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 3kr4_1_A 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 TDKNVXMEYI 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 0.000 177.620 177.584 0.061 0.000 1.274 85 A CA 0.000 52.070 52.037 0.055 0.000 0.836 85 A CB 0.000 19.026 19.000 0.044 0.000 0.831 86 S N 1.353 117.089 115.700 0.061 0.000 2.654 86 S HA 0.498 4.968 4.470 -0.000 0.000 0.283 86 S C -0.054 174.580 174.600 0.055 0.000 1.180 86 S CA -0.695 57.542 58.200 0.061 0.000 1.021 86 S CB 1.038 64.280 63.200 0.070 0.000 1.018 86 S HN 0.684 nan 8.310 nan 0.000 0.532 87 E N 1.518 121.750 120.200 0.054 0.000 2.324 87 E HA 0.119 4.469 4.350 -0.000 0.000 0.271 87 E C -0.655 175.986 176.600 0.069 0.000 1.028 87 E CA -0.072 56.360 56.400 0.052 0.000 0.890 87 E CB 0.746 30.472 29.700 0.044 0.000 1.004 87 E HN 0.252 nan 8.360 nan 0.000 0.431 88 V N 6.941 126.897 119.914 0.071 0.000 2.470 88 V HA 0.090 4.210 4.120 -0.000 0.000 0.276 88 V C -1.592 174.571 176.094 0.116 0.000 1.040 88 V CA -1.194 61.169 62.300 0.106 0.000 1.008 88 V CB 0.474 32.341 31.823 0.073 0.000 0.990 88 V HN 0.554 nan 8.190 nan 0.000 0.477 89 P HA 0.316 nan 4.420 nan 0.000 0.274 89 P C -0.945 176.396 177.300 0.068 0.000 1.231 89 P CA -0.471 62.670 63.100 0.069 0.000 0.790 89 P CB 1.016 32.717 31.700 0.002 0.000 0.951 90 Q N 0.255 120.063 119.800 0.013 0.000 2.413 90 Q HA 0.337 4.677 4.340 -0.000 0.000 0.276 90 Q C 0.618 176.599 176.000 -0.031 0.000 1.099 90 Q CA -0.972 54.832 55.803 0.003 0.000 0.814 90 Q CB 2.401 31.140 28.738 0.001 0.000 1.379 90 Q HN 0.063 nan 8.270 nan 0.000 0.436 91 V N 0.271 120.162 119.914 -0.039 0.000 2.492 91 V HA 0.037 4.157 4.120 -0.000 0.000 0.241 91 V C 0.613 176.687 176.094 -0.033 0.000 1.041 91 V CA 0.572 62.844 62.300 -0.047 0.000 1.057 91 V CB 0.579 32.369 31.823 -0.055 0.000 0.711 91 V HN 0.634 nan 8.190 nan 0.000 0.468 92 V N -2.024 117.872 119.914 -0.030 0.000 3.046 92 V HA 0.576 4.696 4.120 -0.000 0.000 0.316 92 V C 1.231 177.313 176.094 -0.021 0.000 1.104 92 V CA 0.126 62.412 62.300 -0.024 0.000 1.006 92 V CB 1.386 33.194 31.823 -0.024 0.000 1.058 92 V HN 0.259 nan 8.190 nan 0.000 0.440 93 S N 1.179 116.870 115.700 -0.015 0.000 2.474 93 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 93 S C 1.357 175.948 174.600 -0.015 0.000 0.997 93 S CA 1.322 59.515 58.200 -0.012 0.000 0.949 93 S CB -0.779 62.417 63.200 -0.006 0.000 0.766 93 S HN 0.731 nan 8.310 nan 0.000 0.517 94 L N 0.939 122.150 121.223 -0.020 0.000 2.554 94 L HA 0.182 4.522 4.340 -0.000 0.000 0.226 94 L C 0.088 176.926 176.870 -0.052 0.000 1.137 94 L CA 0.012 54.838 54.840 -0.024 0.000 0.863 94 L CB -0.541 41.508 42.059 -0.017 0.000 0.985 94 L HN 0.180 nan 8.230 nan 0.000 0.451 95 D N 2.220 122.585 120.400 -0.059 0.000 2.425 95 D HA 0.118 4.758 4.640 -0.000 0.000 0.247 95 D C -1.988 174.236 176.300 -0.125 0.000 1.147 95 D CA -1.033 52.908 54.000 -0.098 0.000 0.879 95 D CB 0.762 41.530 40.800 -0.054 0.000 1.179 95 D HN 0.002 nan 8.370 nan 0.000 0.456 96 P HA 0.062 nan 4.420 nan 0.000 0.272 96 P C 0.398 177.626 177.300 -0.120 0.000 1.223 96 P CA -0.194 62.758 63.100 -0.247 0.000 0.784 96 P CB 0.611 31.897 31.700 -0.691 0.000 0.923 97 T N -2.935 111.599 114.554 -0.033 0.000 3.132 97 T HA 0.330 4.680 4.350 -0.000 0.000 0.274 97 T C 0.338 175.056 174.700 0.030 0.000 1.011 97 T CA -0.205 61.897 62.100 0.005 0.000 0.899 97 T CB -0.527 68.352 68.868 0.018 0.000 1.089 97 T HN 0.599 nan 8.240 nan 0.000 0.543 98 S N 0.302 116.038 115.700 0.060 0.000 2.587 98 S HA 0.642 5.112 4.470 -0.000 0.000 0.269 98 S C -1.299 173.405 174.600 0.172 0.000 1.154 98 S CA -1.201 57.052 58.200 0.088 0.000 0.824 98 S CB 0.636 63.883 63.200 0.078 0.000 1.118 98 S HN 0.282 nan 8.310 nan 0.000 0.462 99 I N 2.753 123.404 120.570 0.135 0.000 2.342 99 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 99 I C -1.998 174.153 176.117 0.057 0.000 1.010 99 I CA -2.084 59.306 61.300 0.150 0.000 1.308 99 I CB 1.169 39.203 38.000 0.058 0.000 1.400 99 I HN 0.511 nan 8.210 nan 0.000 0.488 100 P HA 0.278 nan 4.420 nan 0.000 0.271 100 P C -0.852 176.341 177.300 -0.178 0.000 1.216 100 P CA 0.108 63.133 63.100 -0.126 0.000 0.771 100 P CB 1.219 32.738 31.700 -0.302 0.000 0.864 101 I N 1.535 122.012 120.570 -0.154 0.000 2.569 101 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 101 I C 0.178 176.148 176.117 -0.244 0.000 1.088 101 I CA -0.681 60.460 61.300 -0.265 0.000 1.047 101 I CB 2.539 40.321 38.000 -0.365 0.000 1.237 101 I HN 0.406 nan 8.210 nan 0.000 0.421 102 E N 4.846 124.934 120.200 -0.186 0.000 2.115 102 E HA 0.297 4.647 4.350 -0.000 0.000 0.282 102 E C -0.716 175.882 176.600 -0.003 0.000 0.987 102 E CA -0.196 56.182 56.400 -0.037 0.000 0.797 102 E CB 1.008 30.740 29.700 0.054 0.000 1.086 102 E HN 0.482 nan 8.360 nan 0.000 0.397 103 Y N 2.301 122.639 120.300 0.062 0.000 2.396 103 Y HA 0.113 4.663 4.550 0.000 0.000 0.292 103 Y C 0.798 176.449 175.900 -0.415 0.000 1.128 103 Y CA -0.141 57.860 58.100 -0.165 0.000 1.194 103 Y CB 0.458 38.797 38.460 -0.202 0.000 1.124 103 Y HN 0.415 nan 8.280 nan 0.000 0.543 104 N N 1.875 120.530 118.700 -0.075 0.000 2.663 104 N HA 0.069 4.809 4.740 -0.000 0.000 0.250 104 N C -0.167 175.331 175.510 -0.020 0.000 1.129 104 N CA 0.171 53.132 53.050 -0.148 0.000 0.995 104 N CB 0.490 38.913 38.487 -0.107 0.000 1.324 104 N HN 0.246 nan 8.380 nan 0.000 0.512 105 T N -1.450 113.190 114.554 0.142 0.000 2.874 105 T HA 0.346 4.696 4.350 -0.000 0.000 0.281 105 T C -1.650 172.966 174.700 -0.139 0.000 0.994 105 T CA -1.671 60.454 62.100 0.041 0.000 1.015 105 T CB 1.874 70.813 68.868 0.118 0.000 1.028 105 T HN -0.007 nan 8.240 nan 0.000 0.523 106 P HA -0.024 nan 4.420 nan 0.000 0.219 106 P C 1.569 178.555 177.300 -0.523 0.000 1.146 106 P CA 0.460 63.220 63.100 -0.566 0.000 0.808 106 P CB -0.119 30.846 31.700 -1.224 0.000 0.779 107 I N -1.006 119.204 120.570 -0.600 0.000 2.286 107 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 107 I C 1.978 177.715 176.117 -0.633 0.000 1.115 107 I CA 1.670 62.541 61.300 -0.714 0.000 1.392 107 I CB -1.917 35.399 38.000 -1.139 0.000 1.065 107 I HN 0.154 nan 8.210 nan 0.000 0.418 108 H N 0.626 119.510 119.070 -0.312 0.000 2.489 108 H HA -0.100 4.456 4.556 -0.000 0.000 0.293 108 H C 1.445 176.651 175.328 -0.204 0.000 1.066 108 H CA 1.232 57.145 56.048 -0.224 0.000 1.305 108 H CB -0.014 29.653 29.762 -0.159 0.000 1.386 108 H HN 0.307 nan 8.280 nan 0.000 0.551 109 D N 0.224 120.548 120.400 -0.126 0.000 2.347 109 D HA 0.014 4.654 4.640 -0.000 0.000 0.213 109 D C 0.323 176.530 176.300 -0.155 0.000 0.985 109 D CA 0.309 54.236 54.000 -0.123 0.000 0.879 109 D CB 0.125 40.848 40.800 -0.127 0.000 0.919 109 D HN 0.363 nan 8.370 nan 0.000 0.526 110 I N 1.569 122.020 120.570 -0.199 0.000 2.533 110 I HA -0.017 4.153 4.170 -0.000 0.000 0.284 110 I C 0.724 176.776 176.117 -0.108 0.000 1.109 110 I CA 0.115 61.316 61.300 -0.166 0.000 1.412 110 I CB 0.523 38.426 38.000 -0.161 0.000 1.396 110 I HN -0.438 nan 8.210 nan 0.000 0.543 111 K N 5.743 126.103 120.400 -0.067 0.000 2.248 111 K HA 0.447 4.767 4.320 -0.000 0.000 0.281 111 K C -0.907 175.747 176.600 0.090 0.000 1.054 111 K CA -0.505 55.803 56.287 0.036 0.000 0.903 111 K CB 1.547 34.126 32.500 0.131 0.000 1.077 111 K HN 0.334 nan 8.250 nan 0.000 0.474 112 V N 4.211 124.165 119.914 0.067 0.000 2.394 112 V HA 0.193 4.313 4.120 -0.000 0.000 0.282 112 V C -0.220 175.878 176.094 0.007 0.000 1.031 112 V CA -0.769 61.580 62.300 0.082 0.000 0.881 112 V CB 1.432 33.335 31.823 0.133 0.000 0.982 112 V HN 0.661 nan 8.190 nan 0.000 0.451 113 Q N 3.428 123.191 119.800 -0.062 0.000 2.330 113 Q HA 0.570 4.910 4.340 -0.000 0.000 0.269 113 Q C -1.193 174.495 176.000 -0.521 0.000 1.022 113 Q CA -0.522 55.093 55.803 -0.313 0.000 0.796 113 Q CB 2.761 31.282 28.738 -0.362 0.000 1.271 113 Q HN 0.541 nan 8.270 nan 0.000 0.450 114 V N 3.753 123.342 119.914 -0.541 0.000 2.435 114 V HA 0.493 4.613 4.120 -0.000 0.000 0.290 114 V C -0.990 174.724 176.094 -0.633 0.000 1.030 114 V CA -0.580 61.458 62.300 -0.438 0.000 0.881 114 V CB 0.760 32.471 31.823 -0.186 0.000 0.983 114 V HN 0.601 nan 8.190 nan 0.000 0.445 115 Y N 1.193 121.300 120.300 -0.322 0.000 2.536 115 Y HA 0.449 4.999 4.550 -0.000 0.000 0.347 115 Y C 0.145 175.930 175.900 -0.193 0.000 1.000 115 Y CA -1.039 56.862 58.100 -0.330 0.000 1.051 115 Y CB 1.417 39.469 38.460 -0.679 0.000 1.259 115 Y HN 0.520 nan 8.280 nan 0.000 0.468 116 D N 1.924 122.381 120.400 0.096 0.000 2.312 116 D HA 0.156 4.796 4.640 -0.000 0.000 0.252 116 D C 1.037 177.454 176.300 0.194 0.000 1.150 116 D CA 0.248 54.309 54.000 0.101 0.000 0.870 116 D CB 1.161 42.003 40.800 0.069 0.000 1.153 116 D HN 0.690 nan 8.370 nan 0.000 0.457 117 I N 2.923 123.616 120.570 0.205 0.000 2.399 117 I HA -0.320 3.850 4.170 -0.000 0.000 0.254 117 I C 2.338 178.545 176.117 0.149 0.000 1.146 117 I CA 0.832 62.268 61.300 0.226 0.000 1.412 117 I CB 0.033 38.134 38.000 0.167 0.000 1.076 117 I HN 0.251 nan 8.210 nan 0.000 0.432 118 K N 0.199 120.666 120.400 0.112 0.000 2.280 118 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 118 K C 1.879 178.526 176.600 0.078 0.000 1.047 118 K CA 0.975 57.310 56.287 0.079 0.000 0.942 118 K CB -1.078 31.459 32.500 0.061 0.000 0.739 118 K HN 0.698 nan 8.250 nan 0.000 0.457 119 G N -0.336 108.525 108.800 0.103 0.000 2.813 119 G HA2 0.381 4.341 3.960 -0.000 0.000 0.209 119 G HA3 0.381 4.341 3.960 -0.000 0.000 0.209 119 G C 0.661 175.610 174.900 0.082 0.000 1.150 119 G CA 0.350 45.504 45.100 0.090 0.000 0.785 119 G HN 0.792 nan 8.290 nan 0.000 0.535 120 G N -1.639 107.213 108.800 0.086 0.000 2.712 120 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 120 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 120 G C -0.283 174.597 174.900 -0.033 0.000 1.321 120 G CA -0.551 44.564 45.100 0.025 0.000 0.813 120 G HN 0.727 nan 8.290 nan 0.000 0.599 121 C N 1.857 121.020 119.300 -0.229 0.000 2.330 121 C HA 0.613 5.073 4.460 -0.000 0.000 0.344 121 C C 0.429 175.254 174.990 -0.276 0.000 1.273 121 C CA -1.361 57.292 59.018 -0.608 0.000 1.879 121 C CB 0.587 27.805 27.740 -0.870 0.000 2.376 121 C HN 0.697 nan 8.230 nan 0.000 0.534 122 N N 1.397 119.982 118.700 -0.192 0.000 2.472 122 N HA 0.417 5.157 4.740 -0.000 0.000 0.277 122 N C -0.872 174.575 175.510 -0.104 0.000 1.081 122 N CA -0.122 52.868 53.050 -0.100 0.000 0.973 122 N CB 1.608 40.057 38.487 -0.063 0.000 1.105 122 N HN 0.462 nan 8.380 nan 0.000 0.470 123 V N 2.538 122.408 119.914 -0.073 0.000 2.325 123 V HA 0.295 4.415 4.120 -0.000 0.000 0.280 123 V C 0.183 176.246 176.094 -0.052 0.000 1.016 123 V CA -0.328 61.934 62.300 -0.063 0.000 0.818 123 V CB 0.908 32.704 31.823 -0.044 0.000 1.019 123 V HN 0.663 nan 8.190 nan 0.000 0.434 124 E N 2.071 122.245 120.200 -0.044 0.000 4.106 124 E HA 0.354 4.704 4.350 -0.000 0.000 0.167 124 E C -0.201 176.376 176.600 -0.037 0.000 1.009 124 E CA -0.818 55.558 56.400 -0.040 0.000 1.003 124 E CB 0.529 30.211 29.700 -0.030 0.000 1.840 124 E HN 0.691 nan 8.360 nan 0.000 0.386 125 E N 1.212 121.399 120.200 -0.022 0.000 2.428 125 E HA 0.211 4.561 4.350 -0.000 0.000 0.257 125 E C 0.691 177.293 176.600 0.002 0.000 1.197 125 E CA 0.662 57.056 56.400 -0.011 0.000 0.974 125 E CB 0.419 30.122 29.700 0.005 0.000 0.976 125 E HN 0.632 nan 8.360 nan 0.000 0.463 126 G N 0.309 109.116 108.800 0.012 0.000 2.498 126 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.245 126 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.245 126 G C -1.004 173.899 174.900 0.004 0.000 1.204 126 G CA 0.114 45.228 45.100 0.022 0.000 0.933 126 G HN 0.872 nan 8.290 nan 0.000 0.574 127 L N 0.148 121.369 121.223 -0.004 0.000 2.410 127 L HA 0.793 5.133 4.340 -0.000 0.000 0.270 127 L C -0.063 176.777 176.870 -0.051 0.000 0.983 127 L CA -0.060 54.764 54.840 -0.027 0.000 0.822 127 L CB 2.315 44.355 42.059 -0.032 0.000 1.285 127 L HN 0.834 nan 8.230 nan 0.000 0.409 128 T N 6.331 120.844 114.554 -0.068 0.000 2.809 128 T HA 0.600 4.950 4.350 -0.000 0.000 0.296 128 T C -0.480 174.141 174.700 -0.132 0.000 1.015 128 T CA -0.238 61.793 62.100 -0.116 0.000 0.954 128 T CB 0.577 69.372 68.868 -0.123 0.000 0.950 128 T HN 0.293 nan 8.240 nan 0.000 0.450 129 I N 3.814 124.271 120.570 -0.188 0.000 2.378 129 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 129 I C -0.454 175.542 176.117 -0.202 0.000 0.992 129 I CA -1.191 60.023 61.300 -0.144 0.000 1.154 129 I CB 0.999 38.896 38.000 -0.172 0.000 1.315 129 I HN 0.522 nan 8.210 nan 0.000 0.448 130 F N 5.778 125.690 119.950 -0.063 0.000 2.404 130 F HA 0.394 4.921 4.527 -0.000 0.000 0.345 130 F C 0.443 176.206 175.800 -0.062 0.000 1.110 130 F CA -0.507 57.464 58.000 -0.049 0.000 1.130 130 F CB 0.884 39.892 39.000 0.013 0.000 1.129 130 F HN 0.141 nan 8.300 nan 0.000 0.500 131 L N 5.450 126.656 121.223 -0.029 0.000 2.261 131 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 131 L C -0.451 176.430 176.870 0.018 0.000 1.059 131 L CA -0.836 53.951 54.840 -0.089 0.000 0.816 131 L CB 0.463 42.294 42.059 -0.381 0.000 1.191 131 L HN 0.423 nan 8.230 nan 0.000 0.431 132 V N 0.540 120.503 119.914 0.082 0.000 2.823 132 V HA 0.745 4.865 4.120 -0.000 0.000 0.312 132 V C -0.718 175.411 176.094 0.059 0.000 1.072 132 V CA -0.629 61.711 62.300 0.066 0.000 0.937 132 V CB 1.918 33.759 31.823 0.029 0.000 1.013 132 V HN 0.834 nan 8.190 nan 0.000 0.430 133 N N 1.657 120.382 118.700 0.042 0.000 3.167 133 N HA 0.564 5.304 4.740 -0.000 0.000 0.323 133 N C -1.207 174.320 175.510 0.029 0.000 1.478 133 N CA -0.778 52.299 53.050 0.044 0.000 0.753 133 N CB 1.683 40.201 38.487 0.051 0.000 1.721 133 N HN 0.732 nan 8.380 nan 0.000 0.618 134 N N -0.575 118.144 118.700 0.031 0.000 2.827 134 N HA 0.332 5.072 4.740 -0.000 0.000 0.240 134 N C -3.105 172.420 175.510 0.026 0.000 1.352 134 N CA -0.884 52.178 53.050 0.021 0.000 0.760 134 N CB 1.124 39.619 38.487 0.013 0.000 1.426 134 N HN 0.380 nan 8.380 nan 0.000 0.561 135 P HA 0.197 nan 4.420 nan 0.000 0.262 135 P C 0.968 178.282 177.300 0.024 0.000 1.182 135 P CA 0.976 64.093 63.100 0.029 0.000 0.761 135 P CB 0.621 32.339 31.700 0.029 0.000 0.795 136 G N 1.326 110.140 108.800 0.025 0.000 3.400 136 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.209 136 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.209 136 G C 0.460 175.372 174.900 0.020 0.000 1.411 136 G CA 0.114 45.227 45.100 0.021 0.000 0.917 136 G HN 0.816 nan 8.290 nan 0.000 0.570 137 K N 1.523 121.934 120.400 0.019 0.000 2.171 137 K HA 0.659 4.979 4.320 -0.000 0.000 0.274 137 K C 0.168 176.782 176.600 0.024 0.000 1.110 137 K CA 0.868 57.166 56.287 0.018 0.000 0.952 137 K CB 0.084 32.592 32.500 0.013 0.000 1.309 137 K HN 1.090 nan 8.250 nan 0.000 0.414 138 E N 3.108 123.323 120.200 0.025 0.000 2.558 138 E HA -0.001 4.349 4.350 -0.000 0.000 0.255 138 E C -0.098 176.522 176.600 0.033 0.000 0.968 138 E CA 0.286 56.704 56.400 0.030 0.000 0.939 138 E CB -0.382 29.334 29.700 0.027 0.000 0.921 138 E HN 0.827 nan 8.360 nan 0.000 0.477 139 N N 1.271 119.996 118.700 0.042 0.000 2.725 139 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 139 N C 0.205 175.741 175.510 0.043 0.000 1.103 139 N CA 1.157 54.237 53.050 0.051 0.000 0.707 139 N CB -1.709 36.807 38.487 0.050 0.000 1.043 139 N HN 0.697 nan 8.380 nan 0.000 0.553 140 G N 0.195 109.015 108.800 0.033 0.000 2.684 140 G HA2 0.372 4.332 3.960 -0.000 0.000 0.255 140 G HA3 0.372 4.332 3.960 -0.000 0.000 0.255 140 G C -2.184 172.725 174.900 0.016 0.000 1.219 140 G CA -0.619 44.493 45.100 0.019 0.000 0.901 140 G HN 0.076 nan 8.290 nan 0.000 0.548 141 P HA 0.162 nan 4.420 nan 0.000 0.274 141 P C -0.084 177.191 177.300 -0.042 0.000 1.231 141 P CA -0.348 62.741 63.100 -0.018 0.000 0.790 141 P CB 1.142 32.819 31.700 -0.038 0.000 0.951 142 V N 3.730 123.600 119.914 -0.073 0.000 2.521 142 V HA 0.089 4.209 4.120 -0.000 0.000 0.286 142 V C 0.813 176.840 176.094 -0.112 0.000 1.034 142 V CA 0.557 62.764 62.300 -0.155 0.000 1.045 142 V CB -0.409 31.215 31.823 -0.332 0.000 0.974 142 V HN 0.476 nan 8.190 nan 0.000 0.480 143 K N 5.235 125.573 120.400 -0.103 0.000 2.507 143 K HA 0.541 4.861 4.320 -0.000 0.000 0.252 143 K C -1.248 175.290 176.600 -0.104 0.000 0.943 143 K CA -0.721 55.512 56.287 -0.090 0.000 0.808 143 K CB 2.013 34.477 32.500 -0.060 0.000 1.142 143 K HN 0.397 nan 8.250 nan 0.000 0.426 144 I N 3.183 123.667 120.570 -0.144 0.000 2.325 144 I HA 0.027 4.197 4.170 -0.000 0.000 0.291 144 I C 1.404 177.459 176.117 -0.103 0.000 1.019 144 I CA 0.256 61.439 61.300 -0.195 0.000 1.302 144 I CB 1.010 38.757 38.000 -0.422 0.000 1.401 144 I HN 0.739 nan 8.210 nan 0.000 0.485 145 S N 3.007 118.688 115.700 -0.032 0.000 2.492 145 S HA 0.124 4.594 4.470 -0.000 0.000 0.218 145 S C 0.873 175.491 174.600 0.030 0.000 1.016 145 S CA -0.332 57.869 58.200 0.001 0.000 0.916 145 S CB 0.076 63.288 63.200 0.020 0.000 0.791 145 S HN 0.531 nan 8.310 nan 0.000 0.513 146 S N 2.475 118.221 115.700 0.077 0.000 2.572 146 S HA 0.204 4.673 4.470 -0.000 0.000 0.279 146 S C -0.005 174.633 174.600 0.064 0.000 1.341 146 S CA -0.428 57.833 58.200 0.102 0.000 1.043 146 S CB 0.554 63.863 63.200 0.183 0.000 0.887 146 S HN 0.448 nan 8.310 nan 0.000 0.516 147 K N 2.113 122.539 120.400 0.044 0.000 2.412 147 K HA 0.190 4.510 4.320 -0.000 0.000 0.281 147 K C -1.140 175.470 176.600 0.017 0.000 1.027 147 K CA -0.103 56.199 56.287 0.025 0.000 0.989 147 K CB 0.289 32.802 32.500 0.022 0.000 0.935 147 K HN 0.348 nan 8.250 nan 0.000 0.475 148 V N 4.887 124.810 119.914 0.015 0.000 2.417 148 V HA 0.101 4.221 4.120 -0.000 0.000 0.291 148 V C -0.099 175.991 176.094 -0.007 0.000 1.024 148 V CA -0.957 61.347 62.300 0.007 0.000 0.861 148 V CB 1.496 33.347 31.823 0.048 0.000 0.985 148 V HN 0.748 nan 8.190 nan 0.000 0.436 149 N N 4.602 123.287 118.700 -0.025 0.000 3.243 149 N HA 0.145 4.885 4.740 -0.000 0.000 0.310 149 N C -0.436 175.067 175.510 -0.010 0.000 1.313 149 N CA 0.277 53.318 53.050 -0.015 0.000 1.204 149 N CB -0.100 38.376 38.487 -0.018 0.000 1.483 149 N HN 0.743 nan 8.380 nan 0.000 0.553 150 D N -0.727 119.672 120.400 -0.002 0.000 2.804 150 D HA 0.094 4.734 4.640 -0.000 0.000 0.209 150 D C 0.626 176.934 176.300 0.012 0.000 1.314 150 D CA -0.242 53.760 54.000 0.004 0.000 0.894 150 D CB 0.991 41.790 40.800 -0.001 0.000 1.615 150 D HN 0.131 nan 8.370 nan 0.000 0.571 151 K N 2.514 122.923 120.400 0.015 0.000 2.057 151 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 151 K C 1.747 178.366 176.600 0.031 0.000 1.049 151 K CA 1.361 57.658 56.287 0.018 0.000 0.931 151 K CB -0.523 31.986 32.500 0.015 0.000 0.714 151 K HN 0.466 nan 8.250 nan 0.000 0.440 152 Q N 0.197 120.022 119.800 0.040 0.000 2.050 152 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 152 Q C 2.336 178.388 176.000 0.087 0.000 0.980 152 Q CA 1.669 57.512 55.803 0.066 0.000 0.840 152 Q CB -0.590 28.193 28.738 0.075 0.000 0.898 152 Q HN 0.422 nan 8.270 nan 0.000 0.424 153 V N 0.861 120.808 119.914 0.054 0.000 2.427 153 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 153 V C 2.350 178.486 176.094 0.070 0.000 1.051 153 V CA 1.721 64.051 62.300 0.050 0.000 1.048 153 V CB -0.635 31.194 31.823 0.011 0.000 0.666 153 V HN 0.257 nan 8.190 nan 0.000 0.456 154 S N -0.115 115.610 115.700 0.042 0.000 2.356 154 S HA -0.257 4.213 4.470 -0.000 0.000 0.223 154 S C 2.022 176.638 174.600 0.025 0.000 1.032 154 S CA 1.790 60.002 58.200 0.021 0.000 1.005 154 S CB -0.322 62.883 63.200 0.009 0.000 0.867 154 S HN 0.691 nan 8.310 nan 0.000 0.449 155 E N 1.384 121.606 120.200 0.037 0.000 2.038 155 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 155 E C 1.684 178.300 176.600 0.025 0.000 1.000 155 E CA 1.393 57.805 56.400 0.019 0.000 0.803 155 E CB -0.632 29.081 29.700 0.023 0.000 0.750 155 E HN 0.510 nan 8.360 nan 0.000 0.448 156 F N 0.366 120.273 119.950 -0.071 0.000 2.126 156 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 156 F C 1.587 177.287 175.800 -0.166 0.000 1.096 156 F CA 1.316 59.250 58.000 -0.111 0.000 1.255 156 F CB 0.078 39.018 39.000 -0.101 0.000 0.997 156 F HN 0.033 nan 8.300 nan 0.000 0.479 157 L N 1.059 122.384 121.223 0.169 0.000 2.645 157 L HA 0.038 4.378 4.340 -0.000 0.000 0.234 157 L C 0.717 177.550 176.870 -0.062 0.000 1.165 157 L CA -0.251 54.605 54.840 0.025 0.000 0.944 157 L CB -1.015 40.995 42.059 -0.083 0.000 1.149 157 L HN 0.070 nan 8.230 nan 0.000 0.446 158 K N -1.157 119.202 120.400 -0.068 0.000 2.276 158 K HA 0.022 4.342 4.320 -0.000 0.000 0.259 158 K C 0.079 176.619 176.600 -0.099 0.000 1.001 158 K CA -0.474 55.764 56.287 -0.081 0.000 0.927 158 K CB 0.971 33.425 32.500 -0.077 0.000 0.969 158 K HN -0.173 nan 8.250 nan 0.000 0.490 159 D N 1.299 121.646 120.400 -0.088 0.000 2.133 159 D HA -0.213 4.427 4.640 -0.000 0.000 0.195 159 D C 1.642 177.877 176.300 -0.108 0.000 0.997 159 D CA 1.665 55.611 54.000 -0.089 0.000 0.840 159 D CB -0.106 40.651 40.800 -0.072 0.000 0.947 159 D HN 0.821 nan 8.370 nan 0.000 0.452 160 E N 0.265 120.399 120.200 -0.111 0.000 2.058 160 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 160 E C 1.590 178.086 176.600 -0.173 0.000 0.997 160 E CA 1.187 57.511 56.400 -0.127 0.000 0.801 160 E CB 0.146 29.778 29.700 -0.114 0.000 0.746 160 E HN 0.166 nan 8.360 nan 0.000 0.450 161 N N -0.289 118.293 118.700 -0.197 0.000 2.270 161 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 161 N C 1.582 176.937 175.510 -0.258 0.000 1.016 161 N CA 0.925 53.815 53.050 -0.268 0.000 0.870 161 N CB -0.068 38.202 38.487 -0.362 0.000 0.979 161 N HN 0.281 nan 8.380 nan 0.000 0.431 162 M N 1.078 120.585 119.600 -0.155 0.000 2.447 162 M HA -0.020 4.460 4.480 -0.000 0.000 0.264 162 M C 1.845 178.075 176.300 -0.118 0.000 1.095 162 M CA 0.706 55.983 55.300 -0.038 0.000 1.125 162 M CB -0.693 31.893 32.600 -0.024 0.000 1.389 162 M HN 0.310 nan 8.290 nan 0.000 0.459 163 E N 0.923 121.020 120.200 -0.171 0.000 2.338 163 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 163 E C 1.595 178.071 176.600 -0.206 0.000 1.007 163 E CA 1.370 57.681 56.400 -0.149 0.000 0.849 163 E CB -0.410 29.217 29.700 -0.121 0.000 0.774 163 E HN 0.407 nan 8.360 nan 0.000 0.506 164 K N 0.204 120.366 120.400 -0.396 0.000 2.504 164 K HA 0.038 4.358 4.320 -0.000 0.000 0.195 164 K C -0.021 176.302 176.600 -0.463 0.000 1.036 164 K CA 0.361 56.361 56.287 -0.479 0.000 0.984 164 K CB -0.940 31.188 32.500 -0.621 0.000 0.788 164 K HN 0.186 nan 8.250 nan 0.000 0.488 165 F N 1.700 121.671 119.950 0.036 0.000 2.470 165 F HA 0.556 5.083 4.527 -0.000 0.000 0.329 165 F C 0.357 176.173 175.800 0.027 0.000 1.072 165 F CA -2.045 56.011 58.000 0.093 0.000 0.989 165 F CB 1.234 40.342 39.000 0.179 0.000 1.193 165 F HN 0.325 nan 8.300 nan 0.000 0.481 166 N N -1.399 117.479 118.700 0.297 0.000 2.453 166 N HA 0.510 5.250 4.740 -0.000 0.000 0.290 166 N C -0.394 175.231 175.510 0.192 0.000 1.250 166 N CA -0.854 52.293 53.050 0.162 0.000 0.815 166 N CB 1.521 40.085 38.487 0.128 0.000 1.381 166 N HN 0.383 nan 8.380 nan 0.000 0.510 167 V N -3.571 116.417 119.914 0.123 0.000 3.421 167 V HA 0.238 4.358 4.120 -0.000 0.000 0.316 167 V C 0.713 176.889 176.094 0.138 0.000 1.347 167 V CA -0.402 61.982 62.300 0.141 0.000 1.183 167 V CB -1.434 30.432 31.823 0.072 0.000 1.092 167 V HN 0.752 nan 8.190 nan 0.000 0.433 168 K N 1.572 122.050 120.400 0.130 0.000 2.504 168 K HA -0.033 4.287 4.320 -0.000 0.000 0.278 168 K C 0.033 176.684 176.600 0.084 0.000 1.025 168 K CA -0.293 56.050 56.287 0.094 0.000 1.093 168 K CB 0.288 32.839 32.500 0.085 0.000 0.873 168 K HN 0.507 nan 8.250 nan 0.000 0.483 169 L N 5.468 126.731 121.223 0.067 0.000 2.700 169 L HA -0.013 4.327 4.340 -0.000 0.000 0.276 169 L C 1.143 178.037 176.870 0.039 0.000 1.200 169 L CA 2.184 57.058 54.840 0.057 0.000 0.951 169 L CB -0.046 42.045 42.059 0.055 0.000 1.226 169 L HN 0.996 nan 8.230 nan 0.000 0.489 170 G N 1.924 110.738 108.800 0.024 0.000 2.195 170 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 170 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 170 G C 0.626 175.502 174.900 -0.041 0.000 0.984 170 G CA 0.215 45.311 45.100 -0.007 0.000 0.633 170 G HN 0.829 nan 8.290 nan 0.000 0.525 171 T N 1.267 115.807 114.554 -0.024 0.000 2.898 171 T HA 0.566 4.916 4.350 -0.000 0.000 0.301 171 T C 0.484 175.040 174.700 -0.239 0.000 1.049 171 T CA 1.085 63.147 62.100 -0.064 0.000 1.095 171 T CB 0.922 69.810 68.868 0.034 0.000 0.976 171 T HN 1.553 nan 8.240 nan 0.000 0.539 172 S N 2.882 118.361 115.700 -0.367 0.000 2.570 172 S HA 0.746 5.216 4.470 -0.000 0.000 0.270 172 S C -1.758 172.430 174.600 -0.686 0.000 1.149 172 S CA -1.103 56.689 58.200 -0.681 0.000 0.837 172 S CB 1.925 64.832 63.200 -0.489 0.000 1.124 172 S HN 0.544 nan 8.310 nan 0.000 0.465 173 K N 1.029 120.837 120.400 -0.987 0.000 2.502 173 K HA 0.434 4.754 4.320 -0.000 0.000 0.257 173 K C -1.739 174.315 176.600 -0.911 0.000 0.938 173 K CA -0.553 55.290 56.287 -0.740 0.000 0.819 173 K CB 1.843 33.912 32.500 -0.718 0.000 1.333 173 K HN 0.851 nan 8.250 nan 0.000 0.434 174 H N 0.522 119.252 119.070 -0.566 0.000 2.472 174 H HA 0.507 5.063 4.556 0.000 0.000 0.338 174 H C -0.846 174.324 175.328 -0.263 0.000 1.133 174 H CA -0.148 55.628 56.048 -0.453 0.000 1.216 174 H CB 1.018 30.665 29.762 -0.193 0.000 1.497 174 H HN 0.305 nan 8.280 nan 0.000 0.500 175 F N 1.578 121.559 119.950 0.052 0.000 2.551 175 F HA 0.321 4.848 4.527 -0.000 0.000 0.316 175 F C -0.914 174.858 175.800 -0.048 0.000 1.089 175 F CA -1.125 56.855 58.000 -0.035 0.000 0.915 175 F CB 1.859 40.650 39.000 -0.348 0.000 1.186 175 F HN 0.423 nan 8.300 nan 0.000 0.456 176 Y N 5.555 125.882 120.300 0.045 0.000 2.391 176 Y HA 0.715 5.265 4.550 0.000 0.000 0.341 176 Y C -0.766 175.090 175.900 -0.074 0.000 0.965 176 Y CA -1.056 57.014 58.100 -0.050 0.000 1.067 176 Y CB 1.510 39.975 38.460 0.008 0.000 1.199 176 Y HN 0.640 nan 8.280 nan 0.000 0.450 177 M N 3.634 122.833 119.600 -0.669 0.000 2.949 177 M HA 0.525 5.005 4.480 -0.000 0.000 0.270 177 M C -2.272 173.621 176.300 -0.678 0.000 1.221 177 M CA -0.773 54.283 55.300 -0.406 0.000 0.818 177 M CB 2.295 34.791 32.600 -0.173 0.000 1.635 177 M HN 0.492 nan 8.290 nan 0.000 0.492 178 F N 2.429 122.264 119.950 -0.192 0.000 2.420 178 F HA 0.445 4.972 4.527 -0.000 0.000 0.342 178 F C 0.584 176.334 175.800 -0.082 0.000 1.113 178 F CA -0.356 57.560 58.000 -0.141 0.000 1.059 178 F CB 1.229 40.184 39.000 -0.075 0.000 1.128 178 F HN 0.746 nan 8.300 nan 0.000 0.475 179 N N 0.699 119.414 118.700 0.025 0.000 2.366 179 N HA 0.053 4.793 4.740 -0.000 0.000 0.277 179 N C 0.387 175.932 175.510 0.059 0.000 1.275 179 N CA -0.400 52.662 53.050 0.020 0.000 0.964 179 N CB 0.246 38.720 38.487 -0.023 0.000 1.167 179 N HN 0.431 nan 8.380 nan 0.000 0.568 180 D N -1.199 119.222 120.400 0.035 0.000 2.311 180 D HA -0.110 4.530 4.640 -0.000 0.000 0.212 180 D C 0.266 176.586 176.300 0.034 0.000 0.972 180 D CA 0.963 54.983 54.000 0.033 0.000 0.887 180 D CB -0.282 40.529 40.800 0.020 0.000 0.915 180 D HN 0.516 nan 8.370 nan 0.000 0.497 181 N N -0.063 118.658 118.700 0.035 0.000 2.268 181 N HA -0.005 4.735 4.740 -0.000 0.000 0.204 181 N C 0.627 176.173 175.510 0.061 0.000 1.124 181 N CA 0.639 53.711 53.050 0.036 0.000 0.838 181 N CB 0.678 39.179 38.487 0.024 0.000 0.994 181 N HN 0.152 nan 8.380 nan 0.000 0.489 182 K N 0.066 120.523 120.400 0.095 0.000 3.230 182 K HA -0.219 4.101 4.320 -0.000 0.000 0.285 182 K C -0.471 176.274 176.600 0.243 0.000 1.196 182 K CA 1.404 57.786 56.287 0.158 0.000 0.838 182 K CB -2.908 29.637 32.500 0.074 0.000 1.262 182 K HN 0.560 nan 8.250 nan 0.000 0.492 183 N N 0.786 119.576 118.700 0.151 0.000 2.408 183 N HA 0.457 5.197 4.740 -0.000 0.000 0.280 183 N C 0.026 175.457 175.510 -0.132 0.000 1.002 183 N CA -0.085 53.005 53.050 0.067 0.000 0.907 183 N CB 1.820 40.316 38.487 0.015 0.000 1.161 183 N HN 0.538 nan 8.380 nan 0.000 0.488 184 S N 0.812 116.291 115.700 -0.369 0.000 2.549 184 S HA 0.309 4.779 4.470 -0.000 0.000 0.286 184 S C 0.203 174.500 174.600 -0.505 0.000 1.314 184 S CA -0.752 56.899 58.200 -0.914 0.000 1.062 184 S CB 0.273 62.850 63.200 -1.039 0.000 0.865 184 S HN 0.364 nan 8.310 nan 0.000 0.498 185 V N -0.713 118.876 119.914 -0.542 0.000 2.876 185 V HA 0.963 5.083 4.120 -0.000 0.000 0.312 185 V C -0.117 175.820 176.094 -0.261 0.000 1.085 185 V CA -1.048 61.077 62.300 -0.292 0.000 0.945 185 V CB 1.184 32.888 31.823 -0.198 0.000 1.017 185 V HN 1.293 nan 8.190 nan 0.000 0.428 186 A N 3.151 125.907 122.820 -0.107 0.000 2.317 186 A HA 0.939 5.259 4.320 -0.000 0.000 0.327 186 A C -0.503 177.060 177.584 -0.035 0.000 1.178 186 A CA -0.584 51.438 52.037 -0.025 0.000 0.817 186 A CB 1.343 20.376 19.000 0.055 0.000 1.189 186 A HN 1.399 nan 8.150 nan 0.000 0.489 187 V N 0.661 120.562 119.914 -0.022 0.000 3.160 187 V HA 0.970 5.090 4.120 -0.000 0.000 0.310 187 V C 0.539 176.553 176.094 -0.133 0.000 1.181 187 V CA 0.138 62.449 62.300 0.018 0.000 1.047 187 V CB 2.171 34.068 31.823 0.123 0.000 1.068 187 V HN 1.655 nan 8.190 nan 0.000 0.441 188 G N 0.303 109.007 108.800 -0.161 0.000 2.430 188 G HA2 0.635 4.595 3.960 -0.000 0.000 0.300 188 G HA3 0.635 4.595 3.960 -0.000 0.000 0.300 188 G C -2.101 172.702 174.900 -0.162 0.000 1.330 188 G CA -0.098 44.645 45.100 -0.595 0.000 0.813 188 G HN 1.470 nan 8.290 nan 0.000 0.487 189 Y N -1.921 118.149 120.300 -0.384 0.000 2.597 189 Y HA 0.809 5.359 4.550 -0.000 0.000 0.340 189 Y C -1.274 174.510 175.900 -0.193 0.000 1.097 189 Y CA -1.589 56.422 58.100 -0.147 0.000 1.037 189 Y CB 1.627 40.066 38.460 -0.035 0.000 1.305 189 Y HN 0.551 nan 8.280 nan 0.000 0.463 190 V N 2.370 122.230 119.914 -0.091 0.000 2.495 190 V HA 0.696 4.816 4.120 -0.000 0.000 0.298 190 V C 0.495 176.667 176.094 0.130 0.000 1.031 190 V CA -0.475 61.736 62.300 -0.149 0.000 0.871 190 V CB 1.478 33.225 31.823 -0.127 0.000 0.988 190 V HN 1.145 nan 8.190 nan 0.000 0.432 191 G N 2.068 110.959 108.800 0.151 0.000 2.378 191 G HA2 0.281 4.241 3.960 -0.000 0.000 0.255 191 G HA3 0.281 4.241 3.960 -0.000 0.000 0.255 191 G C 0.414 175.374 174.900 0.100 0.000 1.270 191 G CA -0.128 45.098 45.100 0.210 0.000 0.876 191 G HN 0.899 nan 8.290 nan 0.000 0.521 192 C N 2.254 121.608 119.300 0.091 0.000 2.994 192 C HA 0.654 5.114 4.460 -0.000 0.000 0.284 192 C C 1.611 176.641 174.990 0.067 0.000 1.404 192 C CA 0.041 59.099 59.018 0.066 0.000 1.775 192 C CB -1.457 26.314 27.740 0.051 0.000 2.458 192 C HN 1.416 nan 8.230 nan 0.000 0.593 193 G N 2.081 110.924 108.800 0.071 0.000 2.542 193 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 193 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 193 G C 0.440 175.373 174.900 0.054 0.000 1.286 193 G CA 0.345 45.483 45.100 0.062 0.000 0.904 193 G HN 0.963 nan 8.290 nan 0.000 0.577 194 S N -1.767 113.962 115.700 0.049 0.000 2.900 194 S HA 0.562 5.032 4.470 -0.000 0.000 0.253 194 S C -0.017 174.608 174.600 0.042 0.000 1.029 194 S CA 0.666 58.892 58.200 0.042 0.000 1.096 194 S CB 0.905 64.127 63.200 0.036 0.000 1.067 194 S HN 1.313 nan 8.310 nan 0.000 0.610 195 V N 2.360 122.302 119.914 0.047 0.000 2.398 195 V HA 0.674 4.794 4.120 -0.000 0.000 0.286 195 V C 1.246 177.372 176.094 0.053 0.000 1.026 195 V CA -0.104 62.224 62.300 0.047 0.000 0.868 195 V CB 1.129 32.981 31.823 0.048 0.000 0.982 195 V HN 0.459 nan 8.190 nan 0.000 0.443 196 A N 3.467 126.317 122.820 0.050 0.000 2.066 196 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 196 A C 0.633 178.255 177.584 0.064 0.000 1.157 196 A CA 0.820 52.890 52.037 0.055 0.000 0.670 196 A CB -0.161 18.868 19.000 0.049 0.000 0.804 196 A HN 0.777 nan 8.150 nan 0.000 0.453 197 D N -0.282 120.155 120.400 0.062 0.000 2.414 197 D HA 0.497 5.137 4.640 -0.000 0.000 0.232 197 D C -0.698 175.646 176.300 0.073 0.000 1.070 197 D CA -0.115 53.927 54.000 0.069 0.000 0.839 197 D CB 1.106 41.943 40.800 0.061 0.000 1.079 197 D HN 0.159 nan 8.370 nan 0.000 0.521 198 L N 2.264 123.539 121.223 0.087 0.000 2.410 198 L HA 0.194 4.534 4.340 -0.000 0.000 0.273 198 L C 1.062 177.980 176.870 0.080 0.000 1.152 198 L CA -0.349 54.546 54.840 0.092 0.000 0.855 198 L CB 0.577 42.707 42.059 0.119 0.000 1.129 198 L HN 0.438 nan 8.230 nan 0.000 0.463 199 S N 1.771 117.514 115.700 0.072 0.000 2.589 199 S HA -0.006 4.464 4.470 -0.000 0.000 0.265 199 S C 1.096 175.720 174.600 0.039 0.000 1.342 199 S CA -0.421 57.809 58.200 0.050 0.000 1.005 199 S CB 1.142 64.381 63.200 0.066 0.000 0.909 199 S HN 0.767 nan 8.310 nan 0.000 0.555 200 E N 1.517 121.681 120.200 -0.060 0.000 2.097 200 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 200 E C 1.928 178.593 176.600 0.109 0.000 1.000 200 E CA 1.864 58.158 56.400 -0.177 0.000 0.804 200 E CB -0.859 28.595 29.700 -0.409 0.000 0.740 200 E HN 0.801 nan 8.360 nan 0.000 0.454 201 A N 1.476 124.361 122.820 0.110 0.000 1.898 201 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 201 A C 1.927 179.596 177.584 0.141 0.000 1.181 201 A CA 1.698 53.822 52.037 0.145 0.000 0.620 201 A CB -0.439 18.637 19.000 0.127 0.000 0.819 201 A HN 0.284 nan 8.150 nan 0.000 0.442 202 D N -0.718 119.756 120.400 0.123 0.000 2.097 202 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 202 D C 1.820 178.207 176.300 0.145 0.000 0.989 202 D CA 1.770 55.839 54.000 0.115 0.000 0.827 202 D CB -0.407 40.452 40.800 0.099 0.000 0.966 202 D HN 0.397 nan 8.370 nan 0.000 0.456 203 M N 1.241 120.963 119.600 0.203 0.000 2.117 203 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 203 M C 1.881 178.321 176.300 0.233 0.000 1.065 203 M CA 1.545 57.008 55.300 0.271 0.000 1.114 203 M CB -0.205 32.650 32.600 0.426 0.000 1.361 203 M HN -0.184 nan 8.290 nan 0.000 0.408 204 K N -0.709 119.846 120.400 0.257 0.000 2.103 204 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 204 K C 2.338 178.984 176.600 0.076 0.000 1.048 204 K CA 1.599 57.974 56.287 0.148 0.000 0.930 204 K CB -0.213 32.405 32.500 0.197 0.000 0.716 204 K HN 0.363 nan 8.250 nan 0.000 0.444 205 R N 0.132 120.685 120.500 0.089 0.000 2.066 205 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 205 R C 2.098 178.417 176.300 0.031 0.000 1.131 205 R CA 1.499 57.632 56.100 0.054 0.000 0.955 205 R CB -0.203 30.133 30.300 0.060 0.000 0.851 205 R HN 0.069 nan 8.270 nan 0.000 0.432 206 V N 0.358 120.305 119.914 0.054 0.000 2.287 206 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 206 V C 2.379 178.478 176.094 0.009 0.000 1.053 206 V CA 1.785 64.109 62.300 0.040 0.000 1.027 206 V CB -0.343 31.530 31.823 0.083 0.000 0.646 206 V HN 0.193 nan 8.190 nan 0.000 0.447 207 V N -0.426 119.486 119.914 -0.003 0.000 2.343 207 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 207 V C 2.303 178.315 176.094 -0.136 0.000 1.051 207 V CA 1.898 64.120 62.300 -0.131 0.000 1.036 207 V CB -0.512 31.155 31.823 -0.259 0.000 0.654 207 V HN 0.443 nan 8.190 nan 0.000 0.451 208 L N -0.359 120.817 121.223 -0.078 0.000 2.042 208 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 208 L C 2.662 179.481 176.870 -0.085 0.000 1.076 208 L CA 1.677 56.476 54.840 -0.068 0.000 0.749 208 L CB -0.655 41.391 42.059 -0.021 0.000 0.893 208 L HN 0.320 nan 8.230 nan 0.000 0.432 209 S N 0.065 115.718 115.700 -0.077 0.000 2.353 209 S HA -0.212 4.258 4.470 -0.000 0.000 0.222 209 S C 1.861 176.373 174.600 -0.147 0.000 1.035 209 S CA 1.390 59.530 58.200 -0.101 0.000 1.025 209 S CB -0.405 62.735 63.200 -0.101 0.000 0.902 209 S HN 0.226 nan 8.310 nan 0.000 0.440 210 L N 1.863 122.992 121.223 -0.157 0.000 2.043 210 L HA -0.091 4.248 4.340 -0.000 0.000 0.212 210 L C 2.202 178.910 176.870 -0.269 0.000 1.075 210 L CA 1.597 56.316 54.840 -0.202 0.000 0.752 210 L CB -0.791 41.167 42.059 -0.167 0.000 0.891 210 L HN 0.152 nan 8.230 nan 0.000 0.432 211 V N -0.568 119.174 119.914 -0.286 0.000 2.427 211 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 211 V C 2.660 178.522 176.094 -0.387 0.000 1.051 211 V CA 1.946 64.004 62.300 -0.404 0.000 1.048 211 V CB -1.190 30.432 31.823 -0.335 0.000 0.666 211 V HN 0.771 nan 8.190 nan 0.000 0.456 212 T N -1.869 112.565 114.554 -0.201 0.000 2.833 212 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 212 T C 1.725 176.384 174.700 -0.068 0.000 1.054 212 T CA 1.629 63.677 62.100 -0.087 0.000 1.135 212 T CB -0.401 68.445 68.868 -0.038 0.000 0.869 212 T HN 0.428 nan 8.240 nan 0.000 0.466 213 M N 0.442 119.976 119.600 -0.109 0.000 2.319 213 M HA 0.206 4.686 4.480 -0.000 0.000 0.265 213 M C 2.174 178.434 176.300 -0.067 0.000 1.068 213 M CA 1.147 56.423 55.300 -0.041 0.000 1.118 213 M CB -0.545 31.971 32.600 -0.140 0.000 1.395 213 M HN 0.204 nan 8.290 nan 0.000 0.435 214 L N -1.333 119.769 121.223 -0.201 0.000 2.179 214 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 214 L C 0.772 177.623 176.870 -0.032 0.000 1.096 214 L CA 0.444 55.157 54.840 -0.211 0.000 0.779 214 L CB -0.547 41.186 42.059 -0.544 0.000 0.922 214 L HN 0.303 nan 8.230 nan 0.000 0.443 215 H N 0.458 119.511 119.070 -0.029 0.000 2.652 215 H HA 0.004 4.560 4.556 -0.000 0.000 0.349 215 H C -0.104 175.201 175.328 -0.040 0.000 1.099 215 H CA -0.675 55.358 56.048 -0.024 0.000 1.417 215 H CB 0.691 30.439 29.762 -0.025 0.000 1.457 215 H HN 0.086 nan 8.280 nan 0.000 0.568 216 D N 1.462 121.910 120.400 0.081 0.000 2.870 216 D HA -0.219 4.421 4.640 -0.000 0.000 0.228 216 D C -0.723 175.573 176.300 -0.007 0.000 1.147 216 D CA 0.787 54.791 54.000 0.007 0.000 0.757 216 D CB -0.957 39.842 40.800 -0.002 0.000 1.091 216 D HN 0.532 nan 8.370 nan 0.000 0.429 217 N N 0.722 119.425 118.700 0.005 0.000 2.599 217 N HA 0.072 4.812 4.740 -0.000 0.000 0.283 217 N C -0.957 174.557 175.510 0.007 0.000 1.160 217 N CA -0.399 52.648 53.050 -0.006 0.000 0.869 217 N CB 1.009 39.493 38.487 -0.006 0.000 1.448 217 N HN -0.096 nan 8.380 nan 0.000 0.535 218 K N 3.575 123.976 120.400 0.001 0.000 2.237 218 K HA 0.223 4.543 4.320 -0.000 0.000 0.283 218 K C -0.358 176.256 176.600 0.023 0.000 1.080 218 K CA 0.176 56.468 56.287 0.009 0.000 0.965 218 K CB 0.419 32.921 32.500 0.003 0.000 1.098 218 K HN 0.411 nan 8.250 nan 0.000 0.434 219 L N 1.549 122.795 121.223 0.037 0.000 2.362 219 L HA 0.168 4.508 4.340 -0.000 0.000 0.271 219 L C 1.289 178.201 176.870 0.070 0.000 1.002 219 L CA -0.360 54.508 54.840 0.047 0.000 0.818 219 L CB 2.038 44.120 42.059 0.037 0.000 1.298 219 L HN 0.548 nan 8.230 nan 0.000 0.420 220 S N 0.779 116.527 115.700 0.080 0.000 2.486 220 S HA 0.093 4.563 4.470 -0.000 0.000 0.220 220 S C 0.383 175.077 174.600 0.158 0.000 1.011 220 S CA 0.095 58.363 58.200 0.114 0.000 0.921 220 S CB 0.209 63.486 63.200 0.129 0.000 0.785 220 S HN 0.620 nan 8.310 nan 0.000 0.517 221 K N -0.071 120.407 120.400 0.129 0.000 2.502 221 K HA 0.593 4.913 4.320 -0.000 0.000 0.257 221 K C -2.245 174.402 176.600 0.078 0.000 0.938 221 K CA -1.030 55.343 56.287 0.143 0.000 0.819 221 K CB 1.872 34.461 32.500 0.147 0.000 1.333 221 K HN 0.179 nan 8.250 nan 0.000 0.434 222 L N 1.873 123.140 121.223 0.074 0.000 2.365 222 L HA 0.590 4.930 4.340 -0.000 0.000 0.273 222 L C -1.425 175.480 176.870 0.059 0.000 1.000 222 L CA 0.197 55.051 54.840 0.023 0.000 0.819 222 L CB 2.354 44.391 42.059 -0.037 0.000 1.284 222 L HN 0.659 nan 8.230 nan 0.000 0.418 223 T N 4.019 118.593 114.554 0.033 0.000 2.841 223 T HA 0.693 5.043 4.350 -0.000 0.000 0.283 223 T C -0.994 173.706 174.700 -0.000 0.000 1.000 223 T CA -0.421 61.725 62.100 0.077 0.000 0.977 223 T CB 1.687 70.614 68.868 0.098 0.000 0.979 223 T HN 0.383 nan 8.240 nan 0.000 0.446 224 V N 3.477 123.424 119.914 0.055 0.000 2.448 224 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 224 V C -0.378 175.697 176.094 -0.032 0.000 1.025 224 V CA -0.781 61.481 62.300 -0.063 0.000 0.859 224 V CB 1.916 33.719 31.823 -0.034 0.000 0.988 224 V HN 0.713 nan 8.190 nan 0.000 0.431 225 V N 5.241 125.004 119.914 -0.252 0.000 2.357 225 V HA 0.423 4.543 4.120 -0.000 0.000 0.284 225 V C -0.469 175.553 176.094 -0.120 0.000 1.018 225 V CA -0.456 61.737 62.300 -0.177 0.000 0.841 225 V CB 1.153 32.588 31.823 -0.646 0.000 0.991 225 V HN 0.668 nan 8.190 nan 0.000 0.437 226 F N 3.569 123.476 119.950 -0.072 0.000 2.434 226 F HA 0.286 4.813 4.527 0.000 0.000 0.358 226 F C 1.344 177.139 175.800 -0.007 0.000 1.136 226 F CA -0.046 57.905 58.000 -0.081 0.000 1.157 226 F CB 0.496 39.411 39.000 -0.141 0.000 1.167 226 F HN 0.557 nan 8.300 nan 0.000 0.539 227 E N 4.957 125.224 120.200 0.112 0.000 2.496 227 E HA 0.200 4.550 4.350 -0.000 0.000 0.202 227 E C -0.172 176.486 176.600 0.097 0.000 1.021 227 E CA -0.009 56.463 56.400 0.121 0.000 1.015 227 E CB 0.266 30.045 29.700 0.132 0.000 1.102 227 E HN 0.572 nan 8.360 nan 0.000 0.452 228 I N -3.023 117.618 120.570 0.119 0.000 2.785 228 I HA 0.443 4.613 4.170 -0.000 0.000 0.302 228 I C -0.353 175.855 176.117 0.152 0.000 1.069 228 I CA -1.147 60.222 61.300 0.116 0.000 1.045 228 I CB 1.803 39.859 38.000 0.094 0.000 1.236 228 I HN -0.250 nan 8.210 nan 0.000 0.429 229 N N 3.506 122.277 118.700 0.118 0.000 2.430 229 N HA 0.418 5.158 4.740 -0.000 0.000 0.265 229 N C -0.866 174.723 175.510 0.131 0.000 1.100 229 N CA -0.051 53.066 53.050 0.112 0.000 0.961 229 N CB 1.924 40.465 38.487 0.090 0.000 1.075 229 N HN 0.575 nan 8.380 nan 0.000 0.478 230 V N -0.289 119.703 119.914 0.130 0.000 2.789 230 V HA 0.452 4.572 4.120 -0.000 0.000 0.311 230 V C -0.217 176.003 176.094 0.211 0.000 1.073 230 V CA -1.193 61.204 62.300 0.162 0.000 0.921 230 V CB 1.960 33.889 31.823 0.177 0.000 1.009 230 V HN 0.535 nan 8.190 nan 0.000 0.426 231 D N 2.741 123.258 120.400 0.195 0.000 2.433 231 D HA 0.269 4.909 4.640 -0.000 0.000 0.255 231 D C 0.801 177.269 176.300 0.280 0.000 1.226 231 D CA -0.410 53.700 54.000 0.183 0.000 1.015 231 D CB 1.001 41.858 40.800 0.094 0.000 1.091 231 D HN 0.571 nan 8.370 nan 0.000 0.527 232 K N -0.614 119.873 120.400 0.145 0.000 2.057 232 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 232 K C 1.685 178.429 176.600 0.241 0.000 1.049 232 K CA 1.156 57.539 56.287 0.160 0.000 0.931 232 K CB -0.144 32.312 32.500 -0.073 0.000 0.714 232 K HN 0.327 nan 8.250 nan 0.000 0.440 233 N N 0.970 119.766 118.700 0.161 0.000 2.142 233 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 233 N C 1.707 177.351 175.510 0.222 0.000 1.023 233 N CA 0.860 54.006 53.050 0.159 0.000 0.852 233 N CB -0.201 38.344 38.487 0.096 0.000 0.998 233 N HN 0.048 nan 8.380 nan 0.000 0.424 234 L N 0.183 121.543 121.223 0.228 0.000 2.093 234 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 234 L C 2.004 179.089 176.870 0.359 0.000 1.085 234 L CA 1.124 56.131 54.840 0.279 0.000 0.755 234 L CB -0.826 41.365 42.059 0.219 0.000 0.904 234 L HN 0.021 nan 8.230 nan 0.000 0.435 235 F N 0.392 120.440 119.950 0.163 0.000 2.095 235 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 235 F C 2.781 178.675 175.800 0.157 0.000 1.104 235 F CA 2.069 60.107 58.000 0.065 0.000 1.232 235 F CB -0.341 38.623 39.000 -0.059 0.000 0.987 235 F HN 0.044 nan 8.300 nan 0.000 0.475 236 R N -0.716 119.919 120.500 0.224 0.000 2.091 236 R HA -0.236 4.104 4.340 -0.000 0.000 0.238 236 R C 2.404 178.723 176.300 0.032 0.000 1.136 236 R CA 1.901 58.042 56.100 0.068 0.000 0.959 236 R CB -0.860 29.514 30.300 0.123 0.000 0.856 236 R HN 0.425 nan 8.270 nan 0.000 0.437 237 F N 0.596 120.561 119.950 0.025 0.000 2.171 237 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 237 F C 1.835 177.617 175.800 -0.031 0.000 1.090 237 F CA 1.374 59.389 58.000 0.024 0.000 1.293 237 F CB -0.577 38.462 39.000 0.066 0.000 1.013 237 F HN 0.052 nan 8.300 nan 0.000 0.486 238 F N 0.726 120.589 119.950 -0.145 0.000 2.095 238 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 238 F C 1.891 177.408 175.800 -0.472 0.000 1.104 238 F CA 2.024 59.868 58.000 -0.260 0.000 1.232 238 F CB -0.611 38.350 39.000 -0.065 0.000 0.987 238 F HN -0.027 nan 8.300 nan 0.000 0.475 239 L N 0.018 120.895 121.223 -0.577 0.000 2.027 239 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 239 L C 2.430 178.633 176.870 -1.113 0.000 1.074 239 L CA 1.768 56.021 54.840 -0.978 0.000 0.745 239 L CB -0.920 40.665 42.059 -0.791 0.000 0.898 239 L HN 0.178 nan 8.230 nan 0.000 0.433 240 E N -0.357 119.506 120.200 -0.561 0.000 2.085 240 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 240 E C 2.082 178.540 176.600 -0.237 0.000 0.994 240 E CA 1.979 58.256 56.400 -0.206 0.000 0.801 240 E CB -0.100 29.562 29.700 -0.063 0.000 0.743 240 E HN 0.445 nan 8.360 nan 0.000 0.453 241 T N 1.224 115.462 114.554 -0.526 0.000 2.770 241 T HA -0.104 4.246 4.350 -0.000 0.000 0.263 241 T C 1.796 176.282 174.700 -0.355 0.000 1.039 241 T CA 0.665 62.481 62.100 -0.472 0.000 1.142 241 T CB -0.239 68.158 68.868 -0.786 0.000 0.868 241 T HN 0.024 nan 8.240 nan 0.000 0.435 242 L N 0.995 121.840 121.223 -0.630 0.000 1.989 242 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 242 L C 1.974 178.708 176.870 -0.226 0.000 1.071 242 L CA 1.897 56.391 54.840 -0.577 0.000 0.749 242 L CB -1.096 40.408 42.059 -0.926 0.000 0.890 242 L HN 0.119 nan 8.230 nan 0.000 0.431 243 F N -1.081 118.693 119.950 -0.294 0.000 2.095 243 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 243 F C 2.570 178.213 175.800 -0.263 0.000 1.104 243 F CA 1.523 59.272 58.000 -0.418 0.000 1.232 243 F CB -1.695 36.842 39.000 -0.771 0.000 0.987 243 F HN 0.204 nan 8.300 nan 0.000 0.475 244 Y N 1.133 121.502 120.300 0.115 0.000 2.145 244 Y HA -0.190 4.360 4.550 0.000 0.000 0.286 244 Y C 2.339 178.308 175.900 0.114 0.000 1.145 244 Y CA 1.827 60.067 58.100 0.233 0.000 1.148 244 Y CB -0.231 38.345 38.460 0.193 0.000 0.981 244 Y HN -0.034 nan 8.280 nan 0.000 0.507 245 E N -1.154 119.101 120.200 0.091 0.000 2.158 245 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 245 E C 1.928 178.569 176.600 0.068 0.000 0.982 245 E CA 0.825 57.243 56.400 0.030 0.000 0.823 245 E CB -0.702 29.009 29.700 0.019 0.000 0.766 245 E HN 0.550 nan 8.360 nan 0.000 0.468 246 Y N 1.088 121.335 120.300 -0.087 0.000 2.242 246 Y HA -0.030 4.520 4.550 -0.000 0.000 0.291 246 Y C 1.023 176.996 175.900 0.121 0.000 1.137 246 Y CA 0.339 58.423 58.100 -0.027 0.000 1.181 246 Y CB -0.153 38.285 38.460 -0.037 0.000 0.989 246 Y HN -0.025 nan 8.280 nan 0.000 0.527 247 M N 1.310 120.906 119.600 -0.006 0.000 2.246 247 M HA 0.155 4.635 4.480 -0.000 0.000 0.350 247 M C -0.657 175.591 176.300 -0.087 0.000 1.406 247 M CA 0.641 55.839 55.300 -0.171 0.000 1.089 247 M CB 0.258 32.567 32.600 -0.485 0.000 1.782 247 M HN 0.011 nan 8.290 nan 0.000 0.457 248 T N 4.208 118.778 114.554 0.026 0.000 2.779 248 T HA 0.243 4.593 4.350 -0.000 0.000 0.280 248 T C -0.943 173.795 174.700 0.065 0.000 0.987 248 T CA -0.605 61.515 62.100 0.033 0.000 0.966 248 T CB 0.708 69.579 68.868 0.004 0.000 0.933 248 T HN 0.563 nan 8.240 nan 0.000 0.442 249 D N 2.703 123.160 120.400 0.095 0.000 2.393 249 D HA 0.101 4.741 4.640 -0.000 0.000 0.232 249 D C 0.453 176.782 176.300 0.048 0.000 1.192 249 D CA -0.225 53.849 54.000 0.123 0.000 0.882 249 D CB 0.681 41.556 40.800 0.125 0.000 1.038 249 D HN 0.523 nan 8.370 nan 0.000 0.499 250 E N 2.911 123.115 120.200 0.006 0.000 2.496 250 E HA 0.104 4.454 4.350 -0.000 0.000 0.200 250 E C 1.328 177.860 176.600 -0.113 0.000 1.016 250 E CA -0.212 56.172 56.400 -0.026 0.000 0.962 250 E CB 0.653 30.342 29.700 -0.019 0.000 1.071 250 E HN 0.380 nan 8.360 nan 0.000 0.457 251 R N -0.184 120.175 120.500 -0.236 0.000 2.120 251 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 251 R C 1.032 176.915 176.300 -0.697 0.000 1.123 251 R CA 1.283 57.058 56.100 -0.543 0.000 0.975 251 R CB -0.020 29.758 30.300 -0.871 0.000 0.866 251 R HN 0.147 nan 8.270 nan 0.000 0.446 252 F N 0.514 120.391 119.950 -0.121 0.000 2.695 252 F HA 0.176 4.703 4.527 -0.000 0.000 0.303 252 F C 0.506 176.272 175.800 -0.056 0.000 1.091 252 F CA -0.254 57.672 58.000 -0.124 0.000 1.300 252 F CB 0.333 39.235 39.000 -0.163 0.000 1.071 252 F HN -0.373 nan 8.300 nan 0.000 0.578 253 K N 0.552 120.978 120.400 0.042 0.000 2.270 253 K HA 0.224 4.544 4.320 -0.000 0.000 0.276 253 K C 0.801 177.408 176.600 0.012 0.000 1.023 253 K CA 0.141 56.446 56.287 0.030 0.000 0.955 253 K CB 1.916 34.420 32.500 0.007 0.000 0.975 253 K HN 0.078 nan 8.250 nan 0.000 0.471 254 S N 0.668 116.382 115.700 0.023 0.000 3.627 254 S HA -0.068 4.402 4.470 -0.000 0.000 0.190 254 S C 1.438 176.045 174.600 0.011 0.000 0.880 254 S CA 0.599 58.809 58.200 0.017 0.000 0.894 254 S CB -0.298 62.923 63.200 0.034 0.000 1.095 254 S HN 0.690 nan 8.310 nan 0.000 0.655 255 T N -0.979 113.584 114.554 0.015 0.000 3.118 255 T HA 0.148 4.498 4.350 -0.000 0.000 0.260 255 T C 0.593 175.296 174.700 0.004 0.000 1.139 255 T CA 1.396 63.502 62.100 0.009 0.000 1.085 255 T CB -0.167 68.708 68.868 0.011 0.000 0.934 255 T HN 0.359 nan 8.240 nan 0.000 0.518 256 D N 0.502 120.905 120.400 0.005 0.000 2.696 256 D HA 0.237 4.877 4.640 -0.000 0.000 0.269 256 D C -0.128 176.168 176.300 -0.007 0.000 1.319 256 D CA -0.497 53.503 54.000 -0.000 0.000 0.826 256 D CB 0.129 40.932 40.800 0.005 0.000 1.086 256 D HN 0.295 nan 8.370 nan 0.000 0.481 257 K N 0.453 120.847 120.400 -0.010 0.000 2.355 257 K HA 0.077 4.397 4.320 -0.000 0.000 0.270 257 K C 0.297 176.881 176.600 -0.027 0.000 1.003 257 K CA -0.393 55.883 56.287 -0.018 0.000 0.957 257 K CB 0.403 32.894 32.500 -0.016 0.000 0.939 257 K HN 0.054 nan 8.250 nan 0.000 0.482 258 N N 2.684 121.360 118.700 -0.041 0.000 2.415 258 N HA 0.060 4.800 4.740 -0.000 0.000 0.250 258 N C -0.115 175.364 175.510 -0.052 0.000 1.127 258 N CA 0.037 53.052 53.050 -0.058 0.000 0.945 258 N CB -0.228 38.202 38.487 -0.094 0.000 1.196 258 N HN 0.513 nan 8.380 nan 0.000 0.499 262 E N 2.351 122.440 120.200 -0.185 0.000 2.288 262 E HA 0.503 4.853 4.350 -0.000 0.000 0.268 262 E C -1.759 174.743 176.600 -0.163 0.000 0.885 262 E CA -0.815 55.536 56.400 -0.083 0.000 0.767 262 E CB 2.533 32.224 29.700 -0.015 0.000 1.220 262 E HN 0.474 nan 8.360 nan 0.000 0.427 263 Y N 1.000 121.267 120.300 -0.055 0.000 2.419 263 Y HA 0.311 4.861 4.550 0.000 0.000 0.328 263 Y C 0.918 176.849 175.900 0.052 0.000 1.162 263 Y CA -1.160 56.911 58.100 -0.048 0.000 1.174 263 Y CB 0.957 39.278 38.460 -0.231 0.000 1.228 263 Y HN 0.440 nan 8.280 nan 0.000 0.473 264 I N -0.387 120.374 120.570 0.319 0.000 2.948 264 I HA 0.070 4.240 4.170 -0.000 0.000 0.290 264 I C 0.252 176.417 176.117 0.081 0.000 1.226 264 I CA -0.130 61.279 61.300 0.183 0.000 1.413 264 I CB 0.803 38.910 38.000 0.177 0.000 1.352 264 I HN 0.710 nan 8.210 nan 0.000 0.597 265 K N 2.381 122.755 120.400 -0.043 0.000 2.352 265 K HA 0.242 4.562 4.320 -0.000 0.000 0.194 265 K C -0.298 175.980 176.600 -0.536 0.000 1.038 265 K CA 0.258 56.361 56.287 -0.308 0.000 1.023 265 K CB 0.130 32.376 32.500 -0.423 0.000 0.840 265 K HN 0.622 nan 8.250 nan 0.000 0.519 266 H N -0.078 119.031 119.070 0.065 0.000 2.771 266 H HA 0.294 4.850 4.556 -0.000 0.000 0.361 266 H C -1.579 173.797 175.328 0.080 0.000 1.108 266 H CA -1.024 55.063 56.048 0.064 0.000 1.201 266 H CB 2.134 31.935 29.762 0.065 0.000 1.681 266 H HN -0.129 nan 8.280 nan 0.000 0.534 267 L N 1.863 123.209 121.223 0.204 0.000 2.372 267 L HA 0.600 4.940 4.340 -0.000 0.000 0.274 267 L C -0.147 176.827 176.870 0.172 0.000 0.988 267 L CA -0.189 54.756 54.840 0.175 0.000 0.833 267 L CB 1.595 43.765 42.059 0.184 0.000 1.236 267 L HN 0.777 nan 8.230 nan 0.000 0.410 268 G N 4.085 112.999 108.800 0.190 0.000 2.388 268 G HA2 0.630 4.590 3.960 -0.000 0.000 0.330 268 G HA3 0.630 4.590 3.960 -0.000 0.000 0.330 268 G C -1.552 173.476 174.900 0.213 0.000 1.142 268 G CA -0.487 44.749 45.100 0.226 0.000 0.908 268 G HN 0.483 nan 8.290 nan 0.000 0.473 269 V N 1.882 121.882 119.914 0.143 0.000 2.588 269 V HA 0.397 4.517 4.120 -0.000 0.000 0.304 269 V C -1.335 174.823 176.094 0.107 0.000 1.042 269 V CA -0.810 61.616 62.300 0.210 0.000 0.877 269 V CB 1.477 33.454 31.823 0.258 0.000 0.996 269 V HN 0.679 nan 8.190 nan 0.000 0.425 270 Y N 4.884 125.297 120.300 0.188 0.000 2.335 270 Y HA 0.786 5.336 4.550 0.000 0.000 0.338 270 Y C -0.041 175.913 175.900 0.089 0.000 0.977 270 Y CA -0.527 57.656 58.100 0.137 0.000 1.114 270 Y CB 1.890 40.387 38.460 0.063 0.000 1.182 270 Y HN 0.576 nan 8.280 nan 0.000 0.463 271 I N 2.531 123.162 120.570 0.102 0.000 2.918 271 I HA 0.322 4.492 4.170 -0.000 0.000 0.301 271 I C -1.210 174.888 176.117 -0.032 0.000 1.312 271 I CA -0.797 60.459 61.300 -0.074 0.000 1.007 271 I CB 1.630 39.303 38.000 -0.545 0.000 1.281 271 I HN 0.574 nan 8.210 nan 0.000 0.440 272 N N 4.740 123.433 118.700 -0.011 0.000 2.453 272 N HA 0.128 4.868 4.740 -0.000 0.000 0.253 272 N C -0.395 175.161 175.510 0.077 0.000 1.252 272 N CA 0.377 53.453 53.050 0.044 0.000 0.917 272 N CB 0.249 38.770 38.487 0.058 0.000 1.117 272 N HN 0.610 nan 8.380 nan 0.000 0.442 273 N N -0.088 118.653 118.700 0.068 0.000 2.699 273 N HA -0.226 4.514 4.740 -0.000 0.000 0.256 273 N C 0.698 176.259 175.510 0.085 0.000 0.993 273 N CA 0.710 53.793 53.050 0.056 0.000 0.759 273 N CB -1.073 37.436 38.487 0.036 0.000 0.906 273 N HN 0.665 nan 8.380 nan 0.000 0.541 274 A N -0.025 122.822 122.820 0.044 0.000 1.940 274 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 274 A C 1.881 179.454 177.584 -0.020 0.000 1.176 274 A CA 1.784 53.825 52.037 0.006 0.000 0.631 274 A CB -0.086 18.883 19.000 -0.052 0.000 0.814 274 A HN 0.328 nan 8.150 nan 0.000 0.446 275 D N -0.561 119.815 120.400 -0.038 0.000 2.182 275 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 275 D C 2.291 178.530 176.300 -0.101 0.000 0.986 275 D CA 1.975 55.938 54.000 -0.062 0.000 0.847 275 D CB -0.410 40.360 40.800 -0.050 0.000 0.942 275 D HN 0.643 nan 8.370 nan 0.000 0.467 276 T N -2.487 111.974 114.554 -0.156 0.000 2.995 276 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 276 T C 1.725 176.179 174.700 -0.411 0.000 1.091 276 T CA 0.731 62.659 62.100 -0.286 0.000 1.128 276 T CB -0.415 68.223 68.868 -0.384 0.000 0.891 276 T HN 0.168 nan 8.240 nan 0.000 0.492 277 Y N 0.853 120.984 120.300 -0.282 0.000 2.497 277 Y HA 0.447 4.997 4.550 0.000 0.000 0.265 277 Y C 2.475 178.223 175.900 -0.253 0.000 1.111 277 Y CA -0.431 57.419 58.100 -0.417 0.000 1.288 277 Y CB 0.108 37.975 38.460 -0.988 0.000 1.082 277 Y HN 0.114 nan 8.280 nan 0.000 0.536 278 K N 0.261 120.635 120.400 -0.044 0.000 2.113 278 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 278 K C 1.949 178.570 176.600 0.035 0.000 1.047 278 K CA 1.706 57.991 56.287 -0.003 0.000 0.928 278 K CB -0.146 32.333 32.500 -0.036 0.000 0.716 278 K HN 0.133 nan 8.250 nan 0.000 0.446 279 E N 0.803 121.005 120.200 0.005 0.000 2.333 279 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 279 E C 1.511 178.139 176.600 0.046 0.000 1.007 279 E CA 0.819 57.226 56.400 0.012 0.000 0.845 279 E CB -0.166 29.522 29.700 -0.021 0.000 0.766 279 E HN 0.330 nan 8.360 nan 0.000 0.507 280 E N -0.183 120.083 120.200 0.111 0.000 2.358 280 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 280 E C 2.157 178.860 176.600 0.170 0.000 1.010 280 E CA 0.336 56.835 56.400 0.165 0.000 0.856 280 E CB -0.043 29.871 29.700 0.357 0.000 0.795 280 E HN 0.328 nan 8.360 nan 0.000 0.504 281 V N 1.684 121.715 119.914 0.194 0.000 2.270 281 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 281 V C 2.188 178.381 176.094 0.166 0.000 1.043 281 V CA 1.568 63.987 62.300 0.197 0.000 1.014 281 V CB -0.241 31.695 31.823 0.188 0.000 0.645 281 V HN 0.132 nan 8.190 nan 0.000 0.447 282 E N 0.018 120.287 120.200 0.114 0.000 2.152 282 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 282 E C 2.128 178.787 176.600 0.098 0.000 0.983 282 E CA 0.815 57.281 56.400 0.110 0.000 0.818 282 E CB -0.222 29.525 29.700 0.077 0.000 0.758 282 E HN 0.554 nan 8.360 nan 0.000 0.467 283 K N 0.859 121.275 120.400 0.026 0.000 2.063 283 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 283 K C 2.057 178.589 176.600 -0.112 0.000 1.048 283 K CA 1.283 57.507 56.287 -0.105 0.000 0.928 283 K CB -0.058 32.313 32.500 -0.216 0.000 0.713 283 K HN 0.056 nan 8.250 nan 0.000 0.442 284 A N 1.277 124.103 122.820 0.010 0.000 1.933 284 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 284 A C 2.106 179.917 177.584 0.378 0.000 1.175 284 A CA 1.741 53.849 52.037 0.119 0.000 0.628 284 A CB -0.531 18.491 19.000 0.036 0.000 0.814 284 A HN 0.403 nan 8.150 nan 0.000 0.444 285 R N -0.536 120.205 120.500 0.402 0.000 2.092 285 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 285 R C 1.827 178.427 176.300 0.499 0.000 1.119 285 R CA 1.586 57.945 56.100 0.432 0.000 0.970 285 R CB -0.379 30.047 30.300 0.211 0.000 0.864 285 R HN 0.280 nan 8.270 nan 0.000 0.440 286 V N 0.070 120.247 119.914 0.439 0.000 2.307 286 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 286 V C 1.950 178.453 176.094 0.681 0.000 1.045 286 V CA 1.573 64.216 62.300 0.572 0.000 1.024 286 V CB -0.694 31.355 31.823 0.376 0.000 0.651 286 V HN 0.304 nan 8.190 nan 0.000 0.449 287 Y N -0.230 120.259 120.300 0.315 0.000 2.181 287 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 287 Y C 2.509 178.549 175.900 0.234 0.000 1.146 287 Y CA 1.197 59.438 58.100 0.236 0.000 1.164 287 Y CB -1.295 37.269 38.460 0.173 0.000 0.982 287 Y HN 0.458 nan 8.280 nan 0.000 0.515 288 Y N -0.386 120.157 120.300 0.404 0.000 2.081 288 Y HA -0.350 4.200 4.550 -0.000 0.000 0.280 288 Y C 2.334 178.437 175.900 0.339 0.000 1.163 288 Y CA 1.828 60.136 58.100 0.346 0.000 1.135 288 Y CB -1.273 37.432 38.460 0.410 0.000 0.970 288 Y HN 0.048 nan 8.280 nan 0.000 0.498 289 F N 1.097 120.872 119.950 -0.291 0.000 2.186 289 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 289 F C 2.416 178.032 175.800 -0.306 0.000 1.090 289 F CA 1.619 59.303 58.000 -0.527 0.000 1.307 289 F CB -0.886 37.951 39.000 -0.272 0.000 1.019 289 F HN 0.134 nan 8.300 nan 0.000 0.489 290 G N -0.869 107.849 108.800 -0.137 0.000 2.440 290 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 290 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 290 G C 1.639 176.442 174.900 -0.162 0.000 1.154 290 G CA 1.430 46.477 45.100 -0.089 0.000 0.767 290 G HN 0.386 nan 8.290 nan 0.000 0.552 291 T N -0.309 114.172 114.554 -0.122 0.000 2.777 291 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 291 T C 2.017 176.687 174.700 -0.049 0.000 1.040 291 T CA 1.205 63.238 62.100 -0.112 0.000 1.141 291 T CB -0.318 68.472 68.868 -0.129 0.000 0.868 291 T HN 0.321 nan 8.240 nan 0.000 0.444 292 Y N 0.635 120.801 120.300 -0.224 0.000 2.293 292 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 292 Y C 2.148 177.814 175.900 -0.391 0.000 1.137 292 Y CA 0.333 58.320 58.100 -0.189 0.000 1.202 292 Y CB -0.449 37.756 38.460 -0.425 0.000 0.990 292 Y HN 0.299 nan 8.280 nan 0.000 0.537 293 Y N 0.104 119.859 120.300 -0.909 0.000 2.163 293 Y HA -0.134 4.416 4.550 0.000 0.000 0.288 293 Y C 2.460 178.052 175.900 -0.512 0.000 1.136 293 Y CA 1.717 59.265 58.100 -0.921 0.000 1.147 293 Y CB -0.908 36.881 38.460 -1.119 0.000 0.987 293 Y HN 0.087 nan 8.280 nan 0.000 0.509 294 A N -0.551 122.059 122.820 -0.349 0.000 1.892 294 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 294 A C 2.522 179.946 177.584 -0.267 0.000 1.188 294 A CA 2.316 54.195 52.037 -0.264 0.000 0.631 294 A CB -1.618 17.322 19.000 -0.099 0.000 0.822 294 A HN 0.550 nan 8.150 nan 0.000 0.447 295 S N -0.752 114.815 115.700 -0.222 0.000 2.370 295 S HA -0.282 4.188 4.470 -0.000 0.000 0.226 295 S C 2.153 176.578 174.600 -0.292 0.000 1.033 295 S CA 1.920 60.026 58.200 -0.157 0.000 1.011 295 S CB -0.455 62.751 63.200 0.011 0.000 0.852 295 S HN 0.678 nan 8.310 nan 0.000 0.457 296 Q N 0.139 119.612 119.800 -0.545 0.000 2.084 296 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 296 Q C 2.336 178.148 176.000 -0.314 0.000 0.978 296 Q CA 1.609 57.123 55.803 -0.482 0.000 0.844 296 Q CB -0.302 28.055 28.738 -0.635 0.000 0.898 296 Q HN 0.548 nan 8.270 nan 0.000 0.426 297 L N 0.118 121.098 121.223 -0.404 0.000 2.056 297 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 297 L C 2.310 179.109 176.870 -0.117 0.000 1.078 297 L CA 0.986 55.657 54.840 -0.282 0.000 0.749 297 L CB -0.399 41.442 42.059 -0.362 0.000 0.901 297 L HN 0.251 nan 8.230 nan 0.000 0.433 298 I N 0.039 120.563 120.570 -0.077 0.000 2.202 298 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 298 I C 2.735 178.936 176.117 0.141 0.000 1.091 298 I CA 1.234 62.574 61.300 0.065 0.000 1.368 298 I CB -0.475 37.608 38.000 0.140 0.000 1.058 298 I HN 0.171 nan 8.210 nan 0.000 0.410 299 A N 0.909 123.797 122.820 0.114 0.000 2.067 299 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 299 A C 1.536 179.128 177.584 0.014 0.000 1.158 299 A CA 0.745 52.872 52.037 0.150 0.000 0.661 299 A CB -0.686 18.378 19.000 0.108 0.000 0.801 299 A HN 0.352 nan 8.150 nan 0.000 0.452 300 A N 1.074 123.896 122.820 0.004 0.000 2.524 300 A HA 0.486 4.806 4.320 -0.000 0.000 0.250 300 A C -2.291 175.225 177.584 -0.113 0.000 1.078 300 A CA -1.014 50.989 52.037 -0.057 0.000 0.761 300 A CB -0.269 18.788 19.000 0.096 0.000 1.012 300 A HN 0.258 nan 8.150 nan 0.000 0.500 301 P HA 0.166 nan 4.420 nan 0.000 0.272 301 P C 0.837 178.136 177.300 -0.001 0.000 1.240 301 P CA -0.220 62.809 63.100 -0.119 0.000 0.791 301 P CB 0.630 32.235 31.700 -0.158 0.000 0.978 302 S N 0.497 116.179 115.700 -0.029 0.000 2.447 302 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 302 S C 1.501 176.062 174.600 -0.065 0.000 1.006 302 S CA 1.029 59.212 58.200 -0.029 0.000 0.957 302 S CB -0.875 62.295 63.200 -0.050 0.000 0.773 302 S HN 0.636 nan 8.310 nan 0.000 0.507 303 N N 0.512 119.174 118.700 -0.065 0.000 2.396 303 N HA -0.122 4.618 4.740 -0.000 0.000 0.180 303 N C 1.155 176.570 175.510 -0.158 0.000 1.028 303 N CA 1.201 54.190 53.050 -0.101 0.000 0.893 303 N CB -0.571 37.835 38.487 -0.135 0.000 0.967 303 N HN 0.466 nan 8.380 nan 0.000 0.440 304 Y N 0.241 120.504 120.300 -0.061 0.000 2.343 304 Y HA 0.217 4.767 4.550 -0.000 0.000 0.294 304 Y C 1.046 176.913 175.900 -0.057 0.000 1.122 304 Y CA 0.297 58.392 58.100 -0.008 0.000 1.173 304 Y CB 0.132 38.648 38.460 0.093 0.000 1.077 304 Y HN 0.145 nan 8.280 nan 0.000 0.542 305 C N 3.056 122.406 119.300 0.084 0.000 2.250 305 C HA 0.507 4.967 4.460 -0.000 0.000 0.319 305 C C -0.349 174.579 174.990 -0.103 0.000 1.124 305 C CA -0.920 58.094 59.018 -0.006 0.000 1.527 305 C CB -2.482 25.267 27.740 0.016 0.000 2.001 305 C HN 0.552 nan 8.230 nan 0.000 0.435 306 N N 4.191 122.749 118.700 -0.236 0.000 2.653 306 N HA 0.676 5.416 4.740 -0.000 0.000 0.294 306 N C -2.570 172.776 175.510 -0.272 0.000 1.305 306 N CA -1.798 50.992 53.050 -0.433 0.000 0.827 306 N CB 0.648 38.428 38.487 -1.177 0.000 1.415 306 N HN 0.069 nan 8.380 nan 0.000 0.546 307 P HA -0.032 nan 4.420 nan 0.000 0.221 307 P C 0.995 178.285 177.300 -0.017 0.000 1.150 307 P CA 0.642 63.718 63.100 -0.040 0.000 0.800 307 P CB 0.239 31.974 31.700 0.058 0.000 0.787 308 V N 0.280 120.170 119.914 -0.040 0.000 2.323 308 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 308 V C 2.489 178.578 176.094 -0.009 0.000 1.041 308 V CA 2.449 64.757 62.300 0.014 0.000 1.025 308 V CB -1.653 30.209 31.823 0.065 0.000 0.656 308 V HN 0.251 nan 8.190 nan 0.000 0.451 309 S N 0.296 115.961 115.700 -0.059 0.000 2.428 309 S HA -0.118 4.352 4.470 -0.000 0.000 0.230 309 S C 1.910 176.504 174.600 -0.011 0.000 1.014 309 S CA 1.423 59.608 58.200 -0.025 0.000 0.957 309 S CB -0.438 62.744 63.200 -0.030 0.000 0.784 309 S HN 0.405 nan 8.310 nan 0.000 0.499 310 L N 2.789 123.995 121.223 -0.029 0.000 2.072 310 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 310 L C 2.582 179.458 176.870 0.010 0.000 1.079 310 L CA 1.972 56.803 54.840 -0.016 0.000 0.752 310 L CB -0.878 41.163 42.059 -0.031 0.000 0.906 310 L HN 0.521 nan 8.230 nan 0.000 0.436 311 S N -0.818 114.892 115.700 0.017 0.000 2.383 311 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 311 S C 1.834 176.447 174.600 0.022 0.000 1.026 311 S CA 1.088 59.310 58.200 0.035 0.000 0.981 311 S CB -0.864 62.373 63.200 0.062 0.000 0.818 311 S HN 0.526 nan 8.310 nan 0.000 0.472 312 N N 2.948 121.660 118.700 0.020 0.000 2.120 312 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 312 N C 2.013 177.532 175.510 0.014 0.000 1.024 312 N CA 1.596 54.652 53.050 0.010 0.000 0.852 312 N CB -1.070 37.431 38.487 0.023 0.000 1.003 312 N HN 0.616 nan 8.380 nan 0.000 0.424 313 A N 1.015 123.862 122.820 0.045 0.000 1.908 313 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 313 A C 2.378 180.029 177.584 0.113 0.000 1.181 313 A CA 2.075 54.171 52.037 0.099 0.000 0.627 313 A CB -0.897 18.158 19.000 0.092 0.000 0.818 313 A HN 0.331 nan 8.150 nan 0.000 0.445 314 A N -0.619 122.244 122.820 0.072 0.000 1.902 314 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 314 A C 2.229 179.778 177.584 -0.059 0.000 1.181 314 A CA 1.758 53.827 52.037 0.053 0.000 0.623 314 A CB -0.959 18.076 19.000 0.059 0.000 0.818 314 A HN 0.398 nan 8.150 nan 0.000 0.443 315 V N 0.098 119.915 119.914 -0.161 0.000 2.287 315 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 315 V C 2.561 178.458 176.094 -0.328 0.000 1.053 315 V CA 2.464 64.486 62.300 -0.464 0.000 1.027 315 V CB -0.710 30.834 31.823 -0.466 0.000 0.646 315 V HN 0.808 nan 8.190 nan 0.000 0.447 316 E N -0.245 119.881 120.200 -0.123 0.000 2.077 316 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 316 E C 2.178 178.758 176.600 -0.034 0.000 0.989 316 E CA 1.498 57.868 56.400 -0.050 0.000 0.800 316 E CB -0.135 29.596 29.700 0.051 0.000 0.746 316 E HN 0.471 nan 8.360 nan 0.000 0.452 317 L N 0.715 121.953 121.223 0.024 0.000 2.046 317 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 317 L C 2.266 179.118 176.870 -0.030 0.000 1.077 317 L CA 2.093 56.944 54.840 0.018 0.000 0.747 317 L CB -0.572 41.501 42.059 0.025 0.000 0.896 317 L HN 0.178 nan 8.230 nan 0.000 0.432 318 A N -1.113 121.680 122.820 -0.045 0.000 1.902 318 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 318 A C 2.204 179.818 177.584 0.050 0.000 1.181 318 A CA 1.823 53.871 52.037 0.019 0.000 0.623 318 A CB -0.579 18.477 19.000 0.093 0.000 0.818 318 A HN 0.651 nan 8.150 nan 0.000 0.443 319 Q N -0.465 119.335 119.800 -0.001 0.000 2.124 319 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 319 Q C 2.047 178.042 176.000 -0.008 0.000 0.977 319 Q CA 1.728 57.551 55.803 0.032 0.000 0.850 319 Q CB -0.163 28.574 28.738 -0.002 0.000 0.901 319 Q HN 0.643 nan 8.270 nan 0.000 0.429 320 K N 0.200 120.566 120.400 -0.055 0.000 2.148 320 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 320 K C 1.608 178.177 176.600 -0.051 0.000 1.050 320 K CA 0.821 57.055 56.287 -0.089 0.000 0.942 320 K CB 0.149 32.545 32.500 -0.172 0.000 0.724 320 K HN 0.168 nan 8.250 nan 0.000 0.446 321 L N 0.523 121.731 121.223 -0.025 0.000 2.607 321 L HA 0.097 4.437 4.340 -0.000 0.000 0.228 321 L C -0.059 176.824 176.870 0.021 0.000 1.123 321 L CA -0.193 54.636 54.840 -0.018 0.000 0.890 321 L CB -0.062 41.973 42.059 -0.039 0.000 1.103 321 L HN 0.232 nan 8.230 nan 0.000 0.468 322 N N 1.131 119.853 118.700 0.036 0.000 2.735 322 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 322 N C -0.400 175.160 175.510 0.082 0.000 1.083 322 N CA 0.722 53.806 53.050 0.056 0.000 0.703 322 N CB -1.132 37.377 38.487 0.036 0.000 1.005 322 N HN 0.280 nan 8.380 nan 0.000 0.550 323 L N 0.697 121.987 121.223 0.111 0.000 2.379 323 L HA 0.285 4.625 4.340 -0.000 0.000 0.269 323 L C 1.164 178.130 176.870 0.160 0.000 1.084 323 L CA -0.572 54.353 54.840 0.142 0.000 0.802 323 L CB 0.827 42.972 42.059 0.144 0.000 1.175 323 L HN 0.018 nan 8.230 nan 0.000 0.448 324 E N 1.166 121.432 120.200 0.111 0.000 2.392 324 E HA 0.264 4.614 4.350 -0.000 0.000 0.259 324 E C -1.475 175.219 176.600 0.158 0.000 1.108 324 E CA 0.000 56.432 56.400 0.052 0.000 0.916 324 E CB 0.784 30.472 29.700 -0.019 0.000 0.989 324 E HN 0.428 nan 8.360 nan 0.000 0.432 325 Y N -1.131 119.187 120.300 0.030 0.000 2.552 325 Y HA 0.581 5.131 4.550 0.000 0.000 0.337 325 Y C -1.300 174.626 175.900 0.044 0.000 1.094 325 Y CA -1.355 56.777 58.100 0.053 0.000 1.028 325 Y CB 1.355 39.861 38.460 0.078 0.000 1.321 325 Y HN 0.388 nan 8.280 nan 0.000 0.456 326 K N 3.682 124.228 120.400 0.243 0.000 2.513 326 K HA 0.636 4.956 4.320 -0.000 0.000 0.251 326 K C -2.121 174.681 176.600 0.337 0.000 0.939 326 K CA -0.712 55.707 56.287 0.220 0.000 0.793 326 K CB 1.559 34.129 32.500 0.117 0.000 1.241 326 K HN 0.757 nan 8.250 nan 0.000 0.431 327 I N 5.516 126.272 120.570 0.311 0.000 2.330 327 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 327 I C -0.581 175.673 176.117 0.229 0.000 1.001 327 I CA -0.854 60.610 61.300 0.273 0.000 1.193 327 I CB 0.871 39.005 38.000 0.225 0.000 1.345 327 I HN 0.582 nan 8.210 nan 0.000 0.461 328 L N 6.099 127.472 121.223 0.250 0.000 2.290 328 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 328 L C 1.001 177.979 176.870 0.180 0.000 1.078 328 L CA 0.223 55.171 54.840 0.180 0.000 0.815 328 L CB 0.947 43.069 42.059 0.106 0.000 1.162 328 L HN 0.685 nan 8.230 nan 0.000 0.435 329 G N 1.020 109.894 108.800 0.124 0.000 2.552 329 G HA2 0.426 4.386 3.960 -0.000 0.000 0.318 329 G HA3 0.426 4.386 3.960 -0.000 0.000 0.318 329 G C 0.961 175.898 174.900 0.061 0.000 1.240 329 G CA -0.046 45.111 45.100 0.096 0.000 1.002 329 G HN 0.557 nan 8.290 nan 0.000 0.493 330 V N -0.403 119.529 119.914 0.031 0.000 2.490 330 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 330 V C 2.340 178.435 176.094 0.003 0.000 1.061 330 V CA 2.727 65.023 62.300 -0.006 0.000 1.064 330 V CB -0.606 31.198 31.823 -0.031 0.000 0.670 330 V HN 0.765 nan 8.190 nan 0.000 0.461 331 K N 0.293 120.703 120.400 0.017 0.000 2.026 331 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 331 K C 2.344 178.957 176.600 0.021 0.000 1.048 331 K CA 2.102 58.399 56.287 0.017 0.000 0.929 331 K CB -0.373 32.139 32.500 0.021 0.000 0.713 331 K HN 0.716 nan 8.250 nan 0.000 0.439 332 E N 0.572 120.791 120.200 0.032 0.000 2.110 332 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 332 E C 2.084 178.701 176.600 0.028 0.000 0.988 332 E CA 1.008 57.429 56.400 0.035 0.000 0.804 332 E CB -0.032 29.698 29.700 0.051 0.000 0.745 332 E HN 0.351 nan 8.360 nan 0.000 0.458 333 L N 0.527 121.765 121.223 0.026 0.000 2.083 333 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 333 L C 2.344 179.221 176.870 0.012 0.000 1.083 333 L CA 1.294 56.148 54.840 0.022 0.000 0.752 333 L CB -0.349 41.720 42.059 0.017 0.000 0.899 333 L HN 0.146 nan 8.230 nan 0.000 0.433 334 E N -0.091 120.111 120.200 0.003 0.000 2.072 334 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 334 E C 2.054 178.662 176.600 0.013 0.000 0.985 334 E CA 1.055 57.456 56.400 0.003 0.000 0.801 334 E CB 0.017 29.716 29.700 -0.002 0.000 0.750 334 E HN 0.320 nan 8.360 nan 0.000 0.452 335 E N 1.030 121.240 120.200 0.015 0.000 2.110 335 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 335 E C 1.617 178.229 176.600 0.020 0.000 0.988 335 E CA 0.913 57.323 56.400 0.017 0.000 0.804 335 E CB -0.050 29.661 29.700 0.019 0.000 0.745 335 E HN 0.204 nan 8.360 nan 0.000 0.458 336 L N 0.116 121.355 121.223 0.025 0.000 2.599 336 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 336 L C 0.402 177.294 176.870 0.037 0.000 1.141 336 L CA 0.264 55.123 54.840 0.031 0.000 0.877 336 L CB -0.254 41.829 42.059 0.040 0.000 1.009 336 L HN 0.080 nan 8.230 nan 0.000 0.447 337 K N -0.294 120.125 120.400 0.033 0.000 3.069 337 K HA -0.202 4.118 4.320 -0.000 0.000 0.267 337 K C 0.152 176.785 176.600 0.055 0.000 1.082 337 K CA 0.564 56.873 56.287 0.038 0.000 0.782 337 K CB -1.381 31.142 32.500 0.037 0.000 1.230 337 K HN 0.322 nan 8.250 nan 0.000 0.488 338 M N 0.589 120.227 119.600 0.063 0.000 3.596 338 M HA 0.012 4.492 4.480 -0.000 0.000 0.212 338 M C 1.677 178.025 176.300 0.080 0.000 1.519 338 M CA 0.530 55.892 55.300 0.103 0.000 1.670 338 M CB 0.081 32.788 32.600 0.179 0.000 1.113 338 M HN 0.421 nan 8.290 nan 0.000 0.565 339 G N 0.302 109.139 108.800 0.063 0.000 2.448 339 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.218 339 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.218 339 G C 1.478 176.400 174.900 0.037 0.000 1.135 339 G CA 0.929 46.053 45.100 0.039 0.000 0.784 339 G HN 0.653 nan 8.290 nan 0.000 0.543 340 A N 0.254 123.113 122.820 0.065 0.000 1.872 340 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 340 A C 2.199 179.812 177.584 0.049 0.000 1.187 340 A CA 1.602 53.671 52.037 0.054 0.000 0.614 340 A CB -0.714 18.309 19.000 0.039 0.000 0.826 340 A HN 0.397 nan 8.150 nan 0.000 0.442 341 Y N 0.780 121.051 120.300 -0.048 0.000 2.145 341 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 341 Y C 1.896 177.757 175.900 -0.064 0.000 1.145 341 Y CA 1.581 59.654 58.100 -0.045 0.000 1.148 341 Y CB -0.708 37.767 38.460 0.025 0.000 0.981 341 Y HN 0.195 nan 8.280 nan 0.000 0.507 342 L N -0.668 120.427 121.223 -0.213 0.000 2.079 342 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 342 L C 2.524 179.261 176.870 -0.221 0.000 1.081 342 L CA 1.584 56.245 54.840 -0.297 0.000 0.752 342 L CB -0.711 41.238 42.059 -0.184 0.000 0.896 342 L HN 0.145 nan 8.230 nan 0.000 0.433 343 S N -0.645 114.941 115.700 -0.190 0.000 2.368 343 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 343 S C 2.034 176.287 174.600 -0.578 0.000 1.030 343 S CA 1.162 59.206 58.200 -0.260 0.000 0.999 343 S CB -0.186 62.910 63.200 -0.172 0.000 0.844 343 S HN 0.178 nan 8.310 nan 0.000 0.459 344 V N 1.451 120.991 119.914 -0.624 0.000 2.343 344 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 344 V C 2.439 178.357 176.094 -0.294 0.000 1.051 344 V CA 1.924 63.832 62.300 -0.654 0.000 1.036 344 V CB -1.246 30.403 31.823 -0.290 0.000 0.654 344 V HN 0.598 nan 8.190 nan 0.000 0.451 345 G N -1.110 107.571 108.800 -0.198 0.000 2.920 345 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.208 345 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.208 345 G C 1.507 176.366 174.900 -0.069 0.000 1.159 345 G CA 0.026 45.066 45.100 -0.100 0.000 0.784 345 G HN 0.445 nan 8.290 nan 0.000 0.535 346 K N 0.166 120.517 120.400 -0.081 0.000 2.097 346 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 346 K C 2.543 179.155 176.600 0.021 0.000 1.049 346 K CA 0.990 57.262 56.287 -0.025 0.000 0.933 346 K CB -0.127 32.375 32.500 0.003 0.000 0.717 346 K HN 0.257 nan 8.250 nan 0.000 0.442 347 G N 0.366 109.199 108.800 0.056 0.000 2.744 347 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 347 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 347 G C 0.395 175.317 174.900 0.036 0.000 1.143 347 G CA -0.056 45.087 45.100 0.072 0.000 0.788 347 G HN 0.167 nan 8.290 nan 0.000 0.534 348 S N -0.035 115.681 115.700 0.027 0.000 2.585 348 S HA 0.353 4.823 4.470 -0.000 0.000 0.277 348 S C 1.690 176.249 174.600 -0.068 0.000 1.241 348 S CA -0.534 57.677 58.200 0.019 0.000 1.041 348 S CB 0.843 64.103 63.200 0.099 0.000 0.987 348 S HN 0.299 nan 8.310 nan 0.000 0.512 349 M N 2.912 122.386 119.600 -0.210 0.000 2.562 349 M HA 0.174 4.654 4.480 -0.000 0.000 0.257 349 M C -0.899 175.153 176.300 -0.414 0.000 1.099 349 M CA 0.645 55.739 55.300 -0.342 0.000 1.099 349 M CB -0.418 31.897 32.600 -0.475 0.000 1.427 349 M HN 0.537 nan 8.290 nan 0.000 0.489 350 Y N 2.117 122.419 120.300 0.005 0.000 2.341 350 Y HA 0.518 5.068 4.550 -0.000 0.000 0.340 350 Y C -2.248 173.654 175.900 0.004 0.000 0.997 350 Y CA -2.844 55.261 58.100 0.008 0.000 1.149 350 Y CB 0.084 38.554 38.460 0.018 0.000 1.171 350 Y HN 0.006 nan 8.280 nan 0.000 0.494 351 P HA -0.038 nan 4.420 nan 0.000 0.265 351 P C -0.664 176.682 177.300 0.077 0.000 1.193 351 P CA -0.023 63.117 63.100 0.067 0.000 0.765 351 P CB 0.510 32.247 31.700 0.061 0.000 0.823 352 N N 2.781 121.485 118.700 0.006 0.000 2.353 352 N HA 0.025 4.765 4.740 -0.000 0.000 0.248 352 N C 0.015 175.590 175.510 0.108 0.000 1.240 352 N CA 0.752 53.806 53.050 0.006 0.000 0.862 352 N CB 0.042 38.348 38.487 -0.302 0.000 1.086 352 N HN 0.195 nan 8.380 nan 0.000 0.453 353 K N 1.930 122.456 120.400 0.209 0.000 2.507 353 K HA 0.278 4.598 4.320 -0.000 0.000 0.252 353 K C -1.245 175.537 176.600 0.304 0.000 0.943 353 K CA -0.515 55.907 56.287 0.226 0.000 0.808 353 K CB 1.399 33.987 32.500 0.146 0.000 1.142 353 K HN 0.414 nan 8.250 nan 0.000 0.426 354 F N 4.062 124.119 119.950 0.178 0.000 2.405 354 F HA 0.432 4.959 4.527 0.000 0.000 0.355 354 F C 0.033 175.864 175.800 0.051 0.000 1.121 354 F CA -0.950 57.096 58.000 0.077 0.000 1.112 354 F CB 0.519 39.536 39.000 0.029 0.000 1.126 354 F HN 0.400 nan 8.300 nan 0.000 0.481 355 I N 6.305 126.839 120.570 -0.060 0.000 2.371 355 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 355 I C -0.459 175.814 176.117 0.259 0.000 1.028 355 I CA -0.201 61.167 61.300 0.113 0.000 1.345 355 I CB 0.797 38.815 38.000 0.029 0.000 1.407 355 I HN 0.593 nan 8.210 nan 0.000 0.501 356 H N 7.341 126.590 119.070 0.298 0.000 2.991 356 H HA 0.507 5.063 4.556 -0.000 0.000 0.304 356 H C -1.422 174.134 175.328 0.380 0.000 1.040 356 H CA -0.791 55.485 56.048 0.379 0.000 1.410 356 H CB 0.842 30.877 29.762 0.455 0.000 1.529 356 H HN 0.467 nan 8.280 nan 0.000 0.509 357 L N 4.117 125.716 121.223 0.626 0.000 2.334 357 L HA 0.510 4.850 4.340 -0.000 0.000 0.275 357 L C -0.152 177.079 176.870 0.601 0.000 1.036 357 L CA -0.754 54.383 54.840 0.495 0.000 0.807 357 L CB 2.028 44.300 42.059 0.355 0.000 1.231 357 L HN 0.538 nan 8.230 nan 0.000 0.438 358 T N 0.432 115.208 114.554 0.370 0.000 2.879 358 T HA 0.329 4.679 4.350 -0.000 0.000 0.290 358 T C -1.289 173.568 174.700 0.262 0.000 0.993 358 T CA -0.455 61.797 62.100 0.252 0.000 0.975 358 T CB 1.196 70.103 68.868 0.063 0.000 0.981 358 T HN 0.342 nan 8.240 nan 0.000 0.439 359 Y N 3.327 123.755 120.300 0.213 0.000 2.328 359 Y HA 0.514 5.064 4.550 0.000 0.000 0.337 359 Y C -0.152 175.766 175.900 0.030 0.000 1.008 359 Y CA -0.760 57.431 58.100 0.152 0.000 1.129 359 Y CB 0.707 39.333 38.460 0.278 0.000 1.185 359 Y HN 0.481 nan 8.280 nan 0.000 0.476 360 K N 2.665 122.657 120.400 -0.680 0.000 2.378 360 K HA 0.691 5.011 4.320 -0.000 0.000 0.252 360 K C -0.817 175.321 176.600 -0.770 0.000 0.931 360 K CA -0.775 55.169 56.287 -0.573 0.000 0.794 360 K CB 0.945 33.291 32.500 -0.255 0.000 1.181 360 K HN 0.725 nan 8.250 nan 0.000 0.425 361 S N 1.272 116.687 115.700 -0.474 0.000 2.572 361 S HA 0.324 4.794 4.470 -0.000 0.000 0.279 361 S C 1.792 176.299 174.600 -0.155 0.000 1.341 361 S CA 0.041 58.105 58.200 -0.227 0.000 1.043 361 S CB 1.037 64.233 63.200 -0.006 0.000 0.887 361 S HN 0.941 nan 8.310 nan 0.000 0.516 362 K N 2.076 122.420 120.400 -0.094 0.000 2.288 362 K HA 0.159 4.479 4.320 -0.000 0.000 0.201 362 K C 1.219 177.794 176.600 -0.042 0.000 1.048 362 K CA 1.067 57.315 56.287 -0.066 0.000 0.956 362 K CB -0.954 31.521 32.500 -0.041 0.000 0.746 362 K HN 0.764 nan 8.250 nan 0.000 0.461 363 G N 0.066 108.850 108.800 -0.028 0.000 2.514 363 G HA2 0.359 4.319 3.960 -0.000 0.000 0.245 363 G HA3 0.359 4.319 3.960 -0.000 0.000 0.245 363 G C 0.059 174.947 174.900 -0.020 0.000 1.488 363 G CA 0.257 45.347 45.100 -0.017 0.000 1.063 363 G HN 0.633 nan 8.290 nan 0.000 0.557 364 D N -0.910 119.482 120.400 -0.013 0.000 2.339 364 D HA 0.440 5.080 4.640 -0.000 0.000 0.256 364 D C 0.206 176.499 176.300 -0.012 0.000 1.214 364 D CA -0.468 53.524 54.000 -0.014 0.000 0.877 364 D CB 1.012 41.806 40.800 -0.010 0.000 1.111 364 D HN 0.321 nan 8.370 nan 0.000 0.478 365 V N 2.902 122.806 119.914 -0.016 0.000 2.485 365 V HA 0.116 4.236 4.120 -0.000 0.000 0.287 365 V C 1.374 177.462 176.094 -0.011 0.000 1.022 365 V CA 0.395 62.687 62.300 -0.012 0.000 1.067 365 V CB 0.899 32.713 31.823 -0.015 0.000 0.967 365 V HN 0.733 nan 8.190 nan 0.000 0.479 366 K N 3.043 123.438 120.400 -0.009 0.000 2.360 366 K HA 0.260 4.580 4.320 -0.000 0.000 0.196 366 K C 0.189 176.774 176.600 -0.025 0.000 1.049 366 K CA -0.136 56.143 56.287 -0.014 0.000 1.049 366 K CB 0.589 33.084 32.500 -0.009 0.000 0.881 366 K HN 0.354 nan 8.250 nan 0.000 0.542 367 K N 1.323 121.710 120.400 -0.023 0.000 2.543 367 K HA 0.277 4.597 4.320 -0.000 0.000 0.255 367 K C -1.900 174.689 176.600 -0.019 0.000 0.934 367 K CA -0.372 55.889 56.287 -0.043 0.000 0.810 367 K CB 1.526 34.011 32.500 -0.025 0.000 1.315 367 K HN -0.206 nan 8.250 nan 0.000 0.433 368 K N 3.807 124.189 120.400 -0.030 0.000 2.376 368 K HA 0.593 4.913 4.320 -0.000 0.000 0.257 368 K C -0.657 175.982 176.600 0.065 0.000 0.939 368 K CA -0.653 55.657 56.287 0.037 0.000 0.809 368 K CB 1.656 34.193 32.500 0.061 0.000 1.121 368 K HN 0.443 nan 8.250 nan 0.000 0.425 369 I N 1.908 122.553 120.570 0.125 0.000 2.533 369 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 369 I C -0.746 175.480 176.117 0.181 0.000 1.056 369 I CA -0.900 60.508 61.300 0.180 0.000 1.057 369 I CB 2.138 40.244 38.000 0.176 0.000 1.240 369 I HN 0.625 nan 8.210 nan 0.000 0.423 370 A N 7.636 130.579 122.820 0.204 0.000 2.288 370 A HA 0.831 5.151 4.320 -0.000 0.000 0.320 370 A C -0.844 176.826 177.584 0.143 0.000 1.217 370 A CA -0.456 51.683 52.037 0.169 0.000 0.840 370 A CB 0.674 19.769 19.000 0.158 0.000 1.179 370 A HN 0.683 nan 8.150 nan 0.000 0.504 371 L N 3.367 124.629 121.223 0.063 0.000 2.298 371 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 371 L C -0.831 176.106 176.870 0.112 0.000 1.013 371 L CA -0.807 54.085 54.840 0.088 0.000 0.824 371 L CB 1.560 43.652 42.059 0.056 0.000 1.221 371 L HN 0.394 nan 8.230 nan 0.000 0.418 372 V N 2.104 122.089 119.914 0.119 0.000 2.417 372 V HA 0.725 4.845 4.120 -0.000 0.000 0.291 372 V C 0.445 176.580 176.094 0.068 0.000 1.024 372 V CA -0.435 61.915 62.300 0.085 0.000 0.861 372 V CB 1.705 33.595 31.823 0.111 0.000 0.985 372 V HN 0.864 nan 8.190 nan 0.000 0.436 373 G N 2.945 111.753 108.800 0.013 0.000 2.495 373 G HA2 0.547 4.507 3.960 -0.000 0.000 0.318 373 G HA3 0.547 4.507 3.960 -0.000 0.000 0.318 373 G C -0.874 173.996 174.900 -0.050 0.000 1.257 373 G CA -0.795 44.311 45.100 0.010 0.000 0.962 373 G HN 0.690 nan 8.290 nan 0.000 0.483 374 K N 0.740 121.119 120.400 -0.035 0.000 2.368 374 K HA 0.432 4.752 4.320 -0.000 0.000 0.282 374 K C 0.648 177.195 176.600 -0.088 0.000 1.035 374 K CA -0.109 56.137 56.287 -0.067 0.000 0.973 374 K CB 0.631 33.105 32.500 -0.043 0.000 0.957 374 K HN 0.467 nan 8.250 nan 0.000 0.474 375 G N 6.084 114.821 108.800 -0.105 0.000 4.828 375 G HA2 0.247 4.207 3.960 -0.000 0.000 0.294 375 G HA3 0.247 4.207 3.960 -0.000 0.000 0.294 375 G C -0.427 174.443 174.900 -0.050 0.000 1.288 375 G CA -0.454 44.593 45.100 -0.089 0.000 0.987 375 G HN 0.490 nan 8.290 nan 0.000 0.587 376 I N 2.693 123.233 120.570 -0.050 0.000 2.301 376 I HA 0.137 4.307 4.170 -0.000 0.000 0.292 376 I C 1.745 177.862 176.117 0.001 0.000 1.046 376 I CA -0.149 61.141 61.300 -0.017 0.000 1.282 376 I CB 0.687 38.665 38.000 -0.036 0.000 1.409 376 I HN 0.246 nan 8.210 nan 0.000 0.484 377 T N 2.887 117.467 114.554 0.043 0.000 2.985 377 T HA 0.015 4.365 4.350 -0.000 0.000 0.266 377 T C 0.241 175.050 174.700 0.182 0.000 1.076 377 T CA 0.634 62.773 62.100 0.065 0.000 1.135 377 T CB 0.060 68.941 68.868 0.021 0.000 0.890 377 T HN 0.310 nan 8.240 nan 0.000 0.480 378 F N 1.168 121.125 119.950 0.012 0.000 2.605 378 F HA 0.491 5.018 4.527 -0.000 0.000 0.320 378 F C -2.157 173.663 175.800 0.034 0.000 1.159 378 F CA -1.806 56.208 58.000 0.023 0.000 0.999 378 F CB 2.043 41.059 39.000 0.026 0.000 1.258 378 F HN -0.128 nan 8.300 nan 0.000 0.464 379 D N 2.750 122.730 120.400 -0.699 0.000 2.473 379 D HA 0.208 4.848 4.640 -0.000 0.000 0.226 379 D C 0.722 176.568 176.300 -0.757 0.000 1.089 379 D CA 0.156 53.851 54.000 -0.507 0.000 0.883 379 D CB 1.206 41.847 40.800 -0.265 0.000 1.029 379 D HN 0.457 nan 8.370 nan 0.000 0.517 380 S N 2.088 117.515 115.700 -0.455 0.000 2.522 380 S HA 0.164 4.634 4.470 -0.000 0.000 0.227 380 S C 1.754 176.290 174.600 -0.106 0.000 0.986 380 S CA 0.633 58.722 58.200 -0.186 0.000 0.929 380 S CB 0.011 63.289 63.200 0.130 0.000 0.769 380 S HN 0.724 nan 8.310 nan 0.000 0.529 381 G N 0.632 109.376 108.800 -0.092 0.000 2.284 381 G HA2 0.134 4.094 3.960 -0.000 0.000 0.230 381 G HA3 0.134 4.094 3.960 -0.000 0.000 0.230 381 G C 1.211 176.118 174.900 0.012 0.000 1.021 381 G CA 0.293 45.373 45.100 -0.034 0.000 0.619 381 G HN 1.873 nan 8.290 nan 0.000 0.510 382 G N -0.894 107.914 108.800 0.014 0.000 2.593 382 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.237 382 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.237 382 G C 0.471 175.340 174.900 -0.053 0.000 1.312 382 G CA 0.496 45.614 45.100 0.030 0.000 0.896 382 G HN 1.100 nan 8.290 nan 0.000 0.574 383 Y N 1.067 121.353 120.300 -0.023 0.000 2.298 383 Y HA -0.099 4.451 4.550 0.000 0.000 0.287 383 Y C 2.407 178.278 175.900 -0.049 0.000 1.164 383 Y CA 2.083 60.158 58.100 -0.041 0.000 1.229 383 Y CB -0.234 38.185 38.460 -0.068 0.000 0.977 383 Y HN 0.431 nan 8.280 nan 0.000 0.538 384 N N 1.080 119.813 118.700 0.054 0.000 3.210 384 N HA 0.100 4.840 4.740 -0.000 0.000 0.314 384 N C -0.769 174.738 175.510 -0.006 0.000 1.291 384 N CA -0.227 52.829 53.050 0.009 0.000 1.202 384 N CB -0.265 38.211 38.487 -0.018 0.000 1.475 384 N HN 0.066 nan 8.380 nan 0.000 0.554 385 L N 1.026 122.242 121.223 -0.013 0.000 2.593 385 L HA -0.101 4.239 4.340 -0.000 0.000 0.287 385 L C 0.197 177.056 176.870 -0.018 0.000 1.243 385 L CA 0.431 55.256 54.840 -0.025 0.000 0.890 385 L CB 0.312 42.352 42.059 -0.033 0.000 1.134 385 L HN 0.283 nan 8.230 nan 0.000 0.502 386 K N 5.672 126.058 120.400 -0.024 0.000 2.095 386 K HA 0.193 4.513 4.320 -0.000 0.000 0.258 386 K C 0.543 177.138 176.600 -0.009 0.000 1.120 386 K CA 0.591 56.865 56.287 -0.021 0.000 1.026 386 K CB -0.061 32.416 32.500 -0.039 0.000 1.256 386 K HN 0.749 nan 8.250 nan 0.000 0.360 387 A N 1.644 124.460 122.820 -0.007 0.000 2.419 387 A HA 0.279 4.599 4.320 -0.000 0.000 0.233 387 A C 0.743 178.324 177.584 -0.005 0.000 1.217 387 A CA -0.161 51.874 52.037 -0.004 0.000 0.944 387 A CB 0.536 19.534 19.000 -0.004 0.000 1.025 387 A HN 0.571 nan 8.150 nan 0.000 0.524 388 A N 1.353 124.169 122.820 -0.007 0.000 2.388 388 A HA 0.573 4.893 4.320 -0.000 0.000 0.257 388 A C -2.526 175.054 177.584 -0.006 0.000 1.095 388 A CA -1.227 50.806 52.037 -0.007 0.000 0.791 388 A CB -0.471 18.524 19.000 -0.008 0.000 1.029 388 A HN 0.175 nan 8.150 nan 0.000 0.489 389 P HA 0.216 nan 4.420 nan 0.000 0.261 389 P C 1.014 178.312 177.300 -0.003 0.000 1.183 389 P CA 1.970 65.067 63.100 -0.006 0.000 0.761 389 P CB 0.487 32.184 31.700 -0.005 0.000 0.785 390 G N 2.574 111.370 108.800 -0.008 0.000 2.175 390 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 390 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 390 G C 1.121 176.018 174.900 -0.006 0.000 0.982 390 G CA 0.441 45.536 45.100 -0.009 0.000 0.641 390 G HN 0.584 nan 8.290 nan 0.000 0.527 391 S N -0.143 115.553 115.700 -0.006 0.000 2.515 391 S HA 0.245 4.715 4.470 -0.000 0.000 0.231 391 S C 1.548 176.135 174.600 -0.021 0.000 0.987 391 S CA 1.188 59.384 58.200 -0.006 0.000 0.936 391 S CB -0.382 62.813 63.200 -0.008 0.000 0.766 391 S HN 1.271 nan 8.310 nan 0.000 0.528 392 M N -0.109 119.471 119.600 -0.032 0.000 2.360 392 M HA -0.180 4.300 4.480 -0.000 0.000 0.202 392 M C 0.759 177.020 176.300 -0.066 0.000 0.390 392 M CA 0.357 55.621 55.300 -0.059 0.000 0.470 392 M CB -1.794 30.759 32.600 -0.079 0.000 1.637 392 M HN 0.497 nan 8.290 nan 0.000 0.885 393 I N 1.641 122.192 120.570 -0.031 0.000 2.399 393 I HA -0.287 3.883 4.170 -0.000 0.000 0.254 393 I C 2.158 178.314 176.117 0.065 0.000 1.146 393 I CA 2.505 63.801 61.300 -0.007 0.000 1.412 393 I CB -0.033 37.995 38.000 0.047 0.000 1.076 393 I HN 0.601 nan 8.210 nan 0.000 0.432 394 D N 0.527 120.939 120.400 0.021 0.000 2.310 394 D HA -0.219 4.421 4.640 -0.000 0.000 0.212 394 D C 1.872 178.122 176.300 -0.082 0.000 0.965 394 D CA 0.742 54.749 54.000 0.012 0.000 0.879 394 D CB -0.386 40.398 40.800 -0.028 0.000 0.921 394 D HN 0.443 nan 8.370 nan 0.000 0.510 395 L N -0.661 120.443 121.223 -0.199 0.000 2.607 395 L HA 0.193 4.533 4.340 -0.000 0.000 0.228 395 L C 1.694 178.407 176.870 -0.261 0.000 1.123 395 L CA 0.180 54.734 54.840 -0.477 0.000 0.890 395 L CB -0.086 41.507 42.059 -0.777 0.000 1.103 395 L HN -0.205 nan 8.230 nan 0.000 0.468 396 M N 0.029 119.616 119.600 -0.022 0.000 2.686 396 M HA -0.071 4.409 4.480 -0.000 0.000 0.246 396 M C 1.871 178.266 176.300 0.158 0.000 1.096 396 M CA 0.740 56.041 55.300 0.002 0.000 1.076 396 M CB -0.841 31.483 32.600 -0.461 0.000 1.504 396 M HN 0.413 nan 8.290 nan 0.000 0.524 397 K N 0.790 121.376 120.400 0.310 0.000 2.362 397 K HA -0.182 4.138 4.320 -0.000 0.000 0.202 397 K C 1.498 178.216 176.600 0.196 0.000 1.045 397 K CA 1.367 57.800 56.287 0.244 0.000 0.936 397 K CB -1.000 31.574 32.500 0.124 0.000 0.747 397 K HN 0.495 nan 8.250 nan 0.000 0.467 398 F N 0.196 120.099 119.950 -0.078 0.000 2.797 398 F HA 0.199 4.726 4.527 0.000 0.000 0.302 398 F C 0.840 176.631 175.800 -0.016 0.000 1.130 398 F CA -0.466 57.511 58.000 -0.038 0.000 1.387 398 F CB 0.105 39.060 39.000 -0.075 0.000 1.107 398 F HN -0.129 nan 8.300 nan 0.000 0.577 399 D N 1.814 122.112 120.400 -0.169 0.000 2.363 399 D HA -0.036 4.604 4.640 -0.000 0.000 0.226 399 D C 1.384 177.559 176.300 -0.208 0.000 1.020 399 D CA 0.720 54.530 54.000 -0.317 0.000 0.892 399 D CB 0.019 40.725 40.800 -0.157 0.000 0.900 399 D HN 0.477 nan 8.370 nan 0.000 0.531 400 M N -2.171 117.348 119.600 -0.136 0.000 2.475 400 M HA 0.382 4.862 4.480 -0.000 0.000 0.283 400 M C 1.373 177.617 176.300 -0.094 0.000 1.165 400 M CA -0.142 55.102 55.300 -0.094 0.000 0.976 400 M CB 0.196 32.766 32.600 -0.050 0.000 1.428 400 M HN -0.321 nan 8.290 nan 0.000 0.495 401 S N 1.377 116.989 115.700 -0.147 0.000 2.399 401 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 401 S C 1.991 176.564 174.600 -0.044 0.000 1.022 401 S CA 1.541 59.687 58.200 -0.089 0.000 0.983 401 S CB -0.727 62.393 63.200 -0.134 0.000 0.803 401 S HN 0.783 nan 8.310 nan 0.000 0.480 402 G N 0.312 109.076 108.800 -0.060 0.000 2.414 402 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.215 402 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.215 402 G C 1.760 176.666 174.900 0.009 0.000 1.188 402 G CA 1.002 46.099 45.100 -0.006 0.000 0.783 402 G HN 0.596 nan 8.290 nan 0.000 0.537 403 C N 1.168 120.456 119.300 -0.020 0.000 2.398 403 C HA 0.058 4.518 4.460 -0.000 0.000 0.276 403 C C 3.428 178.427 174.990 0.015 0.000 1.222 403 C CA 1.891 60.903 59.018 -0.011 0.000 1.746 403 C CB -1.121 26.591 27.740 -0.045 0.000 2.039 403 C HN 0.548 nan 8.230 nan 0.000 0.470 404 A N 0.425 123.238 122.820 -0.011 0.000 1.883 404 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 404 A C 2.530 180.129 177.584 0.025 0.000 1.186 404 A CA 2.514 54.538 52.037 -0.021 0.000 0.624 404 A CB -1.293 17.665 19.000 -0.070 0.000 0.822 404 A HN 0.950 nan 8.150 nan 0.000 0.444 405 A N -0.651 122.190 122.820 0.034 0.000 1.908 405 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 405 A C 2.251 179.888 177.584 0.089 0.000 1.181 405 A CA 1.858 53.925 52.037 0.050 0.000 0.627 405 A CB -1.017 18.021 19.000 0.064 0.000 0.818 405 A HN 0.410 nan 8.150 nan 0.000 0.445 406 V N 0.201 120.187 119.914 0.120 0.000 2.287 406 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 406 V C 2.573 178.794 176.094 0.212 0.000 1.053 406 V CA 2.076 64.503 62.300 0.212 0.000 1.027 406 V CB -0.720 31.227 31.823 0.207 0.000 0.646 406 V HN 0.584 nan 8.190 nan 0.000 0.447 407 L N 0.113 121.422 121.223 0.143 0.000 2.093 407 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 407 L C 2.635 179.581 176.870 0.126 0.000 1.085 407 L CA 1.574 56.487 54.840 0.122 0.000 0.755 407 L CB -1.173 41.031 42.059 0.242 0.000 0.904 407 L HN 0.470 nan 8.230 nan 0.000 0.435 408 G N -0.806 108.097 108.800 0.173 0.000 2.418 408 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 408 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 408 G C 1.811 176.763 174.900 0.087 0.000 1.158 408 G CA 0.817 46.001 45.100 0.140 0.000 0.771 408 G HN 0.452 nan 8.290 nan 0.000 0.545 409 C N 0.995 120.341 119.300 0.077 0.000 2.429 409 C HA 0.164 4.624 4.460 -0.000 0.000 0.277 409 C C 3.441 178.440 174.990 0.015 0.000 1.262 409 C CA 1.585 60.662 59.018 0.098 0.000 1.733 409 C CB -1.074 26.803 27.740 0.228 0.000 2.010 409 C HN 0.542 nan 8.230 nan 0.000 0.483 410 A N -1.036 121.628 122.820 -0.261 0.000 1.940 410 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 410 A C 2.030 179.386 177.584 -0.380 0.000 1.176 410 A CA 1.921 53.452 52.037 -0.845 0.000 0.631 410 A CB -1.189 17.142 19.000 -1.114 0.000 0.814 410 A HN 0.839 nan 8.150 nan 0.000 0.446 411 Y N 0.161 120.299 120.300 -0.269 0.000 2.145 411 Y HA -0.291 4.259 4.550 0.000 0.000 0.286 411 Y C 2.514 178.372 175.900 -0.071 0.000 1.145 411 Y CA 1.747 59.743 58.100 -0.173 0.000 1.148 411 Y CB -0.805 37.546 38.460 -0.182 0.000 0.981 411 Y HN 0.361 nan 8.280 nan 0.000 0.507 412 C N -0.861 118.339 119.300 -0.166 0.000 2.446 412 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 412 C C 2.799 177.672 174.990 -0.196 0.000 1.275 412 C CA 1.009 59.944 59.018 -0.140 0.000 1.727 412 C CB -1.152 26.623 27.740 0.058 0.000 2.010 412 C HN 0.510 nan 8.230 nan 0.000 0.486 413 V N 1.320 121.120 119.914 -0.190 0.000 2.358 413 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 413 V C 2.646 178.465 176.094 -0.458 0.000 1.047 413 V CA 2.363 64.499 62.300 -0.272 0.000 1.035 413 V CB -1.423 30.322 31.823 -0.131 0.000 0.658 413 V HN 0.640 nan 8.190 nan 0.000 0.452 414 G N -0.868 107.704 108.800 -0.379 0.000 2.471 414 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 414 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 414 G C 1.635 176.396 174.900 -0.231 0.000 1.125 414 G CA 1.415 46.361 45.100 -0.258 0.000 0.775 414 G HN 0.487 nan 8.290 nan 0.000 0.548 415 T N 0.750 115.096 114.554 -0.347 0.000 2.901 415 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 415 T C 2.316 176.923 174.700 -0.156 0.000 1.035 415 T CA 0.283 62.206 62.100 -0.295 0.000 1.142 415 T CB -0.083 68.482 68.868 -0.504 0.000 0.869 415 T HN 0.112 nan 8.240 nan 0.000 0.442 416 L N 0.369 121.507 121.223 -0.143 0.000 2.313 416 L HA 0.178 4.518 4.340 -0.000 0.000 0.214 416 L C 0.355 177.191 176.870 -0.057 0.000 1.119 416 L CA 0.414 55.215 54.840 -0.066 0.000 0.809 416 L CB -0.362 41.686 42.059 -0.018 0.000 0.933 416 L HN 0.250 nan 8.230 nan 0.000 0.449 417 K N 0.116 120.447 120.400 -0.115 0.000 3.974 417 K HA -0.135 4.184 4.320 -0.000 0.000 0.280 417 K C -2.206 174.434 176.600 0.067 0.000 0.949 417 K CA -0.278 56.006 56.287 -0.005 0.000 0.817 417 K CB -1.451 31.117 32.500 0.112 0.000 1.535 417 K HN 0.245 nan 8.250 nan 0.000 0.444 418 P HA -0.007 nan 4.420 nan 0.000 0.269 418 P C -0.129 177.278 177.300 0.179 0.000 1.215 418 P CA 0.295 63.434 63.100 0.066 0.000 0.780 418 P CB 0.705 32.416 31.700 0.018 0.000 0.898 419 E N 1.019 121.283 120.200 0.106 0.000 2.280 419 E HA 0.139 4.489 4.350 -0.000 0.000 0.264 419 E C 0.385 177.027 176.600 0.069 0.000 1.064 419 E CA -0.653 55.800 56.400 0.088 0.000 0.900 419 E CB 0.247 29.976 29.700 0.048 0.000 1.123 419 E HN 0.382 nan 8.360 nan 0.000 0.418 420 N N -0.735 117.991 118.700 0.045 0.000 2.741 420 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 420 N C -0.924 174.603 175.510 0.028 0.000 1.112 420 N CA 0.818 53.883 53.050 0.024 0.000 0.750 420 N CB -1.286 37.210 38.487 0.014 0.000 1.119 420 N HN 0.224 nan 8.380 nan 0.000 0.561 421 V N -0.438 119.511 119.914 0.058 0.000 2.971 421 V HA 0.564 4.684 4.120 -0.000 0.000 0.309 421 V C -1.077 175.061 176.094 0.074 0.000 1.130 421 V CA -0.742 61.599 62.300 0.068 0.000 0.964 421 V CB 2.659 34.533 31.823 0.085 0.000 1.029 421 V HN 0.203 nan 8.190 nan 0.000 0.427 422 E N 5.487 125.711 120.200 0.040 0.000 2.224 422 E HA 0.561 4.911 4.350 -0.000 0.000 0.265 422 E C -1.853 174.727 176.600 -0.033 0.000 0.878 422 E CA -0.727 55.666 56.400 -0.012 0.000 0.759 422 E CB 1.770 31.445 29.700 -0.042 0.000 1.164 422 E HN 0.633 nan 8.360 nan 0.000 0.414 423 I N 4.019 124.545 120.570 -0.073 0.000 2.498 423 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 423 I C -0.451 175.402 176.117 -0.439 0.000 1.032 423 I CA -0.700 60.464 61.300 -0.226 0.000 1.073 423 I CB 1.490 39.315 38.000 -0.292 0.000 1.251 423 I HN 0.610 nan 8.210 nan 0.000 0.426 424 H N 5.863 124.831 119.070 -0.172 0.000 2.459 424 H HA 0.454 5.010 4.556 -0.000 0.000 0.332 424 H C -1.244 173.985 175.328 -0.166 0.000 1.094 424 H CA -0.303 55.764 56.048 0.032 0.000 1.224 424 H CB 1.732 31.586 29.762 0.154 0.000 1.449 424 H HN 0.307 nan 8.280 nan 0.000 0.484 425 F N 3.757 123.914 119.950 0.344 0.000 2.375 425 F HA 0.360 4.887 4.527 -0.000 0.000 0.361 425 F C -0.067 175.856 175.800 0.206 0.000 1.117 425 F CA -0.578 57.560 58.000 0.230 0.000 1.037 425 F CB 1.049 40.163 39.000 0.190 0.000 1.192 425 F HN 0.155 nan 8.300 nan 0.000 0.452 426 L N 2.427 123.780 121.223 0.217 0.000 2.362 426 L HA 0.767 5.107 4.340 -0.000 0.000 0.271 426 L C -0.318 176.446 176.870 -0.177 0.000 1.002 426 L CA -0.775 54.075 54.840 0.018 0.000 0.818 426 L CB 2.324 44.396 42.059 0.022 0.000 1.298 426 L HN 0.523 nan 8.230 nan 0.000 0.420 427 S N 1.126 116.531 115.700 -0.491 0.000 2.592 427 S HA 0.680 5.150 4.470 -0.000 0.000 0.275 427 S C -0.974 173.066 174.600 -0.934 0.000 1.169 427 S CA -0.439 57.440 58.200 -0.536 0.000 0.958 427 S CB 1.663 64.716 63.200 -0.245 0.000 1.095 427 S HN 0.702 nan 8.310 nan 0.000 0.471 428 A N 4.522 126.773 122.820 -0.948 0.000 2.506 428 A HA 0.603 4.923 4.320 -0.000 0.000 0.320 428 A C -0.184 177.086 177.584 -0.523 0.000 1.424 428 A CA -0.350 51.003 52.037 -1.141 0.000 1.044 428 A CB -0.244 17.911 19.000 -1.408 0.000 1.140 428 A HN 0.748 nan 8.150 nan 0.000 0.538 429 V N 2.455 122.287 119.914 -0.136 0.000 2.509 429 V HA 0.522 4.642 4.120 -0.000 0.000 0.284 429 V C 0.527 176.764 176.094 0.238 0.000 1.047 429 V CA -0.078 62.240 62.300 0.031 0.000 0.952 429 V CB 0.204 32.033 31.823 0.010 0.000 0.988 429 V HN 1.245 nan 8.190 nan 0.000 0.469 430 C N 2.220 121.622 119.300 0.170 0.000 3.249 430 C HA 0.750 5.210 4.460 -0.000 0.000 0.350 430 C C -0.958 174.102 174.990 0.115 0.000 1.431 430 C CA -0.927 58.188 59.018 0.162 0.000 1.209 430 C CB 1.580 29.431 27.740 0.185 0.000 1.546 430 C HN 0.880 nan 8.230 nan 0.000 0.450 431 E N 0.821 121.097 120.200 0.127 0.000 2.248 431 E HA 0.461 4.811 4.350 -0.000 0.000 0.267 431 E C -1.481 175.194 176.600 0.125 0.000 0.877 431 E CA -0.276 56.216 56.400 0.153 0.000 0.759 431 E CB 1.485 31.329 29.700 0.240 0.000 1.182 431 E HN 0.642 nan 8.360 nan 0.000 0.418 432 N N 5.140 123.908 118.700 0.112 0.000 2.527 432 N HA 0.229 4.969 4.740 -0.000 0.000 0.236 432 N C -1.125 174.459 175.510 0.123 0.000 0.999 432 N CA -0.098 53.010 53.050 0.097 0.000 0.935 432 N CB 0.390 38.914 38.487 0.061 0.000 1.132 432 N HN 0.426 nan 8.380 nan 0.000 0.511 433 M N 1.428 121.104 119.600 0.127 0.000 2.755 433 M HA 0.485 4.965 4.480 -0.000 0.000 0.298 433 M C -0.675 175.643 176.300 0.031 0.000 1.251 433 M CA -1.051 54.311 55.300 0.102 0.000 0.817 433 M CB 1.589 34.249 32.600 0.100 0.000 1.760 433 M HN -0.062 nan 8.290 nan 0.000 0.473 434 V N 0.651 120.532 119.914 -0.055 0.000 2.417 434 V HA 0.740 4.860 4.120 -0.000 0.000 0.291 434 V C -0.166 175.854 176.094 -0.124 0.000 1.024 434 V CA -0.247 61.912 62.300 -0.235 0.000 0.861 434 V CB 1.513 33.114 31.823 -0.371 0.000 0.985 434 V HN 0.966 nan 8.190 nan 0.000 0.436 435 S N 2.964 118.638 115.700 -0.044 0.000 2.595 435 S HA 0.314 4.784 4.470 -0.000 0.000 0.270 435 S C 0.640 175.340 174.600 0.166 0.000 1.145 435 S CA -0.222 58.011 58.200 0.054 0.000 0.825 435 S CB 1.690 64.922 63.200 0.053 0.000 1.107 435 S HN 0.869 nan 8.310 nan 0.000 0.461 436 K N 1.804 122.274 120.400 0.117 0.000 2.211 436 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 436 K C 0.788 177.455 176.600 0.111 0.000 1.047 436 K CA 2.209 58.566 56.287 0.117 0.000 0.935 436 K CB -0.624 31.913 32.500 0.062 0.000 0.728 436 K HN 0.560 nan 8.250 nan 0.000 0.452 437 N N 0.514 119.275 118.700 0.102 0.000 2.336 437 N HA 0.031 4.771 4.740 -0.000 0.000 0.189 437 N C -0.536 175.052 175.510 0.130 0.000 1.113 437 N CA -0.249 52.853 53.050 0.086 0.000 0.858 437 N CB 0.558 39.074 38.487 0.048 0.000 0.970 437 N HN 0.077 nan 8.380 nan 0.000 0.471 438 S N 0.786 116.617 115.700 0.218 0.000 2.593 438 S HA 0.049 4.519 4.470 -0.000 0.000 0.269 438 S C -0.092 174.695 174.600 0.312 0.000 1.334 438 S CA -0.698 57.680 58.200 0.297 0.000 1.015 438 S CB 0.219 63.674 63.200 0.425 0.000 0.912 438 S HN 0.290 nan 8.310 nan 0.000 0.541 439 Y N 0.793 121.149 120.300 0.092 0.000 2.385 439 Y HA 0.550 5.100 4.550 -0.000 0.000 0.346 439 Y C 0.135 176.067 175.900 0.054 0.000 1.270 439 Y CA -1.076 57.055 58.100 0.051 0.000 1.472 439 Y CB 0.185 38.668 38.460 0.038 0.000 1.354 439 Y HN 0.467 nan 8.280 nan 0.000 0.611 440 R N 1.864 122.283 120.500 -0.136 0.000 2.711 440 R HA 0.456 4.796 4.340 -0.000 0.000 0.284 440 R C -2.747 173.368 176.300 -0.308 0.000 0.968 440 R CA -2.252 53.689 56.100 -0.266 0.000 0.924 440 R CB 1.506 31.665 30.300 -0.235 0.000 1.162 440 R HN 0.466 nan 8.270 nan 0.000 0.465 441 P HA -0.061 nan 4.420 nan 0.000 0.261 441 P C 0.530 177.748 177.300 -0.136 0.000 1.173 441 P CA 1.200 64.187 63.100 -0.189 0.000 0.760 441 P CB 0.541 32.163 31.700 -0.130 0.000 0.783 442 G N 2.264 111.007 108.800 -0.095 0.000 2.268 442 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.240 442 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.240 442 G C 0.037 174.913 174.900 -0.040 0.000 1.010 442 G CA -0.188 44.876 45.100 -0.059 0.000 0.618 442 G HN 0.508 nan 8.290 nan 0.000 0.516 443 D N 0.614 120.988 120.400 -0.044 0.000 2.472 443 D HA 0.411 5.051 4.640 -0.000 0.000 0.237 443 D C 0.803 177.130 176.300 0.046 0.000 1.141 443 D CA 0.483 54.486 54.000 0.006 0.000 0.875 443 D CB 0.651 41.480 40.800 0.049 0.000 1.192 443 D HN 0.399 nan 8.370 nan 0.000 0.450 444 I N 3.023 123.624 120.570 0.051 0.000 2.378 444 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 444 I C 0.165 176.335 176.117 0.088 0.000 0.992 444 I CA -0.707 60.640 61.300 0.079 0.000 1.154 444 I CB 0.932 38.974 38.000 0.071 0.000 1.315 444 I HN 0.205 nan 8.210 nan 0.000 0.448 445 I N 1.752 122.390 120.570 0.114 0.000 2.785 445 I HA 0.614 4.784 4.170 -0.000 0.000 0.302 445 I C -0.865 175.321 176.117 0.115 0.000 1.069 445 I CA -0.464 60.901 61.300 0.108 0.000 1.045 445 I CB 2.481 40.555 38.000 0.123 0.000 1.236 445 I HN 0.286 nan 8.210 nan 0.000 0.429 446 T N 3.977 118.589 114.554 0.096 0.000 2.772 446 T HA 0.652 5.002 4.350 -0.000 0.000 0.288 446 T C 0.293 175.057 174.700 0.106 0.000 0.994 446 T CA -0.346 61.814 62.100 0.101 0.000 0.951 446 T CB 1.298 70.212 68.868 0.075 0.000 0.933 446 T HN 0.826 nan 8.240 nan 0.000 0.447 447 A N 2.377 125.284 122.820 0.145 0.000 2.327 447 A HA 0.462 4.782 4.320 -0.000 0.000 0.255 447 A C 1.695 179.356 177.584 0.128 0.000 1.099 447 A CA -0.165 51.960 52.037 0.146 0.000 0.801 447 A CB 0.016 19.160 19.000 0.239 0.000 1.062 447 A HN 0.919 nan 8.150 nan 0.000 0.496 448 S N 0.067 115.837 115.700 0.117 0.000 2.474 448 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 448 S C 0.882 175.534 174.600 0.087 0.000 0.997 448 S CA 1.060 59.315 58.200 0.092 0.000 0.949 448 S CB -0.504 62.748 63.200 0.087 0.000 0.766 448 S HN 0.875 nan 8.310 nan 0.000 0.517 449 N N 0.917 119.689 118.700 0.121 0.000 2.268 449 N HA 0.270 5.010 4.740 -0.000 0.000 0.204 449 N C 1.170 176.707 175.510 0.044 0.000 1.124 449 N CA 0.472 53.563 53.050 0.070 0.000 0.838 449 N CB -0.291 38.232 38.487 0.061 0.000 0.994 449 N HN 0.526 nan 8.380 nan 0.000 0.489 450 G N 0.053 108.894 108.800 0.068 0.000 2.199 450 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.254 450 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.254 450 G C -0.202 174.729 174.900 0.052 0.000 0.982 450 G CA 0.061 45.191 45.100 0.049 0.000 0.632 450 G HN 0.440 nan 8.290 nan 0.000 0.529 451 K N 2.203 122.643 120.400 0.066 0.000 2.412 451 K HA 0.371 4.691 4.320 -0.000 0.000 0.281 451 K C 0.914 177.590 176.600 0.127 0.000 1.027 451 K CA 0.747 57.069 56.287 0.058 0.000 0.989 451 K CB 0.518 33.015 32.500 -0.005 0.000 0.935 451 K HN 0.450 nan 8.250 nan 0.000 0.475 452 T N 0.482 115.097 114.554 0.101 0.000 2.889 452 T HA 0.529 4.879 4.350 -0.000 0.000 0.291 452 T C 0.224 175.023 174.700 0.166 0.000 0.995 452 T CA -0.742 61.433 62.100 0.126 0.000 1.092 452 T CB 0.498 69.425 68.868 0.099 0.000 0.954 452 T HN 0.363 nan 8.240 nan 0.000 0.506 453 I N 1.795 122.482 120.570 0.196 0.000 2.466 453 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 453 I C 0.016 176.246 176.117 0.188 0.000 1.026 453 I CA -0.796 60.654 61.300 0.250 0.000 1.078 453 I CB 2.196 40.401 38.000 0.341 0.000 1.249 453 I HN 0.755 nan 8.210 nan 0.000 0.429 454 E N 6.027 126.329 120.200 0.170 0.000 2.167 454 E HA 0.344 4.694 4.350 -0.000 0.000 0.284 454 E C -1.120 175.536 176.600 0.093 0.000 1.016 454 E CA -0.628 55.846 56.400 0.123 0.000 0.817 454 E CB 1.307 31.080 29.700 0.123 0.000 1.080 454 E HN 0.369 nan 8.360 nan 0.000 0.397 455 V N 4.988 124.940 119.914 0.063 0.000 2.470 455 V HA 0.158 4.278 4.120 -0.000 0.000 0.276 455 V C 1.138 177.213 176.094 -0.031 0.000 1.040 455 V CA 0.705 63.013 62.300 0.014 0.000 1.008 455 V CB 1.167 32.982 31.823 -0.014 0.000 0.990 455 V HN 0.946 nan 8.190 nan 0.000 0.477 456 G N 3.795 112.571 108.800 -0.040 0.000 2.762 456 G HA2 0.061 4.021 3.960 -0.000 0.000 0.209 456 G HA3 0.061 4.021 3.960 -0.000 0.000 0.209 456 G C 0.487 175.348 174.900 -0.065 0.000 1.134 456 G CA 0.100 45.175 45.100 -0.040 0.000 0.781 456 G HN 0.598 nan 8.290 nan 0.000 0.528 457 N N -0.094 118.554 118.700 -0.087 0.000 2.648 457 N HA 0.039 4.779 4.740 -0.000 0.000 0.272 457 N C 0.987 176.433 175.510 -0.107 0.000 1.118 457 N CA 0.343 53.341 53.050 -0.087 0.000 0.973 457 N CB 1.188 39.640 38.487 -0.059 0.000 1.565 457 N HN -0.021 nan 8.380 nan 0.000 0.542 458 T N -0.918 113.536 114.554 -0.165 0.000 3.051 458 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 458 T C 0.980 175.707 174.700 0.045 0.000 1.127 458 T CA 0.991 62.966 62.100 -0.209 0.000 1.107 458 T CB 0.078 68.729 68.868 -0.361 0.000 0.898 458 T HN 0.338 nan 8.240 nan 0.000 0.517 459 D N 1.648 122.049 120.400 0.001 0.000 2.349 459 D HA 0.218 4.858 4.640 -0.000 0.000 0.224 459 D C 1.164 177.464 176.300 -0.000 0.000 1.029 459 D CA 0.157 54.161 54.000 0.007 0.000 0.879 459 D CB -0.311 40.481 40.800 -0.014 0.000 0.906 459 D HN 0.555 nan 8.370 nan 0.000 0.528 460 A N 1.030 123.843 122.820 -0.010 0.000 3.258 460 A HA 0.128 4.448 4.320 -0.000 0.000 0.275 460 A C 1.458 179.024 177.584 -0.030 0.000 1.452 460 A CA -0.334 51.675 52.037 -0.047 0.000 1.120 460 A CB -0.254 18.683 19.000 -0.106 0.000 1.107 460 A HN 0.160 nan 8.150 nan 0.000 0.651 461 E N 0.146 120.363 120.200 0.029 0.000 2.230 461 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 461 E C 1.541 178.134 176.600 -0.013 0.000 0.987 461 E CA 1.271 57.704 56.400 0.054 0.000 0.841 461 E CB -0.894 28.863 29.700 0.096 0.000 0.783 461 E HN 0.364 nan 8.360 nan 0.000 0.481 462 G N 2.774 111.556 108.800 -0.029 0.000 2.440 462 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 462 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 462 G C 1.880 176.753 174.900 -0.045 0.000 1.154 462 G CA 1.420 46.499 45.100 -0.036 0.000 0.767 462 G HN 0.475 nan 8.290 nan 0.000 0.552 463 R N 0.231 120.686 120.500 -0.076 0.000 2.189 463 R HA 0.166 4.506 4.340 -0.000 0.000 0.223 463 R C 2.214 178.496 176.300 -0.031 0.000 1.092 463 R CA 0.924 56.982 56.100 -0.070 0.000 0.989 463 R CB -0.522 29.662 30.300 -0.193 0.000 0.876 463 R HN 0.398 nan 8.270 nan 0.000 0.457 464 L N 1.595 122.771 121.223 -0.078 0.000 2.068 464 L HA -0.079 4.261 4.340 -0.000 0.000 0.204 464 L C 2.857 179.710 176.870 -0.028 0.000 1.076 464 L CA 1.746 56.569 54.840 -0.028 0.000 0.753 464 L CB -0.830 41.223 42.059 -0.011 0.000 0.910 464 L HN 0.396 nan 8.230 nan 0.000 0.439 465 T N -1.392 113.151 114.554 -0.019 0.000 2.746 465 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 465 T C 1.876 176.501 174.700 -0.125 0.000 1.039 465 T CA 1.094 63.166 62.100 -0.048 0.000 1.142 465 T CB -0.644 68.183 68.868 -0.069 0.000 0.866 465 T HN 0.198 nan 8.240 nan 0.000 0.444 466 L N 1.102 122.270 121.223 -0.091 0.000 2.131 466 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 466 L C 3.340 180.147 176.870 -0.105 0.000 1.092 466 L CA 0.966 55.764 54.840 -0.071 0.000 0.759 466 L CB -0.849 41.202 42.059 -0.014 0.000 0.903 466 L HN 0.403 nan 8.230 nan 0.000 0.435 467 A N 0.134 122.825 122.820 -0.214 0.000 1.873 467 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 467 A C 2.027 179.429 177.584 -0.303 0.000 1.193 467 A CA 2.238 53.921 52.037 -0.590 0.000 0.629 467 A CB -0.590 17.702 19.000 -1.180 0.000 0.826 467 A HN 0.352 nan 8.150 nan 0.000 0.447 468 D N -0.420 119.891 120.400 -0.149 0.000 2.144 468 D HA 0.019 4.659 4.640 -0.000 0.000 0.200 468 D C 2.217 178.578 176.300 0.101 0.000 0.978 468 D CA 1.333 55.342 54.000 0.015 0.000 0.833 468 D CB -0.308 40.554 40.800 0.104 0.000 0.961 468 D HN 0.421 nan 8.370 nan 0.000 0.470 469 A N 0.550 123.420 122.820 0.084 0.000 1.969 469 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 469 A C 2.357 180.055 177.584 0.190 0.000 1.169 469 A CA 0.705 52.864 52.037 0.204 0.000 0.635 469 A CB -0.563 18.434 19.000 -0.005 0.000 0.810 469 A HN 0.188 nan 8.150 nan 0.000 0.445 470 L N -0.758 120.519 121.223 0.090 0.000 2.109 470 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 470 L C 2.486 179.406 176.870 0.083 0.000 1.086 470 L CA 0.721 55.604 54.840 0.072 0.000 0.760 470 L CB -0.442 41.604 42.059 -0.022 0.000 0.910 470 L HN 0.229 nan 8.230 nan 0.000 0.437 471 V N -0.789 119.186 119.914 0.102 0.000 2.295 471 V HA -0.353 3.767 4.120 -0.000 0.000 0.246 471 V C 2.225 178.371 176.094 0.087 0.000 1.049 471 V CA 1.978 64.335 62.300 0.095 0.000 1.024 471 V CB -0.662 31.235 31.823 0.123 0.000 0.648 471 V HN 0.407 nan 8.190 nan 0.000 0.447 472 Y N 1.208 121.498 120.300 -0.017 0.000 2.165 472 Y HA -0.258 4.292 4.550 0.000 0.000 0.286 472 Y C 2.389 178.251 175.900 -0.063 0.000 1.155 472 Y CA 1.844 59.903 58.100 -0.069 0.000 1.164 472 Y CB -0.405 37.976 38.460 -0.131 0.000 0.978 472 Y HN 0.165 nan 8.280 nan 0.000 0.513 473 A N -0.018 122.924 122.820 0.205 0.000 1.898 473 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 473 A C 2.173 179.746 177.584 -0.018 0.000 1.181 473 A CA 1.809 53.903 52.037 0.095 0.000 0.620 473 A CB -0.886 18.205 19.000 0.151 0.000 0.819 473 A HN 0.642 nan 8.150 nan 0.000 0.442 474 E N -0.052 120.148 120.200 -0.001 0.000 2.150 474 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 474 E C 1.784 178.339 176.600 -0.075 0.000 0.985 474 E CA 1.112 57.499 56.400 -0.023 0.000 0.814 474 E CB -0.086 29.607 29.700 -0.012 0.000 0.752 474 E HN 0.574 nan 8.360 nan 0.000 0.466 475 K N 0.104 120.430 120.400 -0.123 0.000 2.283 475 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 475 K C 1.922 178.399 176.600 -0.205 0.000 1.048 475 K CA 0.589 56.777 56.287 -0.166 0.000 0.948 475 K CB 0.020 32.386 32.500 -0.223 0.000 0.742 475 K HN 0.269 nan 8.250 nan 0.000 0.458 476 L N -0.112 120.961 121.223 -0.249 0.000 2.376 476 L HA -0.022 4.318 4.340 -0.000 0.000 0.219 476 L C 0.974 177.755 176.870 -0.149 0.000 1.133 476 L CA 0.604 55.284 54.840 -0.267 0.000 0.816 476 L CB -0.366 41.434 42.059 -0.431 0.000 0.933 476 L HN 0.356 nan 8.230 nan 0.000 0.449 477 G N 1.013 109.753 108.800 -0.100 0.000 2.291 477 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.271 477 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.271 477 G C 0.015 174.896 174.900 -0.031 0.000 1.099 477 G CA 0.120 45.187 45.100 -0.055 0.000 0.919 477 G HN 0.224 nan 8.290 nan 0.000 0.496 478 V N -3.245 116.657 119.914 -0.020 0.000 2.973 478 V HA 0.737 4.857 4.120 -0.000 0.000 0.314 478 V C 1.081 177.150 176.094 -0.041 0.000 1.066 478 V CA 0.019 62.322 62.300 0.005 0.000 1.021 478 V CB 1.665 33.528 31.823 0.066 0.000 1.076 478 V HN 0.059 nan 8.190 nan 0.000 0.462 479 D N -0.337 119.986 120.400 -0.128 0.000 2.213 479 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 479 D C -0.358 175.736 176.300 -0.343 0.000 0.961 479 D CA 1.855 55.655 54.000 -0.335 0.000 0.853 479 D CB 0.096 40.526 40.800 -0.617 0.000 0.967 479 D HN 0.655 nan 8.370 nan 0.000 0.496 480 Y N -0.379 120.002 120.300 0.135 0.000 2.457 480 Y HA 0.467 5.017 4.550 0.000 0.000 0.343 480 Y C -0.175 175.838 175.900 0.189 0.000 0.994 480 Y CA -0.982 57.225 58.100 0.179 0.000 1.031 480 Y CB 1.621 40.241 38.460 0.267 0.000 1.246 480 Y HN -0.313 nan 8.280 nan 0.000 0.449 481 I N 3.473 124.270 120.570 0.378 0.000 2.378 481 I HA 0.603 4.773 4.170 -0.000 0.000 0.291 481 I C -0.984 175.311 176.117 0.297 0.000 0.992 481 I CA -1.007 60.495 61.300 0.336 0.000 1.154 481 I CB 1.601 39.816 38.000 0.357 0.000 1.315 481 I HN 0.245 nan 8.210 nan 0.000 0.448 482 V N 4.763 124.796 119.914 0.198 0.000 2.483 482 V HA 0.318 4.438 4.120 -0.000 0.000 0.297 482 V C -0.787 175.383 176.094 0.126 0.000 1.027 482 V CA -0.621 61.704 62.300 0.042 0.000 0.855 482 V CB 1.870 33.611 31.823 -0.137 0.000 0.995 482 V HN 0.872 nan 8.190 nan 0.000 0.424 483 D N 3.864 124.371 120.400 0.177 0.000 2.299 483 D HA 0.736 5.376 4.640 -0.000 0.000 0.243 483 D C -0.621 175.783 176.300 0.174 0.000 0.982 483 D CA -0.650 53.482 54.000 0.221 0.000 0.924 483 D CB 2.623 43.630 40.800 0.344 0.000 1.238 483 D HN 0.516 nan 8.370 nan 0.000 0.484 484 I N 0.193 120.851 120.570 0.146 0.000 2.569 484 I HA 0.728 4.898 4.170 -0.000 0.000 0.290 484 I C -1.836 174.343 176.117 0.103 0.000 1.088 484 I CA -0.559 60.806 61.300 0.108 0.000 1.047 484 I CB 1.513 39.562 38.000 0.082 0.000 1.237 484 I HN 0.804 nan 8.210 nan 0.000 0.421 485 A N 3.325 126.203 122.820 0.098 0.000 2.566 485 A HA 0.565 4.885 4.320 -0.000 0.000 0.297 485 A C -0.473 177.122 177.584 0.019 0.000 1.059 485 A CA -0.349 51.730 52.037 0.071 0.000 0.691 485 A CB 1.321 20.414 19.000 0.156 0.000 1.282 485 A HN 0.695 nan 8.150 nan 0.000 0.401 486 T N 1.086 115.589 114.554 -0.086 0.000 3.945 486 T HA 0.326 4.676 4.350 -0.000 0.000 0.306 486 T C 0.707 175.378 174.700 -0.049 0.000 1.475 486 T CA -0.038 61.975 62.100 -0.145 0.000 1.177 486 T CB -0.341 68.233 68.868 -0.490 0.000 1.272 486 T HN 0.555 nan 8.240 nan 0.000 0.930 487 L N 2.534 123.785 121.223 0.048 0.000 2.168 487 L HA 0.318 4.658 4.340 -0.000 0.000 0.203 487 L C 1.057 177.970 176.870 0.073 0.000 1.078 487 L CA 1.148 56.033 54.840 0.075 0.000 0.780 487 L CB 0.131 42.291 42.059 0.168 0.000 0.939 487 L HN 0.803 nan 8.230 nan 0.000 0.451 488 T N -4.599 110.017 114.554 0.103 0.000 2.928 488 T HA 0.484 4.834 4.350 -0.000 0.000 0.296 488 T C 0.932 175.712 174.700 0.133 0.000 1.000 488 T CA -0.323 61.838 62.100 0.102 0.000 0.989 488 T CB 1.292 70.221 68.868 0.101 0.000 1.005 488 T HN 0.116 nan 8.240 nan 0.000 0.442 489 G N 1.470 110.350 108.800 0.133 0.000 2.485 489 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.221 489 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.221 489 G C 1.590 176.621 174.900 0.217 0.000 1.115 489 G CA 0.705 45.905 45.100 0.166 0.000 0.751 489 G HN 1.193 nan 8.290 nan 0.000 0.567 490 A N 0.459 123.402 122.820 0.204 0.000 2.076 490 A HA -0.002 4.318 4.320 -0.000 0.000 0.220 490 A C 2.348 180.079 177.584 0.245 0.000 1.160 490 A CA 1.688 53.877 52.037 0.253 0.000 0.653 490 A CB -0.300 18.789 19.000 0.150 0.000 0.801 490 A HN 0.308 nan 8.150 nan 0.000 0.455 491 M N -0.513 119.199 119.600 0.187 0.000 2.202 491 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 491 M C 1.989 178.340 176.300 0.085 0.000 1.063 491 M CA 1.181 56.572 55.300 0.150 0.000 1.097 491 M CB -1.388 31.295 32.600 0.139 0.000 1.382 491 M HN 0.431 nan 8.290 nan 0.000 0.413 492 L N -1.801 119.448 121.223 0.043 0.000 2.131 492 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 492 L C 2.008 178.701 176.870 -0.295 0.000 1.092 492 L CA 1.182 55.936 54.840 -0.143 0.000 0.759 492 L CB -0.649 41.255 42.059 -0.258 0.000 0.903 492 L HN 0.226 nan 8.230 nan 0.000 0.435 493 Y N -1.269 119.034 120.300 0.005 0.000 2.517 493 Y HA -0.081 4.469 4.550 -0.000 0.000 0.281 493 Y C 2.693 178.588 175.900 -0.008 0.000 1.125 493 Y CA 0.750 58.845 58.100 -0.008 0.000 1.283 493 Y CB -0.007 38.451 38.460 -0.004 0.000 1.042 493 Y HN 0.236 nan 8.280 nan 0.000 0.547 494 S N -1.081 114.690 115.700 0.118 0.000 2.527 494 S HA 0.077 4.547 4.470 -0.000 0.000 0.225 494 S C 1.471 176.065 174.600 -0.009 0.000 1.046 494 S CA 0.292 58.538 58.200 0.075 0.000 0.929 494 S CB -0.511 62.762 63.200 0.122 0.000 0.851 494 S HN 0.318 nan 8.310 nan 0.000 0.565 495 L N 1.061 122.279 121.223 -0.009 0.000 2.575 495 L HA 0.421 4.761 4.340 -0.000 0.000 0.228 495 L C 1.554 178.368 176.870 -0.094 0.000 1.075 495 L CA 0.363 55.159 54.840 -0.075 0.000 0.867 495 L CB -0.276 41.788 42.059 0.008 0.000 1.097 495 L HN 0.739 nan 8.230 nan 0.000 0.485 496 G N 1.023 109.788 108.800 -0.058 0.000 2.499 496 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.232 496 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.232 496 G C 0.582 175.481 174.900 -0.003 0.000 1.251 496 G CA 0.172 45.230 45.100 -0.069 0.000 0.917 496 G HN 0.187 nan 8.290 nan 0.000 0.580 497 T N -2.614 111.953 114.554 0.022 0.000 3.065 497 T HA 0.410 4.760 4.350 -0.000 0.000 0.252 497 T C 2.155 176.919 174.700 0.106 0.000 1.099 497 T CA 1.811 63.973 62.100 0.105 0.000 1.063 497 T CB 0.336 69.302 68.868 0.163 0.000 0.948 497 T HN 0.645 nan 8.240 nan 0.000 0.506 498 S N -0.225 115.541 115.700 0.110 0.000 2.427 498 S HA 0.292 4.762 4.470 -0.000 0.000 0.224 498 S C -0.012 174.821 174.600 0.389 0.000 1.047 498 S CA -0.168 58.171 58.200 0.231 0.000 0.953 498 S CB -0.098 63.249 63.200 0.245 0.000 0.824 498 S HN 0.622 nan 8.310 nan 0.000 0.502 499 Y N 1.087 121.391 120.300 0.008 0.000 2.360 499 Y HA 0.622 5.172 4.550 -0.000 0.000 0.337 499 Y C 0.366 176.238 175.900 -0.046 0.000 1.039 499 Y CA -1.379 56.744 58.100 0.039 0.000 1.109 499 Y CB 1.058 39.555 38.460 0.061 0.000 1.201 499 Y HN 0.142 nan 8.280 nan 0.000 0.458 500 A N 2.108 124.948 122.820 0.033 0.000 2.304 500 A HA 0.626 4.946 4.320 -0.000 0.000 0.271 500 A C 0.336 177.971 177.584 0.085 0.000 1.091 500 A CA -0.032 51.970 52.037 -0.059 0.000 0.812 500 A CB 0.180 19.075 19.000 -0.175 0.000 1.056 500 A HN 0.857 nan 8.150 nan 0.000 0.489 501 G N -0.873 107.955 108.800 0.046 0.000 2.371 501 G HA2 0.522 4.482 3.960 -0.000 0.000 0.326 501 G HA3 0.522 4.482 3.960 -0.000 0.000 0.326 501 G C -0.956 173.869 174.900 -0.125 0.000 1.127 501 G CA -0.264 44.822 45.100 -0.023 0.000 0.885 501 G HN 1.238 nan 8.290 nan 0.000 0.477 502 V N 2.731 122.507 119.914 -0.231 0.000 2.495 502 V HA 0.838 4.958 4.120 -0.000 0.000 0.298 502 V C -1.221 174.688 176.094 -0.308 0.000 1.031 502 V CA -0.921 61.251 62.300 -0.214 0.000 0.871 502 V CB 0.970 32.681 31.823 -0.187 0.000 0.988 502 V HN 0.542 nan 8.190 nan 0.000 0.432 503 F N 4.281 124.209 119.950 -0.036 0.000 2.579 503 F HA 0.984 5.511 4.527 -0.000 0.000 0.324 503 F C 0.707 176.382 175.800 -0.209 0.000 1.058 503 F CA -0.019 58.014 58.000 0.055 0.000 0.944 503 F CB 2.532 41.618 39.000 0.144 0.000 1.245 503 F HN 0.795 nan 8.300 nan 0.000 0.477 504 G N 0.464 109.295 108.800 0.053 0.000 2.495 504 G HA2 0.273 4.233 3.960 -0.000 0.000 0.294 504 G HA3 0.273 4.233 3.960 -0.000 0.000 0.294 504 G C -1.280 173.684 174.900 0.107 0.000 1.397 504 G CA -0.888 44.078 45.100 -0.223 0.000 0.790 504 G HN 0.615 nan 8.290 nan 0.000 0.486 505 N N -0.506 118.315 118.700 0.203 0.000 2.203 505 N HA 0.105 4.845 4.740 -0.000 0.000 0.207 505 N C -0.061 175.553 175.510 0.174 0.000 1.130 505 N CA -0.311 52.912 53.050 0.287 0.000 0.861 505 N CB 0.643 39.380 38.487 0.418 0.000 1.005 505 N HN 0.454 nan 8.380 nan 0.000 0.507 506 N N 0.479 119.230 118.700 0.084 0.000 2.572 506 N HA 0.013 4.753 4.740 -0.000 0.000 0.287 506 N C -0.491 174.971 175.510 -0.079 0.000 1.136 506 N CA -0.073 53.001 53.050 0.039 0.000 0.900 506 N CB 1.752 40.289 38.487 0.083 0.000 1.484 506 N HN 0.137 nan 8.380 nan 0.000 0.526 507 E N 2.525 122.674 120.200 -0.085 0.000 2.106 507 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 507 E C 1.638 178.094 176.600 -0.240 0.000 0.984 507 E CA 1.977 58.238 56.400 -0.231 0.000 0.806 507 E CB 0.333 29.958 29.700 -0.124 0.000 0.750 507 E HN 0.775 nan 8.360 nan 0.000 0.458 508 E N 0.868 120.996 120.200 -0.119 0.000 2.085 508 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 508 E C 1.843 178.353 176.600 -0.151 0.000 0.994 508 E CA 1.433 57.776 56.400 -0.095 0.000 0.801 508 E CB -0.910 28.788 29.700 -0.002 0.000 0.743 508 E HN 0.273 nan 8.360 nan 0.000 0.453 509 L N -0.165 120.960 121.223 -0.163 0.000 2.056 509 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 509 L C 2.497 179.152 176.870 -0.359 0.000 1.078 509 L CA 1.624 56.298 54.840 -0.277 0.000 0.749 509 L CB -0.277 41.645 42.059 -0.228 0.000 0.901 509 L HN 0.394 nan 8.230 nan 0.000 0.433 510 I N 0.238 120.560 120.570 -0.413 0.000 2.163 510 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 510 I C 2.107 177.920 176.117 -0.508 0.000 1.085 510 I CA 1.372 62.333 61.300 -0.565 0.000 1.347 510 I CB -0.616 36.837 38.000 -0.912 0.000 1.044 510 I HN 0.372 nan 8.210 nan 0.000 0.408 511 N N 0.983 119.417 118.700 -0.444 0.000 2.149 511 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 511 N C 1.720 177.102 175.510 -0.212 0.000 1.019 511 N CA 1.263 54.125 53.050 -0.314 0.000 0.857 511 N CB -0.259 38.084 38.487 -0.241 0.000 0.997 511 N HN 0.413 nan 8.380 nan 0.000 0.426 512 K N 0.295 120.586 120.400 -0.183 0.000 2.097 512 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 512 K C 1.815 178.369 176.600 -0.077 0.000 1.049 512 K CA 0.640 56.887 56.287 -0.067 0.000 0.933 512 K CB 0.056 32.579 32.500 0.038 0.000 0.717 512 K HN 0.123 nan 8.250 nan 0.000 0.442 513 I N 1.378 121.792 120.570 -0.259 0.000 2.252 513 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 513 I C 2.244 178.243 176.117 -0.197 0.000 1.102 513 I CA 1.375 62.492 61.300 -0.306 0.000 1.385 513 I CB -0.948 36.801 38.000 -0.418 0.000 1.064 513 I HN 0.174 nan 8.210 nan 0.000 0.414 514 L N 0.153 121.246 121.223 -0.216 0.000 2.083 514 L HA -0.253 4.087 4.340 -0.000 0.000 0.209 514 L C 2.650 179.450 176.870 -0.118 0.000 1.083 514 L CA 1.283 56.018 54.840 -0.175 0.000 0.752 514 L CB -0.640 41.287 42.059 -0.220 0.000 0.899 514 L HN 0.274 nan 8.230 nan 0.000 0.433 515 Q N 0.192 119.933 119.800 -0.098 0.000 2.079 515 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 515 Q C 2.265 178.248 176.000 -0.028 0.000 0.974 515 Q CA 2.115 57.886 55.803 -0.054 0.000 0.840 515 Q CB -0.160 28.555 28.738 -0.038 0.000 0.898 515 Q HN 0.324 nan 8.270 nan 0.000 0.430 516 S N -0.322 115.372 115.700 -0.009 0.000 2.382 516 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 516 S C 1.934 176.516 174.600 -0.029 0.000 1.027 516 S CA 1.115 59.325 58.200 0.017 0.000 0.991 516 S CB -0.607 62.633 63.200 0.067 0.000 0.823 516 S HN 0.540 nan 8.310 nan 0.000 0.469 517 S N 1.515 117.175 115.700 -0.067 0.000 2.368 517 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 517 S C 1.920 176.466 174.600 -0.091 0.000 1.030 517 S CA 1.619 59.765 58.200 -0.091 0.000 0.999 517 S CB -0.306 62.837 63.200 -0.094 0.000 0.844 517 S HN 0.547 nan 8.310 nan 0.000 0.459 518 K N 0.016 120.372 120.400 -0.072 0.000 2.057 518 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 518 K C 2.088 178.661 176.600 -0.045 0.000 1.049 518 K CA 1.903 58.153 56.287 -0.062 0.000 0.931 518 K CB -0.540 31.934 32.500 -0.044 0.000 0.714 518 K HN 0.634 nan 8.250 nan 0.000 0.440 519 T N -2.067 112.477 114.554 -0.017 0.000 3.067 519 T HA 0.002 4.352 4.350 -0.000 0.000 0.257 519 T C 1.856 176.586 174.700 0.050 0.000 1.105 519 T CA 0.832 62.943 62.100 0.019 0.000 1.104 519 T CB 0.053 68.944 68.868 0.038 0.000 0.925 519 T HN 0.274 nan 8.240 nan 0.000 0.498 520 S N 1.497 117.211 115.700 0.024 0.000 2.501 520 S HA 0.084 4.554 4.470 -0.000 0.000 0.220 520 S C 1.055 175.651 174.600 -0.006 0.000 0.997 520 S CA 0.082 58.314 58.200 0.054 0.000 0.919 520 S CB -0.598 62.593 63.200 -0.015 0.000 0.778 520 S HN 0.514 nan 8.310 nan 0.000 0.523 521 N N 1.612 120.229 118.700 -0.137 0.000 2.741 521 N HA -0.127 4.613 4.740 -0.000 0.000 0.250 521 N C -1.243 174.095 175.510 -0.287 0.000 1.115 521 N CA 0.968 53.812 53.050 -0.342 0.000 0.724 521 N CB -1.333 36.669 38.487 -0.808 0.000 1.090 521 N HN 0.727 nan 8.380 nan 0.000 0.558 522 E N 0.983 121.060 120.200 -0.204 0.000 2.073 522 E HA 0.262 4.612 4.350 -0.000 0.000 0.269 522 E C -2.348 174.185 176.600 -0.111 0.000 0.917 522 E CA -1.554 54.701 56.400 -0.243 0.000 0.757 522 E CB 1.254 30.590 29.700 -0.606 0.000 1.111 522 E HN 0.118 nan 8.360 nan 0.000 0.410 523 P HA 0.139 nan 4.420 nan 0.000 0.279 523 P C -0.547 176.722 177.300 -0.052 0.000 1.239 523 P CA -0.258 62.701 63.100 -0.235 0.000 0.789 523 P CB 1.204 32.475 31.700 -0.716 0.000 0.933 524 V N 3.410 123.277 119.914 -0.079 0.000 2.971 524 V HA 0.444 4.564 4.120 -0.000 0.000 0.309 524 V C -0.963 175.247 176.094 0.192 0.000 1.130 524 V CA -0.598 61.756 62.300 0.089 0.000 0.964 524 V CB 3.033 34.887 31.823 0.052 0.000 1.029 524 V HN 0.657 nan 8.190 nan 0.000 0.427 525 W N 3.461 124.793 121.300 0.054 0.000 2.736 525 W HA 0.431 5.091 4.660 0.000 0.000 0.335 525 W C -1.392 175.158 176.519 0.052 0.000 1.059 525 W CA -0.801 56.606 57.345 0.103 0.000 1.226 525 W CB 2.047 31.622 29.460 0.192 0.000 1.416 525 W HN 0.752 nan 8.180 nan 0.000 0.505 526 W N 7.483 128.510 121.300 -0.455 0.000 2.356 526 W HA 0.440 5.100 4.660 -0.000 0.000 0.311 526 W C -1.342 174.998 176.519 -0.299 0.000 1.328 526 W CA -0.597 56.509 57.345 -0.399 0.000 1.251 526 W CB -0.008 29.198 29.460 -0.424 0.000 1.280 526 W HN 0.162 nan 8.180 nan 0.000 0.524 527 L N 9.341 130.408 121.223 -0.259 0.000 2.342 527 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 527 L C -1.731 174.944 176.870 -0.325 0.000 1.008 527 L CA -2.277 52.307 54.840 -0.425 0.000 0.818 527 L CB 2.270 43.934 42.059 -0.659 0.000 1.296 527 L HN 0.273 nan 8.230 nan 0.000 0.427 528 P HA 0.281 nan 4.420 nan 0.000 0.282 528 P C -0.899 176.580 177.300 0.298 0.000 1.249 528 P CA -0.289 62.801 63.100 -0.017 0.000 0.806 528 P CB 1.279 32.918 31.700 -0.102 0.000 0.984 529 I N 3.409 124.154 120.570 0.291 0.000 2.297 529 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 529 I C 0.631 176.822 176.117 0.124 0.000 1.033 529 I CA -0.566 60.904 61.300 0.283 0.000 1.253 529 I CB 0.376 38.566 38.000 0.317 0.000 1.396 529 I HN 0.112 nan 8.210 nan 0.000 0.476 530 I N 6.875 127.470 120.570 0.042 0.000 2.291 530 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 530 I C 1.157 177.148 176.117 -0.209 0.000 1.064 530 I CA -0.240 60.949 61.300 -0.186 0.000 1.269 530 I CB 0.517 38.212 38.000 -0.508 0.000 1.418 530 I HN 0.578 nan 8.210 nan 0.000 0.485 531 N N 4.254 122.887 118.700 -0.111 0.000 2.364 531 N HA -0.205 4.535 4.740 -0.000 0.000 0.183 531 N C 1.607 177.071 175.510 -0.077 0.000 1.022 531 N CA 0.932 53.950 53.050 -0.052 0.000 0.883 531 N CB 0.047 38.526 38.487 -0.012 0.000 0.965 531 N HN 0.611 nan 8.380 nan 0.000 0.438 532 E N 0.117 120.204 120.200 -0.188 0.000 2.209 532 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 532 E C 0.926 177.544 176.600 0.031 0.000 0.993 532 E CA 0.949 57.278 56.400 -0.119 0.000 0.819 532 E CB -0.077 29.521 29.700 -0.170 0.000 0.745 532 E HN 0.576 nan 8.360 nan 0.000 0.477 533 Y N -1.124 119.205 120.300 0.048 0.000 2.546 533 Y HA 0.025 4.575 4.550 -0.000 0.000 0.287 533 Y C 2.231 178.161 175.900 0.050 0.000 1.158 533 Y CA -0.197 57.932 58.100 0.048 0.000 1.307 533 Y CB 0.163 38.657 38.460 0.057 0.000 1.036 533 Y HN -0.015 nan 8.280 nan 0.000 0.532 534 R N 1.997 122.595 120.500 0.164 0.000 2.096 534 R HA -0.200 4.140 4.340 -0.000 0.000 0.240 534 R C 2.217 178.576 176.300 0.098 0.000 1.139 534 R CA 1.772 57.941 56.100 0.115 0.000 0.952 534 R CB -0.953 29.386 30.300 0.064 0.000 0.854 534 R HN 0.248 nan 8.270 nan 0.000 0.436 535 A N -0.521 122.351 122.820 0.086 0.000 2.024 535 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 535 A C 2.071 179.696 177.584 0.069 0.000 1.164 535 A CA 2.141 54.216 52.037 0.064 0.000 0.643 535 A CB -1.208 17.825 19.000 0.054 0.000 0.806 535 A HN 0.667 nan 8.150 nan 0.000 0.451 536 T N -2.402 112.206 114.554 0.090 0.000 3.113 536 T HA 0.146 4.496 4.350 -0.000 0.000 0.263 536 T C 1.246 175.990 174.700 0.074 0.000 1.143 536 T CA 0.935 63.078 62.100 0.070 0.000 1.090 536 T CB -0.378 68.525 68.868 0.058 0.000 0.922 536 T HN 0.343 nan 8.240 nan 0.000 0.521 537 L N 0.509 121.789 121.223 0.094 0.000 2.607 537 L HA 0.303 4.643 4.340 -0.000 0.000 0.228 537 L C 0.194 177.120 176.870 0.094 0.000 1.123 537 L CA -0.472 54.437 54.840 0.116 0.000 0.890 537 L CB -0.388 41.770 42.059 0.166 0.000 1.103 537 L HN 0.125 nan 8.230 nan 0.000 0.468 538 N N 1.068 119.805 118.700 0.062 0.000 2.452 538 N HA 0.003 4.742 4.740 -0.000 0.000 0.266 538 N C -0.063 175.469 175.510 0.036 0.000 1.209 538 N CA 0.340 53.413 53.050 0.038 0.000 0.929 538 N CB 1.158 39.656 38.487 0.019 0.000 1.063 538 N HN -0.080 nan 8.380 nan 0.000 0.472 539 S N 1.248 116.970 115.700 0.037 0.000 2.489 539 S HA 0.195 4.665 4.470 -0.000 0.000 0.291 539 S C 1.224 175.809 174.600 -0.026 0.000 1.151 539 S CA -0.685 57.540 58.200 0.041 0.000 1.082 539 S CB 1.081 64.333 63.200 0.088 0.000 1.019 539 S HN 0.499 nan 8.310 nan 0.000 0.492 540 K N 3.609 123.963 120.400 -0.076 0.000 2.152 540 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 540 K C 0.619 176.908 176.600 -0.518 0.000 1.048 540 K CA 2.050 58.159 56.287 -0.298 0.000 0.933 540 K CB -0.302 31.976 32.500 -0.370 0.000 0.721 540 K HN 0.787 nan 8.250 nan 0.000 0.447 541 Y N -1.251 119.062 120.300 0.022 0.000 2.506 541 Y HA 0.445 4.995 4.550 -0.000 0.000 0.287 541 Y C 1.032 176.949 175.900 0.028 0.000 1.147 541 Y CA 0.107 58.221 58.100 0.022 0.000 1.241 541 Y CB -0.282 38.189 38.460 0.020 0.000 1.279 541 Y HN 0.017 nan 8.280 nan 0.000 0.527 542 A N 0.188 123.117 122.820 0.182 0.000 2.240 542 A HA 0.221 4.541 4.320 -0.000 0.000 0.292 542 A C 0.658 178.292 177.584 0.084 0.000 1.121 542 A CA -0.037 52.079 52.037 0.131 0.000 0.851 542 A CB 0.047 19.133 19.000 0.143 0.000 1.167 542 A HN 0.255 nan 8.150 nan 0.000 0.503 543 D N -0.838 119.607 120.400 0.074 0.000 2.178 543 D HA 0.064 4.704 4.640 -0.000 0.000 0.202 543 D C 0.304 176.630 176.300 0.043 0.000 0.974 543 D CA 1.547 55.570 54.000 0.038 0.000 0.841 543 D CB 0.106 40.915 40.800 0.015 0.000 0.953 543 D HN 0.409 nan 8.370 nan 0.000 0.478 544 I N -0.303 120.326 120.570 0.098 0.000 2.918 544 I HA 0.134 4.304 4.170 -0.000 0.000 0.301 544 I C -1.473 174.770 176.117 0.209 0.000 1.312 544 I CA -0.785 60.596 61.300 0.135 0.000 1.007 544 I CB 1.984 40.054 38.000 0.118 0.000 1.281 544 I HN -0.347 nan 8.210 nan 0.000 0.440 545 N N 5.039 123.860 118.700 0.201 0.000 2.514 545 N HA 0.130 4.870 4.740 -0.000 0.000 0.277 545 N C 0.389 176.057 175.510 0.264 0.000 1.126 545 N CA -0.097 53.068 53.050 0.191 0.000 0.978 545 N CB 1.663 40.224 38.487 0.123 0.000 1.106 545 N HN 0.649 nan 8.380 nan 0.000 0.461 546 Q N 2.110 121.981 119.800 0.118 0.000 2.084 546 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 546 Q C 0.322 176.189 176.000 -0.220 0.000 0.978 546 Q CA 1.235 56.908 55.803 -0.216 0.000 0.844 546 Q CB 0.168 28.796 28.738 -0.184 0.000 0.898 546 Q HN 0.768 nan 8.270 nan 0.000 0.426 547 I N -3.490 117.040 120.570 -0.066 0.000 3.002 547 I HA 0.487 4.657 4.170 -0.000 0.000 0.310 547 I C -0.431 175.690 176.117 0.008 0.000 1.087 547 I CA -1.172 60.101 61.300 -0.045 0.000 1.017 547 I CB 2.085 40.049 38.000 -0.059 0.000 1.226 547 I HN -0.242 nan 8.210 nan 0.000 0.443 548 S N 0.963 116.665 115.700 0.003 0.000 2.565 548 S HA 0.284 4.754 4.470 -0.000 0.000 0.274 548 S C 1.019 175.612 174.600 -0.011 0.000 1.309 548 S CA 0.005 58.209 58.200 0.005 0.000 1.043 548 S CB 0.948 64.139 63.200 -0.016 0.000 0.939 548 S HN 0.823 nan 8.310 nan 0.000 0.504 549 S N 2.543 118.240 115.700 -0.005 0.000 2.486 549 S HA -0.012 4.458 4.470 -0.000 0.000 0.220 549 S C 1.655 176.239 174.600 -0.026 0.000 1.011 549 S CA 0.635 58.827 58.200 -0.013 0.000 0.921 549 S CB -0.242 62.957 63.200 -0.003 0.000 0.785 549 S HN 0.768 nan 8.310 nan 0.000 0.517 550 S N 0.554 116.236 115.700 -0.031 0.000 2.499 550 S HA 0.286 4.756 4.470 -0.000 0.000 0.225 550 S C 0.449 174.996 174.600 -0.088 0.000 1.050 550 S CA -0.223 57.949 58.200 -0.047 0.000 0.928 550 S CB -0.427 62.755 63.200 -0.029 0.000 0.803 550 S HN 0.231 nan 8.310 nan 0.000 0.506 551 V N 3.321 123.160 119.914 -0.125 0.000 2.432 551 V HA 0.304 4.424 4.120 -0.000 0.000 0.271 551 V C 0.750 176.735 176.094 -0.181 0.000 1.046 551 V CA -0.322 61.837 62.300 -0.235 0.000 0.945 551 V CB 1.288 32.868 31.823 -0.406 0.000 0.992 551 V HN 0.401 nan 8.190 nan 0.000 0.471 552 K N 3.417 123.714 120.400 -0.171 0.000 2.400 552 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 552 K C 1.143 177.683 176.600 -0.100 0.000 1.033 552 K CA 0.572 56.788 56.287 -0.118 0.000 1.021 552 K CB 0.284 32.721 32.500 -0.104 0.000 0.808 552 K HN 0.719 nan 8.250 nan 0.000 0.505 553 A N 2.199 124.935 122.820 -0.140 0.000 3.052 553 A HA 0.025 4.345 4.320 -0.000 0.000 0.266 553 A C 1.488 179.072 177.584 0.001 0.000 1.855 553 A CA 0.005 52.013 52.037 -0.047 0.000 1.473 553 A CB -0.669 18.306 19.000 -0.042 0.000 1.038 553 A HN 0.301 nan 8.150 nan 0.000 0.619 554 S N 0.258 115.962 115.700 0.007 0.000 2.399 554 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 554 S C 1.806 176.425 174.600 0.032 0.000 1.022 554 S CA 1.670 59.876 58.200 0.010 0.000 0.983 554 S CB -0.368 62.835 63.200 0.006 0.000 0.803 554 S HN 0.559 nan 8.310 nan 0.000 0.480 555 S N 2.043 117.786 115.700 0.070 0.000 2.383 555 S HA 0.140 4.610 4.470 -0.000 0.000 0.227 555 S C 1.775 176.283 174.600 -0.154 0.000 1.026 555 S CA 1.288 59.510 58.200 0.037 0.000 0.981 555 S CB -0.487 62.840 63.200 0.213 0.000 0.818 555 S HN 0.540 nan 8.310 nan 0.000 0.472 556 I N 1.160 121.745 120.570 0.026 0.000 2.286 556 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 556 I C 2.170 178.341 176.117 0.091 0.000 1.104 556 I CA 0.715 62.057 61.300 0.071 0.000 1.397 556 I CB -0.479 37.722 38.000 0.336 0.000 1.072 556 I HN 0.131 nan 8.210 nan 0.000 0.417 557 V N 1.301 121.280 119.914 0.108 0.000 2.255 557 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 557 V C 2.820 178.975 176.094 0.102 0.000 1.051 557 V CA 2.092 64.461 62.300 0.115 0.000 1.018 557 V CB -1.184 30.675 31.823 0.059 0.000 0.641 557 V HN 0.506 nan 8.190 nan 0.000 0.445 558 A N -0.165 122.677 122.820 0.037 0.000 1.903 558 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 558 A C 2.476 180.096 177.584 0.060 0.000 1.191 558 A CA 2.692 54.748 52.037 0.031 0.000 0.638 558 A CB -0.913 18.078 19.000 -0.014 0.000 0.823 558 A HN 0.534 nan 8.150 nan 0.000 0.451 559 S N -0.413 115.268 115.700 -0.032 0.000 2.368 559 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 559 S C 1.810 176.557 174.600 0.245 0.000 1.030 559 S CA 1.423 59.666 58.200 0.072 0.000 0.999 559 S CB -0.446 62.679 63.200 -0.125 0.000 0.844 559 S HN 0.498 nan 8.310 nan 0.000 0.459 560 L N -0.106 121.233 121.223 0.194 0.000 2.046 560 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 560 L C 2.203 179.167 176.870 0.157 0.000 1.077 560 L CA 1.369 56.319 54.840 0.184 0.000 0.747 560 L CB -0.422 41.747 42.059 0.183 0.000 0.896 560 L HN 0.292 nan 8.230 nan 0.000 0.432 561 F N 0.318 120.313 119.950 0.075 0.000 2.113 561 F HA -0.202 4.325 4.527 0.000 0.000 0.297 561 F C 2.188 178.077 175.800 0.148 0.000 1.103 561 F CA 1.480 59.545 58.000 0.109 0.000 1.248 561 F CB -0.114 38.941 39.000 0.093 0.000 0.999 561 F HN -0.142 nan 8.300 nan 0.000 0.475 562 L N 0.380 121.733 121.223 0.216 0.000 2.083 562 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 562 L C 2.492 179.139 176.870 -0.371 0.000 1.083 562 L CA 1.773 56.615 54.840 0.004 0.000 0.752 562 L CB -0.801 41.272 42.059 0.023 0.000 0.899 562 L HN 0.135 nan 8.230 nan 0.000 0.433 563 K N 0.242 120.408 120.400 -0.389 0.000 2.160 563 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 563 K C 1.839 178.207 176.600 -0.387 0.000 1.047 563 K CA 1.260 57.250 56.287 -0.495 0.000 0.930 563 K CB 0.087 32.566 32.500 -0.035 0.000 0.720 563 K HN 0.228 nan 8.250 nan 0.000 0.450 564 E N -0.447 119.525 120.200 -0.381 0.000 2.409 564 E HA -0.138 4.212 4.350 -0.000 0.000 0.198 564 E C 0.635 176.721 176.600 -0.857 0.000 1.024 564 E CA 0.798 56.843 56.400 -0.592 0.000 0.861 564 E CB 0.062 29.304 29.700 -0.762 0.000 0.788 564 E HN 0.399 nan 8.360 nan 0.000 0.521 565 F N -0.220 119.489 119.950 -0.402 0.000 2.639 565 F HA 0.141 4.668 4.527 0.000 0.000 0.302 565 F C 0.324 175.942 175.800 -0.302 0.000 1.097 565 F CA -0.145 57.663 58.000 -0.319 0.000 1.294 565 F CB 0.918 39.742 39.000 -0.293 0.000 1.027 565 F HN -0.320 nan 8.300 nan 0.000 0.550 566 V N 0.012 119.761 119.914 -0.275 0.000 2.443 566 V HA 0.152 4.272 4.120 -0.000 0.000 0.293 566 V C 0.243 176.248 176.094 -0.149 0.000 1.021 566 V CA -0.326 61.845 62.300 -0.216 0.000 0.848 566 V CB 1.456 33.079 31.823 -0.334 0.000 0.998 566 V HN 0.051 nan 8.190 nan 0.000 0.424 567 Q N 2.505 122.248 119.800 -0.095 0.000 2.226 567 Q HA 0.112 4.452 4.340 -0.000 0.000 0.199 567 Q C 1.160 177.139 176.000 -0.035 0.000 0.945 567 Q CA 1.089 56.845 55.803 -0.079 0.000 0.861 567 Q CB 0.112 28.805 28.738 -0.074 0.000 0.953 567 Q HN 0.837 nan 8.270 nan 0.000 0.490 568 N N -0.451 118.242 118.700 -0.012 0.000 2.471 568 N HA 0.152 4.892 4.740 -0.000 0.000 0.270 568 N C -1.593 173.938 175.510 0.034 0.000 1.490 568 N CA 0.120 53.175 53.050 0.009 0.000 0.850 568 N CB 1.428 39.912 38.487 -0.005 0.000 1.411 568 N HN 0.136 nan 8.380 nan 0.000 0.488 569 T N -0.276 114.318 114.554 0.066 0.000 2.912 569 T HA 0.620 4.970 4.350 -0.000 0.000 0.299 569 T C -0.425 174.387 174.700 0.187 0.000 1.052 569 T CA -0.621 61.540 62.100 0.103 0.000 0.996 569 T CB 1.816 70.742 68.868 0.096 0.000 1.070 569 T HN 0.186 nan 8.240 nan 0.000 0.465 570 A N 2.480 125.428 122.820 0.213 0.000 2.545 570 A HA 0.411 4.731 4.320 -0.000 0.000 0.253 570 A C -0.673 177.133 177.584 0.369 0.000 1.074 570 A CA -0.027 52.183 52.037 0.287 0.000 0.760 570 A CB -0.423 18.793 19.000 0.360 0.000 1.005 570 A HN 0.839 nan 8.150 nan 0.000 0.506 571 W N 2.662 124.034 121.300 0.120 0.000 2.915 571 W HA 0.637 5.297 4.660 -0.000 0.000 0.337 571 W C -0.581 175.988 176.519 0.083 0.000 1.102 571 W CA -0.068 57.341 57.345 0.108 0.000 1.224 571 W CB 1.487 31.010 29.460 0.106 0.000 1.416 571 W HN 0.927 nan 8.180 nan 0.000 0.503 572 A N 3.628 126.019 122.820 -0.714 0.000 2.498 572 A HA 0.643 4.963 4.320 -0.000 0.000 0.298 572 A C -2.230 174.872 177.584 -0.803 0.000 1.075 572 A CA -0.638 50.894 52.037 -0.842 0.000 0.714 572 A CB 1.568 20.277 19.000 -0.485 0.000 1.299 572 A HN 0.913 nan 8.150 nan 0.000 0.407 573 H N 0.792 119.464 119.070 -0.664 0.000 2.689 573 H HA 0.696 5.252 4.556 -0.000 0.000 0.346 573 H C -1.700 173.637 175.328 0.014 0.000 1.037 573 H CA -0.813 55.099 56.048 -0.226 0.000 1.234 573 H CB 0.782 30.478 29.762 -0.110 0.000 1.572 573 H HN 0.479 nan 8.280 nan 0.000 0.524 574 I N 4.514 124.922 120.570 -0.268 0.000 2.355 574 I HA 0.176 4.346 4.170 -0.000 0.000 0.288 574 I C -0.440 175.527 176.117 -0.249 0.000 0.999 574 I CA -0.689 60.480 61.300 -0.219 0.000 1.163 574 I CB 1.331 39.296 38.000 -0.059 0.000 1.316 574 I HN 0.566 nan 8.210 nan 0.000 0.454 575 D N 7.593 127.868 120.400 -0.208 0.000 2.359 575 D HA 0.306 4.946 4.640 -0.000 0.000 0.230 575 D C 0.446 176.734 176.300 -0.019 0.000 1.118 575 D CA -0.327 53.640 54.000 -0.055 0.000 0.844 575 D CB 1.237 42.098 40.800 0.103 0.000 1.059 575 D HN 0.571 nan 8.370 nan 0.000 0.493 576 I N 0.893 121.442 120.570 -0.036 0.000 3.927 576 I HA 0.378 4.548 4.170 -0.000 0.000 0.332 576 I C 1.478 177.573 176.117 -0.035 0.000 1.485 576 I CA -0.577 60.653 61.300 -0.117 0.000 1.131 576 I CB 0.665 38.594 38.000 -0.118 0.000 1.092 576 I HN 0.204 nan 8.210 nan 0.000 0.410 577 A N 1.846 124.690 122.820 0.040 0.000 1.978 577 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 577 A C 2.251 179.990 177.584 0.257 0.000 1.170 577 A CA 2.029 54.155 52.037 0.149 0.000 0.636 577 A CB -1.081 18.014 19.000 0.158 0.000 0.810 577 A HN 0.582 nan 8.150 nan 0.000 0.448 578 G N -2.015 106.877 108.800 0.152 0.000 2.539 578 G HA2 0.152 4.112 3.960 -0.000 0.000 0.215 578 G HA3 0.152 4.112 3.960 -0.000 0.000 0.215 578 G C 1.272 176.276 174.900 0.173 0.000 1.141 578 G CA 1.000 46.203 45.100 0.172 0.000 0.806 578 G HN 0.411 nan 8.290 nan 0.000 0.533 579 V N -0.002 119.922 119.914 0.016 0.000 3.661 579 V HA 0.128 4.248 4.120 -0.000 0.000 0.271 579 V C 2.629 178.706 176.094 -0.028 0.000 1.315 579 V CA 1.505 63.736 62.300 -0.114 0.000 1.072 579 V CB 0.662 32.145 31.823 -0.567 0.000 0.830 579 V HN 0.379 nan 8.190 nan 0.000 0.443 580 S N -0.349 115.413 115.700 0.103 0.000 2.371 580 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 580 S C 0.636 175.396 174.600 0.266 0.000 1.029 580 S CA 0.500 58.826 58.200 0.210 0.000 0.978 580 S CB -0.155 63.195 63.200 0.250 0.000 0.833 580 S HN 0.688 nan 8.310 nan 0.000 0.466 581 W N 2.946 124.237 121.300 -0.015 0.000 2.391 581 W HA 0.433 5.093 4.660 -0.000 0.000 0.311 581 W C -0.667 175.569 176.519 -0.473 0.000 1.087 581 W CA -0.937 56.211 57.345 -0.328 0.000 1.209 581 W CB 0.826 29.816 29.460 -0.784 0.000 1.273 581 W HN 0.149 nan 8.180 nan 0.000 0.482 582 N N 5.547 123.809 118.700 -0.730 0.000 2.482 582 N HA 0.046 4.786 4.740 -0.000 0.000 0.242 582 N C 0.545 175.806 175.510 -0.415 0.000 1.100 582 N CA -0.029 52.775 53.050 -0.409 0.000 0.946 582 N CB -0.223 38.102 38.487 -0.270 0.000 1.227 582 N HN 0.295 nan 8.380 nan 0.000 0.508 583 F N 2.229 122.207 119.950 0.047 0.000 2.134 583 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 583 F C 2.318 178.170 175.800 0.086 0.000 1.097 583 F CA 1.088 59.199 58.000 0.185 0.000 1.264 583 F CB 0.030 39.126 39.000 0.161 0.000 1.001 583 F HN 0.449 nan 8.300 nan 0.000 0.479 584 K N 0.583 121.109 120.400 0.209 0.000 2.026 584 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 584 K C 2.028 178.665 176.600 0.061 0.000 1.048 584 K CA 1.378 57.738 56.287 0.120 0.000 0.929 584 K CB -0.285 32.269 32.500 0.091 0.000 0.713 584 K HN 0.207 nan 8.250 nan 0.000 0.439 585 A N 0.640 123.458 122.820 -0.003 0.000 2.218 585 A HA 0.091 4.411 4.320 -0.000 0.000 0.209 585 A C 0.199 177.734 177.584 -0.082 0.000 1.168 585 A CA 0.452 52.466 52.037 -0.038 0.000 0.804 585 A CB -0.168 18.801 19.000 -0.051 0.000 0.834 585 A HN 0.497 nan 8.150 nan 0.000 0.482 586 R N -1.288 119.151 120.500 -0.101 0.000 3.532 586 R HA -0.164 4.176 4.340 -0.000 0.000 0.284 586 R C -0.390 175.753 176.300 -0.262 0.000 1.140 586 R CA 1.369 57.477 56.100 0.012 0.000 0.768 586 R CB -2.350 28.018 30.300 0.113 0.000 1.252 586 R HN 0.844 nan 8.270 nan 0.000 0.454 587 K N -1.833 118.016 120.400 -0.919 0.000 2.548 587 K HA 0.618 4.938 4.320 -0.000 0.000 0.282 587 K C -3.281 172.477 176.600 -1.404 0.000 1.006 587 K CA -2.182 53.481 56.287 -1.041 0.000 0.892 587 K CB 2.656 34.925 32.500 -0.386 0.000 1.499 587 K HN -0.310 nan 8.250 nan 0.000 0.433 588 P HA 0.191 nan 4.420 nan 0.000 0.274 588 P C -0.476 176.767 177.300 -0.094 0.000 1.246 588 P CA -0.534 62.361 63.100 -0.342 0.000 0.795 588 P CB 0.605 32.294 31.700 -0.017 0.000 1.006 589 K N 0.431 120.824 120.400 -0.012 0.000 2.361 589 K HA 0.162 4.482 4.320 -0.000 0.000 0.194 589 K C 1.037 177.577 176.600 -0.100 0.000 1.032 589 K CA 0.541 56.825 56.287 -0.004 0.000 1.048 589 K CB -0.272 32.274 32.500 0.077 0.000 0.842 589 K HN 0.801 nan 8.250 nan 0.000 0.526 590 G N 2.582 111.386 108.800 0.007 0.000 2.273 590 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 590 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 590 G C -0.118 174.766 174.900 -0.026 0.000 1.047 590 G CA -0.059 45.019 45.100 -0.037 0.000 0.869 590 G HN 0.375 nan 8.290 nan 0.000 0.502 591 F N 0.431 120.342 119.950 -0.065 0.000 2.529 591 F HA 0.413 4.940 4.527 -0.000 0.000 0.365 591 F C 1.547 177.327 175.800 -0.034 0.000 1.102 591 F CA 1.667 59.642 58.000 -0.043 0.000 1.271 591 F CB 0.720 39.720 39.000 0.000 0.000 1.120 591 F HN 0.860 nan 8.300 nan 0.000 0.579 592 G N 3.230 111.788 108.800 -0.405 0.000 2.284 592 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.216 592 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.216 592 G C 0.804 175.610 174.900 -0.158 0.000 1.009 592 G CA 0.021 45.021 45.100 -0.167 0.000 0.625 592 G HN 0.665 nan 8.290 nan 0.000 0.501 593 V N 1.399 121.222 119.914 -0.152 0.000 2.252 593 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 593 V C 2.881 178.827 176.094 -0.247 0.000 1.056 593 V CA 3.032 65.248 62.300 -0.139 0.000 1.022 593 V CB -0.583 31.167 31.823 -0.121 0.000 0.641 593 V HN 0.518 nan 8.190 nan 0.000 0.445 594 R N -0.753 119.550 120.500 -0.329 0.000 2.090 594 R HA -0.066 4.274 4.340 -0.000 0.000 0.228 594 R C 2.220 178.357 176.300 -0.272 0.000 1.110 594 R CA 1.233 57.059 56.100 -0.457 0.000 0.973 594 R CB -0.556 29.582 30.300 -0.271 0.000 0.869 594 R HN 0.407 nan 8.270 nan 0.000 0.440 595 L N 1.294 122.378 121.223 -0.232 0.000 1.990 595 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 595 L C 1.894 178.736 176.870 -0.048 0.000 1.072 595 L CA 1.819 56.568 54.840 -0.151 0.000 0.755 595 L CB -0.430 41.498 42.059 -0.220 0.000 0.889 595 L HN 0.139 nan 8.230 nan 0.000 0.432 596 L N -1.343 119.858 121.223 -0.038 0.000 2.093 596 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 596 L C 2.337 179.279 176.870 0.120 0.000 1.085 596 L CA 1.546 56.437 54.840 0.084 0.000 0.755 596 L CB -1.046 41.066 42.059 0.088 0.000 0.904 596 L HN 0.311 nan 8.230 nan 0.000 0.435 597 T N -0.986 113.559 114.554 -0.015 0.000 2.746 597 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 597 T C 1.786 176.518 174.700 0.053 0.000 1.039 597 T CA 1.056 63.139 62.100 -0.029 0.000 1.142 597 T CB -0.119 68.609 68.868 -0.234 0.000 0.866 597 T HN 0.276 nan 8.240 nan 0.000 0.444 598 E N 0.644 120.881 120.200 0.062 0.000 2.110 598 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 598 E C 1.890 178.556 176.600 0.111 0.000 0.988 598 E CA 0.751 57.228 56.400 0.129 0.000 0.804 598 E CB -0.427 29.348 29.700 0.125 0.000 0.745 598 E HN 0.514 nan 8.360 nan 0.000 0.458 599 F N 1.653 121.589 119.950 -0.024 0.000 2.069 599 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 599 F C 2.232 178.026 175.800 -0.009 0.000 1.113 599 F CA 1.177 59.152 58.000 -0.041 0.000 1.214 599 F CB -0.508 38.451 39.000 -0.067 0.000 0.978 599 F HN -0.213 nan 8.300 nan 0.000 0.474 600 V N 0.166 119.967 119.914 -0.189 0.000 2.295 600 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 600 V C 2.435 178.438 176.094 -0.152 0.000 1.049 600 V CA 1.708 63.867 62.300 -0.235 0.000 1.024 600 V CB -0.788 31.009 31.823 -0.044 0.000 0.648 600 V HN 0.300 nan 8.190 nan 0.000 0.447 601 L N 0.454 121.647 121.223 -0.050 0.000 2.056 601 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 601 L C 1.965 178.817 176.870 -0.031 0.000 1.078 601 L CA 1.770 56.603 54.840 -0.011 0.000 0.749 601 L CB -1.121 40.972 42.059 0.056 0.000 0.901 601 L HN 0.375 nan 8.230 nan 0.000 0.433 602 N N -1.077 117.596 118.700 -0.044 0.000 2.467 602 N HA -0.022 4.718 4.740 -0.000 0.000 0.184 602 N C 0.331 175.797 175.510 -0.074 0.000 1.106 602 N CA 0.211 53.239 53.050 -0.038 0.000 0.892 602 N CB -0.073 38.409 38.487 -0.008 0.000 0.969 602 N HN 0.350 nan 8.380 nan 0.000 0.454 603 D N 0.000 120.311 120.400 -0.148 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.916 54.000 -0.140 0.000 0.868 603 D CB 0.000 40.630 40.800 -0.283 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683