0.199 4.121 4.320 -0.000 0.000 0.273 337 K C 0.126 176.761 176.600 0.058 0.000 1.123 337 K CA 0.562 56.874 56.287 0.041 0.000 0.800 337 K CB -1.656 30.867 32.500 0.038 0.000 1.238 337 K HN 0.348 nan 8.250 nan 0.000 0.492 338 M N 0.650 120.291 119.600 0.070 0.000 3.709 338 M HA 0.011 4.491 4.480 -0.000 0.000 0.197 338 M C 1.656 178.011 176.300 0.092 0.000 1.511 338 M CA 0.569 55.936 55.300 0.111 0.000 1.688 338 M CB -0.019 32.695 32.600 0.189 0.000 1.109 338 M HN 0.376 nan 8.290 nan 0.000 0.561 339 G N 0.203 109.043 108.800 0.068 0.000 2.484 339 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 339 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 339 G C 1.472 176.398 174.900 0.042 0.000 1.130 339 G CA 0.907 46.033 45.100 0.043 0.000 0.784 339 G HN 0.647 nan 8.290 nan 0.000 0.543 340 A N 0.452 123.315 122.820 0.071 0.000 1.854 340 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 340 A C 2.182 179.795 177.584 0.050 0.000 1.192 340 A CA 1.607 53.679 52.037 0.060 0.000 0.611 340 A CB -0.784 18.249 19.000 0.054 0.000 0.832 340 A HN 0.398 nan 8.150 nan 0.000 0.442 341 Y N 0.680 120.954 120.300 -0.043 0.000 2.128 341 Y HA -0.163 4.387 4.550 -0.000 0.000 0.284 341 Y C 1.922 177.783 175.900 -0.065 0.000 1.154 341 Y CA 1.685 59.761 58.100 -0.041 0.000 1.149 341 Y CB -0.696 37.782 38.460 0.029 0.000 0.976 341 Y HN 0.196 nan 8.280 nan 0.000 0.505 342 L N -0.739 120.371 121.223 -0.188 0.000 2.083 342 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 342 L C 2.567 179.300 176.870 -0.228 0.000 1.083 342 L CA 1.556 56.220 54.840 -0.294 0.000 0.752 342 L CB -0.679 41.277 42.059 -0.173 0.000 0.899 342 L HN 0.153 nan 8.230 nan 0.000 0.433 343 S N -0.630 114.951 115.700 -0.198 0.000 2.370 343 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 343 S C 2.026 176.265 174.600 -0.601 0.000 1.033 343 S CA 1.338 59.369 58.200 -0.281 0.000 1.011 343 S CB -0.263 62.815 63.200 -0.204 0.000 0.852 343 S HN 0.181 nan 8.310 nan 0.000 0.457 344 V N 1.537 121.057 119.914 -0.658 0.000 2.287 344 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 344 V C 2.528 178.449 176.094 -0.289 0.000 1.053 344 V CA 2.003 63.910 62.300 -0.656 0.000 1.027 344 V CB -1.391 30.261 31.823 -0.284 0.000 0.646 344 V HN 0.609 nan 8.190 nan 0.000 0.447 345 G N -0.863 107.810 108.800 -0.212 0.000 2.679 345 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.212 345 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.212 345 G C 1.547 176.403 174.900 -0.073 0.000 1.137 345 G CA 0.306 45.334 45.100 -0.120 0.000 0.787 345 G HN 0.492 nan 8.290 nan 0.000 0.534 346 K N 0.149 120.501 120.400 -0.080 0.000 2.097 346 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 346 K C 2.516 179.129 176.600 0.022 0.000 1.049 346 K CA 0.949 57.221 56.287 -0.024 0.000 0.933 346 K CB -0.193 32.309 32.500 0.005 0.000 0.717 346 K HN 0.233 nan 8.250 nan 0.000 0.442 347 G N 0.637 109.474 108.800 0.061 0.000 2.776 347 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.209 347 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.209 347 G C 0.300 175.225 174.900 0.041 0.000 1.145 347 G CA -0.052 45.092 45.100 0.073 0.000 0.791 347 G HN 0.167 nan 8.290 nan 0.000 0.530 348 S N -0.265 115.455 115.700 0.033 0.000 2.617 348 S HA 0.406 4.876 4.470 -0.000 0.000 0.283 348 S C 1.590 176.159 174.600 -0.051 0.000 1.189 348 S CA -0.616 57.605 58.200 0.035 0.000 1.036 348 S CB 0.951 64.219 63.200 0.113 0.000 1.014 348 S HN 0.275 nan 8.310 nan 0.000 0.522 349 M N 2.260 121.749 119.600 -0.185 0.000 2.558 349 M HA 0.242 4.722 4.480 -0.000 0.000 0.255 349 M C -0.964 175.092 176.300 -0.407 0.000 1.113 349 M CA 0.466 55.567 55.300 -0.331 0.000 1.097 349 M CB -0.377 31.944 32.600 -0.465 0.000 1.426 349 M HN 0.509 nan 8.290 nan 0.000 0.488 350 Y N 2.551 122.853 120.300 0.003 0.000 2.341 350 Y HA 0.526 5.076 4.550 -0.000 0.000 0.340 350 Y C -2.230 173.671 175.900 0.001 0.000 0.997 350 Y CA -2.889 55.215 58.100 0.007 0.000 1.149 350 Y CB 0.143 38.613 38.460 0.017 0.000 1.171 350 Y HN 0.032 nan 8.280 nan 0.000 0.494 351 P HA 0.008 nan 4.420 nan 0.000 0.269 351 P C -0.632 176.711 177.300 0.071 0.000 1.209 351 P CA -0.228 62.910 63.100 0.062 0.000 0.776 351 P CB 0.688 32.421 31.700 0.055 0.000 0.876 352 N N 2.203 120.900 118.700 -0.005 0.000 2.454 352 N HA 0.095 4.835 4.740 -0.000 0.000 0.254 352 N C 0.034 175.603 175.510 0.099 0.000 1.228 352 N CA 0.564 53.601 53.050 -0.023 0.000 0.900 352 N CB 0.131 38.413 38.487 -0.342 0.000 1.089 352 N HN 0.190 nan 8.380 nan 0.000 0.449 353 K N 1.774 122.302 120.400 0.214 0.000 2.507 353 K HA 0.297 4.617 4.320 -0.000 0.000 0.251 353 K C -1.308 175.496 176.600 0.341 0.000 0.943 353 K CA -0.540 55.891 56.287 0.240 0.000 0.794 353 K CB 1.715 34.312 32.500 0.161 0.000 1.188 353 K HN 0.404 nan 8.250 nan 0.000 0.428 354 F N 4.027 124.091 119.950 0.190 0.000 2.385 354 F HA 0.447 4.974 4.527 -0.000 0.000 0.360 354 F C -0.064 175.776 175.800 0.066 0.000 1.122 354 F CA -0.999 57.052 58.000 0.084 0.000 1.090 354 F CB 0.545 39.558 39.000 0.022 0.000 1.150 354 F HN 0.400 nan 8.300 nan 0.000 0.472 355 I N 6.230 126.801 120.570 0.002 0.000 2.395 355 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 355 I C -0.470 175.813 176.117 0.276 0.000 1.023 355 I CA -0.207 61.179 61.300 0.143 0.000 1.350 355 I CB 0.826 38.852 38.000 0.043 0.000 1.409 355 I HN 0.603 nan 8.210 nan 0.000 0.507 356 H N 6.881 126.142 119.070 0.319 0.000 3.092 356 H HA 0.416 4.972 4.556 -0.000 0.000 0.308 356 H C -1.618 173.944 175.328 0.389 0.000 1.047 356 H CA -0.960 55.328 56.048 0.400 0.000 1.466 356 H CB 0.975 31.032 29.762 0.492 0.000 1.597 356 H HN 0.345 nan 8.280 nan 0.000 0.512 357 L N 3.806 125.414 121.223 0.642 0.000 2.331 357 L HA 0.441 4.781 4.340 -0.000 0.000 0.275 357 L C 0.076 177.327 176.870 0.635 0.000 1.022 357 L CA -0.348 54.794 54.840 0.505 0.000 0.812 357 L CB 1.934 44.215 42.059 0.370 0.000 1.257 357 L HN 0.646 nan 8.230 nan 0.000 0.435 358 T N 1.758 116.556 114.554 0.407 0.000 2.879 358 T HA 0.339 4.689 4.350 -0.000 0.000 0.290 358 T C -1.285 173.587 174.700 0.287 0.000 0.993 358 T CA -0.364 61.914 62.100 0.297 0.000 0.975 358 T CB 0.953 69.884 68.868 0.104 0.000 0.981 358 T HN 0.300 nan 8.240 nan 0.000 0.439 359 Y N 3.283 123.723 120.300 0.233 0.000 2.328 359 Y HA 0.505 5.055 4.550 -0.000 0.000 0.337 359 Y C -0.219 175.706 175.900 0.041 0.000 1.008 359 Y CA -0.769 57.431 58.100 0.168 0.000 1.129 359 Y CB 0.730 39.370 38.460 0.298 0.000 1.185 359 Y HN 0.452 nan 8.280 nan 0.000 0.476 360 K N 2.670 122.671 120.400 -0.666 0.000 2.345 360 K HA 0.651 4.971 4.320 -0.000 0.000 0.255 360 K C -0.588 175.564 176.600 -0.747 0.000 0.934 360 K CA -0.854 55.121 56.287 -0.519 0.000 0.801 360 K CB 0.988 33.341 32.500 -0.244 0.000 1.137 360 K HN 0.725 nan 8.250 nan 0.000 0.424 361 S N 1.317 116.755 115.700 -0.438 0.000 2.572 361 S HA 0.316 4.786 4.470 -0.000 0.000 0.279 361 S C 1.849 176.362 174.600 -0.144 0.000 1.341 361 S CA 0.089 58.164 58.200 -0.208 0.000 1.043 361 S CB 0.962 64.168 63.200 0.009 0.000 0.887 361 S HN 0.895 nan 8.310 nan 0.000 0.516 362 K N 2.080 122.427 120.400 -0.088 0.000 2.217 362 K HA 0.160 4.480 4.320 -0.000 0.000 0.202 362 K C 1.105 177.683 176.600 -0.037 0.000 1.051 362 K CA 1.062 57.312 56.287 -0.061 0.000 0.952 362 K CB -0.912 31.566 32.500 -0.037 0.000 0.736 362 K HN 0.783 nan 8.250 nan 0.000 0.453 363 G N -0.047 108.740 108.800 -0.021 0.000 2.563 363 G HA2 0.386 4.346 3.960 -0.000 0.000 0.283 363 G HA3 0.386 4.346 3.960 -0.000 0.000 0.283 363 G C -0.002 174.890 174.900 -0.014 0.000 1.309 363 G CA 0.116 45.209 45.100 -0.011 0.000 1.022 363 G HN 0.672 nan 8.290 nan 0.000 0.501 364 D N -1.417 118.977 120.400 -0.009 0.000 2.493 364 D HA 0.371 5.011 4.640 -0.000 0.000 0.240 364 D C 0.295 176.592 176.300 -0.005 0.000 1.142 364 D CA -0.136 53.859 54.000 -0.009 0.000 0.872 364 D CB 0.822 41.618 40.800 -0.007 0.000 1.173 364 D HN 0.341 nan 8.370 nan 0.000 0.467 365 V N 2.589 122.499 119.914 -0.007 0.000 2.455 365 V HA 0.253 4.373 4.120 -0.000 0.000 0.273 365 V C 1.177 177.270 176.094 -0.002 0.000 1.045 365 V CA -0.005 62.294 62.300 -0.002 0.000 0.976 365 V CB 1.180 33.002 31.823 -0.002 0.000 0.993 365 V HN 0.747 nan 8.190 nan 0.000 0.475 366 K N 3.112 123.513 120.400 0.001 0.000 2.358 366 K HA 0.311 4.631 4.320 -0.000 0.000 0.200 366 K C 0.272 176.864 176.600 -0.013 0.000 1.030 366 K CA 0.086 56.369 56.287 -0.006 0.000 1.097 366 K CB 0.589 33.088 32.500 -0.003 0.000 0.862 366 K HN 0.484 nan 8.250 nan 0.000 0.534 367 K N 1.082 121.479 120.400 -0.006 0.000 2.561 367 K HA 0.237 4.557 4.320 -0.000 0.000 0.254 367 K C -1.737 174.868 176.600 0.009 0.000 0.942 367 K CA -0.556 55.721 56.287 -0.016 0.000 0.818 367 K CB 1.423 33.923 32.500 0.001 0.000 1.306 367 K HN -0.195 nan 8.250 nan 0.000 0.435 368 K N 4.353 124.754 120.400 0.003 0.000 2.323 368 K HA 0.530 4.850 4.320 -0.000 0.000 0.259 368 K C -0.695 175.965 176.600 0.100 0.000 0.947 368 K CA -0.658 55.668 56.287 0.065 0.000 0.819 368 K CB 1.619 34.167 32.500 0.081 0.000 1.109 368 K HN 0.400 nan 8.250 nan 0.000 0.429 369 I N 1.699 122.361 120.570 0.153 0.000 2.545 369 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 369 I C -0.700 175.532 176.117 0.192 0.000 1.040 369 I CA -0.950 60.476 61.300 0.209 0.000 1.068 369 I CB 2.165 40.291 38.000 0.210 0.000 1.251 369 I HN 0.640 nan 8.210 nan 0.000 0.424 370 A N 7.382 130.320 122.820 0.196 0.000 2.303 370 A HA 0.803 5.123 4.320 -0.000 0.000 0.320 370 A C -0.861 176.795 177.584 0.119 0.000 1.192 370 A CA -0.465 51.662 52.037 0.149 0.000 0.821 370 A CB 0.629 19.709 19.000 0.133 0.000 1.188 370 A HN 0.664 nan 8.150 nan 0.000 0.492 371 L N 3.237 124.481 121.223 0.035 0.000 2.287 371 L HA 0.561 4.901 4.340 -0.000 0.000 0.287 371 L C -0.879 176.045 176.870 0.090 0.000 1.022 371 L CA -0.808 54.065 54.840 0.054 0.000 0.814 371 L CB 1.580 43.644 42.059 0.009 0.000 1.217 371 L HN 0.404 nan 8.230 nan 0.000 0.420 372 V N 2.074 122.046 119.914 0.098 0.000 2.444 372 V HA 0.676 4.796 4.120 -0.000 0.000 0.294 372 V C 0.381 176.506 176.094 0.053 0.000 1.022 372 V CA -0.498 61.844 62.300 0.070 0.000 0.850 372 V CB 1.666 33.549 31.823 0.100 0.000 0.992 372 V HN 0.865 nan 8.190 nan 0.000 0.426 373 G N 2.793 111.595 108.800 0.004 0.000 2.452 373 G HA2 0.554 4.514 3.960 -0.000 0.000 0.324 373 G HA3 0.554 4.514 3.960 -0.000 0.000 0.324 373 G C -0.789 174.081 174.900 -0.051 0.000 1.214 373 G CA -0.784 44.316 45.100 0.001 0.000 0.947 373 G HN 0.686 nan 8.290 nan 0.000 0.478 374 K N 0.761 121.141 120.400 -0.032 0.000 2.368 374 K HA 0.430 4.750 4.320 -0.000 0.000 0.282 374 K C 0.588 177.142 176.600 -0.077 0.000 1.035 374 K CA -0.067 56.186 56.287 -0.056 0.000 0.973 374 K CB 0.595 33.074 32.500 -0.035 0.000 0.957 374 K HN 0.475 nan 8.250 nan 0.000 0.474 375 G N 6.025 114.774 108.800 -0.085 0.000 4.956 375 G HA2 0.259 4.219 3.960 -0.000 0.000 0.290 375 G HA3 0.259 4.219 3.960 -0.000 0.000 0.290 375 G C -0.541 174.341 174.900 -0.031 0.000 1.352 375 G CA -0.459 44.600 45.100 -0.069 0.000 0.983 375 G HN 0.475 nan 8.290 nan 0.000 0.581 376 I N 2.724 123.274 120.570 -0.033 0.000 2.301 376 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 376 I C 1.689 177.811 176.117 0.009 0.000 1.046 376 I CA -0.175 61.123 61.300 -0.003 0.000 1.282 376 I CB 0.678 38.666 38.000 -0.019 0.000 1.409 376 I HN 0.286 nan 8.210 nan 0.000 0.484 377 T N 2.729 117.310 114.554 0.044 0.000 3.067 377 T HA 0.052 4.402 4.350 -0.000 0.000 0.261 377 T C 0.195 175.000 174.700 0.175 0.000 1.110 377 T CA 0.487 62.623 62.100 0.061 0.000 1.113 377 T CB 0.052 68.928 68.868 0.014 0.000 0.917 377 T HN 0.311 nan 8.240 nan 0.000 0.499 378 F N 1.123 121.079 119.950 0.010 0.000 2.604 378 F HA 0.506 5.033 4.527 0.000 0.000 0.316 378 F C -2.277 173.544 175.800 0.036 0.000 1.136 378 F CA -1.752 56.262 58.000 0.022 0.000 0.989 378 F CB 2.068 41.080 39.000 0.020 0.000 1.258 378 F HN -0.122 nan 8.300 nan 0.000 0.451 379 D N 2.653 122.540 120.400 -0.855 0.000 2.464 379 D HA 0.228 4.868 4.640 -0.000 0.000 0.243 379 D C 0.590 176.433 176.300 -0.761 0.000 1.104 379 D CA 0.136 53.805 54.000 -0.553 0.000 0.883 379 D CB 1.316 41.959 40.800 -0.263 0.000 1.050 379 D HN 0.460 nan 8.370 nan 0.000 0.524 380 S N 2.070 117.506 115.700 -0.441 0.000 2.489 380 S HA 0.185 4.654 4.470 -0.000 0.000 0.228 380 S C 1.745 176.286 174.600 -0.099 0.000 0.995 380 S CA 0.682 58.784 58.200 -0.164 0.000 0.934 380 S CB 0.064 63.345 63.200 0.135 0.000 0.771 380 S HN 0.760 nan 8.310 nan 0.000 0.522 381 G N 0.478 109.226 108.800 -0.087 0.000 2.232 381 G HA2 0.184 4.144 3.960 -0.000 0.000 0.226 381 G HA3 0.184 4.144 3.960 -0.000 0.000 0.226 381 G C 1.183 176.086 174.900 0.006 0.000 0.996 381 G CA 0.276 45.355 45.100 -0.035 0.000 0.626 381 G HN 1.810 nan 8.290 nan 0.000 0.509 382 G N -0.767 108.037 108.800 0.007 0.000 2.562 382 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.250 382 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.250 382 G C 0.493 175.353 174.900 -0.068 0.000 1.269 382 G CA 0.561 45.666 45.100 0.009 0.000 0.919 382 G HN 1.045 nan 8.290 nan 0.000 0.574 383 Y N 1.252 121.533 120.300 -0.031 0.000 2.333 383 Y HA -0.028 4.522 4.550 -0.000 0.000 0.290 383 Y C 2.406 178.276 175.900 -0.052 0.000 1.144 383 Y CA 1.881 59.954 58.100 -0.044 0.000 1.228 383 Y CB -0.211 38.205 38.460 -0.073 0.000 0.985 383 Y HN 0.425 nan 8.280 nan 0.000 0.542 384 N N 1.135 119.865 118.700 0.051 0.000 3.210 384 N HA 0.080 4.820 4.740 -0.000 0.000 0.314 384 N C -0.751 174.755 175.510 -0.007 0.000 1.291 384 N CA -0.199 52.855 53.050 0.008 0.000 1.202 384 N CB -0.320 38.155 38.487 -0.021 0.000 1.475 384 N HN 0.071 nan 8.380 nan 0.000 0.554 385 L N 0.961 122.178 121.223 -0.011 0.000 2.593 385 L HA -0.110 4.230 4.340 -0.000 0.000 0.287 385 L C 0.289 177.148 176.870 -0.017 0.000 1.243 385 L CA 0.509 55.335 54.840 -0.022 0.000 0.890 385 L CB 0.331 42.375 42.059 -0.025 0.000 1.134 385 L HN 0.276 nan 8.230 nan 0.000 0.502 386 K N 5.384 125.770 120.400 -0.022 0.000 2.021 386 K HA 0.158 4.478 4.320 -0.000 0.000 0.238 386 K C 0.520 177.115 176.600 -0.009 0.000 1.149 386 K CA 0.599 56.873 56.287 -0.021 0.000 1.105 386 K CB -0.082 32.395 32.500 -0.039 0.000 1.246 386 K HN 0.758 nan 8.250 nan 0.000 0.307 387 A N 1.613 124.428 122.820 -0.008 0.000 2.456 387 A HA 0.283 4.603 4.320 -0.000 0.000 0.237 387 A C 0.686 178.266 177.584 -0.006 0.000 1.217 387 A CA -0.132 51.902 52.037 -0.005 0.000 0.962 387 A CB 0.577 19.575 19.000 -0.004 0.000 1.079 387 A HN 0.555 nan 8.150 nan 0.000 0.536 388 A N 1.261 124.076 122.820 -0.009 0.000 2.371 388 A HA 0.587 4.907 4.320 -0.000 0.000 0.257 388 A C -2.534 175.045 177.584 -0.008 0.000 1.089 388 A CA -1.243 50.788 52.037 -0.009 0.000 0.794 388 A CB -0.475 18.517 19.000 -0.012 0.000 1.029 388 A HN 0.170 nan 8.150 nan 0.000 0.488 389 P HA 0.225 nan 4.420 nan 0.000 0.262 389 P C 1.043 178.341 177.300 -0.005 0.000 1.182 389 P CA 1.945 65.041 63.100 -0.007 0.000 0.761 389 P CB 0.524 32.220 31.700 -0.007 0.000 0.795 390 G N 2.538 111.334 108.800 -0.007 0.000 2.199 390 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 390 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 390 G C 1.235 176.134 174.900 -0.001 0.000 0.982 390 G CA 0.549 45.647 45.100 -0.003 0.000 0.632 390 G HN 0.601 nan 8.290 nan 0.000 0.529 391 S N 0.006 115.702 115.700 -0.006 0.000 2.474 391 S HA 0.199 4.669 4.470 -0.000 0.000 0.235 391 S C 1.515 176.100 174.600 -0.025 0.000 0.997 391 S CA 1.259 59.453 58.200 -0.008 0.000 0.949 391 S CB -0.427 62.766 63.200 -0.012 0.000 0.766 391 S HN 1.327 nan 8.310 nan 0.000 0.517 392 M N -0.016 119.562 119.600 -0.035 0.000 2.298 392 M HA -0.166 4.314 4.480 -0.000 0.000 0.196 392 M C 0.676 176.928 176.300 -0.079 0.000 0.531 392 M CA 0.352 55.614 55.300 -0.063 0.000 0.459 392 M CB -1.767 30.781 32.600 -0.087 0.000 1.279 392 M HN 0.532 nan 8.290 nan 0.000 0.915 393 I N 1.579 122.126 120.570 -0.039 0.000 2.454 393 I HA -0.252 3.918 4.170 -0.000 0.000 0.254 393 I C 2.145 178.287 176.117 0.041 0.000 1.156 393 I CA 2.387 63.678 61.300 -0.015 0.000 1.433 393 I CB -0.029 37.996 38.000 0.041 0.000 1.082 393 I HN 0.609 nan 8.210 nan 0.000 0.432 394 D N 0.661 121.061 120.400 0.001 0.000 2.350 394 D HA -0.225 4.415 4.640 -0.000 0.000 0.216 394 D C 1.921 178.146 176.300 -0.125 0.000 0.968 394 D CA 0.724 54.715 54.000 -0.015 0.000 0.894 394 D CB -0.311 40.461 40.800 -0.047 0.000 0.909 394 D HN 0.420 nan 8.370 nan 0.000 0.520 395 L N -0.477 120.604 121.223 -0.237 0.000 2.567 395 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 395 L C 1.771 178.449 176.870 -0.319 0.000 1.119 395 L CA 0.361 54.888 54.840 -0.522 0.000 0.871 395 L CB -0.109 41.502 42.059 -0.747 0.000 1.036 395 L HN -0.194 nan 8.230 nan 0.000 0.459 396 M N -0.053 119.499 119.600 -0.080 0.000 2.619 396 M HA -0.052 4.428 4.480 -0.000 0.000 0.251 396 M C 1.851 178.220 176.300 0.115 0.000 1.106 396 M CA 0.679 55.958 55.300 -0.035 0.000 1.086 396 M CB -0.843 31.494 32.600 -0.437 0.000 1.465 396 M HN 0.410 nan 8.290 nan 0.000 0.506 397 K N 0.739 121.304 120.400 0.274 0.000 2.286 397 K HA -0.189 4.131 4.320 -0.000 0.000 0.203 397 K C 1.532 178.254 176.600 0.202 0.000 1.045 397 K CA 1.475 57.910 56.287 0.246 0.000 0.935 397 K CB -1.078 31.499 32.500 0.128 0.000 0.737 397 K HN 0.494 nan 8.250 nan 0.000 0.460 398 F N 0.338 120.250 119.950 -0.062 0.000 2.811 398 F HA 0.190 4.717 4.527 0.000 0.000 0.301 398 F C 0.791 176.588 175.800 -0.006 0.000 1.151 398 F CA -0.469 57.520 58.000 -0.019 0.000 1.412 398 F CB 0.098 39.074 39.000 -0.040 0.000 1.113 398 F HN -0.131 nan 8.300 nan 0.000 0.579 399 D N 1.872 122.225 120.400 -0.077 0.000 2.352 399 D HA -0.027 4.613 4.640 -0.000 0.000 0.232 399 D C 1.312 177.504 176.300 -0.180 0.000 1.055 399 D CA 0.667 54.513 54.000 -0.256 0.000 0.891 399 D CB 0.020 40.761 40.800 -0.098 0.000 0.897 399 D HN 0.495 nan 8.370 nan 0.000 0.529 400 M N -2.397 117.130 119.600 -0.121 0.000 2.475 400 M HA 0.392 4.872 4.480 -0.000 0.000 0.283 400 M C 1.352 177.597 176.300 -0.093 0.000 1.165 400 M CA -0.185 55.063 55.300 -0.086 0.000 0.976 400 M CB 0.248 32.823 32.600 -0.042 0.000 1.428 400 M HN -0.326 nan 8.290 nan 0.000 0.495 401 S N 1.385 116.992 115.700 -0.154 0.000 2.400 401 S HA -0.035 4.435 4.470 -0.000 0.000 0.232 401 S C 1.964 176.532 174.600 -0.053 0.000 1.025 401 S CA 1.670 59.810 58.200 -0.100 0.000 0.993 401 S CB -0.727 62.379 63.200 -0.156 0.000 0.808 401 S HN 0.792 nan 8.310 nan 0.000 0.478 402 G N 0.102 108.863 108.800 -0.067 0.000 2.394 402 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.214 402 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.214 402 G C 1.727 176.628 174.900 0.001 0.000 1.176 402 G CA 0.921 46.012 45.100 -0.016 0.000 0.786 402 G HN 0.589 nan 8.290 nan 0.000 0.533 403 C N 1.158 120.444 119.300 -0.022 0.000 2.398 403 C HA 0.047 4.507 4.460 -0.000 0.000 0.276 403 C C 3.442 178.440 174.990 0.013 0.000 1.222 403 C CA 1.914 60.925 59.018 -0.011 0.000 1.746 403 C CB -1.089 26.627 27.740 -0.040 0.000 2.039 403 C HN 0.542 nan 8.230 nan 0.000 0.470 404 A N 0.273 123.085 122.820 -0.013 0.000 1.908 404 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 404 A C 2.488 180.085 177.584 0.022 0.000 1.181 404 A CA 2.460 54.485 52.037 -0.020 0.000 0.627 404 A CB -1.191 17.768 19.000 -0.069 0.000 0.818 404 A HN 0.931 nan 8.150 nan 0.000 0.445 405 A N -0.673 122.164 122.820 0.029 0.000 1.902 405 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 405 A C 2.229 179.863 177.584 0.083 0.000 1.181 405 A CA 1.769 53.832 52.037 0.043 0.000 0.623 405 A CB -0.924 18.107 19.000 0.051 0.000 0.818 405 A HN 0.399 nan 8.150 nan 0.000 0.443 406 V N 0.110 120.090 119.914 0.111 0.000 2.343 406 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 406 V C 2.534 178.751 176.094 0.204 0.000 1.051 406 V CA 1.983 64.405 62.300 0.203 0.000 1.036 406 V CB -0.670 31.272 31.823 0.198 0.000 0.654 406 V HN 0.573 nan 8.190 nan 0.000 0.451 407 L N 0.063 121.366 121.223 0.134 0.000 2.109 407 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 407 L C 2.632 179.576 176.870 0.123 0.000 1.086 407 L CA 1.450 56.355 54.840 0.110 0.000 0.760 407 L CB -1.096 41.097 42.059 0.222 0.000 0.910 407 L HN 0.452 nan 8.230 nan 0.000 0.437 408 G N -0.786 108.121 108.800 0.178 0.000 2.422 408 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 408 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 408 G C 1.803 176.759 174.900 0.093 0.000 1.146 408 G CA 0.825 46.018 45.100 0.155 0.000 0.769 408 G HN 0.454 nan 8.290 nan 0.000 0.547 409 C N 0.956 120.301 119.300 0.076 0.000 2.425 409 C HA 0.195 4.655 4.460 -0.000 0.000 0.277 409 C C 3.422 178.427 174.990 0.025 0.000 1.280 409 C CA 1.527 60.604 59.018 0.098 0.000 1.744 409 C CB -1.062 26.817 27.740 0.232 0.000 1.989 409 C HN 0.537 nan 8.230 nan 0.000 0.491 410 A N -0.942 121.735 122.820 -0.239 0.000 1.902 410 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 410 A C 2.035 179.401 177.584 -0.363 0.000 1.181 410 A CA 1.877 53.434 52.037 -0.801 0.000 0.623 410 A CB -1.220 17.102 19.000 -1.131 0.000 0.818 410 A HN 0.819 nan 8.150 nan 0.000 0.443 411 Y N 0.358 120.505 120.300 -0.255 0.000 2.128 411 Y HA -0.313 4.237 4.550 0.000 0.000 0.284 411 Y C 2.533 178.398 175.900 -0.059 0.000 1.154 411 Y CA 1.741 59.747 58.100 -0.156 0.000 1.149 411 Y CB -0.872 37.493 38.460 -0.158 0.000 0.976 411 Y HN 0.376 nan 8.280 nan 0.000 0.505 412 C N -0.980 118.191 119.300 -0.216 0.000 2.446 412 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 412 C C 2.822 177.687 174.990 -0.207 0.000 1.275 412 C CA 0.932 59.838 59.018 -0.187 0.000 1.727 412 C CB -1.235 26.529 27.740 0.040 0.000 2.010 412 C HN 0.504 nan 8.230 nan 0.000 0.486 413 V N 1.582 121.386 119.914 -0.183 0.000 2.295 413 V HA -0.127 3.994 4.120 -0.000 0.000 0.246 413 V C 2.696 178.529 176.094 -0.434 0.000 1.049 413 V CA 2.482 64.618 62.300 -0.274 0.000 1.024 413 V CB -1.541 30.194 31.823 -0.145 0.000 0.648 413 V HN 0.651 nan 8.190 nan 0.000 0.447 414 G N -1.030 107.563 108.800 -0.345 0.000 2.470 414 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 414 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 414 G C 1.629 176.416 174.900 -0.189 0.000 1.121 414 G CA 1.540 46.521 45.100 -0.198 0.000 0.766 414 G HN 0.503 nan 8.290 nan 0.000 0.553 415 T N 0.645 115.007 114.554 -0.320 0.000 2.939 415 T HA 0.128 4.478 4.350 -0.000 0.000 0.254 415 T C 2.292 176.910 174.700 -0.136 0.000 1.041 415 T CA 0.289 62.229 62.100 -0.267 0.000 1.142 415 T CB -0.039 68.551 68.868 -0.464 0.000 0.874 415 T HN 0.144 nan 8.240 nan 0.000 0.452 416 L N 0.359 121.502 121.223 -0.133 0.000 2.418 416 L HA 0.214 4.554 4.340 -0.000 0.000 0.218 416 L C 0.336 177.179 176.870 -0.045 0.000 1.125 416 L CA 0.255 55.060 54.840 -0.059 0.000 0.835 416 L CB -0.427 41.619 42.059 -0.022 0.000 0.953 416 L HN 0.187 nan 8.230 nan 0.000 0.454 417 K N 0.193 120.546 120.400 -0.078 0.000 4.007 417 K HA -0.145 4.175 4.320 -0.000 0.000 0.279 417 K C -2.200 174.446 176.600 0.076 0.000 0.919 417 K CA -0.255 56.057 56.287 0.041 0.000 0.800 417 K CB -1.469 31.112 32.500 0.134 0.000 1.572 417 K HN 0.250 nan 8.250 nan 0.000 0.443 418 P HA -0.005 nan 4.420 nan 0.000 0.269 418 P C -0.183 177.218 177.300 0.169 0.000 1.209 418 P CA 0.261 63.391 63.100 0.051 0.000 0.776 418 P CB 0.733 32.425 31.700 -0.014 0.000 0.876 419 E N 0.834 121.096 120.200 0.103 0.000 2.280 419 E HA 0.167 4.517 4.350 -0.000 0.000 0.264 419 E C 0.191 176.837 176.600 0.077 0.000 1.064 419 E CA -0.559 55.898 56.400 0.094 0.000 0.900 419 E CB 0.189 29.920 29.700 0.051 0.000 1.123 419 E HN 0.395 nan 8.360 nan 0.000 0.418 420 N N -1.251 117.483 118.700 0.057 0.000 2.800 420 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 420 N C -1.083 174.452 175.510 0.042 0.000 1.078 420 N CA 0.368 53.439 53.050 0.035 0.000 0.804 420 N CB -0.797 37.702 38.487 0.020 0.000 1.135 420 N HN 0.123 nan 8.380 nan 0.000 0.565 421 V N -0.004 119.959 119.914 0.082 0.000 3.007 421 V HA 0.526 4.646 4.120 -0.000 0.000 0.311 421 V C -1.291 174.871 176.094 0.113 0.000 1.120 421 V CA -0.620 61.734 62.300 0.090 0.000 0.980 421 V CB 2.268 34.145 31.823 0.089 0.000 1.033 421 V HN 0.178 nan 8.190 nan 0.000 0.429 422 E N 5.495 125.737 120.200 0.071 0.000 2.224 422 E HA 0.548 4.898 4.350 -0.000 0.000 0.265 422 E C -1.859 174.739 176.600 -0.003 0.000 0.878 422 E CA -0.690 55.725 56.400 0.024 0.000 0.759 422 E CB 1.692 31.382 29.700 -0.017 0.000 1.164 422 E HN 0.579 nan 8.360 nan 0.000 0.414 423 I N 4.113 124.661 120.570 -0.037 0.000 2.498 423 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 423 I C -0.435 175.449 176.117 -0.389 0.000 1.032 423 I CA -0.709 60.466 61.300 -0.208 0.000 1.073 423 I CB 1.456 39.272 38.000 -0.307 0.000 1.251 423 I HN 0.627 nan 8.210 nan 0.000 0.426 424 H N 5.882 124.859 119.070 -0.155 0.000 2.476 424 H HA 0.451 5.007 4.556 -0.000 0.000 0.328 424 H C -1.221 174.006 175.328 -0.169 0.000 1.073 424 H CA -0.309 55.767 56.048 0.046 0.000 1.229 424 H CB 1.709 31.545 29.762 0.123 0.000 1.432 424 H HN 0.304 nan 8.280 nan 0.000 0.477 425 F N 3.722 123.870 119.950 0.329 0.000 2.402 425 F HA 0.364 4.891 4.527 0.000 0.000 0.355 425 F C -0.018 175.898 175.800 0.193 0.000 1.123 425 F CA -0.594 57.538 58.000 0.220 0.000 1.021 425 F CB 1.096 40.208 39.000 0.185 0.000 1.160 425 F HN 0.154 nan 8.300 nan 0.000 0.451 426 L N 2.601 123.952 121.223 0.212 0.000 2.381 426 L HA 0.732 5.072 4.340 -0.000 0.000 0.268 426 L C -0.382 176.370 176.870 -0.196 0.000 0.997 426 L CA -0.750 54.094 54.840 0.008 0.000 0.818 426 L CB 2.286 44.363 42.059 0.030 0.000 1.310 426 L HN 0.539 nan 8.230 nan 0.000 0.416 427 S N 1.440 116.826 115.700 -0.524 0.000 2.649 427 S HA 0.651 5.121 4.470 -0.000 0.000 0.274 427 S C -0.760 173.260 174.600 -0.966 0.000 1.176 427 S CA -0.438 57.434 58.200 -0.547 0.000 0.988 427 S CB 1.627 64.679 63.200 -0.246 0.000 1.071 427 S HN 0.707 nan 8.310 nan 0.000 0.478 428 A N 4.702 126.922 122.820 -1.000 0.000 2.539 428 A HA 0.563 4.883 4.320 -0.000 0.000 0.306 428 A C -0.069 177.271 177.584 -0.407 0.000 1.392 428 A CA -0.289 51.084 52.037 -1.107 0.000 1.060 428 A CB -0.392 17.767 19.000 -1.403 0.000 1.134 428 A HN 0.782 nan 8.150 nan 0.000 0.542 429 V N 2.673 122.555 119.914 -0.053 0.000 2.465 429 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 429 V C 0.545 176.799 176.094 0.267 0.000 1.045 429 V CA -0.065 62.287 62.300 0.087 0.000 0.938 429 V CB 0.065 31.910 31.823 0.036 0.000 0.986 429 V HN 1.248 nan 8.190 nan 0.000 0.467 430 C N 2.277 121.689 119.300 0.186 0.000 3.249 430 C HA 0.770 5.230 4.460 -0.000 0.000 0.350 430 C C -0.976 174.080 174.990 0.109 0.000 1.431 430 C CA -0.910 58.197 59.018 0.148 0.000 1.209 430 C CB 1.601 29.421 27.740 0.133 0.000 1.546 430 C HN 0.891 nan 8.230 nan 0.000 0.450 431 E N 0.826 121.095 120.200 0.115 0.000 2.248 431 E HA 0.460 4.810 4.350 -0.000 0.000 0.267 431 E C -1.556 175.118 176.600 0.124 0.000 0.877 431 E CA -0.280 56.206 56.400 0.144 0.000 0.759 431 E CB 1.565 31.397 29.700 0.221 0.000 1.182 431 E HN 0.652 nan 8.360 nan 0.000 0.418 432 N N 5.135 123.902 118.700 0.112 0.000 2.527 432 N HA 0.238 4.978 4.740 -0.000 0.000 0.236 432 N C -1.066 174.517 175.510 0.122 0.000 0.999 432 N CA -0.070 53.039 53.050 0.098 0.000 0.935 432 N CB 0.411 38.936 38.487 0.062 0.000 1.132 432 N HN 0.437 nan 8.380 nan 0.000 0.511 433 M N 1.349 121.022 119.600 0.122 0.000 2.775 433 M HA 0.483 4.963 4.480 -0.000 0.000 0.296 433 M C -0.696 175.614 176.300 0.016 0.000 1.248 433 M CA -1.030 54.329 55.300 0.098 0.000 0.800 433 M CB 1.543 34.205 32.600 0.104 0.000 1.765 433 M HN -0.058 nan 8.290 nan 0.000 0.472 434 V N 0.587 120.462 119.914 -0.064 0.000 2.417 434 V HA 0.713 4.833 4.120 -0.000 0.000 0.291 434 V C -0.183 175.827 176.094 -0.140 0.000 1.024 434 V CA -0.241 61.910 62.300 -0.248 0.000 0.861 434 V CB 1.425 33.031 31.823 -0.362 0.000 0.985 434 V HN 0.944 nan 8.190 nan 0.000 0.436 435 S N 3.041 118.693 115.700 -0.079 0.000 2.587 435 S HA 0.338 4.808 4.470 -0.000 0.000 0.269 435 S C 0.645 175.336 174.600 0.152 0.000 1.154 435 S CA -0.269 57.953 58.200 0.037 0.000 0.824 435 S CB 1.767 64.993 63.200 0.044 0.000 1.118 435 S HN 0.858 nan 8.310 nan 0.000 0.462 436 K N 1.476 121.944 120.400 0.114 0.000 2.280 436 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 436 K C 0.581 177.249 176.600 0.113 0.000 1.047 436 K CA 1.469 57.828 56.287 0.121 0.000 0.942 436 K CB -0.395 32.143 32.500 0.064 0.000 0.739 436 K HN 0.399 nan 8.250 nan 0.000 0.457 437 N N 0.926 119.688 118.700 0.102 0.000 2.336 437 N HA 0.037 4.777 4.740 -0.000 0.000 0.189 437 N C -0.379 175.210 175.510 0.132 0.000 1.113 437 N CA 0.117 53.220 53.050 0.088 0.000 0.858 437 N CB 0.484 39.000 38.487 0.048 0.000 0.970 437 N HN 0.112 nan 8.380 nan 0.000 0.471 438 S N 0.964 116.794 115.700 0.216 0.000 2.579 438 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 438 S C 0.265 175.062 174.600 0.329 0.000 1.345 438 S CA -0.654 57.728 58.200 0.305 0.000 1.031 438 S CB 0.243 63.686 63.200 0.404 0.000 0.892 438 S HN 0.372 nan 8.310 nan 0.000 0.529 439 Y N 0.999 121.361 120.300 0.104 0.000 2.426 439 Y HA 0.526 5.076 4.550 -0.000 0.000 0.344 439 Y C 0.229 176.176 175.900 0.079 0.000 1.256 439 Y CA -1.062 57.076 58.100 0.063 0.000 1.451 439 Y CB 0.504 38.991 38.460 0.045 0.000 1.342 439 Y HN 0.439 nan 8.280 nan 0.000 0.600 440 R N 1.750 122.181 120.500 -0.116 0.000 2.832 440 R HA 0.415 4.755 4.340 -0.000 0.000 0.271 440 R C -2.824 173.290 176.300 -0.310 0.000 0.996 440 R CA -2.285 53.660 56.100 -0.257 0.000 0.977 440 R CB 1.255 31.412 30.300 -0.239 0.000 1.168 440 R HN 0.466 nan 8.270 nan 0.000 0.482 441 P HA -0.051 nan 4.420 nan 0.000 0.260 441 P C 0.469 177.688 177.300 -0.133 0.000 1.172 441 P CA 1.270 64.257 63.100 -0.188 0.000 0.760 441 P CB 0.507 32.129 31.700 -0.131 0.000 0.773 442 G N 2.327 111.070 108.800 -0.094 0.000 2.258 442 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.233 442 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.233 442 G C 0.072 174.948 174.900 -0.040 0.000 1.006 442 G CA -0.262 44.802 45.100 -0.060 0.000 0.620 442 G HN 0.499 nan 8.290 nan 0.000 0.511 443 D N 0.577 120.954 120.400 -0.039 0.000 2.449 443 D HA 0.423 5.063 4.640 -0.000 0.000 0.236 443 D C 0.740 177.072 176.300 0.053 0.000 1.149 443 D CA 0.494 54.502 54.000 0.013 0.000 0.878 443 D CB 0.673 41.512 40.800 0.065 0.000 1.198 443 D HN 0.386 nan 8.370 nan 0.000 0.446 444 I N 2.902 123.506 120.570 0.056 0.000 2.378 444 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 444 I C 0.125 176.297 176.117 0.092 0.000 0.992 444 I CA -0.686 60.663 61.300 0.082 0.000 1.154 444 I CB 0.948 38.991 38.000 0.072 0.000 1.315 444 I HN 0.211 nan 8.210 nan 0.000 0.448 445 I N 1.803 122.444 120.570 0.117 0.000 2.892 445 I HA 0.650 4.820 4.170 -0.000 0.000 0.306 445 I C -0.867 175.321 176.117 0.118 0.000 1.078 445 I CA -0.469 60.898 61.300 0.112 0.000 1.032 445 I CB 2.517 40.592 38.000 0.126 0.000 1.229 445 I HN 0.278 nan 8.210 nan 0.000 0.435 446 T N 3.545 118.159 114.554 0.099 0.000 2.786 446 T HA 0.674 5.024 4.350 -0.000 0.000 0.283 446 T C 0.149 174.915 174.700 0.111 0.000 0.992 446 T CA -0.395 61.767 62.100 0.104 0.000 0.954 446 T CB 1.367 70.281 68.868 0.077 0.000 0.934 446 T HN 0.838 nan 8.240 nan 0.000 0.440 447 A N 2.221 125.132 122.820 0.151 0.000 2.296 447 A HA 0.507 4.827 4.320 -0.000 0.000 0.264 447 A C 1.649 179.311 177.584 0.130 0.000 1.097 447 A CA -0.263 51.867 52.037 0.155 0.000 0.811 447 A CB 0.073 19.227 19.000 0.257 0.000 1.072 447 A HN 0.930 nan 8.150 nan 0.000 0.495 448 S N 0.320 116.089 115.700 0.116 0.000 2.500 448 S HA -0.162 4.308 4.470 -0.000 0.000 0.239 448 S C 0.937 175.587 174.600 0.083 0.000 0.989 448 S CA 1.193 59.447 58.200 0.090 0.000 0.951 448 S CB -0.561 62.689 63.200 0.084 0.000 0.759 448 S HN 0.881 nan 8.310 nan 0.000 0.523 449 N N 1.040 119.808 118.700 0.113 0.000 2.322 449 N HA 0.250 4.990 4.740 -0.000 0.000 0.194 449 N C 1.209 176.740 175.510 0.035 0.000 1.126 449 N CA 0.574 53.661 53.050 0.061 0.000 0.845 449 N CB -0.385 38.128 38.487 0.043 0.000 0.976 449 N HN 0.546 nan 8.380 nan 0.000 0.475 450 G N -0.050 108.785 108.800 0.058 0.000 2.195 450 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.246 450 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.246 450 G C -0.199 174.728 174.900 0.044 0.000 0.984 450 G CA 0.014 45.139 45.100 0.042 0.000 0.633 450 G HN 0.433 nan 8.290 nan 0.000 0.525 451 K N 2.362 122.793 120.400 0.052 0.000 2.416 451 K HA 0.379 4.699 4.320 -0.000 0.000 0.283 451 K C 0.946 177.616 176.600 0.117 0.000 1.037 451 K CA 0.716 57.030 56.287 0.044 0.000 0.995 451 K CB 0.505 32.987 32.500 -0.031 0.000 0.938 451 K HN 0.446 nan 8.250 nan 0.000 0.475 452 T N 0.663 115.275 114.554 0.098 0.000 2.889 452 T HA 0.508 4.858 4.350 -0.000 0.000 0.291 452 T C 0.241 175.041 174.700 0.165 0.000 0.995 452 T CA -0.726 61.448 62.100 0.124 0.000 1.092 452 T CB 0.501 69.427 68.868 0.097 0.000 0.954 452 T HN 0.355 nan 8.240 nan 0.000 0.506 453 I N 1.696 122.383 120.570 0.194 0.000 2.466 453 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 453 I C 0.074 176.300 176.117 0.181 0.000 1.026 453 I CA -0.848 60.597 61.300 0.242 0.000 1.078 453 I CB 2.208 40.410 38.000 0.336 0.000 1.249 453 I HN 0.742 nan 8.210 nan 0.000 0.429 454 E N 5.769 126.067 120.200 0.163 0.000 2.152 454 E HA 0.320 4.670 4.350 -0.000 0.000 0.285 454 E C -1.074 175.577 176.600 0.086 0.000 1.043 454 E CA -0.603 55.868 56.400 0.118 0.000 0.839 454 E CB 1.209 30.980 29.700 0.118 0.000 1.069 454 E HN 0.375 nan 8.360 nan 0.000 0.399 455 V N 4.928 124.880 119.914 0.064 0.000 2.439 455 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 455 V C 1.160 177.236 176.094 -0.031 0.000 1.040 455 V CA 0.632 62.944 62.300 0.019 0.000 1.002 455 V CB 1.181 33.012 31.823 0.014 0.000 1.000 455 V HN 0.938 nan 8.190 nan 0.000 0.477 456 G N 3.775 112.550 108.800 -0.041 0.000 2.762 456 G HA2 0.060 4.020 3.960 -0.000 0.000 0.209 456 G HA3 0.060 4.020 3.960 -0.000 0.000 0.209 456 G C 0.492 175.352 174.900 -0.068 0.000 1.134 456 G CA 0.080 45.152 45.100 -0.045 0.000 0.781 456 G HN 0.595 nan 8.290 nan 0.000 0.528 457 N N -0.109 118.539 118.700 -0.087 0.000 2.578 457 N HA 0.049 4.789 4.740 -0.000 0.000 0.282 457 N C 0.918 176.366 175.510 -0.104 0.000 1.119 457 N CA 0.296 53.293 53.050 -0.088 0.000 0.948 457 N CB 1.328 39.779 38.487 -0.061 0.000 1.546 457 N HN -0.026 nan 8.380 nan 0.000 0.525 458 T N -1.006 113.453 114.554 -0.158 0.000 3.072 458 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 458 T C 0.919 175.644 174.700 0.041 0.000 1.127 458 T CA 0.874 62.851 62.100 -0.205 0.000 1.107 458 T CB 0.098 68.751 68.868 -0.359 0.000 0.910 458 T HN 0.343 nan 8.240 nan 0.000 0.513 459 D N 1.495 121.896 120.400 0.002 0.000 2.340 459 D HA 0.259 4.899 4.640 -0.000 0.000 0.220 459 D C 1.060 177.363 176.300 0.005 0.000 1.039 459 D CA 0.035 54.041 54.000 0.010 0.000 0.866 459 D CB -0.255 40.537 40.800 -0.013 0.000 0.913 459 D HN 0.526 nan 8.370 nan 0.000 0.523 460 A N 1.023 123.841 122.820 -0.004 0.000 3.282 460 A HA 0.157 4.477 4.320 -0.000 0.000 0.287 460 A C 1.410 178.985 177.584 -0.014 0.000 1.366 460 A CA -0.380 51.636 52.037 -0.035 0.000 1.069 460 A CB -0.198 18.747 19.000 -0.092 0.000 1.109 460 A HN 0.167 nan 8.150 nan 0.000 0.638 461 E N 0.174 120.401 120.200 0.044 0.000 2.230 461 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 461 E C 1.518 178.124 176.600 0.010 0.000 0.987 461 E CA 1.263 57.707 56.400 0.072 0.000 0.841 461 E CB -0.893 28.872 29.700 0.107 0.000 0.783 461 E HN 0.370 nan 8.360 nan 0.000 0.481 462 G N 2.831 111.628 108.800 -0.005 0.000 2.446 462 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.217 462 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.217 462 G C 1.871 176.763 174.900 -0.014 0.000 1.168 462 G CA 1.459 46.554 45.100 -0.009 0.000 0.771 462 G HN 0.475 nan 8.290 nan 0.000 0.551 463 R N 0.283 120.760 120.500 -0.038 0.000 2.152 463 R HA 0.123 4.463 4.340 -0.000 0.000 0.232 463 R C 2.260 178.580 176.300 0.033 0.000 1.117 463 R CA 1.054 57.145 56.100 -0.015 0.000 0.981 463 R CB -0.582 29.649 30.300 -0.115 0.000 0.870 463 R HN 0.399 nan 8.270 nan 0.000 0.451 464 L N 1.616 122.823 121.223 -0.028 0.000 2.044 464 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 464 L C 2.878 179.746 176.870 -0.003 0.000 1.075 464 L CA 1.860 56.707 54.840 0.011 0.000 0.747 464 L CB -0.861 41.207 42.059 0.014 0.000 0.903 464 L HN 0.417 nan 8.230 nan 0.000 0.435 465 T N -1.787 112.773 114.554 0.011 0.000 2.821 465 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 465 T C 1.884 176.526 174.700 -0.096 0.000 1.046 465 T CA 0.901 63.005 62.100 0.005 0.000 1.139 465 T CB -0.505 68.375 68.868 0.020 0.000 0.871 465 T HN 0.190 nan 8.240 nan 0.000 0.454 466 L N 0.854 122.035 121.223 -0.071 0.000 2.141 466 L HA 0.081 4.421 4.340 -0.000 0.000 0.209 466 L C 3.320 180.119 176.870 -0.118 0.000 1.094 466 L CA 0.962 55.763 54.840 -0.065 0.000 0.763 466 L CB -0.750 41.306 42.059 -0.004 0.000 0.908 466 L HN 0.404 nan 8.230 nan 0.000 0.437 467 A N -0.001 122.678 122.820 -0.235 0.000 1.883 467 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 467 A C 1.974 179.361 177.584 -0.328 0.000 1.186 467 A CA 2.073 53.739 52.037 -0.617 0.000 0.624 467 A CB -0.536 17.686 19.000 -1.296 0.000 0.822 467 A HN 0.342 nan 8.150 nan 0.000 0.444 468 D N -0.172 120.135 120.400 -0.155 0.000 2.144 468 D HA -0.034 4.606 4.640 -0.000 0.000 0.199 468 D C 2.200 178.550 176.300 0.083 0.000 0.984 468 D CA 1.425 55.429 54.000 0.005 0.000 0.834 468 D CB -0.316 40.539 40.800 0.091 0.000 0.955 468 D HN 0.432 nan 8.370 nan 0.000 0.465 469 A N 0.520 123.382 122.820 0.070 0.000 1.969 469 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 469 A C 2.375 180.067 177.584 0.180 0.000 1.169 469 A CA 0.652 52.809 52.037 0.200 0.000 0.635 469 A CB -0.586 18.427 19.000 0.022 0.000 0.810 469 A HN 0.183 nan 8.150 nan 0.000 0.445 470 L N -0.663 120.604 121.223 0.073 0.000 2.093 470 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 470 L C 2.466 179.373 176.870 0.062 0.000 1.085 470 L CA 0.815 55.684 54.840 0.049 0.000 0.755 470 L CB -0.533 41.489 42.059 -0.062 0.000 0.904 470 L HN 0.220 nan 8.230 nan 0.000 0.435 471 V N -0.902 119.062 119.914 0.083 0.000 2.343 471 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 471 V C 2.230 178.371 176.094 0.078 0.000 1.051 471 V CA 1.945 64.294 62.300 0.082 0.000 1.036 471 V CB -0.636 31.254 31.823 0.113 0.000 0.654 471 V HN 0.409 nan 8.190 nan 0.000 0.451 472 Y N 1.183 121.473 120.300 -0.017 0.000 2.145 472 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 472 Y C 2.403 178.268 175.900 -0.058 0.000 1.145 472 Y CA 1.636 59.699 58.100 -0.062 0.000 1.148 472 Y CB -0.428 37.967 38.460 -0.107 0.000 0.981 472 Y HN 0.155 nan 8.280 nan 0.000 0.507 473 A N 0.041 122.960 122.820 0.165 0.000 1.902 473 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 473 A C 2.164 179.720 177.584 -0.048 0.000 1.181 473 A CA 1.945 54.012 52.037 0.050 0.000 0.623 473 A CB -0.884 18.188 19.000 0.120 0.000 0.818 473 A HN 0.645 nan 8.150 nan 0.000 0.443 474 E N -0.075 120.110 120.200 -0.024 0.000 2.106 474 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 474 E C 1.796 178.343 176.600 -0.089 0.000 0.984 474 E CA 1.222 57.598 56.400 -0.041 0.000 0.806 474 E CB -0.081 29.602 29.700 -0.028 0.000 0.750 474 E HN 0.612 nan 8.360 nan 0.000 0.458 475 K N 0.107 120.425 120.400 -0.136 0.000 2.360 475 K HA -0.087 4.233 4.320 -0.000 0.000 0.201 475 K C 1.899 178.369 176.600 -0.217 0.000 1.046 475 K CA 0.605 56.785 56.287 -0.177 0.000 0.945 475 K CB 0.017 32.384 32.500 -0.222 0.000 0.750 475 K HN 0.261 nan 8.250 nan 0.000 0.464 476 L N -0.031 121.032 121.223 -0.266 0.000 2.376 476 L HA 0.008 4.348 4.340 -0.000 0.000 0.219 476 L C 0.935 177.712 176.870 -0.156 0.000 1.133 476 L CA 0.486 55.158 54.840 -0.279 0.000 0.816 476 L CB -0.481 41.308 42.059 -0.450 0.000 0.933 476 L HN 0.369 nan 8.230 nan 0.000 0.449 477 G N 1.321 110.058 108.800 -0.106 0.000 2.326 477 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.286 477 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.286 477 G C 0.009 174.888 174.900 -0.035 0.000 1.096 477 G CA 0.189 45.253 45.100 -0.060 0.000 1.003 477 G HN 0.233 nan 8.290 nan 0.000 0.503 478 V N -3.129 116.770 119.914 -0.024 0.000 2.973 478 V HA 0.737 4.857 4.120 -0.000 0.000 0.314 478 V C 1.070 177.142 176.094 -0.037 0.000 1.066 478 V CA 0.015 62.321 62.300 0.009 0.000 1.021 478 V CB 1.712 33.575 31.823 0.067 0.000 1.076 478 V HN 0.070 nan 8.190 nan 0.000 0.462 479 D N -0.301 120.035 120.400 -0.106 0.000 2.213 479 D HA 0.082 4.722 4.640 -0.000 0.000 0.205 479 D C -0.366 175.702 176.300 -0.387 0.000 0.961 479 D CA 1.873 55.677 54.000 -0.326 0.000 0.853 479 D CB 0.099 40.572 40.800 -0.545 0.000 0.967 479 D HN 0.656 nan 8.370 nan 0.000 0.496 480 Y N -0.478 119.900 120.300 0.131 0.000 2.492 480 Y HA 0.463 5.013 4.550 -0.000 0.000 0.346 480 Y C -0.232 175.776 175.900 0.180 0.000 0.997 480 Y CA -0.949 57.255 58.100 0.174 0.000 1.025 480 Y CB 1.698 40.319 38.460 0.268 0.000 1.263 480 Y HN -0.314 nan 8.280 nan 0.000 0.454 481 I N 3.577 124.368 120.570 0.369 0.000 2.389 481 I HA 0.557 4.727 4.170 -0.000 0.000 0.288 481 I C -1.028 175.246 176.117 0.262 0.000 0.999 481 I CA -0.940 60.553 61.300 0.321 0.000 1.129 481 I CB 1.487 39.707 38.000 0.366 0.000 1.288 481 I HN 0.232 nan 8.210 nan 0.000 0.444 482 V N 4.890 124.890 119.914 0.144 0.000 2.487 482 V HA 0.346 4.466 4.120 -0.000 0.000 0.298 482 V C -0.690 175.448 176.094 0.073 0.000 1.028 482 V CA -0.558 61.730 62.300 -0.020 0.000 0.860 482 V CB 1.968 33.642 31.823 -0.247 0.000 0.991 482 V HN 0.868 nan 8.190 nan 0.000 0.427 483 D N 3.909 124.379 120.400 0.116 0.000 2.269 483 D HA 0.704 5.344 4.640 -0.000 0.000 0.244 483 D C -0.659 175.716 176.300 0.125 0.000 0.992 483 D CA -0.590 53.525 54.000 0.191 0.000 0.894 483 D CB 2.504 43.514 40.800 0.350 0.000 1.248 483 D HN 0.524 nan 8.370 nan 0.000 0.468 484 I N 0.570 121.205 120.570 0.107 0.000 2.569 484 I HA 0.730 4.900 4.170 -0.000 0.000 0.290 484 I C -1.831 174.328 176.117 0.069 0.000 1.088 484 I CA -0.615 60.722 61.300 0.062 0.000 1.047 484 I CB 1.437 39.464 38.000 0.044 0.000 1.237 484 I HN 0.808 nan 8.210 nan 0.000 0.421 485 A N 3.381 126.234 122.820 0.055 0.000 2.566 485 A HA 0.539 4.859 4.320 -0.000 0.000 0.297 485 A C -0.479 177.105 177.584 0.001 0.000 1.059 485 A CA -0.430 51.637 52.037 0.050 0.000 0.691 485 A CB 1.307 20.406 19.000 0.165 0.000 1.282 485 A HN 0.684 nan 8.150 nan 0.000 0.401 486 T N 1.278 115.777 114.554 -0.092 0.000 3.945 486 T HA 0.335 4.685 4.350 -0.000 0.000 0.306 486 T C 0.744 175.419 174.700 -0.041 0.000 1.475 486 T CA -0.072 61.940 62.100 -0.146 0.000 1.177 486 T CB -0.294 68.266 68.868 -0.514 0.000 1.272 486 T HN 0.564 nan 8.240 nan 0.000 0.930 487 L N 2.675 123.929 121.223 0.052 0.000 2.130 487 L HA 0.312 4.652 4.340 -0.000 0.000 0.200 487 L C 1.161 178.081 176.870 0.083 0.000 1.075 487 L CA 1.243 56.134 54.840 0.085 0.000 0.768 487 L CB -0.054 42.114 42.059 0.180 0.000 0.933 487 L HN 0.772 nan 8.230 nan 0.000 0.451 488 T N -3.935 110.686 114.554 0.112 0.000 2.824 488 T HA 0.512 4.862 4.350 -0.000 0.000 0.282 488 T C 0.984 175.768 174.700 0.140 0.000 0.993 488 T CA -0.322 61.844 62.100 0.110 0.000 0.967 488 T CB 1.417 70.348 68.868 0.106 0.000 0.960 488 T HN 0.189 nan 8.240 nan 0.000 0.441 489 G N 1.358 110.240 108.800 0.137 0.000 2.479 489 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.220 489 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.220 489 G C 1.598 176.640 174.900 0.236 0.000 1.115 489 G CA 0.575 45.779 45.100 0.174 0.000 0.757 489 G HN 1.147 nan 8.290 nan 0.000 0.560 490 A N 0.534 123.475 122.820 0.201 0.000 2.076 490 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 490 A C 2.338 180.076 177.584 0.256 0.000 1.160 490 A CA 1.672 53.854 52.037 0.241 0.000 0.653 490 A CB -0.303 18.774 19.000 0.130 0.000 0.801 490 A HN 0.310 nan 8.150 nan 0.000 0.455 491 M N -0.555 119.165 119.600 0.200 0.000 2.202 491 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 491 M C 1.962 178.318 176.300 0.092 0.000 1.063 491 M CA 1.171 56.567 55.300 0.159 0.000 1.097 491 M CB -1.360 31.328 32.600 0.146 0.000 1.382 491 M HN 0.431 nan 8.290 nan 0.000 0.413 492 L N -1.813 119.445 121.223 0.058 0.000 2.265 492 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 492 L C 1.855 178.536 176.870 -0.315 0.000 1.117 492 L CA 1.026 55.778 54.840 -0.146 0.000 0.782 492 L CB -0.603 41.296 42.059 -0.266 0.000 0.914 492 L HN 0.233 nan 8.230 nan 0.000 0.441 493 Y N -1.409 118.892 120.300 0.002 0.000 2.500 493 Y HA -0.048 4.502 4.550 -0.000 0.000 0.270 493 Y C 2.650 178.543 175.900 -0.012 0.000 1.134 493 Y CA 0.630 58.724 58.100 -0.011 0.000 1.293 493 Y CB -0.008 38.449 38.460 -0.006 0.000 1.063 493 Y HN 0.214 nan 8.280 nan 0.000 0.534 494 S N -0.802 114.965 115.700 0.111 0.000 2.559 494 S HA 0.069 4.539 4.470 -0.000 0.000 0.212 494 S C 1.467 176.052 174.600 -0.026 0.000 0.994 494 S CA 0.340 58.578 58.200 0.063 0.000 0.903 494 S CB -0.580 62.688 63.200 0.112 0.000 0.861 494 S HN 0.304 nan 8.310 nan 0.000 0.601 495 L N 1.268 122.478 121.223 -0.021 0.000 2.556 495 L HA 0.408 4.748 4.340 -0.000 0.000 0.226 495 L C 1.597 178.410 176.870 -0.094 0.000 1.089 495 L CA 0.309 55.099 54.840 -0.083 0.000 0.864 495 L CB -0.499 41.556 42.059 -0.007 0.000 1.067 495 L HN 0.755 nan 8.230 nan 0.000 0.477 496 G N 1.211 109.970 108.800 -0.070 0.000 2.512 496 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.240 496 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.240 496 G C 0.596 175.484 174.900 -0.022 0.000 1.246 496 G CA 0.241 45.289 45.100 -0.086 0.000 0.919 496 G HN 0.215 nan 8.290 nan 0.000 0.577 497 T N -2.829 111.727 114.554 0.002 0.000 3.060 497 T HA 0.475 4.825 4.350 -0.000 0.000 0.249 497 T C 2.044 176.800 174.700 0.094 0.000 1.079 497 T CA 1.629 63.777 62.100 0.081 0.000 1.013 497 T CB 0.423 69.374 68.868 0.138 0.000 0.975 497 T HN 0.676 nan 8.240 nan 0.000 0.518 498 S N -0.153 115.611 115.700 0.107 0.000 2.506 498 S HA 0.314 4.784 4.470 -0.000 0.000 0.230 498 S C -0.405 174.412 174.600 0.361 0.000 1.066 498 S CA -0.101 58.237 58.200 0.229 0.000 0.940 498 S CB -0.019 63.345 63.200 0.273 0.000 0.818 498 S HN 0.471 nan 8.310 nan 0.000 0.518 499 Y N 1.487 121.789 120.300 0.003 0.000 2.377 499 Y HA 0.722 5.272 4.550 -0.000 0.000 0.339 499 Y C 0.330 176.209 175.900 -0.034 0.000 1.011 499 Y CA -2.129 55.997 58.100 0.043 0.000 1.093 499 Y CB 0.584 39.082 38.460 0.064 0.000 1.201 499 Y HN 0.103 nan 8.280 nan 0.000 0.455 500 A N 1.758 124.615 122.820 0.061 0.000 2.304 500 A HA 0.672 4.992 4.320 -0.000 0.000 0.271 500 A C 0.494 178.145 177.584 0.111 0.000 1.091 500 A CA 0.018 52.040 52.037 -0.025 0.000 0.812 500 A CB 0.068 19.025 19.000 -0.072 0.000 1.056 500 A HN 0.889 nan 8.150 nan 0.000 0.489 501 G N -0.590 108.257 108.800 0.079 0.000 2.332 501 G HA2 0.510 4.470 3.960 -0.000 0.000 0.310 501 G HA3 0.510 4.470 3.960 -0.000 0.000 0.310 501 G C -0.856 174.009 174.900 -0.060 0.000 1.123 501 G CA -0.239 44.871 45.100 0.017 0.000 0.873 501 G HN 1.143 nan 8.290 nan 0.000 0.460 502 V N 3.161 122.986 119.914 -0.148 0.000 2.459 502 V HA 0.829 4.949 4.120 -0.000 0.000 0.295 502 V C -1.116 174.864 176.094 -0.190 0.000 1.029 502 V CA -0.898 61.324 62.300 -0.131 0.000 0.874 502 V CB 0.970 32.704 31.823 -0.148 0.000 0.985 502 V HN 0.545 nan 8.190 nan 0.000 0.438 503 F N 4.180 124.123 119.950 -0.013 0.000 2.579 503 F HA 0.978 5.505 4.527 -0.000 0.000 0.324 503 F C 0.701 176.376 175.800 -0.208 0.000 1.058 503 F CA -0.027 58.014 58.000 0.068 0.000 0.944 503 F CB 2.534 41.629 39.000 0.158 0.000 1.245 503 F HN 0.786 nan 8.300 nan 0.000 0.477 504 G N 0.475 109.305 108.800 0.049 0.000 2.506 504 G HA2 0.254 4.214 3.960 -0.000 0.000 0.292 504 G HA3 0.254 4.214 3.960 -0.000 0.000 0.292 504 G C -1.316 173.646 174.900 0.103 0.000 1.425 504 G CA -0.882 44.080 45.100 -0.231 0.000 0.788 504 G HN 0.621 nan 8.290 nan 0.000 0.490 505 N N -0.407 118.419 118.700 0.209 0.000 2.203 505 N HA 0.106 4.846 4.740 -0.000 0.000 0.207 505 N C -0.055 175.563 175.510 0.180 0.000 1.130 505 N CA -0.306 52.922 53.050 0.298 0.000 0.861 505 N CB 0.622 39.377 38.487 0.446 0.000 1.005 505 N HN 0.473 nan 8.380 nan 0.000 0.507 506 N N 0.376 119.130 118.700 0.091 0.000 2.503 506 N HA 0.020 4.760 4.740 -0.000 0.000 0.287 506 N C -0.443 175.028 175.510 -0.064 0.000 1.096 506 N CA -0.111 52.970 53.050 0.052 0.000 0.936 506 N CB 1.969 40.514 38.487 0.096 0.000 1.570 506 N HN 0.109 nan 8.380 nan 0.000 0.504 507 E N 2.199 122.359 120.200 -0.066 0.000 2.072 507 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 507 E C 1.204 177.667 176.600 -0.228 0.000 0.985 507 E CA 1.010 57.291 56.400 -0.198 0.000 0.801 507 E CB 0.199 29.847 29.700 -0.087 0.000 0.750 507 E HN 0.679 nan 8.360 nan 0.000 0.452 508 E N 0.332 120.468 120.200 -0.107 0.000 2.065 508 E HA -0.256 4.094 4.350 -0.000 0.000 0.201 508 E C 2.198 178.717 176.600 -0.136 0.000 1.016 508 E CA 1.415 57.765 56.400 -0.083 0.000 0.818 508 E CB -0.151 29.556 29.700 0.013 0.000 0.749 508 E HN 0.250 nan 8.360 nan 0.000 0.453 509 L N 1.115 122.258 121.223 -0.133 0.000 2.017 509 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 509 L C 2.276 178.949 176.870 -0.328 0.000 1.073 509 L CA 1.498 56.189 54.840 -0.248 0.000 0.745 509 L CB -0.543 41.406 42.059 -0.183 0.000 0.894 509 L HN 0.214 nan 8.230 nan 0.000 0.432 510 I N 0.137 120.471 120.570 -0.392 0.000 2.151 510 I HA -0.374 3.796 4.170 -0.000 0.000 0.243 510 I C 2.112 177.931 176.117 -0.497 0.000 1.080 510 I CA 1.572 62.535 61.300 -0.561 0.000 1.339 510 I CB -0.616 36.825 38.000 -0.931 0.000 1.039 510 I HN 0.390 nan 8.210 nan 0.000 0.409 511 N N 0.863 119.309 118.700 -0.423 0.000 2.205 511 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 511 N C 1.715 177.108 175.510 -0.194 0.000 1.015 511 N CA 1.205 54.082 53.050 -0.288 0.000 0.862 511 N CB -0.261 38.099 38.487 -0.213 0.000 0.986 511 N HN 0.425 nan 8.380 nan 0.000 0.429 512 K N 0.323 120.622 120.400 -0.169 0.000 2.057 512 K HA 0.002 4.322 4.320 -0.000 0.000 0.206 512 K C 1.785 178.350 176.600 -0.058 0.000 1.050 512 K CA 0.649 56.896 56.287 -0.067 0.000 0.935 512 K CB 0.010 32.506 32.500 -0.007 0.000 0.715 512 K HN 0.076 nan 8.250 nan 0.000 0.439 513 I N 1.530 121.974 120.570 -0.209 0.000 2.226 513 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 513 I C 2.205 178.217 176.117 -0.176 0.000 1.100 513 I CA 1.460 62.609 61.300 -0.251 0.000 1.374 513 I CB -1.073 36.706 38.000 -0.369 0.000 1.057 513 I HN 0.169 nan 8.210 nan 0.000 0.413 514 L N -0.122 120.983 121.223 -0.197 0.000 2.056 514 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 514 L C 2.640 179.444 176.870 -0.110 0.000 1.078 514 L CA 1.084 55.827 54.840 -0.162 0.000 0.749 514 L CB -0.665 41.274 42.059 -0.200 0.000 0.901 514 L HN 0.232 nan 8.230 nan 0.000 0.433 515 Q N 0.425 120.169 119.800 -0.094 0.000 2.061 515 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 515 Q C 2.277 178.257 176.000 -0.035 0.000 0.984 515 Q CA 2.347 58.116 55.803 -0.057 0.000 0.846 515 Q CB -0.307 28.404 28.738 -0.045 0.000 0.902 515 Q HN 0.336 nan 8.270 nan 0.000 0.421 516 S N -0.333 115.357 115.700 -0.018 0.000 2.400 516 S HA -0.174 4.296 4.470 -0.000 0.000 0.232 516 S C 1.935 176.512 174.600 -0.039 0.000 1.025 516 S CA 1.074 59.276 58.200 0.003 0.000 0.993 516 S CB -0.581 62.653 63.200 0.056 0.000 0.808 516 S HN 0.530 nan 8.310 nan 0.000 0.478 517 S N 1.334 116.990 115.700 -0.073 0.000 2.368 517 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 517 S C 1.819 176.361 174.600 -0.096 0.000 1.030 517 S CA 1.181 59.323 58.200 -0.096 0.000 0.999 517 S CB -0.193 62.949 63.200 -0.098 0.000 0.844 517 S HN 0.465 nan 8.310 nan 0.000 0.459 518 K N 0.157 120.512 120.400 -0.074 0.000 2.026 518 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 518 K C 2.424 178.993 176.600 -0.052 0.000 1.048 518 K CA 1.830 58.078 56.287 -0.065 0.000 0.929 518 K CB -0.546 31.928 32.500 -0.044 0.000 0.713 518 K HN 0.691 nan 8.250 nan 0.000 0.439 519 T N -1.419 113.120 114.554 -0.024 0.000 3.043 519 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 519 T C 1.989 176.713 174.700 0.038 0.000 1.094 519 T CA 1.062 63.169 62.100 0.011 0.000 1.127 519 T CB -0.063 68.822 68.868 0.029 0.000 0.905 519 T HN 0.164 nan 8.240 nan 0.000 0.490 520 S N 1.613 117.320 115.700 0.013 0.000 2.496 520 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 520 S C 1.076 175.659 174.600 -0.028 0.000 0.996 520 S CA 0.135 58.356 58.200 0.034 0.000 0.927 520 S CB -0.639 62.537 63.200 -0.039 0.000 0.774 520 S HN 0.524 nan 8.310 nan 0.000 0.524 521 N N 1.535 120.150 118.700 -0.141 0.000 2.714 521 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 521 N C -1.177 174.162 175.510 -0.285 0.000 1.117 521 N CA 1.061 53.910 53.050 -0.336 0.000 0.719 521 N CB -1.323 36.696 38.487 -0.780 0.000 1.081 521 N HN 0.729 nan 8.380 nan 0.000 0.557 522 E N 0.963 121.033 120.200 -0.217 0.000 2.073 522 E HA 0.258 4.608 4.350 -0.000 0.000 0.269 522 E C -2.368 174.150 176.600 -0.137 0.000 0.917 522 E CA -1.581 54.659 56.400 -0.267 0.000 0.757 522 E CB 1.210 30.526 29.700 -0.639 0.000 1.111 522 E HN 0.104 nan 8.360 nan 0.000 0.410 523 P HA 0.115 nan 4.420 nan 0.000 0.281 523 P C -0.562 176.690 177.300 -0.080 0.000 1.252 523 P CA -0.206 62.730 63.100 -0.273 0.000 0.778 523 P CB 1.111 32.320 31.700 -0.818 0.000 0.895 524 V N 3.754 123.628 119.914 -0.067 0.000 2.962 524 V HA 0.506 4.626 4.120 -0.000 0.000 0.313 524 V C -0.834 175.379 176.094 0.198 0.000 1.099 524 V CA -0.627 61.729 62.300 0.094 0.000 0.971 524 V CB 3.097 34.953 31.823 0.055 0.000 1.028 524 V HN 0.648 nan 8.190 nan 0.000 0.430 525 W N 3.024 124.361 121.300 0.063 0.000 2.839 525 W HA 0.389 5.049 4.660 0.000 0.000 0.334 525 W C -1.448 175.112 176.519 0.069 0.000 1.064 525 W CA -0.885 56.527 57.345 0.111 0.000 1.236 525 W CB 2.000 31.577 29.460 0.194 0.000 1.405 525 W HN 0.766 nan 8.180 nan 0.000 0.478 526 W N 7.776 128.812 121.300 -0.440 0.000 2.368 526 W HA 0.404 5.064 4.660 -0.000 0.000 0.316 526 W C -1.210 175.153 176.519 -0.260 0.000 1.375 526 W CA -0.342 56.782 57.345 -0.369 0.000 1.261 526 W CB -0.029 29.198 29.460 -0.388 0.000 1.298 526 W HN 0.191 nan 8.180 nan 0.000 0.539 527 L N 9.251 130.336 121.223 -0.230 0.000 2.333 527 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 527 L C -1.719 174.951 176.870 -0.333 0.000 1.010 527 L CA -2.283 52.306 54.840 -0.418 0.000 0.818 527 L CB 2.243 43.917 42.059 -0.643 0.000 1.306 527 L HN 0.272 nan 8.230 nan 0.000 0.430 528 P HA 0.288 nan 4.420 nan 0.000 0.286 528 P C -0.926 176.551 177.300 0.295 0.000 1.261 528 P CA -0.331 62.764 63.100 -0.008 0.000 0.821 528 P CB 1.380 33.022 31.700 -0.098 0.000 1.013 529 I N 3.878 124.628 120.570 0.300 0.000 2.281 529 I HA 0.259 4.429 4.170 -0.000 0.000 0.293 529 I C 0.694 176.892 176.117 0.135 0.000 1.085 529 I CA -0.543 60.934 61.300 0.295 0.000 1.257 529 I CB 0.196 38.394 38.000 0.330 0.000 1.430 529 I HN 0.122 nan 8.210 nan 0.000 0.489 530 I N 6.685 127.289 120.570 0.057 0.000 2.308 530 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 530 I C 1.085 177.089 176.117 -0.188 0.000 1.078 530 I CA -0.152 61.045 61.300 -0.171 0.000 1.292 530 I CB 0.431 38.140 38.000 -0.485 0.000 1.423 530 I HN 0.543 nan 8.210 nan 0.000 0.493 531 N N 3.936 122.580 118.700 -0.093 0.000 2.289 531 N HA -0.200 4.540 4.740 -0.000 0.000 0.184 531 N C 1.658 177.133 175.510 -0.059 0.000 1.016 531 N CA 0.867 53.897 53.050 -0.034 0.000 0.872 531 N CB -0.025 38.460 38.487 -0.002 0.000 0.973 531 N HN 0.585 nan 8.380 nan 0.000 0.433 532 E N -0.560 119.544 120.200 -0.160 0.000 2.209 532 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 532 E C 0.631 177.249 176.600 0.030 0.000 0.993 532 E CA 0.998 57.334 56.400 -0.107 0.000 0.819 532 E CB -0.027 29.574 29.700 -0.165 0.000 0.745 532 E HN 0.411 nan 8.360 nan 0.000 0.477 533 Y N -0.415 119.916 120.300 0.053 0.000 2.546 533 Y HA 0.115 4.665 4.550 0.000 0.000 0.287 533 Y C 2.021 177.953 175.900 0.054 0.000 1.158 533 Y CA 0.385 58.517 58.100 0.053 0.000 1.307 533 Y CB -0.355 38.142 38.460 0.062 0.000 1.036 533 Y HN -0.001 nan 8.280 nan 0.000 0.532 534 R N 1.651 122.258 120.500 0.178 0.000 2.105 534 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 534 R C 2.125 178.487 176.300 0.104 0.000 1.135 534 R CA 1.449 57.625 56.100 0.126 0.000 0.967 534 R CB -0.829 29.518 30.300 0.078 0.000 0.861 534 R HN 0.210 nan 8.270 nan 0.000 0.442 535 A N -0.596 122.281 122.820 0.094 0.000 2.070 535 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 535 A C 1.973 179.600 177.584 0.071 0.000 1.159 535 A CA 1.823 53.901 52.037 0.069 0.000 0.656 535 A CB -0.983 18.052 19.000 0.058 0.000 0.800 535 A HN 0.615 nan 8.150 nan 0.000 0.453 536 T N -2.560 112.050 114.554 0.093 0.000 3.118 536 T HA 0.171 4.521 4.350 -0.000 0.000 0.260 536 T C 1.238 175.981 174.700 0.072 0.000 1.139 536 T CA 0.742 62.885 62.100 0.071 0.000 1.085 536 T CB -0.341 68.562 68.868 0.058 0.000 0.934 536 T HN 0.322 nan 8.240 nan 0.000 0.518 537 L N 0.690 121.970 121.223 0.095 0.000 2.611 537 L HA 0.308 4.648 4.340 -0.000 0.000 0.229 537 L C 0.173 177.099 176.870 0.094 0.000 1.137 537 L CA -0.461 54.448 54.840 0.115 0.000 0.901 537 L CB -0.389 41.772 42.059 0.170 0.000 1.098 537 L HN 0.115 nan 8.230 nan 0.000 0.456 538 N N 1.142 119.880 118.700 0.063 0.000 2.438 538 N HA -0.001 4.739 4.740 -0.000 0.000 0.267 538 N C 0.014 175.546 175.510 0.038 0.000 1.222 538 N CA 0.316 53.390 53.050 0.041 0.000 0.930 538 N CB 1.093 39.593 38.487 0.022 0.000 1.083 538 N HN -0.047 nan 8.380 nan 0.000 0.476 539 S N 1.366 117.092 115.700 0.043 0.000 2.554 539 S HA 0.168 4.638 4.470 -0.000 0.000 0.278 539 S C 1.292 175.884 174.600 -0.014 0.000 1.242 539 S CA -0.624 57.605 58.200 0.047 0.000 1.051 539 S CB 1.088 64.341 63.200 0.088 0.000 0.986 539 S HN 0.547 nan 8.310 nan 0.000 0.502 540 K N 3.268 123.636 120.400 -0.055 0.000 2.097 540 K HA 0.013 4.333 4.320 -0.000 0.000 0.205 540 K C 0.743 177.082 176.600 -0.436 0.000 1.050 540 K CA 1.876 58.010 56.287 -0.256 0.000 0.938 540 K CB -0.297 32.017 32.500 -0.309 0.000 0.718 540 K HN 0.781 nan 8.250 nan 0.000 0.442 541 Y N -0.905 119.409 120.300 0.023 0.000 2.559 541 Y HA 0.446 4.996 4.550 0.000 0.000 0.279 541 Y C 0.923 176.840 175.900 0.028 0.000 1.117 541 Y CA 0.070 58.183 58.100 0.022 0.000 1.263 541 Y CB 0.094 38.566 38.460 0.020 0.000 1.230 541 Y HN 0.043 nan 8.280 nan 0.000 0.528 542 A N 0.009 122.932 122.820 0.173 0.000 2.248 542 A HA 0.273 4.593 4.320 -0.000 0.000 0.316 542 A C 0.581 178.217 177.584 0.086 0.000 1.101 542 A CA -0.228 51.887 52.037 0.130 0.000 0.875 542 A CB 0.236 19.322 19.000 0.143 0.000 1.207 542 A HN 0.213 nan 8.150 nan 0.000 0.504 543 D N -0.659 119.786 120.400 0.075 0.000 2.144 543 D HA -0.011 4.629 4.640 -0.000 0.000 0.199 543 D C 0.301 176.631 176.300 0.049 0.000 0.984 543 D CA 1.807 55.831 54.000 0.041 0.000 0.834 543 D CB 0.070 40.880 40.800 0.016 0.000 0.955 543 D HN 0.421 nan 8.370 nan 0.000 0.465 544 I N -0.298 120.334 120.570 0.104 0.000 2.842 544 I HA 0.117 4.287 4.170 -0.000 0.000 0.297 544 I C -1.448 174.797 176.117 0.213 0.000 1.380 544 I CA -0.758 60.631 61.300 0.148 0.000 1.018 544 I CB 1.986 40.074 38.000 0.146 0.000 1.311 544 I HN -0.331 nan 8.210 nan 0.000 0.439 545 N N 5.001 123.819 118.700 0.197 0.000 2.530 545 N HA 0.149 4.889 4.740 -0.000 0.000 0.277 545 N C 0.301 175.931 175.510 0.201 0.000 1.168 545 N CA -0.184 52.965 53.050 0.165 0.000 0.979 545 N CB 1.629 40.179 38.487 0.105 0.000 1.141 545 N HN 0.658 nan 8.380 nan 0.000 0.459 546 Q N 1.610 121.437 119.800 0.045 0.000 2.123 546 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 546 Q C 0.250 176.082 176.000 -0.281 0.000 0.966 546 Q CA 1.071 56.702 55.803 -0.287 0.000 0.845 546 Q CB 0.191 28.797 28.738 -0.220 0.000 0.907 546 Q HN 0.751 nan 8.270 nan 0.000 0.439 547 I N -3.324 117.186 120.570 -0.099 0.000 3.042 547 I HA 0.474 4.644 4.170 -0.000 0.000 0.310 547 I C -0.543 175.567 176.117 -0.013 0.000 1.117 547 I CA -1.195 60.063 61.300 -0.071 0.000 1.003 547 I CB 2.128 40.085 38.000 -0.072 0.000 1.228 547 I HN -0.259 nan 8.210 nan 0.000 0.443 548 S N 1.318 117.011 115.700 -0.012 0.000 2.523 548 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 548 S C 1.011 175.598 174.600 -0.022 0.000 1.281 548 S CA 0.033 58.228 58.200 -0.007 0.000 1.050 548 S CB 0.764 63.949 63.200 -0.027 0.000 0.937 548 S HN 0.835 nan 8.310 nan 0.000 0.492 549 S N 2.891 118.584 115.700 -0.013 0.000 2.548 549 S HA 0.020 4.490 4.470 -0.000 0.000 0.215 549 S C 1.457 176.039 174.600 -0.030 0.000 0.976 549 S CA 0.535 58.723 58.200 -0.020 0.000 0.908 549 S CB -0.121 63.073 63.200 -0.009 0.000 0.781 549 S HN 0.753 nan 8.310 nan 0.000 0.519 550 S N 0.418 116.096 115.700 -0.036 0.000 2.566 550 S HA 0.308 4.778 4.470 -0.000 0.000 0.234 550 S C 0.397 174.943 174.600 -0.090 0.000 1.075 550 S CA -0.122 58.048 58.200 -0.049 0.000 0.926 550 S CB -0.482 62.700 63.200 -0.031 0.000 0.811 550 S HN 0.230 nan 8.310 nan 0.000 0.518 551 V N 3.425 123.259 119.914 -0.133 0.000 2.455 551 V HA 0.295 4.415 4.120 -0.000 0.000 0.273 551 V C 0.812 176.795 176.094 -0.185 0.000 1.045 551 V CA -0.179 61.975 62.300 -0.244 0.000 0.976 551 V CB 1.185 32.736 31.823 -0.454 0.000 0.993 551 V HN 0.409 nan 8.190 nan 0.000 0.475 552 K N 3.367 123.667 120.400 -0.167 0.000 2.459 552 K HA 0.196 4.516 4.320 -0.000 0.000 0.193 552 K C 1.076 177.619 176.600 -0.095 0.000 1.030 552 K CA 0.505 56.723 56.287 -0.115 0.000 1.026 552 K CB 0.288 32.728 32.500 -0.100 0.000 0.809 552 K HN 0.744 nan 8.250 nan 0.000 0.504 553 A N 1.382 124.126 122.820 -0.126 0.000 2.981 553 A HA 0.101 4.420 4.320 -0.000 0.000 0.280 553 A C 0.979 178.566 177.584 0.005 0.000 1.743 553 A CA -0.048 51.968 52.037 -0.035 0.000 1.430 553 A CB -0.240 18.756 19.000 -0.005 0.000 1.085 553 A HN 0.072 nan 8.150 nan 0.000 0.597 554 S N 0.638 116.345 115.700 0.012 0.000 2.368 554 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 554 S C 2.305 176.928 174.600 0.039 0.000 1.030 554 S CA 1.988 60.198 58.200 0.017 0.000 0.999 554 S CB -0.045 63.167 63.200 0.020 0.000 0.844 554 S HN 0.811 nan 8.310 nan 0.000 0.459 555 S N 1.472 117.222 115.700 0.083 0.000 2.402 555 S HA 0.054 4.524 4.470 -0.000 0.000 0.229 555 S C 1.748 176.282 174.600 -0.110 0.000 1.021 555 S CA 0.840 59.074 58.200 0.057 0.000 0.974 555 S CB -0.344 63.002 63.200 0.244 0.000 0.800 555 S HN 0.431 nan 8.310 nan 0.000 0.484 556 I N 1.093 121.712 120.570 0.081 0.000 2.233 556 I HA -0.103 4.067 4.170 -0.000 0.000 0.243 556 I C 2.168 178.354 176.117 0.115 0.000 1.093 556 I CA 0.808 62.190 61.300 0.137 0.000 1.380 556 I CB -0.464 37.760 38.000 0.374 0.000 1.067 556 I HN 0.140 nan 8.210 nan 0.000 0.413 557 V N 1.237 121.221 119.914 0.117 0.000 2.343 557 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 557 V C 2.735 178.892 176.094 0.105 0.000 1.051 557 V CA 2.021 64.393 62.300 0.119 0.000 1.036 557 V CB -1.038 30.819 31.823 0.057 0.000 0.654 557 V HN 0.490 nan 8.190 nan 0.000 0.451 558 A N -0.296 122.546 122.820 0.036 0.000 1.933 558 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 558 A C 2.474 180.085 177.584 0.044 0.000 1.175 558 A CA 2.151 54.207 52.037 0.032 0.000 0.628 558 A CB -0.636 18.351 19.000 -0.021 0.000 0.814 558 A HN 0.522 nan 8.150 nan 0.000 0.444 559 S N -0.261 115.399 115.700 -0.066 0.000 2.368 559 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 559 S C 1.757 176.487 174.600 0.215 0.000 1.030 559 S CA 1.302 59.511 58.200 0.015 0.000 0.999 559 S CB -0.357 62.740 63.200 -0.172 0.000 0.844 559 S HN 0.356 nan 8.310 nan 0.000 0.459 560 L N 0.743 122.078 121.223 0.187 0.000 2.042 560 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 560 L C 1.917 178.886 176.870 0.165 0.000 1.076 560 L CA 1.481 56.434 54.840 0.188 0.000 0.749 560 L CB -1.155 41.020 42.059 0.193 0.000 0.893 560 L HN 0.322 nan 8.230 nan 0.000 0.432 561 F N -0.432 119.563 119.950 0.075 0.000 2.075 561 F HA -0.228 4.299 4.527 0.000 0.000 0.297 561 F C 2.246 178.142 175.800 0.161 0.000 1.113 561 F CA 1.537 59.605 58.000 0.113 0.000 1.218 561 F CB -0.206 38.850 39.000 0.094 0.000 0.984 561 F HN -0.027 nan 8.300 nan 0.000 0.472 562 L N 0.418 121.742 121.223 0.168 0.000 2.079 562 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 562 L C 2.495 179.153 176.870 -0.354 0.000 1.081 562 L CA 1.835 56.654 54.840 -0.035 0.000 0.752 562 L CB -0.844 41.216 42.059 0.001 0.000 0.896 562 L HN 0.156 nan 8.230 nan 0.000 0.433 563 K N 0.244 120.429 120.400 -0.358 0.000 2.152 563 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 563 K C 1.877 178.255 176.600 -0.369 0.000 1.048 563 K CA 1.194 57.191 56.287 -0.483 0.000 0.933 563 K CB 0.081 32.569 32.500 -0.020 0.000 0.721 563 K HN 0.240 nan 8.250 nan 0.000 0.447 564 E N -0.352 119.639 120.200 -0.349 0.000 2.401 564 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 564 E C 0.809 176.929 176.600 -0.800 0.000 1.023 564 E CA 0.920 56.989 56.400 -0.552 0.000 0.859 564 E CB -0.010 29.252 29.700 -0.731 0.000 0.780 564 E HN 0.409 nan 8.360 nan 0.000 0.523 565 F N -0.239 119.456 119.950 -0.424 0.000 2.639 565 F HA 0.129 4.656 4.527 0.000 0.000 0.302 565 F C 0.389 175.992 175.800 -0.328 0.000 1.097 565 F CA -0.144 57.651 58.000 -0.343 0.000 1.294 565 F CB 0.868 39.671 39.000 -0.328 0.000 1.027 565 F HN -0.316 nan 8.300 nan 0.000 0.550 566 V N 0.126 119.862 119.914 -0.297 0.000 2.407 566 V HA 0.154 4.274 4.120 -0.000 0.000 0.291 566 V C 0.308 176.304 176.094 -0.164 0.000 1.018 566 V CA -0.319 61.833 62.300 -0.247 0.000 0.842 566 V CB 1.371 32.964 31.823 -0.383 0.000 0.996 566 V HN 0.069 nan 8.190 nan 0.000 0.426 567 Q N 1.971 121.707 119.800 -0.106 0.000 2.226 567 Q HA 0.159 4.499 4.340 -0.000 0.000 0.199 567 Q C 1.143 177.120 176.000 -0.038 0.000 0.945 567 Q CA 0.794 56.547 55.803 -0.083 0.000 0.861 567 Q CB 0.230 28.921 28.738 -0.078 0.000 0.953 567 Q HN 0.816 nan 8.270 nan 0.000 0.490 568 N N -0.504 118.186 118.700 -0.016 0.000 2.217 568 N HA 0.154 4.894 4.740 -0.000 0.000 0.239 568 N C -1.100 174.428 175.510 0.030 0.000 1.330 568 N CA 0.208 53.261 53.050 0.006 0.000 0.838 568 N CB 1.884 40.366 38.487 -0.009 0.000 1.287 568 N HN 0.225 nan 8.380 nan 0.000 0.498 569 T N 0.184 114.775 114.554 0.062 0.000 2.886 569 T HA 0.522 4.872 4.350 -0.000 0.000 0.292 569 T C -0.121 174.690 174.700 0.185 0.000 1.012 569 T CA -0.509 61.649 62.100 0.096 0.000 0.982 569 T CB 2.445 71.365 68.868 0.087 0.000 1.018 569 T HN 0.148 nan 8.240 nan 0.000 0.451 570 A N 2.458 125.401 122.820 0.205 0.000 2.546 570 A HA 0.432 4.752 4.320 -0.000 0.000 0.243 570 A C -0.710 177.099 177.584 0.375 0.000 1.063 570 A CA 0.002 52.211 52.037 0.287 0.000 0.757 570 A CB -0.288 18.924 19.000 0.353 0.000 0.991 570 A HN 0.877 nan 8.150 nan 0.000 0.503 571 W N 2.215 123.587 121.300 0.121 0.000 3.259 571 W HA 0.593 5.253 4.660 -0.000 0.000 0.331 571 W C -0.694 175.872 176.519 0.078 0.000 1.144 571 W CA 0.054 57.460 57.345 0.102 0.000 1.227 571 W CB 1.139 30.657 29.460 0.097 0.000 1.371 571 W HN 0.958 nan 8.180 nan 0.000 0.491 572 A N 3.763 126.131 122.820 -0.754 0.000 2.469 572 A HA 0.718 5.038 4.320 -0.000 0.000 0.299 572 A C -2.144 174.947 177.584 -0.821 0.000 1.098 572 A CA -0.680 50.840 52.037 -0.863 0.000 0.737 572 A CB 1.627 20.329 19.000 -0.498 0.000 1.312 572 A HN 0.939 nan 8.150 nan 0.000 0.414 573 H N 0.605 119.286 119.070 -0.647 0.000 2.840 573 H HA 0.643 5.199 4.556 -0.000 0.000 0.340 573 H C -1.696 173.637 175.328 0.008 0.000 1.004 573 H CA -0.663 55.250 56.048 -0.224 0.000 1.288 573 H CB 0.676 30.369 29.762 -0.114 0.000 1.607 573 H HN 0.472 nan 8.280 nan 0.000 0.522 574 I N 4.487 124.860 120.570 -0.328 0.000 2.307 574 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 574 I C -0.242 175.693 176.117 -0.303 0.000 1.021 574 I CA -0.557 60.597 61.300 -0.243 0.000 1.224 574 I CB 1.067 39.015 38.000 -0.087 0.000 1.376 574 I HN 0.575 nan 8.210 nan 0.000 0.470 575 D N 7.709 127.977 120.400 -0.221 0.000 2.359 575 D HA 0.277 4.917 4.640 -0.000 0.000 0.230 575 D C 0.526 176.815 176.300 -0.018 0.000 1.118 575 D CA -0.336 53.621 54.000 -0.072 0.000 0.844 575 D CB 1.176 42.039 40.800 0.106 0.000 1.059 575 D HN 0.572 nan 8.370 nan 0.000 0.493 576 I N 0.876 121.421 120.570 -0.042 0.000 3.914 576 I HA 0.352 4.522 4.170 -0.000 0.000 0.333 576 I C 1.608 177.702 176.117 -0.039 0.000 1.449 576 I CA -0.566 60.667 61.300 -0.111 0.000 1.135 576 I CB 0.579 38.517 38.000 -0.103 0.000 1.073 576 I HN 0.195 nan 8.210 nan 0.000 0.401 577 A N 2.088 124.927 122.820 0.032 0.000 1.927 577 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 577 A C 2.307 180.035 177.584 0.239 0.000 1.185 577 A CA 2.288 54.410 52.037 0.141 0.000 0.639 577 A CB -1.324 17.771 19.000 0.158 0.000 0.820 577 A HN 0.577 nan 8.150 nan 0.000 0.451 578 G N -1.034 107.850 108.800 0.139 0.000 2.430 578 G HA2 0.051 4.011 3.960 -0.000 0.000 0.216 578 G HA3 0.051 4.011 3.960 -0.000 0.000 0.216 578 G C 1.417 176.408 174.900 0.151 0.000 1.146 578 G CA 1.483 46.670 45.100 0.145 0.000 0.793 578 G HN 1.092 nan 8.290 nan 0.000 0.537 579 V N -2.198 117.712 119.914 -0.006 0.000 3.565 579 V HA 0.204 4.324 4.120 -0.000 0.000 0.260 579 V C 2.409 178.490 176.094 -0.021 0.000 1.231 579 V CA 1.440 63.664 62.300 -0.127 0.000 1.100 579 V CB 0.285 31.725 31.823 -0.638 0.000 0.807 579 V HN 0.255 nan 8.190 nan 0.000 0.454 580 S N -0.229 115.534 115.700 0.105 0.000 2.368 580 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 580 S C 0.697 175.469 174.600 0.285 0.000 1.030 580 S CA 0.807 59.131 58.200 0.207 0.000 0.999 580 S CB -0.262 63.058 63.200 0.199 0.000 0.844 580 S HN 0.817 nan 8.310 nan 0.000 0.459 581 W N 2.767 124.108 121.300 0.070 0.000 2.433 581 W HA 0.425 5.085 4.660 -0.000 0.000 0.315 581 W C -0.616 175.702 176.519 -0.334 0.000 1.087 581 W CA -0.954 56.263 57.345 -0.214 0.000 1.205 581 W CB 0.756 29.837 29.460 -0.632 0.000 1.288 581 W HN 0.148 nan 8.180 nan 0.000 0.504 582 N N 5.435 123.712 118.700 -0.706 0.000 2.439 582 N HA 0.042 4.782 4.740 -0.000 0.000 0.243 582 N C 0.600 175.827 175.510 -0.472 0.000 1.088 582 N CA -0.005 52.795 53.050 -0.416 0.000 0.940 582 N CB -0.083 38.223 38.487 -0.301 0.000 1.180 582 N HN 0.312 nan 8.380 nan 0.000 0.505 583 F N 2.329 122.317 119.950 0.062 0.000 2.171 583 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 583 F C 2.120 177.971 175.800 0.085 0.000 1.090 583 F CA 1.133 59.242 58.000 0.183 0.000 1.293 583 F CB 0.160 39.258 39.000 0.163 0.000 1.013 583 F HN 0.414 nan 8.300 nan 0.000 0.486 584 K N -0.204 120.312 120.400 0.194 0.000 2.057 584 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 584 K C 2.057 178.691 176.600 0.057 0.000 1.050 584 K CA 1.216 57.573 56.287 0.118 0.000 0.935 584 K CB -0.314 32.240 32.500 0.090 0.000 0.715 584 K HN 0.221 nan 8.250 nan 0.000 0.439 585 A N 0.494 123.308 122.820 -0.010 0.000 2.267 585 A HA 0.081 4.401 4.320 -0.000 0.000 0.213 585 A C 0.090 177.622 177.584 -0.088 0.000 1.192 585 A CA -0.048 51.965 52.037 -0.041 0.000 0.851 585 A CB -0.026 18.944 19.000 -0.049 0.000 0.881 585 A HN 0.305 nan 8.150 nan 0.000 0.494 586 R N -1.025 119.404 120.500 -0.118 0.000 3.418 586 R HA -0.165 4.175 4.340 -0.000 0.000 0.274 586 R C -0.496 175.640 176.300 -0.273 0.000 1.108 586 R CA 1.333 57.426 56.100 -0.012 0.000 0.741 586 R CB -2.350 28.016 30.300 0.110 0.000 1.223 586 R HN 0.846 nan 8.270 nan 0.000 0.434 587 K N -2.058 117.769 120.400 -0.955 0.000 2.579 587 K HA 0.613 4.933 4.320 -0.000 0.000 0.284 587 K C -3.298 172.435 176.600 -1.445 0.000 0.990 587 K CA -2.170 53.467 56.287 -1.083 0.000 0.880 587 K CB 2.524 34.780 32.500 -0.406 0.000 1.488 587 K HN -0.294 nan 8.250 nan 0.000 0.425 588 P HA 0.185 nan 4.420 nan 0.000 0.274 588 P C -0.479 176.753 177.300 -0.114 0.000 1.237 588 P CA -0.568 62.311 63.100 -0.367 0.000 0.793 588 P CB 0.661 32.343 31.700 -0.031 0.000 0.977 589 K N 0.812 121.196 120.400 -0.027 0.000 2.361 589 K HA 0.118 4.438 4.320 -0.000 0.000 0.196 589 K C 1.105 177.649 176.600 -0.092 0.000 1.039 589 K CA 0.634 56.920 56.287 -0.001 0.000 1.001 589 K CB -0.400 32.149 32.500 0.083 0.000 0.795 589 K HN 0.821 nan 8.250 nan 0.000 0.495 590 G N 2.546 111.348 108.800 0.002 0.000 2.249 590 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.273 590 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.273 590 G C -0.105 174.779 174.900 -0.026 0.000 1.036 590 G CA -0.064 45.010 45.100 -0.042 0.000 0.824 590 G HN 0.381 nan 8.290 nan 0.000 0.504 591 F N 0.480 120.386 119.950 -0.074 0.000 2.578 591 F HA 0.405 4.932 4.527 -0.000 0.000 0.376 591 F C 1.545 177.318 175.800 -0.046 0.000 1.085 591 F CA 1.646 59.614 58.000 -0.052 0.000 1.260 591 F CB 0.650 39.645 39.000 -0.008 0.000 1.095 591 F HN 0.866 nan 8.300 nan 0.000 0.573 592 G N 3.278 111.826 108.800 -0.419 0.000 2.259 592 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 592 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 592 G C 0.798 175.594 174.900 -0.174 0.000 1.001 592 G CA 0.036 44.998 45.100 -0.230 0.000 0.627 592 G HN 0.661 nan 8.290 nan 0.000 0.501 593 V N 1.316 121.137 119.914 -0.155 0.000 2.252 593 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 593 V C 2.895 178.840 176.094 -0.248 0.000 1.056 593 V CA 3.021 65.238 62.300 -0.138 0.000 1.022 593 V CB -0.569 31.182 31.823 -0.121 0.000 0.641 593 V HN 0.536 nan 8.190 nan 0.000 0.445 594 R N -0.698 119.602 120.500 -0.332 0.000 2.073 594 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 594 R C 2.235 178.365 176.300 -0.284 0.000 1.120 594 R CA 1.255 57.076 56.100 -0.465 0.000 0.967 594 R CB -0.556 29.559 30.300 -0.309 0.000 0.862 594 R HN 0.418 nan 8.270 nan 0.000 0.436 595 L N 1.391 122.466 121.223 -0.246 0.000 1.990 595 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 595 L C 1.946 178.776 176.870 -0.067 0.000 1.072 595 L CA 1.782 56.524 54.840 -0.164 0.000 0.755 595 L CB -0.447 41.479 42.059 -0.222 0.000 0.889 595 L HN 0.135 nan 8.230 nan 0.000 0.432 596 L N -1.110 120.077 121.223 -0.061 0.000 2.012 596 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 596 L C 2.394 179.327 176.870 0.104 0.000 1.073 596 L CA 1.938 56.809 54.840 0.052 0.000 0.748 596 L CB -1.228 40.866 42.059 0.060 0.000 0.891 596 L HN 0.337 nan 8.230 nan 0.000 0.431 597 T N -1.128 113.413 114.554 -0.023 0.000 2.746 597 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 597 T C 1.792 176.523 174.700 0.052 0.000 1.039 597 T CA 1.043 63.129 62.100 -0.023 0.000 1.142 597 T CB -0.132 68.605 68.868 -0.219 0.000 0.866 597 T HN 0.287 nan 8.240 nan 0.000 0.444 598 E N 0.581 120.814 120.200 0.055 0.000 2.153 598 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 598 E C 1.865 178.521 176.600 0.093 0.000 0.988 598 E CA 0.650 57.117 56.400 0.112 0.000 0.811 598 E CB -0.386 29.377 29.700 0.104 0.000 0.746 598 E HN 0.529 nan 8.360 nan 0.000 0.466 599 F N 1.660 121.584 119.950 -0.043 0.000 2.069 599 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 599 F C 2.252 178.032 175.800 -0.034 0.000 1.113 599 F CA 1.216 59.179 58.000 -0.062 0.000 1.214 599 F CB -0.521 38.425 39.000 -0.090 0.000 0.978 599 F HN -0.219 nan 8.300 nan 0.000 0.474 600 V N 0.336 120.154 119.914 -0.160 0.000 2.287 600 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 600 V C 2.451 178.444 176.094 -0.169 0.000 1.053 600 V CA 1.799 63.959 62.300 -0.233 0.000 1.027 600 V CB -0.813 30.983 31.823 -0.046 0.000 0.646 600 V HN 0.314 nan 8.190 nan 0.000 0.447 601 L N 0.301 121.483 121.223 -0.069 0.000 2.017 601 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 601 L C 2.247 179.087 176.870 -0.050 0.000 1.073 601 L CA 1.753 56.575 54.840 -0.031 0.000 0.745 601 L CB -1.395 40.686 42.059 0.037 0.000 0.894 601 L HN 0.337 nan 8.230 nan 0.000 0.432 602 N N -0.477 118.187 118.700 -0.060 0.000 2.149 602 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 602 N C 0.796 176.247 175.510 -0.098 0.000 1.019 602 N CA 0.684 53.697 53.050 -0.062 0.000 0.857 602 N CB -0.357 38.104 38.487 -0.043 0.000 0.997 602 N HN 0.356 nan 8.380 nan 0.000 0.426 603 D N 0.000 120.289 120.400 -0.185 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.898 54.000 -0.170 0.000 0.868 603 D CB 0.000 40.614 40.800 -0.309 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683