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 1uvo_1_A DATA FIRST_RESID 1 DATA SEQUENCE VVGGTEAQRN SWPSQISLQY RSGSSWAHTc GGTLIRQNWV MTAAHcVDRE DATA SEQUENCE LTFRVVVGEH NLNQNDGTEQ YVGVQKIVVH PYWNTDDVAA GYDIALLRLA DATA SEQUENCE QSVTLNSYVQ LGVLPRAGTI LANNSPcYIT GWGLTRTNGQ LAQTLQQAYL DATA SEQUENCE PTVDYAIcSS SSYWGSTVKN SMVcAGGDGV RSGcQGDSGG PLHcLVNGQY DATA SEQUENCE AVHGVTSFVS RLGcNVTRKP TVFTRVSAYI SWINNVIASN 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.122 176.094 0.047 0.000 1.182 1 V CA 0.000 62.325 62.300 0.042 0.000 1.235 1 V CB 0.000 31.834 31.823 0.018 0.000 1.184 2 V N 3.206 123.152 119.914 0.053 0.000 2.509 2 V HA 0.705 5.033 4.120 0.348 0.000 0.284 2 V C 1.307 177.434 176.094 0.056 0.000 1.047 2 V CA 0.864 63.195 62.300 0.052 0.000 0.952 2 V CB 1.199 33.052 31.823 0.050 0.000 0.988 2 V HN 1.645 nan 8.190 nan 0.000 0.469 3 G N 3.483 112.315 108.800 0.054 0.000 2.221 3 G HA2 -0.137 4.031 3.960 0.348 0.000 0.265 3 G HA3 -0.137 4.031 3.960 0.348 0.000 0.265 3 G C 0.434 175.380 174.900 0.076 0.000 1.041 3 G CA 0.143 45.280 45.100 0.061 0.000 0.807 3 G HN 1.323 nan 8.290 nan 0.000 0.502 4 G N -1.222 107.619 108.800 0.069 0.000 2.557 4 G HA2 0.923 5.092 3.960 0.348 0.000 0.302 4 G HA3 0.923 5.092 3.960 0.348 0.000 0.302 4 G C 0.157 175.103 174.900 0.076 0.000 1.311 4 G CA 0.473 45.622 45.100 0.081 0.000 1.030 4 G HN 1.348 nan 8.290 nan 0.000 0.509 5 T N -2.630 111.974 114.554 0.082 0.000 2.906 5 T HA 0.544 5.103 4.350 0.348 0.000 0.295 5 T C -0.475 174.259 174.700 0.056 0.000 1.075 5 T CA -0.737 61.406 62.100 0.070 0.000 1.005 5 T CB 2.261 71.179 68.868 0.083 0.000 1.136 5 T HN 0.569 nan 8.240 nan 0.000 0.498 6 E N 0.814 121.046 120.200 0.054 0.000 2.376 6 E HA 0.438 4.997 4.350 0.348 0.000 0.266 6 E C 0.198 176.852 176.600 0.090 0.000 1.009 6 E CA -0.666 55.772 56.400 0.064 0.000 0.902 6 E CB 0.494 30.248 29.700 0.090 0.000 0.972 6 E HN 0.859 nan 8.360 nan 0.000 0.439 7 A N 4.689 127.581 122.820 0.120 0.000 2.407 7 A HA 0.099 4.628 4.320 0.348 0.000 0.248 7 A C 0.023 177.690 177.584 0.139 0.000 1.082 7 A CA -0.294 51.838 52.037 0.158 0.000 0.785 7 A CB 0.459 19.622 19.000 0.271 0.000 1.020 7 A HN 0.769 nan 8.150 nan 0.000 0.489 8 Q N 0.272 120.062 119.800 -0.017 0.000 2.421 8 Q HA 0.116 4.665 4.340 0.348 0.000 0.255 8 Q C 1.067 176.998 176.000 -0.116 0.000 1.013 8 Q CA -0.277 55.469 55.803 -0.094 0.000 0.895 8 Q CB 0.803 29.445 28.738 -0.160 0.000 1.271 8 Q HN 0.798 nan 8.270 nan 0.000 0.460 9 R N 1.517 121.881 120.500 -0.227 0.000 2.127 9 R HA -0.182 4.367 4.340 0.348 0.000 0.238 9 R C 0.708 177.027 176.300 0.033 0.000 1.134 9 R CA 1.881 57.852 56.100 -0.216 0.000 0.975 9 R CB 0.133 30.320 30.300 -0.189 0.000 0.865 9 R HN 0.671 nan 8.270 nan 0.000 0.447 10 N N -1.422 117.233 118.700 -0.075 0.000 2.234 10 N HA 0.059 5.008 4.740 0.348 0.000 0.227 10 N C 0.346 175.681 175.510 -0.291 0.000 1.151 10 N CA -0.128 52.827 53.050 -0.158 0.000 0.865 10 N CB 0.776 39.097 38.487 -0.277 0.000 1.066 10 N HN -0.115 nan 8.380 nan 0.000 0.515 11 S N -0.444 115.005 115.700 -0.418 0.000 2.395 11 S HA 0.060 4.739 4.470 0.348 0.000 0.225 11 S C -0.304 173.647 174.600 -1.081 0.000 1.027 11 S CA 0.596 58.255 58.200 -0.902 0.000 0.965 11 S CB -0.146 62.259 63.200 -1.324 0.000 0.812 11 S HN 0.615 nan 8.310 nan 0.000 0.482 12 W N 1.861 123.040 121.300 -0.201 0.000 1.950 12 W HA 0.383 5.256 4.660 0.354 0.000 0.289 12 W C -2.271 174.224 176.519 -0.040 0.000 0.883 12 W CA -1.636 55.583 57.345 -0.210 0.000 2.031 12 W CB 0.496 29.787 29.460 -0.281 0.000 2.266 12 W HN 0.077 nan 8.180 nan 0.000 0.400 13 P HA -0.146 nan 4.420 nan 0.000 0.230 13 P C 1.393 178.790 177.300 0.162 0.000 1.158 13 P CA 1.406 64.580 63.100 0.123 0.000 0.769 13 P CB 0.248 31.966 31.700 0.030 0.000 0.807 14 S N -1.985 113.836 115.700 0.202 0.000 2.558 14 S HA 0.014 4.693 4.470 0.348 0.000 0.217 14 S C 1.079 175.808 174.600 0.216 0.000 0.975 14 S CA -0.317 58.000 58.200 0.195 0.000 0.912 14 S CB -0.707 62.613 63.200 0.201 0.000 0.776 14 S HN 0.049 nan 8.310 nan 0.000 0.526 15 Q N 1.965 121.922 119.800 0.261 0.000 2.311 15 Q HA 0.467 5.016 4.340 0.348 0.000 0.272 15 Q C -0.382 175.791 176.000 0.289 0.000 1.012 15 Q CA -0.183 55.770 55.803 0.249 0.000 0.891 15 Q CB 0.261 29.121 28.738 0.204 0.000 1.201 15 Q HN 0.621 nan 8.270 nan 0.000 0.391 16 I N -0.214 120.532 120.570 0.292 0.000 3.067 16 I HA 0.688 5.066 4.170 0.348 0.000 0.312 16 I C -0.704 175.644 176.117 0.386 0.000 1.073 16 I CA -0.866 60.603 61.300 0.281 0.000 1.016 16 I CB 2.344 40.430 38.000 0.143 0.000 1.227 16 I HN 0.444 nan 8.210 nan 0.000 0.456 17 S N 3.074 118.894 115.700 0.199 0.000 2.456 17 S HA 0.676 5.355 4.470 0.348 0.000 0.316 17 S C -0.919 173.700 174.600 0.031 0.000 1.089 17 S CA -0.560 57.711 58.200 0.118 0.000 1.101 17 S CB 0.599 63.642 63.200 -0.261 0.000 0.995 17 S HN 0.729 nan 8.310 nan 0.000 0.468 18 L N 5.943 127.160 121.223 -0.010 0.000 2.264 18 L HA 0.555 5.103 4.340 0.348 0.000 0.289 18 L C -0.459 176.430 176.870 0.031 0.000 1.044 18 L CA 0.425 55.267 54.840 0.004 0.000 0.807 18 L CB 0.979 43.017 42.059 -0.034 0.000 1.192 18 L HN 0.757 nan 8.230 nan 0.000 0.425 19 Q N 4.265 124.165 119.800 0.167 0.000 2.399 19 Q HA 0.489 5.038 4.340 0.348 0.000 0.276 19 Q C -1.663 174.620 176.000 0.472 0.000 1.098 19 Q CA -0.795 55.140 55.803 0.221 0.000 0.827 19 Q CB 2.582 31.408 28.738 0.147 0.000 1.386 19 Q HN 0.667 nan 8.270 nan 0.000 0.443 20 Y N -1.892 118.595 120.300 0.311 0.000 2.524 20 Y HA 0.729 5.479 4.550 0.333 0.000 0.344 20 Y C -0.708 175.192 175.900 -0.001 0.000 1.012 20 Y CA -1.553 56.610 58.100 0.105 0.000 1.068 20 Y CB 1.101 39.444 38.460 -0.195 0.000 1.249 20 Y HN 0.493 nan 8.280 nan 0.000 0.468 21 R N 1.949 122.283 120.500 -0.277 0.000 2.389 21 R HA 0.516 5.065 4.340 0.348 0.000 0.295 21 R C -1.083 175.017 176.300 -0.333 0.000 1.075 21 R CA 0.239 55.844 56.100 -0.825 0.000 1.005 21 R CB 0.438 30.121 30.300 -1.029 0.000 0.987 21 R HN 0.881 nan 8.270 nan 0.000 0.452 22 S N 3.047 118.520 115.700 -0.378 0.000 2.775 22 S HA 0.606 5.284 4.470 0.348 0.000 0.277 22 S C 0.416 174.901 174.600 -0.191 0.000 1.156 22 S CA -0.251 57.853 58.200 -0.161 0.000 1.081 22 S CB 1.149 64.305 63.200 -0.074 0.000 1.054 22 S HN 1.112 nan 8.310 nan 0.000 0.482 23 G N 3.538 112.243 108.800 -0.157 0.000 2.561 23 G HA2 -0.337 3.831 3.960 0.348 0.000 0.289 23 G HA3 -0.337 3.831 3.960 0.348 0.000 0.289 23 G C 0.798 175.587 174.900 -0.186 0.000 1.169 23 G CA 0.691 45.709 45.100 -0.136 0.000 0.980 23 G HN 2.157 nan 8.290 nan 0.000 0.550 24 S N 0.101 115.710 115.700 -0.151 0.000 2.582 24 S HA 0.612 5.291 4.470 0.348 0.000 0.234 24 S C 0.667 175.170 174.600 -0.162 0.000 0.961 24 S CA 0.986 59.096 58.200 -0.148 0.000 0.953 24 S CB -0.104 63.045 63.200 -0.085 0.000 0.800 24 S HN 2.058 nan 8.310 nan 0.000 0.471 25 S N -0.562 115.005 115.700 -0.223 0.000 2.811 25 S HA 0.837 5.516 4.470 0.348 0.000 0.311 25 S C -1.567 172.819 174.600 -0.356 0.000 1.152 25 S CA -1.060 57.040 58.200 -0.167 0.000 0.864 25 S CB 0.311 63.471 63.200 -0.067 0.000 1.226 25 S HN 0.470 nan 8.310 nan 0.000 0.541 26 W N -0.176 121.038 121.300 -0.145 0.000 2.819 26 W HA 0.769 5.636 4.660 0.345 0.000 0.337 26 W C -0.324 176.041 176.519 -0.257 0.000 1.077 26 W CA -0.561 56.667 57.345 -0.196 0.000 1.226 26 W CB 2.176 31.558 29.460 -0.129 0.000 1.419 26 W HN 0.977 nan 8.180 nan 0.000 0.502 27 A N 1.585 124.265 122.820 -0.233 0.000 2.355 27 A HA 0.504 5.033 4.320 0.348 0.000 0.317 27 A C -1.370 176.106 177.584 -0.181 0.000 1.094 27 A CA -0.793 51.061 52.037 -0.305 0.000 0.764 27 A CB 0.546 19.167 19.000 -0.632 0.000 1.230 27 A HN 0.776 nan 8.150 nan 0.000 0.448 28 H N 1.001 120.009 119.070 -0.104 0.000 2.848 28 H HA 0.386 5.095 4.556 0.255 0.000 0.341 28 H C 0.882 176.270 175.328 0.100 0.000 1.060 28 H CA 1.540 57.573 56.048 -0.025 0.000 1.444 28 H CB 1.177 30.883 29.762 -0.093 0.000 1.446 28 H HN 0.570 nan 8.280 nan 0.000 0.583 29 T N 2.808 117.178 114.554 -0.308 0.000 2.980 29 T HA 0.249 4.807 4.350 0.348 0.000 0.252 29 T C -0.409 174.184 174.700 -0.180 0.000 0.962 29 T CA 0.454 62.555 62.100 0.001 0.000 0.932 29 T CB 0.145 69.224 68.868 0.351 0.000 1.188 29 T HN 0.615 nan 8.240 nan 0.000 0.500 30 c N -0.158 118.160 118.600 -0.470 0.000 3.321 30 c HA 0.799 5.578 4.570 0.348 0.000 0.329 30 c C 0.760 174.819 174.090 -0.053 0.000 1.394 30 c CA -0.895 55.338 56.329 -0.161 0.000 1.291 30 c CB 1.241 43.688 42.510 -0.103 0.000 1.606 30 c HN 0.556 nan 8.230 nan 0.000 0.463 31 G N -0.377 108.506 108.800 0.140 0.000 2.642 31 G HA2 0.823 4.992 3.960 0.348 0.000 0.291 31 G HA3 0.823 4.992 3.960 0.348 0.000 0.291 31 G C -0.321 174.643 174.900 0.106 0.000 1.345 31 G CA 0.150 45.399 45.100 0.247 0.000 1.043 31 G HN 1.469 nan 8.290 nan 0.000 0.528 32 G N -2.449 106.424 108.800 0.123 0.000 2.506 32 G HA2 0.518 4.687 3.960 0.348 0.000 0.292 32 G HA3 0.518 4.687 3.960 0.348 0.000 0.292 32 G C -1.430 173.525 174.900 0.091 0.000 1.425 32 G CA -0.377 44.763 45.100 0.066 0.000 0.788 32 G HN 0.684 nan 8.290 nan 0.000 0.490 33 T N 0.756 115.355 114.554 0.075 0.000 2.812 33 T HA 0.455 5.014 4.350 0.348 0.000 0.282 33 T C -0.473 174.289 174.700 0.102 0.000 0.990 33 T CA -0.352 61.803 62.100 0.092 0.000 0.960 33 T CB 1.593 70.499 68.868 0.064 0.000 0.948 33 T HN 0.572 nan 8.240 nan 0.000 0.438 34 L N 5.722 127.015 121.223 0.116 0.000 2.433 34 L HA 0.371 4.920 4.340 0.348 0.000 0.275 34 L C 0.901 177.838 176.870 0.112 0.000 1.128 34 L CA 0.345 55.252 54.840 0.112 0.000 0.875 34 L CB -0.144 41.977 42.059 0.104 0.000 1.171 34 L HN 0.780 nan 8.230 nan 0.000 0.463 35 I N 0.779 121.423 120.570 0.124 0.000 4.139 35 I HA 0.397 4.776 4.170 0.348 0.000 0.320 35 I C 0.466 176.649 176.117 0.109 0.000 1.290 35 I CA -0.195 61.166 61.300 0.102 0.000 1.253 35 I CB 0.046 38.090 38.000 0.073 0.000 1.122 35 I HN 0.392 nan 8.210 nan 0.000 0.421 36 R N 1.172 121.773 120.500 0.168 0.000 2.836 36 R HA 0.399 4.947 4.340 0.348 0.000 0.269 36 R C 0.203 176.591 176.300 0.145 0.000 1.010 36 R CA -0.606 55.601 56.100 0.178 0.000 0.930 36 R CB 1.114 31.599 30.300 0.309 0.000 1.218 36 R HN 0.087 nan 8.270 nan 0.000 0.473 37 Q N 0.805 120.667 119.800 0.104 0.000 2.291 37 Q HA -0.140 4.409 4.340 0.348 0.000 0.206 37 Q C 0.635 176.653 176.000 0.029 0.000 0.976 37 Q CA 1.580 57.419 55.803 0.059 0.000 0.875 37 Q CB 0.132 28.894 28.738 0.040 0.000 0.927 37 Q HN 0.428 nan 8.270 nan 0.000 0.450 38 N N -1.738 116.976 118.700 0.024 0.000 2.291 38 N HA 0.030 4.979 4.740 0.348 0.000 0.244 38 N C -1.345 173.999 175.510 -0.277 0.000 1.216 38 N CA -0.138 52.831 53.050 -0.135 0.000 0.879 38 N CB 0.056 38.423 38.487 -0.199 0.000 1.167 38 N HN 0.056 nan 8.380 nan 0.000 0.515 39 W N 0.133 121.428 121.300 -0.009 0.000 2.998 39 W HA 0.607 5.470 4.660 0.338 0.000 0.335 39 W C -0.950 175.565 176.519 -0.007 0.000 1.110 39 W CA -0.738 56.597 57.345 -0.016 0.000 1.230 39 W CB 2.009 31.452 29.460 -0.029 0.000 1.405 39 W HN -0.320 nan 8.180 nan 0.000 0.493 40 V N 4.586 124.657 119.914 0.262 0.000 2.604 40 V HA 0.454 4.783 4.120 0.348 0.000 0.305 40 V C -0.237 175.951 176.094 0.156 0.000 1.043 40 V CA -1.139 61.255 62.300 0.157 0.000 0.888 40 V CB 1.848 33.718 31.823 0.077 0.000 0.995 40 V HN 0.598 nan 8.190 nan 0.000 0.429 41 M N 4.327 123.992 119.600 0.109 0.000 2.180 41 M HA 0.617 5.305 4.480 0.348 0.000 0.350 41 M C -0.376 175.940 176.300 0.027 0.000 1.125 41 M CA 0.412 55.760 55.300 0.080 0.000 1.031 41 M CB 1.413 34.056 32.600 0.072 0.000 1.623 41 M HN 0.832 nan 8.290 nan 0.000 0.451 42 T N 2.729 117.274 114.554 -0.016 0.000 2.654 42 T HA 0.812 5.371 4.350 0.348 0.000 0.289 42 T C -1.491 173.109 174.700 -0.168 0.000 1.062 42 T CA -0.441 61.606 62.100 -0.088 0.000 1.041 42 T CB 1.427 70.225 68.868 -0.117 0.000 1.417 42 T HN 0.813 nan 8.240 nan 0.000 0.510 43 A N 0.471 123.129 122.820 -0.269 0.000 2.310 43 A HA 0.727 5.256 4.320 0.348 0.000 0.299 43 A C 1.479 178.751 177.584 -0.520 0.000 1.147 43 A CA 0.229 52.026 52.037 -0.399 0.000 0.818 43 A CB 0.315 19.005 19.000 -0.517 0.000 1.096 43 A HN 1.179 nan 8.150 nan 0.000 0.495 44 A N 1.136 123.550 122.820 -0.675 0.000 1.933 44 A HA -0.174 4.354 4.320 0.348 0.000 0.218 44 A C 1.804 178.945 177.584 -0.737 0.000 1.175 44 A CA 1.855 53.393 52.037 -0.832 0.000 0.628 44 A CB -1.038 17.068 19.000 -1.489 0.000 0.814 44 A HN 1.098 nan 8.150 nan 0.000 0.444 45 H N -1.789 116.856 119.070 -0.709 0.000 2.521 45 H HA -0.072 4.702 4.556 0.364 0.000 0.286 45 H C 1.797 177.092 175.328 -0.054 0.000 1.034 45 H CA 1.372 57.326 56.048 -0.158 0.000 1.278 45 H CB -0.756 29.041 29.762 0.058 0.000 1.386 45 H HN 0.423 nan 8.280 nan 0.000 0.567 46 c N 1.491 119.782 118.600 -0.515 0.000 2.448 46 c HA -0.002 4.777 4.570 0.348 0.000 0.280 46 c C 2.304 176.296 174.090 -0.163 0.000 1.398 46 c CA 0.780 56.926 56.329 -0.304 0.000 1.774 46 c CB -0.584 41.700 42.510 -0.376 0.000 1.888 46 c HN 0.661 nan 8.230 nan 0.000 0.519 47 V N -2.997 116.795 119.914 -0.204 0.000 3.043 47 V HA 0.287 4.616 4.120 0.348 0.000 0.357 47 V C 0.774 176.924 176.094 0.095 0.000 1.372 47 V CA 0.343 62.549 62.300 -0.156 0.000 1.214 47 V CB -0.555 31.045 31.823 -0.372 0.000 1.224 47 V HN 0.174 nan 8.190 nan 0.000 0.507 48 D N 1.747 122.238 120.400 0.151 0.000 2.117 48 D HA -0.016 4.833 4.640 0.348 0.000 0.198 48 D C 1.271 177.685 176.300 0.190 0.000 0.982 48 D CA 0.982 55.112 54.000 0.216 0.000 0.828 48 D CB 0.110 41.074 40.800 0.273 0.000 0.967 48 D HN 0.522 nan 8.370 nan 0.000 0.464 49 R N 1.367 121.981 120.500 0.190 0.000 2.594 49 R HA 0.091 4.640 4.340 0.348 0.000 0.272 49 R C 0.421 176.803 176.300 0.137 0.000 1.074 49 R CA -0.067 56.102 56.100 0.115 0.000 1.105 49 R CB 0.565 30.875 30.300 0.017 0.000 1.008 49 R HN -0.014 nan 8.270 nan 0.000 0.472 50 E N 3.331 123.561 120.200 0.049 0.000 2.515 50 E HA 0.047 4.606 4.350 0.348 0.000 0.315 50 E C -0.068 176.491 176.600 -0.069 0.000 1.523 50 E CA 0.182 56.603 56.400 0.036 0.000 1.704 50 E CB -0.282 29.430 29.700 0.020 0.000 1.395 50 E HN 0.343 nan 8.360 nan 0.000 0.490 51 L N -0.195 120.899 121.223 -0.215 0.000 2.365 51 L HA 0.351 4.899 4.340 0.348 0.000 0.267 51 L C 0.765 177.334 176.870 -0.501 0.000 1.033 51 L CA -0.785 53.773 54.840 -0.470 0.000 0.802 51 L CB 0.971 42.527 42.059 -0.838 0.000 1.267 51 L HN -0.130 nan 8.230 nan 0.000 0.457 52 T N 1.196 115.530 114.554 -0.367 0.000 2.729 52 T HA 0.450 5.009 4.350 0.348 0.000 0.296 52 T C -0.595 174.049 174.700 -0.094 0.000 0.928 52 T CA -0.015 61.994 62.100 -0.151 0.000 1.045 52 T CB -0.151 68.674 68.868 -0.071 0.000 0.902 52 T HN 0.087 nan 8.240 nan 0.000 0.500 53 F N 2.957 123.066 119.950 0.264 0.000 2.507 53 F HA 0.668 5.401 4.527 0.343 0.000 0.327 53 F C 0.803 176.756 175.800 0.255 0.000 1.068 53 F CA -1.198 56.980 58.000 0.296 0.000 0.965 53 F CB 1.538 40.632 39.000 0.157 0.000 1.192 53 F HN 0.435 nan 8.300 nan 0.000 0.476 54 R N 0.236 120.945 120.500 0.349 0.000 2.808 54 R HA 0.906 5.455 4.340 0.348 0.000 0.272 54 R C -2.312 173.985 176.300 -0.004 0.000 0.995 54 R CA -0.960 55.133 56.100 -0.011 0.000 0.917 54 R CB 1.712 31.685 30.300 -0.545 0.000 1.217 54 R HN 0.425 nan 8.270 nan 0.000 0.471 55 V N 1.745 121.627 119.914 -0.053 0.000 2.581 55 V HA 0.464 4.793 4.120 0.348 0.000 0.303 55 V C -0.672 175.362 176.094 -0.100 0.000 1.041 55 V CA -0.739 61.534 62.300 -0.044 0.000 0.907 55 V CB 2.066 33.873 31.823 -0.025 0.000 0.994 55 V HN 0.577 nan 8.190 nan 0.000 0.442 56 V N 5.332 125.180 119.914 -0.109 0.000 2.409 56 V HA 0.559 4.887 4.120 0.348 0.000 0.291 56 V C -0.142 175.874 176.094 -0.130 0.000 1.020 56 V CA -0.624 61.543 62.300 -0.222 0.000 0.848 56 V CB 1.684 33.338 31.823 -0.282 0.000 0.990 56 V HN 0.730 nan 8.190 nan 0.000 0.430 57 V N 1.491 121.314 119.914 -0.151 0.000 2.850 57 V HA 0.996 5.325 4.120 0.348 0.000 0.315 57 V C 0.979 177.044 176.094 -0.048 0.000 1.064 57 V CA 0.047 62.327 62.300 -0.032 0.000 0.979 57 V CB 1.182 33.001 31.823 -0.005 0.000 1.039 57 V HN 1.602 nan 8.190 nan 0.000 0.452 58 G N 1.101 109.940 108.800 0.065 0.000 2.225 58 G HA2 -0.247 3.922 3.960 0.348 0.000 0.267 58 G HA3 -0.247 3.922 3.960 0.348 0.000 0.267 58 G C -0.069 174.852 174.900 0.035 0.000 1.024 58 G CA 0.721 45.865 45.100 0.072 0.000 0.784 58 G HN 1.431 nan 8.290 nan 0.000 0.507 59 E N -1.057 119.215 120.200 0.120 0.000 2.231 59 E HA 0.670 5.229 4.350 0.348 0.000 0.277 59 E C 0.725 177.588 176.600 0.438 0.000 0.999 59 E CA -0.735 55.750 56.400 0.142 0.000 0.827 59 E CB 0.934 30.614 29.700 -0.034 0.000 1.101 59 E HN 0.406 nan 8.360 nan 0.000 0.393 60 H N 2.710 121.940 119.070 0.266 0.000 2.176 60 H HA 0.346 5.113 4.556 0.352 0.000 0.228 60 H C -0.525 175.054 175.328 0.418 0.000 0.879 60 H CA 0.036 56.289 56.048 0.341 0.000 1.027 60 H CB 0.500 30.352 29.762 0.150 0.000 1.356 60 H HN 0.391 nan 8.280 nan 0.000 0.425 61 N N 1.256 120.051 118.700 0.159 0.000 2.446 61 N HA 0.112 5.060 4.740 0.348 0.000 0.265 61 N C 0.527 176.034 175.510 -0.006 0.000 0.975 61 N CA -0.100 52.993 53.050 0.072 0.000 0.928 61 N CB 1.229 39.770 38.487 0.091 0.000 1.160 61 N HN 0.400 nan 8.380 nan 0.000 0.495 62 L N 2.964 124.116 121.223 -0.118 0.000 2.201 62 L HA -0.075 4.474 4.340 0.348 0.000 0.212 62 L C 0.693 177.511 176.870 -0.088 0.000 1.105 62 L CA 1.054 55.758 54.840 -0.228 0.000 0.775 62 L CB -0.085 41.758 42.059 -0.360 0.000 0.913 62 L HN 0.497 nan 8.230 nan 0.000 0.440 63 N N -1.228 117.450 118.700 -0.037 0.000 2.230 63 N HA 0.094 5.043 4.740 0.348 0.000 0.202 63 N C -0.379 175.137 175.510 0.009 0.000 1.119 63 N CA 0.074 53.118 53.050 -0.009 0.000 0.851 63 N CB 0.555 39.042 38.487 0.000 0.000 0.990 63 N HN 0.305 nan 8.380 nan 0.000 0.497 64 Q N -0.173 119.638 119.800 0.018 0.000 2.379 64 Q HA 0.273 4.821 4.340 0.348 0.000 0.278 64 Q C -1.379 174.642 176.000 0.034 0.000 1.068 64 Q CA -0.967 54.853 55.803 0.029 0.000 0.816 64 Q CB 1.728 30.491 28.738 0.041 0.000 1.387 64 Q HN 0.026 nan 8.270 nan 0.000 0.413 65 N N 1.354 120.072 118.700 0.030 0.000 2.438 65 N HA -0.028 4.920 4.740 0.348 0.000 0.267 65 N C -0.343 175.178 175.510 0.019 0.000 1.222 65 N CA 0.717 53.786 53.050 0.031 0.000 0.930 65 N CB 0.618 39.119 38.487 0.023 0.000 1.083 65 N HN 0.520 nan 8.380 nan 0.000 0.476 66 D N 2.698 123.102 120.400 0.007 0.000 2.346 66 D HA 0.111 4.960 4.640 0.348 0.000 0.206 66 D C 0.947 177.196 176.300 -0.086 0.000 1.001 66 D CA 0.780 54.764 54.000 -0.027 0.000 0.871 66 D CB 0.084 40.870 40.800 -0.023 0.000 0.943 66 D HN 0.806 nan 8.370 nan 0.000 0.518 67 G N 1.324 110.086 108.800 -0.063 0.000 2.148 67 G HA2 -0.303 3.866 3.960 0.348 0.000 0.254 67 G HA3 -0.303 3.866 3.960 0.348 0.000 0.254 67 G C 1.015 175.839 174.900 -0.127 0.000 0.981 67 G CA 1.231 46.287 45.100 -0.073 0.000 0.670 67 G HN 0.425 nan 8.290 nan 0.000 0.528 68 T N -2.899 111.547 114.554 -0.180 0.000 3.041 68 T HA 0.436 4.995 4.350 0.348 0.000 0.276 68 T C 0.400 175.005 174.700 -0.159 0.000 0.948 68 T CA 0.536 62.497 62.100 -0.232 0.000 0.885 68 T CB 0.827 69.360 68.868 -0.558 0.000 1.175 68 T HN 0.318 nan 8.240 nan 0.000 0.529 69 E N 2.129 122.227 120.200 -0.170 0.000 2.392 69 E HA 0.436 4.994 4.350 0.348 0.000 0.264 69 E C -0.331 176.051 176.600 -0.363 0.000 1.024 69 E CA 0.183 56.393 56.400 -0.317 0.000 0.903 69 E CB 0.474 29.893 29.700 -0.469 0.000 0.963 69 E HN 0.478 nan 8.360 nan 0.000 0.432 70 Q N 1.688 121.222 119.800 -0.443 0.000 2.337 70 Q HA 0.392 4.941 4.340 0.348 0.000 0.270 70 Q C -1.326 174.389 176.000 -0.475 0.000 1.043 70 Q CA -0.659 54.959 55.803 -0.308 0.000 0.794 70 Q CB 1.535 30.197 28.738 -0.127 0.000 1.281 70 Q HN 0.501 nan 8.270 nan 0.000 0.446 71 Y N 0.734 120.970 120.300 -0.106 0.000 2.335 71 Y HA 0.604 5.362 4.550 0.347 0.000 0.338 71 Y C -0.306 175.504 175.900 -0.150 0.000 0.977 71 Y CA -0.922 57.075 58.100 -0.170 0.000 1.114 71 Y CB 1.725 40.045 38.460 -0.233 0.000 1.182 71 Y HN 0.353 nan 8.280 nan 0.000 0.463 72 V N 2.858 122.750 119.914 -0.036 0.000 2.841 72 V HA 0.830 5.159 4.120 0.348 0.000 0.310 72 V C -0.013 176.048 176.094 -0.054 0.000 1.090 72 V CA -0.580 61.695 62.300 -0.042 0.000 0.930 72 V CB 1.865 33.660 31.823 -0.046 0.000 1.014 72 V HN 0.892 nan 8.190 nan 0.000 0.425 73 G N 3.888 112.672 108.800 -0.028 0.000 2.569 73 G HA2 0.473 4.642 3.960 0.348 0.000 0.249 73 G HA3 0.473 4.642 3.960 0.348 0.000 0.249 73 G C -0.573 174.331 174.900 0.008 0.000 1.216 73 G CA -0.333 44.774 45.100 0.011 0.000 0.845 73 G HN 0.899 nan 8.290 nan 0.000 0.568 74 V N 1.273 121.221 119.914 0.057 0.000 2.364 74 V HA 0.161 4.489 4.120 0.348 0.000 0.272 74 V C 1.124 177.233 176.094 0.025 0.000 1.036 74 V CA -0.129 62.191 62.300 0.032 0.000 0.880 74 V CB 1.122 33.003 31.823 0.096 0.000 0.991 74 V HN 1.006 nan 8.190 nan 0.000 0.460 75 Q N 4.505 124.278 119.800 -0.045 0.000 2.259 75 Q HA 0.153 4.701 4.340 0.348 0.000 0.201 75 Q C 0.795 176.771 176.000 -0.040 0.000 0.938 75 Q CA 0.852 56.628 55.803 -0.046 0.000 0.872 75 Q CB 0.516 29.196 28.738 -0.098 0.000 0.971 75 Q HN 0.675 nan 8.270 nan 0.000 0.494 76 K N 0.194 120.548 120.400 -0.077 0.000 2.502 76 K HA 0.463 4.992 4.320 0.348 0.000 0.257 76 K C -1.724 174.881 176.600 0.009 0.000 0.938 76 K CA -0.574 55.698 56.287 -0.024 0.000 0.819 76 K CB 1.668 34.147 32.500 -0.034 0.000 1.333 76 K HN 0.082 nan 8.250 nan 0.000 0.434 77 I N 3.677 124.286 120.570 0.064 0.000 2.418 77 I HA 0.287 4.665 4.170 0.348 0.000 0.287 77 I C -0.935 175.260 176.117 0.129 0.000 1.008 77 I CA -1.127 60.222 61.300 0.082 0.000 1.104 77 I CB 2.023 40.057 38.000 0.057 0.000 1.264 77 I HN 0.215 nan 8.210 nan 0.000 0.438 78 V N 7.346 127.369 119.914 0.183 0.000 2.326 78 V HA 0.321 4.650 4.120 0.348 0.000 0.281 78 V C 0.160 176.425 176.094 0.286 0.000 1.015 78 V CA -0.654 61.773 62.300 0.211 0.000 0.823 78 V CB 1.560 33.492 31.823 0.181 0.000 1.009 78 V HN 0.391 nan 8.190 nan 0.000 0.436 79 V N 3.797 123.855 119.914 0.240 0.000 2.686 79 V HA 0.278 4.606 4.120 0.348 0.000 0.295 79 V C 0.613 176.881 176.094 0.291 0.000 1.057 79 V CA -0.691 61.736 62.300 0.211 0.000 1.012 79 V CB 1.342 33.257 31.823 0.153 0.000 1.006 79 V HN 0.822 nan 8.190 nan 0.000 0.477 80 H N 6.901 125.978 119.070 0.010 0.000 3.034 80 H HA 0.043 4.807 4.556 0.346 0.000 0.324 80 H C -1.598 173.762 175.328 0.053 0.000 1.015 80 H CA -1.119 54.801 56.048 -0.213 0.000 1.429 80 H CB 1.686 31.099 29.762 -0.583 0.000 1.429 80 H HN 0.377 nan 8.280 nan 0.000 0.585 81 P HA -0.145 nan 4.420 nan 0.000 0.225 81 P C 0.665 178.108 177.300 0.238 0.000 1.148 81 P CA 1.059 64.192 63.100 0.055 0.000 0.779 81 P CB 0.112 31.758 31.700 -0.089 0.000 0.780 82 Y N -2.065 118.338 120.300 0.172 0.000 2.466 82 Y HA 0.121 4.879 4.550 0.346 0.000 0.272 82 Y C 1.156 177.000 175.900 -0.094 0.000 1.169 82 Y CA -1.700 56.265 58.100 -0.226 0.000 1.285 82 Y CB -0.796 37.063 38.460 -1.002 0.000 1.078 82 Y HN 0.064 nan 8.280 nan 0.000 0.523 83 W N 2.803 124.179 121.300 0.127 0.000 2.223 83 W HA 0.086 4.967 4.660 0.367 0.000 0.334 83 W C -0.531 176.033 176.519 0.076 0.000 1.334 83 W CA 0.320 57.739 57.345 0.123 0.000 1.246 83 W CB 0.610 30.134 29.460 0.107 0.000 1.184 83 W HN 0.058 nan 8.180 nan 0.000 0.563 84 N N 3.874 121.986 118.700 -0.981 0.000 2.504 84 N HA 0.045 4.994 4.740 0.348 0.000 0.280 84 N C 0.477 175.146 175.510 -1.402 0.000 1.052 84 N CA -0.195 52.315 53.050 -0.901 0.000 0.887 84 N CB 1.639 39.850 38.487 -0.460 0.000 1.323 84 N HN 0.463 nan 8.380 nan 0.000 0.509 85 T N 1.275 115.203 114.554 -1.044 0.000 2.897 85 T HA -0.089 4.470 4.350 0.348 0.000 0.271 85 T C 0.429 174.924 174.700 -0.341 0.000 1.084 85 T CA 1.449 63.222 62.100 -0.545 0.000 1.123 85 T CB -0.024 68.817 68.868 -0.044 0.000 0.865 85 T HN 0.463 nan 8.240 nan 0.000 0.496 86 D N 0.738 120.945 120.400 -0.321 0.000 2.363 86 D HA 0.070 4.919 4.640 0.348 0.000 0.220 86 D C 0.377 176.537 176.300 -0.234 0.000 0.994 86 D CA 0.564 54.436 54.000 -0.213 0.000 0.890 86 D CB 0.085 40.783 40.800 -0.169 0.000 0.906 86 D HN 0.370 nan 8.370 nan 0.000 0.530 87 D N 0.272 120.466 120.400 -0.343 0.000 2.517 87 D HA 0.016 4.865 4.640 0.348 0.000 0.263 87 D C 0.889 177.012 176.300 -0.296 0.000 1.233 87 D CA -0.346 53.488 54.000 -0.277 0.000 0.849 87 D CB 0.707 41.368 40.800 -0.232 0.000 1.261 87 D HN -0.246 nan 8.370 nan 0.000 0.516 88 V N 2.506 122.276 119.914 -0.240 0.000 2.594 88 V HA -0.131 4.198 4.120 0.348 0.000 0.253 88 V C 2.076 178.086 176.094 -0.141 0.000 1.069 88 V CA 2.429 64.686 62.300 -0.071 0.000 1.082 88 V CB -0.186 31.583 31.823 -0.090 0.000 0.680 88 V HN 0.523 nan 8.190 nan 0.000 0.469 89 A N -0.416 122.229 122.820 -0.291 0.000 2.121 89 A HA 0.072 4.601 4.320 0.348 0.000 0.218 89 A C 2.313 179.860 177.584 -0.061 0.000 1.154 89 A CA 1.594 53.496 52.037 -0.224 0.000 0.679 89 A CB -0.631 18.238 19.000 -0.218 0.000 0.795 89 A HN 0.792 nan 8.150 nan 0.000 0.458 90 A N -1.378 121.416 122.820 -0.044 0.000 2.066 90 A HA 0.421 4.950 4.320 0.348 0.000 0.218 90 A C 1.691 179.264 177.584 -0.019 0.000 1.157 90 A CA 1.629 53.668 52.037 0.005 0.000 0.670 90 A CB -0.844 18.177 19.000 0.035 0.000 0.804 90 A HN 2.045 nan 8.150 nan 0.000 0.453 91 G N -2.483 106.343 108.800 0.043 0.000 2.482 91 G HA2 -0.047 4.122 3.960 0.348 0.000 0.214 91 G HA3 -0.047 4.122 3.960 0.348 0.000 0.214 91 G C 0.179 175.145 174.900 0.111 0.000 1.271 91 G CA 0.016 45.092 45.100 -0.041 0.000 0.944 91 G HN 1.100 nan 8.290 nan 0.000 0.568 92 Y N -1.202 119.156 120.300 0.097 0.000 4.409 92 Y HA -0.158 4.599 4.550 0.346 0.000 0.228 92 Y C 0.862 176.698 175.900 -0.107 0.000 1.108 92 Y CA 1.058 59.089 58.100 -0.114 0.000 1.955 92 Y CB -1.803 36.637 38.460 -0.034 0.000 1.615 92 Y HN 0.747 nan 8.280 nan 0.000 0.665 93 D N 1.616 121.980 120.400 -0.061 0.000 2.551 93 D HA 0.480 5.329 4.640 0.348 0.000 0.223 93 D C -0.080 175.944 176.300 -0.460 0.000 1.144 93 D CA 0.362 54.129 54.000 -0.387 0.000 1.025 93 D CB -0.328 40.380 40.800 -0.154 0.000 1.085 93 D HN 0.461 nan 8.370 nan 0.000 0.506 94 I N 0.879 121.136 120.570 -0.521 0.000 2.841 94 I HA 0.649 5.028 4.170 0.348 0.000 0.298 94 I C -1.907 174.051 176.117 -0.264 0.000 1.304 94 I CA -0.582 60.465 61.300 -0.422 0.000 1.019 94 I CB 1.751 39.384 38.000 -0.612 0.000 1.282 94 I HN 0.249 nan 8.210 nan 0.000 0.432 95 A N 7.084 129.866 122.820 -0.063 0.000 2.594 95 A HA 0.800 5.329 4.320 0.348 0.000 0.295 95 A C -2.126 175.577 177.584 0.198 0.000 1.071 95 A CA -0.545 51.561 52.037 0.114 0.000 0.685 95 A CB 1.781 20.754 19.000 -0.044 0.000 1.285 95 A HN 0.604 nan 8.150 nan 0.000 0.405 96 L N 1.606 122.993 121.223 0.273 0.000 2.346 96 L HA 0.569 5.118 4.340 0.348 0.000 0.276 96 L C -1.032 176.028 176.870 0.317 0.000 1.006 96 L CA -0.562 54.434 54.840 0.261 0.000 0.817 96 L CB 1.672 43.801 42.059 0.116 0.000 1.272 96 L HN 0.608 nan 8.230 nan 0.000 0.421 97 L N 3.608 124.997 121.223 0.277 0.000 2.305 97 L HA 0.533 5.082 4.340 0.348 0.000 0.284 97 L C -0.023 176.789 176.870 -0.097 0.000 1.013 97 L CA -0.505 54.391 54.840 0.093 0.000 0.819 97 L CB 1.641 43.697 42.059 -0.005 0.000 1.227 97 L HN 0.562 nan 8.230 nan 0.000 0.417 98 R N 3.544 123.753 120.500 -0.485 0.000 2.265 98 R HA 0.496 5.044 4.340 0.348 0.000 0.314 98 R C -0.684 175.318 176.300 -0.497 0.000 1.053 98 R CA -0.483 54.979 56.100 -1.064 0.000 0.931 98 R CB 0.655 30.182 30.300 -1.289 0.000 1.024 98 R HN 0.585 nan 8.270 nan 0.000 0.457 99 L N 3.667 124.635 121.223 -0.424 0.000 2.395 99 L HA 0.236 4.785 4.340 0.348 0.000 0.269 99 L C 1.493 178.247 176.870 -0.195 0.000 1.133 99 L CA -0.299 54.408 54.840 -0.222 0.000 0.812 99 L CB 1.247 43.214 42.059 -0.155 0.000 1.125 99 L HN 0.817 nan 8.230 nan 0.000 0.452 100 A N 1.933 124.684 122.820 -0.115 0.000 1.969 100 A HA -0.059 4.470 4.320 0.348 0.000 0.218 100 A C 0.749 178.287 177.584 -0.076 0.000 1.169 100 A CA 1.213 53.199 52.037 -0.084 0.000 0.635 100 A CB -0.107 18.868 19.000 -0.041 0.000 0.810 100 A HN 0.782 nan 8.150 nan 0.000 0.445 101 Q N -1.424 118.333 119.800 -0.072 0.000 2.451 101 Q HA 0.569 5.118 4.340 0.348 0.000 0.281 101 Q C -0.870 175.093 176.000 -0.061 0.000 1.099 101 Q CA -0.346 55.424 55.803 -0.055 0.000 0.806 101 Q CB 2.027 30.746 28.738 -0.032 0.000 1.419 101 Q HN 0.156 nan 8.270 nan 0.000 0.427 102 S N 0.599 116.273 115.700 -0.044 0.000 2.523 102 S HA 0.422 5.101 4.470 0.348 0.000 0.275 102 S C -0.031 174.559 174.600 -0.018 0.000 1.281 102 S CA -0.754 57.427 58.200 -0.031 0.000 1.050 102 S CB 0.391 63.583 63.200 -0.015 0.000 0.937 102 S HN 0.450 nan 8.310 nan 0.000 0.492 103 V N 2.146 122.052 119.914 -0.012 0.000 3.083 103 V HA 0.542 4.871 4.120 0.348 0.000 0.306 103 V C 0.328 176.426 176.094 0.006 0.000 1.077 103 V CA -0.564 61.732 62.300 -0.006 0.000 1.073 103 V CB 0.675 32.494 31.823 -0.006 0.000 1.081 103 V HN 0.687 nan 8.190 nan 0.000 0.474 104 T N 4.503 119.062 114.554 0.009 0.000 2.767 104 T HA 0.563 5.122 4.350 0.348 0.000 0.288 104 T C -0.077 174.638 174.700 0.025 0.000 0.963 104 T CA -0.223 61.886 62.100 0.016 0.000 1.019 104 T CB 0.601 69.478 68.868 0.015 0.000 0.923 104 T HN 0.585 nan 8.240 nan 0.000 0.468 105 L N 4.548 125.785 121.223 0.024 0.000 2.375 105 L HA 0.547 5.096 4.340 0.348 0.000 0.271 105 L C 0.511 177.394 176.870 0.022 0.000 1.107 105 L CA -0.583 54.273 54.840 0.026 0.000 0.806 105 L CB 0.523 42.594 42.059 0.021 0.000 1.146 105 L HN 0.808 nan 8.230 nan 0.000 0.447 106 N N -1.472 117.239 118.700 0.018 0.000 3.449 106 N HA 0.072 5.021 4.740 0.348 0.000 0.312 106 N C 0.152 175.612 175.510 -0.084 0.000 1.557 106 N CA -0.201 52.845 53.050 -0.007 0.000 0.864 106 N CB 0.363 38.881 38.487 0.051 0.000 1.799 106 N HN 0.322 nan 8.380 nan 0.000 0.554 107 S N -1.965 113.596 115.700 -0.232 0.000 2.474 107 S HA -0.074 4.604 4.470 0.348 0.000 0.235 107 S C 0.503 174.795 174.600 -0.512 0.000 0.997 107 S CA 0.708 58.655 58.200 -0.421 0.000 0.949 107 S CB -0.773 62.081 63.200 -0.575 0.000 0.766 107 S HN 0.541 nan 8.310 nan 0.000 0.517 108 Y N 0.769 121.059 120.300 -0.016 0.000 2.478 108 Y HA 0.494 5.250 4.550 0.343 0.000 0.261 108 Y C 0.337 176.251 175.900 0.023 0.000 1.127 108 Y CA -0.520 57.580 58.100 -0.000 0.000 1.288 108 Y CB 0.563 39.024 38.460 0.002 0.000 1.084 108 Y HN 0.116 nan 8.280 nan 0.000 0.530 109 V N 1.947 121.933 119.914 0.119 0.000 2.398 109 V HA 0.405 4.734 4.120 0.348 0.000 0.282 109 V C -0.666 175.463 176.094 0.059 0.000 1.014 109 V CA -0.747 61.611 62.300 0.097 0.000 0.838 109 V CB 1.236 33.109 31.823 0.084 0.000 1.018 109 V HN -0.009 nan 8.190 nan 0.000 0.432 110 Q N 2.986 122.825 119.800 0.066 0.000 2.495 110 Q HA 0.632 5.181 4.340 0.348 0.000 0.287 110 Q C -0.927 175.118 176.000 0.076 0.000 1.078 110 Q CA -0.804 55.031 55.803 0.053 0.000 0.793 110 Q CB 3.291 32.049 28.738 0.034 0.000 1.459 110 Q HN 0.594 nan 8.270 nan 0.000 0.422 111 L N 0.697 121.961 121.223 0.069 0.000 2.397 111 L HA 0.420 4.969 4.340 0.348 0.000 0.271 111 L C 1.006 177.934 176.870 0.097 0.000 1.148 111 L CA -0.478 54.411 54.840 0.081 0.000 0.825 111 L CB 0.370 42.470 42.059 0.068 0.000 1.117 111 L HN 0.631 nan 8.230 nan 0.000 0.456 112 G N 2.217 111.085 108.800 0.113 0.000 2.403 112 G HA2 0.395 4.564 3.960 0.348 0.000 0.259 112 G HA3 0.395 4.564 3.960 0.348 0.000 0.259 112 G C -0.279 174.685 174.900 0.108 0.000 1.244 112 G CA -0.422 44.761 45.100 0.138 0.000 0.849 112 G HN 0.338 nan 8.290 nan 0.000 0.532 113 V N 3.445 123.434 119.914 0.125 0.000 2.461 113 V HA 0.255 4.584 4.120 0.348 0.000 0.275 113 V C 0.572 176.705 176.094 0.065 0.000 1.047 113 V CA -0.249 62.105 62.300 0.091 0.000 0.955 113 V CB 0.826 32.715 31.823 0.109 0.000 0.988 113 V HN 0.472 nan 8.190 nan 0.000 0.471 114 L N 6.879 128.115 121.223 0.022 0.000 2.344 114 L HA 0.551 5.100 4.340 0.348 0.000 0.272 114 L C -2.115 174.709 176.870 -0.077 0.000 1.035 114 L CA -1.910 52.912 54.840 -0.030 0.000 0.807 114 L CB 1.649 43.696 42.059 -0.020 0.000 1.237 114 L HN 0.426 nan 8.230 nan 0.000 0.442 115 P HA 0.214 nan 4.420 nan 0.000 0.274 115 P C -0.888 176.346 177.300 -0.109 0.000 1.237 115 P CA -0.637 62.326 63.100 -0.228 0.000 0.793 115 P CB 0.482 31.844 31.700 -0.564 0.000 0.977 116 R N 0.495 120.960 120.500 -0.058 0.000 2.694 116 R HA 0.414 4.963 4.340 0.348 0.000 0.268 116 R C 0.427 176.705 176.300 -0.038 0.000 1.061 116 R CA -0.112 55.968 56.100 -0.033 0.000 1.133 116 R CB -0.634 29.658 30.300 -0.013 0.000 1.020 116 R HN 0.553 nan 8.270 nan 0.000 0.475 117 A N 1.306 124.110 122.820 -0.027 0.000 2.565 117 A HA 0.380 4.909 4.320 0.348 0.000 0.237 117 A C 1.419 178.986 177.584 -0.028 0.000 1.053 117 A CA 0.689 52.709 52.037 -0.027 0.000 0.755 117 A CB -0.731 18.257 19.000 -0.020 0.000 0.980 117 A HN 0.944 nan 8.150 nan 0.000 0.506 118 G N 1.923 110.701 108.800 -0.037 0.000 2.179 118 G HA2 -0.230 3.939 3.960 0.348 0.000 0.260 118 G HA3 -0.230 3.939 3.960 0.348 0.000 0.260 118 G C 0.494 175.384 174.900 -0.017 0.000 0.977 118 G CA 0.592 45.671 45.100 -0.035 0.000 0.641 118 G HN 1.253 nan 8.290 nan 0.000 0.533 119 T N 2.221 116.773 114.554 -0.004 0.000 2.888 119 T HA 0.490 5.049 4.350 0.348 0.000 0.301 119 T C 0.402 175.136 174.700 0.058 0.000 1.001 119 T CA 0.371 62.492 62.100 0.034 0.000 1.147 119 T CB 1.127 70.033 68.868 0.063 0.000 0.931 119 T HN 0.247 nan 8.240 nan 0.000 0.541 120 I N 3.883 124.482 120.570 0.049 0.000 2.465 120 I HA 0.363 4.742 4.170 0.348 0.000 0.291 120 I C 0.109 176.243 176.117 0.029 0.000 1.014 120 I CA -0.904 60.420 61.300 0.041 0.000 1.093 120 I CB 1.574 39.580 38.000 0.010 0.000 1.267 120 I HN 0.501 nan 8.210 nan 0.000 0.431 121 L N 4.414 125.640 121.223 0.005 0.000 2.371 121 L HA 0.503 5.052 4.340 0.348 0.000 0.272 121 L C 0.960 177.805 176.870 -0.042 0.000 1.124 121 L CA -0.444 54.363 54.840 -0.055 0.000 0.816 121 L CB 0.924 42.898 42.059 -0.142 0.000 1.129 121 L HN 0.712 nan 8.230 nan 0.000 0.448 122 A N 2.471 125.264 122.820 -0.045 0.000 2.425 122 A HA 0.081 4.610 4.320 0.348 0.000 0.242 122 A C 0.186 177.745 177.584 -0.042 0.000 1.077 122 A CA -0.291 51.726 52.037 -0.033 0.000 0.781 122 A CB -0.047 18.936 19.000 -0.029 0.000 1.020 122 A HN 0.810 nan 8.150 nan 0.000 0.494 123 N N 0.550 119.230 118.700 -0.033 0.000 2.345 123 N HA -0.073 4.875 4.740 0.348 0.000 0.243 123 N C 0.542 176.025 175.510 -0.045 0.000 1.246 123 N CA 1.517 54.542 53.050 -0.041 0.000 0.863 123 N CB -0.036 38.428 38.487 -0.039 0.000 1.096 123 N HN 0.764 nan 8.380 nan 0.000 0.446 124 N N 0.008 118.676 118.700 -0.054 0.000 2.741 124 N HA -0.213 4.736 4.740 0.348 0.000 0.250 124 N C -1.372 174.100 175.510 -0.063 0.000 1.115 124 N CA 0.946 53.965 53.050 -0.052 0.000 0.724 124 N CB -1.277 37.198 38.487 -0.021 0.000 1.090 124 N HN 0.436 nan 8.380 nan 0.000 0.558 125 S N 1.022 116.666 115.700 -0.093 0.000 2.565 125 S HA 0.332 5.011 4.470 0.348 0.000 0.276 125 S C -2.261 172.253 174.600 -0.143 0.000 1.326 125 S CA -0.717 57.420 58.200 -0.106 0.000 1.045 125 S CB 1.160 64.275 63.200 -0.141 0.000 0.918 125 S HN 0.176 nan 8.310 nan 0.000 0.505 126 P HA 0.337 nan 4.420 nan 0.000 0.276 126 P C -0.988 176.252 177.300 -0.099 0.000 1.253 126 P CA -0.208 62.857 63.100 -0.058 0.000 0.766 126 P CB 0.025 31.830 31.700 0.174 0.000 0.845 127 c N 3.671 122.085 118.600 -0.311 0.000 3.241 127 c HA 0.556 5.335 4.570 0.348 0.000 0.312 127 c C -0.917 172.987 174.090 -0.309 0.000 1.350 127 c CA -0.459 55.776 56.329 -0.156 0.000 1.415 127 c CB 1.498 43.859 42.510 -0.247 0.000 1.770 127 c HN 0.497 nan 8.230 nan 0.000 0.466 128 Y N 0.890 121.196 120.300 0.010 0.000 2.391 128 Y HA 0.647 5.404 4.550 0.344 0.000 0.341 128 Y C 0.097 175.884 175.900 -0.189 0.000 0.965 128 Y CA -0.504 57.553 58.100 -0.072 0.000 1.067 128 Y CB 1.331 39.705 38.460 -0.143 0.000 1.199 128 Y HN 0.652 nan 8.280 nan 0.000 0.450 129 I N 3.672 124.245 120.570 0.005 0.000 2.440 129 I HA 0.523 4.902 4.170 0.348 0.000 0.294 129 I C -0.433 175.626 176.117 -0.098 0.000 0.995 129 I CA -0.095 61.189 61.300 -0.027 0.000 1.306 129 I CB 0.927 38.998 38.000 0.119 0.000 1.407 129 I HN 0.786 nan 8.210 nan 0.000 0.501 130 T N 2.782 117.233 114.554 -0.172 0.000 2.906 130 T HA 0.934 5.493 4.350 0.348 0.000 0.295 130 T C -0.360 174.223 174.700 -0.195 0.000 1.061 130 T CA -0.531 61.406 62.100 -0.272 0.000 1.000 130 T CB 1.871 70.444 68.868 -0.492 0.000 1.103 130 T HN 1.073 nan 8.240 nan 0.000 0.486 131 G N -0.200 108.423 108.800 -0.296 0.000 2.316 131 G HA2 0.353 4.522 3.960 0.348 0.000 0.296 131 G HA3 0.353 4.522 3.960 0.348 0.000 0.296 131 G C -1.133 173.577 174.900 -0.317 0.000 1.399 131 G CA -0.861 44.094 45.100 -0.241 0.000 0.833 131 G HN 0.676 nan 8.290 nan 0.000 0.565 132 W N 1.086 122.344 121.300 -0.070 0.000 3.239 132 W HA 0.359 5.094 4.660 0.125 0.000 0.368 132 W C 1.267 177.712 176.519 -0.125 0.000 1.154 132 W CA -0.102 57.124 57.345 -0.198 0.000 1.860 132 W CB 0.703 29.857 29.460 -0.512 0.000 1.094 132 W HN 0.848 nan 8.180 nan 0.000 0.643 133 G N 1.211 110.118 108.800 0.178 0.000 2.744 133 G HA2 0.175 4.344 3.960 0.348 0.000 0.257 133 G HA3 0.175 4.344 3.960 0.348 0.000 0.257 133 G C 0.233 175.206 174.900 0.122 0.000 1.244 133 G CA -0.605 44.602 45.100 0.179 0.000 0.916 133 G HN -0.031 nan 8.290 nan 0.000 0.564 134 L N -0.173 121.122 121.223 0.120 0.000 2.573 134 L HA -0.005 4.544 4.340 0.348 0.000 0.290 134 L C 2.003 178.917 176.870 0.073 0.000 1.247 134 L CA 0.635 55.531 54.840 0.093 0.000 0.876 134 L CB 0.279 42.391 42.059 0.089 0.000 1.123 134 L HN 0.794 nan 8.230 nan 0.000 0.505 135 T N -1.074 113.517 114.554 0.062 0.000 3.107 135 T HA 0.184 4.743 4.350 0.348 0.000 0.249 135 T C 0.674 175.403 174.700 0.049 0.000 1.096 135 T CA -0.157 61.974 62.100 0.052 0.000 1.012 135 T CB 0.198 69.094 68.868 0.046 0.000 0.977 135 T HN 0.455 nan 8.240 nan 0.000 0.527 136 R N 0.641 121.171 120.500 0.050 0.000 2.680 136 R HA 0.423 4.972 4.340 0.348 0.000 0.269 136 R C -0.962 175.367 176.300 0.048 0.000 1.026 136 R CA -0.596 55.531 56.100 0.045 0.000 0.889 136 R CB 1.032 31.356 30.300 0.039 0.000 1.241 136 R HN 0.100 nan 8.270 nan 0.000 0.463 137 T N 3.177 117.757 114.554 0.043 0.000 2.905 137 T HA -0.003 4.556 4.350 0.348 0.000 0.299 137 T C 0.623 175.349 174.700 0.043 0.000 1.024 137 T CA 0.457 62.583 62.100 0.044 0.000 1.151 137 T CB -0.118 68.772 68.868 0.036 0.000 0.987 137 T HN 0.469 nan 8.240 nan 0.000 0.535 138 N N 0.938 119.667 118.700 0.049 0.000 2.725 138 N HA -0.142 4.807 4.740 0.348 0.000 0.249 138 N C 0.547 176.085 175.510 0.047 0.000 1.103 138 N CA 1.094 54.172 53.050 0.047 0.000 0.707 138 N CB -1.207 37.302 38.487 0.037 0.000 1.043 138 N HN 0.830 nan 8.380 nan 0.000 0.553 139 G N -0.314 108.518 108.800 0.053 0.000 2.945 139 G HA2 0.551 4.719 3.960 0.348 0.000 0.156 139 G HA3 0.551 4.719 3.960 0.348 0.000 0.156 139 G C -0.041 174.895 174.900 0.059 0.000 1.375 139 G CA -0.059 45.072 45.100 0.051 0.000 1.039 139 G HN 0.309 nan 8.290 nan 0.000 0.586 140 Q N -0.967 118.868 119.800 0.060 0.000 2.433 140 Q HA 0.613 5.162 4.340 0.348 0.000 0.279 140 Q C -0.891 175.153 176.000 0.073 0.000 1.105 140 Q CA -0.889 54.953 55.803 0.065 0.000 0.815 140 Q CB 1.954 30.724 28.738 0.053 0.000 1.403 140 Q HN 0.363 nan 8.270 nan 0.000 0.435 141 L N 1.381 122.654 121.223 0.083 0.000 2.483 141 L HA 0.311 4.860 4.340 0.348 0.000 0.275 141 L C 0.523 177.438 176.870 0.075 0.000 1.220 141 L CA -0.193 54.699 54.840 0.088 0.000 0.833 141 L CB 0.295 42.400 42.059 0.078 0.000 1.102 141 L HN 0.863 nan 8.230 nan 0.000 0.490 142 A N 2.008 124.883 122.820 0.093 0.000 2.366 142 A HA 0.186 4.715 4.320 0.348 0.000 0.249 142 A C 0.759 178.422 177.584 0.131 0.000 1.084 142 A CA -0.195 51.900 52.037 0.095 0.000 0.794 142 A CB 0.588 19.636 19.000 0.079 0.000 1.034 142 A HN 0.892 nan 8.150 nan 0.000 0.491 143 Q N -0.283 119.577 119.800 0.100 0.000 2.134 143 Q HA 0.005 4.553 4.340 0.348 0.000 0.195 143 Q C 0.618 176.715 176.000 0.163 0.000 0.958 143 Q CA 1.458 57.315 55.803 0.090 0.000 0.840 143 Q CB -0.198 28.570 28.738 0.049 0.000 0.918 143 Q HN 0.933 nan 8.270 nan 0.000 0.467 144 T N -0.913 113.692 114.554 0.085 0.000 2.902 144 T HA 0.422 4.981 4.350 0.348 0.000 0.283 144 T C -0.076 174.502 174.700 -0.203 0.000 1.009 144 T CA -0.889 61.164 62.100 -0.077 0.000 1.051 144 T CB 1.386 70.172 68.868 -0.138 0.000 0.999 144 T HN 0.013 nan 8.240 nan 0.000 0.474 145 L N 2.793 123.709 121.223 -0.512 0.000 2.578 145 L HA 0.177 4.726 4.340 0.348 0.000 0.279 145 L C 0.130 176.763 176.870 -0.396 0.000 1.227 145 L CA 0.871 55.194 54.840 -0.862 0.000 0.900 145 L CB -0.096 41.528 42.059 -0.725 0.000 1.144 145 L HN 0.658 nan 8.230 nan 0.000 0.496 146 Q N 4.453 124.035 119.800 -0.363 0.000 2.297 146 Q HA 0.466 5.015 4.340 0.348 0.000 0.269 146 Q C -1.078 174.845 176.000 -0.129 0.000 1.051 146 Q CA -0.607 55.107 55.803 -0.149 0.000 0.869 146 Q CB 2.004 30.689 28.738 -0.088 0.000 1.346 146 Q HN 0.756 nan 8.270 nan 0.000 0.457 147 Q N -0.884 118.904 119.800 -0.020 0.000 2.359 147 Q HA 0.863 5.412 4.340 0.348 0.000 0.274 147 Q C -1.773 174.325 176.000 0.164 0.000 1.074 147 Q CA -1.073 54.742 55.803 0.019 0.000 0.810 147 Q CB 2.268 31.026 28.738 0.034 0.000 1.342 147 Q HN 0.539 nan 8.270 nan 0.000 0.427 148 A N 1.993 124.954 122.820 0.236 0.000 2.422 148 A HA 0.495 5.024 4.320 0.348 0.000 0.302 148 A C -2.089 175.638 177.584 0.239 0.000 1.041 148 A CA -0.662 51.521 52.037 0.244 0.000 0.708 148 A CB 1.308 20.387 19.000 0.130 0.000 1.257 148 A HN 0.731 nan 8.150 nan 0.000 0.414 149 Y N 2.836 123.139 120.300 0.006 0.000 2.436 149 Y HA 0.558 5.316 4.550 0.347 0.000 0.343 149 Y C -0.747 175.043 175.900 -0.182 0.000 1.008 149 Y CA -0.266 57.610 58.100 -0.374 0.000 1.241 149 Y CB 0.389 38.654 38.460 -0.324 0.000 1.153 149 Y HN 0.483 nan 8.280 nan 0.000 0.521 150 L N 10.137 130.988 121.223 -0.620 0.000 2.454 150 L HA 0.369 4.918 4.340 0.348 0.000 0.258 150 L C -2.552 174.010 176.870 -0.512 0.000 1.025 150 L CA -2.091 52.513 54.840 -0.393 0.000 0.901 150 L CB 1.532 43.503 42.059 -0.148 0.000 1.210 150 L HN 0.539 nan 8.230 nan 0.000 0.457 151 P HA 0.079 nan 4.420 nan 0.000 0.271 151 P C 0.164 177.340 177.300 -0.208 0.000 1.216 151 P CA -0.100 62.761 63.100 -0.398 0.000 0.776 151 P CB 0.602 32.145 31.700 -0.262 0.000 0.881 152 T N -0.721 113.727 114.554 -0.177 0.000 2.856 152 T HA 0.268 4.827 4.350 0.348 0.000 0.306 152 T C 0.001 174.661 174.700 -0.067 0.000 1.062 152 T CA -0.412 61.621 62.100 -0.112 0.000 1.083 152 T CB 0.088 68.887 68.868 -0.115 0.000 0.984 152 T HN 0.098 nan 8.240 nan 0.000 0.542 153 V N 3.472 123.364 119.914 -0.037 0.000 2.380 153 V HA 0.296 4.625 4.120 0.348 0.000 0.286 153 V C 0.008 176.068 176.094 -0.056 0.000 1.015 153 V CA -1.112 61.155 62.300 -0.056 0.000 0.834 153 V CB 0.932 32.731 31.823 -0.041 0.000 1.009 153 V HN 1.158 nan 8.190 nan 0.000 0.428 154 D N 2.901 123.263 120.400 -0.063 0.000 2.362 154 D HA -0.104 4.745 4.640 0.348 0.000 0.238 154 D C 1.110 177.406 176.300 -0.006 0.000 1.212 154 D CA -0.060 53.931 54.000 -0.016 0.000 0.902 154 D CB 0.683 41.478 40.800 -0.009 0.000 1.180 154 D HN 0.462 nan 8.370 nan 0.000 0.445 155 Y N 1.062 121.334 120.300 -0.047 0.000 2.128 155 Y HA -0.220 4.538 4.550 0.346 0.000 0.284 155 Y C 2.446 178.324 175.900 -0.038 0.000 1.154 155 Y CA 2.775 60.856 58.100 -0.032 0.000 1.149 155 Y CB -0.693 37.755 38.460 -0.021 0.000 0.976 155 Y HN 0.490 nan 8.280 nan 0.000 0.505 156 A N 0.378 123.128 122.820 -0.115 0.000 1.883 156 A HA -0.194 4.334 4.320 0.348 0.000 0.217 156 A C 2.310 179.742 177.584 -0.253 0.000 1.186 156 A CA 2.220 54.142 52.037 -0.193 0.000 0.624 156 A CB -1.132 17.838 19.000 -0.050 0.000 0.822 156 A HN 0.590 nan 8.150 nan 0.000 0.444 157 I N -1.376 119.043 120.570 -0.252 0.000 2.233 157 I HA -0.229 4.150 4.170 0.348 0.000 0.243 157 I C 2.625 178.427 176.117 -0.525 0.000 1.093 157 I CA 1.011 62.075 61.300 -0.393 0.000 1.380 157 I CB -0.446 37.284 38.000 -0.450 0.000 1.067 157 I HN 0.497 nan 8.210 nan 0.000 0.413 158 c N 0.908 119.283 118.600 -0.375 0.000 2.422 158 c HA -0.112 4.667 4.570 0.348 0.000 0.279 158 c C 2.967 177.049 174.090 -0.013 0.000 1.305 158 c CA 1.570 57.801 56.329 -0.163 0.000 1.757 158 c CB -1.078 41.425 42.510 -0.011 0.000 1.962 158 c HN 0.632 nan 8.230 nan 0.000 0.499 159 S N 0.271 115.828 115.700 -0.237 0.000 2.597 159 S HA 0.149 4.828 4.470 0.348 0.000 0.224 159 S C 0.517 175.053 174.600 -0.107 0.000 0.955 159 S CA 0.380 58.460 58.200 -0.200 0.000 0.933 159 S CB -0.529 62.314 63.200 -0.594 0.000 0.788 159 S HN 0.751 nan 8.310 nan 0.000 0.488 160 S N 1.590 117.252 115.700 -0.064 0.000 2.614 160 S HA 0.345 5.023 4.470 0.348 0.000 0.265 160 S C 1.393 176.047 174.600 0.090 0.000 1.303 160 S CA -0.041 58.163 58.200 0.006 0.000 1.000 160 S CB 1.157 64.363 63.200 0.009 0.000 0.935 160 S HN 0.509 nan 8.310 nan 0.000 0.551 161 S N 0.999 116.736 115.700 0.063 0.000 2.400 161 S HA -0.165 4.514 4.470 0.348 0.000 0.232 161 S C 1.841 176.464 174.600 0.038 0.000 1.025 161 S CA 1.235 59.464 58.200 0.049 0.000 0.993 161 S CB -1.318 61.896 63.200 0.024 0.000 0.808 161 S HN 1.175 nan 8.310 nan 0.000 0.478 162 S N -0.663 115.071 115.700 0.056 0.000 2.562 162 S HA 0.205 4.884 4.470 0.348 0.000 0.221 162 S C 0.904 175.402 174.600 -0.171 0.000 0.975 162 S CA -0.347 57.820 58.200 -0.055 0.000 0.918 162 S CB -0.486 62.667 63.200 -0.078 0.000 0.772 162 S HN 0.600 nan 8.310 nan 0.000 0.531 163 Y N -0.386 119.864 120.300 -0.083 0.000 2.955 163 Y HA 0.418 5.175 4.550 0.346 0.000 0.238 163 Y C 1.389 177.186 175.900 -0.173 0.000 0.940 163 Y CA -0.251 57.775 58.100 -0.122 0.000 1.389 163 Y CB -0.490 37.967 38.460 -0.005 0.000 1.100 163 Y HN 0.179 nan 8.280 nan 0.000 0.558 164 W N 0.407 121.825 121.300 0.198 0.000 3.211 164 W HA 0.361 5.231 4.660 0.349 0.000 0.292 164 W C 1.151 177.720 176.519 0.082 0.000 1.268 164 W CA 0.776 58.198 57.345 0.127 0.000 1.702 164 W CB -0.087 29.464 29.460 0.151 0.000 1.092 164 W HN 0.649 nan 8.180 nan 0.000 0.643 165 G N 1.231 110.177 108.800 0.243 0.000 2.564 165 G HA2 -0.451 3.718 3.960 0.348 0.000 0.273 165 G HA3 -0.451 3.718 3.960 0.348 0.000 0.273 165 G C 1.140 176.126 174.900 0.143 0.000 1.242 165 G CA 0.980 46.166 45.100 0.143 0.000 0.951 165 G HN 0.439 nan 8.290 nan 0.000 0.564 166 S N -1.246 114.525 115.700 0.118 0.000 2.507 166 S HA 0.011 4.690 4.470 0.348 0.000 0.235 166 S C 2.117 176.795 174.600 0.129 0.000 0.988 166 S CA 2.153 60.419 58.200 0.110 0.000 0.944 166 S CB -0.373 62.874 63.200 0.079 0.000 0.762 166 S HN 1.016 nan 8.310 nan 0.000 0.526 167 T N 1.851 116.509 114.554 0.173 0.000 2.788 167 T HA 0.055 4.614 4.350 0.348 0.000 0.268 167 T C 0.718 175.510 174.700 0.153 0.000 1.044 167 T CA 0.918 63.113 62.100 0.159 0.000 1.139 167 T CB -0.277 68.773 68.868 0.302 0.000 0.867 167 T HN 0.279 nan 8.240 nan 0.000 0.454 168 V N 2.657 122.684 119.914 0.188 0.000 2.546 168 V HA 0.283 4.612 4.120 0.348 0.000 0.284 168 V C 0.111 176.343 176.094 0.230 0.000 1.050 168 V CA -0.376 62.011 62.300 0.145 0.000 0.981 168 V CB 1.324 33.201 31.823 0.089 0.000 0.990 168 V HN 0.181 nan 8.190 nan 0.000 0.474 169 K N 3.041 123.557 120.400 0.194 0.000 2.295 169 K HA 0.373 4.901 4.320 0.348 0.000 0.239 169 K C 0.576 177.218 176.600 0.069 0.000 0.991 169 K CA -0.944 55.437 56.287 0.157 0.000 0.845 169 K CB 0.908 33.418 32.500 0.015 0.000 1.197 169 K HN 0.429 nan 8.250 nan 0.000 0.441 170 N N 0.315 118.879 118.700 -0.227 0.000 2.550 170 N HA -0.111 4.838 4.740 0.348 0.000 0.186 170 N C 0.660 176.066 175.510 -0.173 0.000 1.110 170 N CA 0.775 53.597 53.050 -0.380 0.000 0.912 170 N CB 0.130 38.258 38.487 -0.598 0.000 0.968 170 N HN 0.512 nan 8.380 nan 0.000 0.448 171 S N -1.293 114.331 115.700 -0.127 0.000 2.650 171 S HA 0.208 4.887 4.470 0.348 0.000 0.219 171 S C 0.478 175.079 174.600 0.002 0.000 0.960 171 S CA -0.154 57.990 58.200 -0.093 0.000 0.925 171 S CB -0.225 62.883 63.200 -0.154 0.000 0.775 171 S HN 0.139 nan 8.310 nan 0.000 0.525 172 M N 0.789 120.395 119.600 0.011 0.000 2.716 172 M HA 0.568 5.257 4.480 0.348 0.000 0.307 172 M C -1.328 175.002 176.300 0.050 0.000 1.223 172 M CA -0.831 54.487 55.300 0.030 0.000 0.871 172 M CB 2.479 35.071 32.600 -0.013 0.000 1.739 172 M HN -0.141 nan 8.290 nan 0.000 0.475 173 V N 0.653 120.611 119.914 0.073 0.000 2.540 173 V HA 0.433 4.762 4.120 0.348 0.000 0.302 173 V C -0.843 175.333 176.094 0.137 0.000 1.035 173 V CA -0.810 61.539 62.300 0.081 0.000 0.873 173 V CB 1.653 33.497 31.823 0.035 0.000 0.992 173 V HN 0.958 nan 8.190 nan 0.000 0.428 174 c N 3.696 122.349 118.600 0.088 0.000 2.366 174 c HA 0.967 5.745 4.570 0.348 0.000 0.345 174 c C 0.522 174.692 174.090 0.134 0.000 1.209 174 c CA -0.486 55.914 56.329 0.118 0.000 2.050 174 c CB 0.715 43.284 42.510 0.098 0.000 2.359 174 c HN 1.058 nan 8.230 nan 0.000 0.527 175 A N 1.879 124.831 122.820 0.220 0.000 2.520 175 A HA 0.883 5.412 4.320 0.348 0.000 0.298 175 A C 0.074 177.733 177.584 0.126 0.000 1.051 175 A CA 0.497 52.599 52.037 0.108 0.000 0.690 175 A CB 0.861 19.862 19.000 0.001 0.000 1.281 175 A HN 2.445 nan 8.150 nan 0.000 0.402 176 G N 1.046 109.870 108.800 0.040 0.000 2.603 176 G HA2 0.415 4.583 3.960 0.348 0.000 0.245 176 G HA3 0.415 4.583 3.960 0.348 0.000 0.245 176 G C 1.441 176.399 174.900 0.097 0.000 1.195 176 G CA 1.496 46.625 45.100 0.048 0.000 0.953 176 G HN 2.872 nan 8.290 nan 0.000 0.566 177 G N -0.283 108.579 108.800 0.103 0.000 2.141 177 G HA2 -0.039 4.129 3.960 0.348 0.000 0.242 177 G HA3 -0.039 4.129 3.960 0.348 0.000 0.242 177 G C 0.818 175.746 174.900 0.048 0.000 0.982 177 G CA 1.463 46.620 45.100 0.095 0.000 0.662 177 G HN 2.229 nan 8.290 nan 0.000 0.527 178 D N -0.034 120.393 120.400 0.045 0.000 2.355 178 D HA 0.326 5.175 4.640 0.348 0.000 0.218 178 D C 1.913 178.221 176.300 0.013 0.000 1.004 178 D CA 0.942 54.961 54.000 0.031 0.000 0.880 178 D CB -0.656 40.169 40.800 0.042 0.000 0.911 178 D HN 1.617 nan 8.370 nan 0.000 0.528 179 G N -0.781 108.024 108.800 0.009 0.000 2.179 179 G HA2 -0.301 3.867 3.960 0.348 0.000 0.260 179 G HA3 -0.301 3.867 3.960 0.348 0.000 0.260 179 G C 0.866 175.774 174.900 0.013 0.000 0.977 179 G CA 0.452 45.551 45.100 -0.001 0.000 0.641 179 G HN 0.393 nan 8.290 nan 0.000 0.533 180 V N -0.374 119.556 119.914 0.027 0.000 2.996 180 V HA 0.363 4.692 4.120 0.348 0.000 0.235 180 V C 1.337 177.458 176.094 0.045 0.000 1.205 180 V CA 1.207 63.527 62.300 0.034 0.000 1.225 180 V CB 0.241 32.087 31.823 0.039 0.000 0.995 180 V HN 0.324 nan 8.190 nan 0.000 0.484 181 R N 0.804 121.335 120.500 0.052 0.000 2.589 181 R HA 0.719 5.268 4.340 0.348 0.000 0.293 181 R C -0.625 175.711 176.300 0.061 0.000 0.963 181 R CA 0.262 56.399 56.100 0.061 0.000 0.905 181 R CB 1.972 32.316 30.300 0.073 0.000 1.144 181 R HN 0.541 nan 8.270 nan 0.000 0.459 182 S N -0.188 115.551 115.700 0.065 0.000 2.643 182 S HA 0.484 5.163 4.470 0.348 0.000 0.266 182 S C -0.309 174.331 174.600 0.066 0.000 1.130 182 S CA -0.944 57.297 58.200 0.069 0.000 0.817 182 S CB 0.899 64.136 63.200 0.061 0.000 1.107 182 S HN 0.673 nan 8.310 nan 0.000 0.471 183 G N -0.783 108.049 108.800 0.053 0.000 2.599 183 G HA2 0.574 4.742 3.960 0.348 0.000 0.264 183 G HA3 0.574 4.742 3.960 0.348 0.000 0.264 183 G C -0.252 174.674 174.900 0.042 0.000 1.200 183 G CA -0.135 44.986 45.100 0.035 0.000 0.896 183 G HN 1.204 nan 8.290 nan 0.000 0.536 184 c N -1.505 117.131 118.600 0.060 0.000 3.320 184 c HA 0.521 5.299 4.570 0.348 0.000 0.335 184 c C -0.639 173.513 174.090 0.103 0.000 1.430 184 c CA -0.723 55.652 56.329 0.077 0.000 1.271 184 c CB 1.080 43.636 42.510 0.076 0.000 1.609 184 c HN 0.821 nan 8.230 nan 0.000 0.457 185 Q N 0.749 120.618 119.800 0.114 0.000 2.286 185 Q HA 0.416 4.965 4.340 0.348 0.000 0.290 185 Q C 1.003 177.114 176.000 0.185 0.000 1.049 185 Q CA 2.183 58.073 55.803 0.145 0.000 0.923 185 Q CB 0.280 29.098 28.738 0.133 0.000 1.183 185 Q HN 1.480 nan 8.270 nan 0.000 0.383 186 G N 2.355 111.290 108.800 0.226 0.000 2.238 186 G HA2 -0.218 3.950 3.960 0.348 0.000 0.217 186 G HA3 -0.218 3.950 3.960 0.348 0.000 0.217 186 G C 0.504 175.628 174.900 0.374 0.000 0.996 186 G CA 0.141 45.440 45.100 0.332 0.000 0.632 186 G HN 0.627 nan 8.290 nan 0.000 0.503 187 D N 0.965 121.506 120.400 0.235 0.000 2.305 187 D HA 0.181 5.030 4.640 0.348 0.000 0.206 187 D C 1.444 177.828 176.300 0.140 0.000 0.974 187 D CA 0.774 54.886 54.000 0.188 0.000 0.871 187 D CB 0.005 40.872 40.800 0.112 0.000 0.947 187 D HN 0.340 nan 8.370 nan 0.000 0.516 188 S N -0.381 115.397 115.700 0.131 0.000 2.643 188 S HA 0.193 4.872 4.470 0.348 0.000 0.310 188 S C 1.577 176.168 174.600 -0.015 0.000 1.253 188 S CA 1.014 59.268 58.200 0.090 0.000 1.047 188 S CB 0.602 63.910 63.200 0.181 0.000 0.767 188 S HN 0.515 nan 8.310 nan 0.000 0.498 189 G N 2.328 111.088 108.800 -0.068 0.000 2.299 189 G HA2 -0.210 3.959 3.960 0.348 0.000 0.237 189 G HA3 -0.210 3.959 3.960 0.348 0.000 0.237 189 G C 0.485 175.379 174.900 -0.010 0.000 1.027 189 G CA 0.168 45.211 45.100 -0.095 0.000 0.619 189 G HN 1.164 nan 8.290 nan 0.000 0.513 190 G N 1.260 110.085 108.800 0.043 0.000 2.621 190 G HA2 0.598 4.766 3.960 0.348 0.000 0.271 190 G HA3 0.598 4.766 3.960 0.348 0.000 0.271 190 G C -1.868 173.037 174.900 0.009 0.000 1.236 190 G CA -0.120 45.009 45.100 0.050 0.000 0.958 190 G HN 0.443 nan 8.290 nan 0.000 0.512 191 P HA 0.283 nan 4.420 nan 0.000 0.279 191 P C -1.085 175.987 177.300 -0.379 0.000 1.252 191 P CA -0.524 62.397 63.100 -0.298 0.000 0.811 191 P CB 1.880 33.199 31.700 -0.635 0.000 1.035 192 L N 3.510 124.465 121.223 -0.447 0.000 2.294 192 L HA 0.361 4.910 4.340 0.348 0.000 0.283 192 L C -0.337 176.294 176.870 -0.398 0.000 1.015 192 L CA -0.427 54.075 54.840 -0.564 0.000 0.831 192 L CB 0.058 41.505 42.059 -1.020 0.000 1.217 192 L HN 0.344 nan 8.230 nan 0.000 0.420 193 H N 4.421 123.411 119.070 -0.134 0.000 2.552 193 H HA 0.407 5.167 4.556 0.341 0.000 0.311 193 H C -0.809 174.678 175.328 0.264 0.000 1.071 193 H CA -0.509 55.601 56.048 0.104 0.000 1.307 193 H CB 1.129 30.919 29.762 0.046 0.000 1.416 193 H HN 0.576 nan 8.280 nan 0.000 0.464 194 c N 4.080 122.893 118.600 0.355 0.000 2.455 194 c HA 0.197 4.976 4.570 0.348 0.000 0.320 194 c C 0.328 174.417 174.090 -0.002 0.000 1.226 194 c CA -0.949 55.443 56.329 0.105 0.000 1.569 194 c CB 1.299 43.633 42.510 -0.293 0.000 2.200 194 c HN 0.651 nan 8.230 nan 0.000 0.491 195 L N 4.353 125.446 121.223 -0.217 0.000 2.325 195 L HA 0.621 5.170 4.340 0.348 0.000 0.284 195 L C -0.546 176.185 176.870 -0.231 0.000 1.089 195 L CA 0.654 55.204 54.840 -0.482 0.000 0.836 195 L CB 0.271 41.963 42.059 -0.613 0.000 1.184 195 L HN 0.564 nan 8.230 nan 0.000 0.444 196 V N 5.353 125.177 119.914 -0.151 0.000 2.577 196 V HA 0.416 4.745 4.120 0.348 0.000 0.303 196 V C -0.040 176.029 176.094 -0.043 0.000 1.042 196 V CA -0.993 61.263 62.300 -0.072 0.000 0.872 196 V CB 1.560 33.377 31.823 -0.009 0.000 0.998 196 V HN 0.792 nan 8.190 nan 0.000 0.423 197 N N 3.718 122.394 118.700 -0.039 0.000 2.727 197 N HA -0.223 4.726 4.740 0.348 0.000 0.249 197 N C 1.222 176.713 175.510 -0.030 0.000 1.048 197 N CA 1.556 54.592 53.050 -0.024 0.000 0.714 197 N CB -0.966 37.518 38.487 -0.005 0.000 0.959 197 N HN 1.635 nan 8.380 nan 0.000 0.544 198 G N -0.872 107.894 108.800 -0.057 0.000 2.205 198 G HA2 -0.358 3.810 3.960 0.348 0.000 0.261 198 G HA3 -0.358 3.810 3.960 0.348 0.000 0.261 198 G C -0.173 174.690 174.900 -0.062 0.000 0.980 198 G CA 0.880 45.945 45.100 -0.057 0.000 0.632 198 G HN 0.714 nan 8.290 nan 0.000 0.533 199 Q N -0.591 119.173 119.800 -0.060 0.000 2.365 199 Q HA 0.618 5.167 4.340 0.348 0.000 0.269 199 Q C -0.985 175.006 176.000 -0.016 0.000 1.061 199 Q CA -1.044 54.760 55.803 0.002 0.000 0.816 199 Q CB 1.307 30.072 28.738 0.044 0.000 1.325 199 Q HN 0.216 nan 8.270 nan 0.000 0.446 200 Y N 0.867 121.249 120.300 0.137 0.000 2.377 200 Y HA 0.470 5.231 4.550 0.352 0.000 0.330 200 Y C 0.305 176.344 175.900 0.232 0.000 1.108 200 Y CA 0.366 58.600 58.100 0.222 0.000 1.308 200 Y CB 1.491 40.136 38.460 0.309 0.000 1.216 200 Y HN 0.654 nan 8.280 nan 0.000 0.518 201 A N 2.304 125.367 122.820 0.407 0.000 2.423 201 A HA 0.725 5.253 4.320 0.348 0.000 0.304 201 A C -1.430 176.372 177.584 0.363 0.000 1.104 201 A CA -0.815 51.421 52.037 0.332 0.000 0.757 201 A CB 1.073 20.215 19.000 0.236 0.000 1.313 201 A HN 0.454 nan 8.150 nan 0.000 0.423 202 V N 3.169 123.194 119.914 0.184 0.000 2.322 202 V HA 0.153 4.482 4.120 0.348 0.000 0.258 202 V C 0.821 176.915 176.094 0.001 0.000 1.074 202 V CA 0.052 62.391 62.300 0.065 0.000 0.909 202 V CB -0.465 31.360 31.823 0.003 0.000 1.090 202 V HN 1.002 nan 8.190 nan 0.000 0.486 203 H N 3.080 122.107 119.070 -0.072 0.000 2.563 203 H HA 0.246 5.010 4.556 0.345 0.000 0.264 203 H C 1.088 176.355 175.328 -0.101 0.000 0.957 203 H CA 0.686 56.691 56.048 -0.072 0.000 1.173 203 H CB 1.289 30.998 29.762 -0.089 0.000 1.420 203 H HN 0.684 nan 8.280 nan 0.000 0.551 204 G N 0.361 109.117 108.800 -0.072 0.000 2.612 204 G HA2 0.440 4.609 3.960 0.348 0.000 0.298 204 G HA3 0.440 4.609 3.960 0.348 0.000 0.298 204 G C -1.391 173.531 174.900 0.037 0.000 1.336 204 G CA -0.354 44.712 45.100 -0.056 0.000 0.953 204 G HN -0.019 nan 8.290 nan 0.000 0.482 205 V N 1.364 121.364 119.914 0.144 0.000 2.350 205 V HA 0.329 4.658 4.120 0.348 0.000 0.285 205 V C 0.446 176.646 176.094 0.176 0.000 1.014 205 V CA -0.643 61.719 62.300 0.103 0.000 0.831 205 V CB 1.314 33.128 31.823 -0.015 0.000 1.000 205 V HN 0.825 nan 8.190 nan 0.000 0.433 206 T N 3.565 118.236 114.554 0.194 0.000 2.822 206 T HA 0.035 4.594 4.350 0.348 0.000 0.288 206 T C 1.047 175.688 174.700 -0.098 0.000 0.991 206 T CA 0.905 62.954 62.100 -0.086 0.000 1.176 206 T CB 0.898 69.743 68.868 -0.038 0.000 0.951 206 T HN 0.822 nan 8.240 nan 0.000 0.526 207 S N 2.447 118.006 115.700 -0.235 0.000 2.891 207 S HA 0.453 5.132 4.470 0.348 0.000 0.247 207 S C -0.133 174.524 174.600 0.095 0.000 1.063 207 S CA -0.386 57.833 58.200 0.031 0.000 0.857 207 S CB 0.221 63.438 63.200 0.028 0.000 0.800 207 S HN 0.686 nan 8.310 nan 0.000 0.540 208 F N 0.928 120.731 119.950 -0.245 0.000 2.713 208 F HA 0.784 5.518 4.527 0.345 0.000 0.311 208 F C -0.974 174.728 175.800 -0.162 0.000 1.141 208 F CA -1.255 56.622 58.000 -0.204 0.000 0.939 208 F CB 1.339 40.206 39.000 -0.222 0.000 1.325 208 F HN 0.054 nan 8.300 nan 0.000 0.453 209 V N -1.382 118.676 119.914 0.242 0.000 3.141 209 V HA 0.776 5.105 4.120 0.348 0.000 0.312 209 V C -0.000 176.415 176.094 0.536 0.000 1.157 209 V CA -0.721 61.767 62.300 0.313 0.000 1.041 209 V CB 0.991 32.913 31.823 0.165 0.000 1.071 209 V HN 1.218 nan 8.190 nan 0.000 0.441 210 S N 0.214 116.233 115.700 0.531 0.000 2.568 210 S HA 0.195 4.874 4.470 0.348 0.000 0.282 210 S C 1.130 175.848 174.600 0.196 0.000 1.338 210 S CA 0.129 58.539 58.200 0.351 0.000 1.045 210 S CB 0.373 63.581 63.200 0.014 0.000 0.873 210 S HN 0.794 nan 8.310 nan 0.000 0.516 211 R N 2.642 123.228 120.500 0.143 0.000 2.237 211 R HA 0.054 4.603 4.340 0.348 0.000 0.219 211 R C 1.860 178.186 176.300 0.043 0.000 1.080 211 R CA 0.770 56.917 56.100 0.078 0.000 0.995 211 R CB -0.309 30.023 30.300 0.053 0.000 0.875 211 R HN 0.643 nan 8.270 nan 0.000 0.462 212 L N -0.441 120.794 121.223 0.020 0.000 2.156 212 L HA 0.005 4.553 4.340 0.348 0.000 0.208 212 L C 1.008 177.884 176.870 0.009 0.000 1.095 212 L CA 0.730 55.568 54.840 -0.003 0.000 0.770 212 L CB 0.056 42.091 42.059 -0.041 0.000 0.914 212 L HN 0.322 nan 8.230 nan 0.000 0.439 213 G N -3.620 105.197 108.800 0.027 0.000 2.321 213 G HA2 0.080 4.249 3.960 0.348 0.000 0.298 213 G HA3 0.080 4.249 3.960 0.348 0.000 0.298 213 G C -0.297 174.634 174.900 0.053 0.000 1.385 213 G CA -0.336 44.785 45.100 0.034 0.000 0.856 213 G HN -0.161 nan 8.290 nan 0.000 0.584 214 c N 0.098 118.731 118.600 0.054 0.000 2.543 214 c HA 0.128 4.906 4.570 0.348 0.000 0.281 214 c C 1.447 175.571 174.090 0.056 0.000 1.276 214 c CA 0.902 57.270 56.329 0.065 0.000 1.700 214 c CB -0.792 41.755 42.510 0.062 0.000 2.093 214 c HN 0.768 nan 8.230 nan 0.000 0.488 215 N N 1.443 120.167 118.700 0.040 0.000 2.868 215 N HA 0.241 5.190 4.740 0.348 0.000 0.252 215 N C -1.189 174.325 175.510 0.007 0.000 1.130 215 N CA 0.313 53.381 53.050 0.030 0.000 1.026 215 N CB 0.432 38.938 38.487 0.031 0.000 1.335 215 N HN 0.238 nan 8.380 nan 0.000 0.516 216 V N 1.525 121.433 119.914 -0.009 0.000 2.448 216 V HA 0.241 4.570 4.120 0.348 0.000 0.295 216 V C 0.405 176.449 176.094 -0.084 0.000 1.025 216 V CA -0.701 61.566 62.300 -0.055 0.000 0.859 216 V CB 1.606 33.379 31.823 -0.084 0.000 0.988 216 V HN 0.493 nan 8.190 nan 0.000 0.431 217 T N 5.788 120.286 114.554 -0.094 0.000 2.908 217 T HA 0.175 4.734 4.350 0.348 0.000 0.301 217 T C 0.955 175.521 174.700 -0.223 0.000 1.019 217 T CA 0.192 62.220 62.100 -0.120 0.000 1.152 217 T CB -0.070 68.736 68.868 -0.104 0.000 0.966 217 T HN 0.760 nan 8.240 nan 0.000 0.540 218 R N 0.432 120.770 120.500 -0.269 0.000 3.878 218 R HA -0.125 4.424 4.340 0.348 0.000 0.330 218 R C -0.465 175.565 176.300 -0.450 0.000 1.186 218 R CA 0.683 56.443 56.100 -0.566 0.000 0.885 218 R CB -0.835 28.953 30.300 -0.854 0.000 1.377 218 R HN 0.454 nan 8.270 nan 0.000 0.523 219 K N 0.374 120.615 120.400 -0.266 0.000 2.842 219 K HA 0.256 4.785 4.320 0.348 0.000 0.176 219 K C -2.470 174.226 176.600 0.160 0.000 1.080 219 K CA -1.576 54.508 56.287 -0.339 0.000 0.954 219 K CB 1.652 33.839 32.500 -0.522 0.000 1.203 219 K HN 0.034 nan 8.250 nan 0.000 0.611 220 P HA -0.021 nan 4.420 nan 0.000 0.269 220 P C -0.098 177.409 177.300 0.345 0.000 1.217 220 P CA 0.062 63.359 63.100 0.328 0.000 0.783 220 P CB 0.414 32.303 31.700 0.316 0.000 0.898 221 T N 0.904 115.541 114.554 0.139 0.000 2.916 221 T HA 0.207 4.766 4.350 0.348 0.000 0.303 221 T C 0.262 174.733 174.700 -0.382 0.000 1.025 221 T CA -0.061 61.959 62.100 -0.133 0.000 1.142 221 T CB 0.068 68.818 68.868 -0.197 0.000 0.947 221 T HN 0.099 nan 8.240 nan 0.000 0.544 222 V N 4.232 123.648 119.914 -0.830 0.000 2.459 222 V HA 0.596 4.925 4.120 0.348 0.000 0.295 222 V C -0.653 174.837 176.094 -1.006 0.000 1.029 222 V CA -0.765 60.952 62.300 -0.972 0.000 0.874 222 V CB 0.958 31.688 31.823 -1.821 0.000 0.985 222 V HN 0.718 nan 8.190 nan 0.000 0.438 223 F N 0.551 120.295 119.950 -0.344 0.000 2.561 223 F HA 0.521 5.248 4.527 0.334 0.000 0.321 223 F C 0.752 176.467 175.800 -0.143 0.000 1.065 223 F CA -0.796 57.084 58.000 -0.200 0.000 0.934 223 F CB 1.726 40.647 39.000 -0.131 0.000 1.215 223 F HN 0.316 nan 8.300 nan 0.000 0.471 224 T N 1.640 116.237 114.554 0.071 0.000 2.888 224 T HA 0.113 4.671 4.350 0.348 0.000 0.301 224 T C 0.231 174.992 174.700 0.101 0.000 1.001 224 T CA -0.312 61.809 62.100 0.035 0.000 1.147 224 T CB 0.210 69.019 68.868 -0.098 0.000 0.931 224 T HN 0.469 nan 8.240 nan 0.000 0.541 225 R N 3.564 124.149 120.500 0.141 0.000 2.291 225 R HA 0.190 4.738 4.340 0.348 0.000 0.333 225 R C 1.039 177.456 176.300 0.194 0.000 1.082 225 R CA -0.273 55.904 56.100 0.129 0.000 0.948 225 R CB -0.122 30.224 30.300 0.077 0.000 1.009 225 R HN 0.525 nan 8.270 nan 0.000 0.460 226 V N 3.106 123.090 119.914 0.116 0.000 2.324 226 V HA -0.302 4.026 4.120 0.348 0.000 0.250 226 V C 2.169 178.332 176.094 0.115 0.000 1.060 226 V CA 2.368 64.740 62.300 0.120 0.000 1.042 226 V CB -0.476 31.355 31.823 0.012 0.000 0.650 226 V HN 0.948 nan 8.190 nan 0.000 0.450 227 S N 0.608 116.317 115.700 0.015 0.000 2.547 227 S HA 0.010 4.688 4.470 0.348 0.000 0.235 227 S C 1.772 176.353 174.600 -0.031 0.000 0.980 227 S CA 1.002 59.188 58.200 -0.023 0.000 0.941 227 S CB -0.267 62.898 63.200 -0.058 0.000 0.763 227 S HN 0.584 nan 8.310 nan 0.000 0.532 228 A N -0.203 122.585 122.820 -0.054 0.000 2.178 228 A HA 0.354 4.883 4.320 0.348 0.000 0.211 228 A C 1.016 178.305 177.584 -0.491 0.000 1.157 228 A CA 0.189 52.048 52.037 -0.296 0.000 0.780 228 A CB -0.390 18.347 19.000 -0.439 0.000 0.828 228 A HN 0.646 nan 8.150 nan 0.000 0.476 229 Y N -1.085 119.252 120.300 0.062 0.000 2.612 229 Y HA 0.257 5.020 4.550 0.356 0.000 0.250 229 Y C 1.496 177.517 175.900 0.202 0.000 1.175 229 Y CA -0.881 57.322 58.100 0.172 0.000 1.205 229 Y CB 0.337 38.911 38.460 0.191 0.000 1.201 229 Y HN 0.122 nan 8.280 nan 0.000 0.532 230 I N -0.585 120.088 120.570 0.172 0.000 2.163 230 I HA -0.286 4.093 4.170 0.348 0.000 0.243 230 I C 2.134 178.303 176.117 0.087 0.000 1.085 230 I CA 1.388 62.750 61.300 0.104 0.000 1.347 230 I CB -1.196 36.824 38.000 0.033 0.000 1.044 230 I HN 0.132 nan 8.210 nan 0.000 0.408 231 S N -0.252 115.502 115.700 0.089 0.000 2.356 231 S HA -0.232 4.447 4.470 0.348 0.000 0.223 231 S C 1.698 176.354 174.600 0.093 0.000 1.032 231 S CA 1.331 59.569 58.200 0.062 0.000 1.005 231 S CB -0.502 62.731 63.200 0.056 0.000 0.867 231 S HN 0.591 nan 8.310 nan 0.000 0.449 232 W N 2.310 123.632 121.300 0.037 0.000 2.317 232 W HA -0.162 4.701 4.660 0.339 0.000 0.318 232 W C 1.750 178.263 176.519 -0.011 0.000 1.227 232 W CA 1.333 58.710 57.345 0.054 0.000 1.269 232 W CB -0.638 28.966 29.460 0.241 0.000 1.155 232 W HN 0.200 nan 8.180 nan 0.000 0.484 233 I N 0.963 121.537 120.570 0.006 0.000 2.127 233 I HA -0.430 3.949 4.170 0.348 0.000 0.241 233 I C 2.224 178.093 176.117 -0.414 0.000 1.075 233 I CA 1.848 62.961 61.300 -0.312 0.000 1.334 233 I CB -0.847 37.133 38.000 -0.035 0.000 1.040 233 I HN 0.071 nan 8.210 nan 0.000 0.405 234 N N 0.979 119.538 118.700 -0.236 0.000 2.104 234 N HA -0.170 4.779 4.740 0.348 0.000 0.190 234 N C 1.564 176.908 175.510 -0.277 0.000 1.024 234 N CA 1.247 54.160 53.050 -0.230 0.000 0.853 234 N CB -0.630 37.781 38.487 -0.126 0.000 1.008 234 N HN 0.355 nan 8.380 nan 0.000 0.424 235 N N 0.437 118.970 118.700 -0.279 0.000 2.188 235 N HA -0.067 4.882 4.740 0.348 0.000 0.184 235 N C 1.841 177.126 175.510 -0.376 0.000 1.018 235 N CA 0.506 53.395 53.050 -0.269 0.000 0.858 235 N CB -0.428 37.929 38.487 -0.217 0.000 0.989 235 N HN 0.049 nan 8.380 nan 0.000 0.426 236 V N 1.563 121.108 119.914 -0.615 0.000 2.307 236 V HA -0.137 4.192 4.120 0.348 0.000 0.245 236 V C 2.243 177.976 176.094 -0.602 0.000 1.045 236 V CA 1.152 63.057 62.300 -0.658 0.000 1.024 236 V CB -0.358 30.859 31.823 -1.009 0.000 0.651 236 V HN 0.208 nan 8.190 nan 0.000 0.449 237 I N 0.496 120.614 120.570 -0.753 0.000 2.286 237 I HA -0.209 4.169 4.170 0.348 0.000 0.248 237 I C 2.588 178.528 176.117 -0.295 0.000 1.115 237 I CA 1.406 62.249 61.300 -0.762 0.000 1.392 237 I CB -0.506 37.001 38.000 -0.822 0.000 1.065 237 I HN 0.282 nan 8.210 nan 0.000 0.418 238 A N 0.379 123.054 122.820 -0.241 0.000 2.015 238 A HA -0.153 4.376 4.320 0.348 0.000 0.219 238 A C 2.298 179.835 177.584 -0.078 0.000 1.163 238 A CA 1.837 53.799 52.037 -0.124 0.000 0.646 238 A CB -0.513 18.417 19.000 -0.116 0.000 0.806 238 A HN 0.510 nan 8.150 nan 0.000 0.448 239 S N -1.007 114.634 115.700 -0.098 0.000 2.556 239 S HA 0.200 4.879 4.470 0.348 0.000 0.216 239 S C 0.461 175.067 174.600 0.010 0.000 0.970 239 S CA -0.592 57.580 58.200 -0.047 0.000 0.912 239 S CB -0.086 63.072 63.200 -0.069 0.000 0.790 239 S HN 0.496 nan 8.310 nan 0.000 0.504 240 N N 0.000 118.741 118.700 0.068 0.000 1.763 240 N HA 0.000 4.949 4.740 0.348 0.000 0.220 240 N CA 0.000 53.170 53.050 0.201 0.000 0.885 240 N CB 0.000 38.718 38.487 0.385 0.000 1.341 240 N HN 0.000 nan 8.380 nan 0.000 0.667