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 1uvp_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 0.000 176.121 176.094 0.046 0.000 1.182 1 V CA 0.000 62.324 62.300 0.041 0.000 1.235 1 V CB 0.000 31.833 31.823 0.017 0.000 1.184 2 V N 3.204 123.149 119.914 0.052 0.000 2.465 2 V HA 0.714 5.051 4.120 0.361 0.000 0.279 2 V C 1.278 177.404 176.094 0.054 0.000 1.045 2 V CA 0.854 63.184 62.300 0.050 0.000 0.938 2 V CB 1.148 33.000 31.823 0.048 0.000 0.986 2 V HN 1.655 nan 8.190 nan 0.000 0.467 3 G N 3.556 112.387 108.800 0.053 0.000 2.221 3 G HA2 -0.132 4.045 3.960 0.361 0.000 0.265 3 G HA3 -0.132 4.045 3.960 0.361 0.000 0.265 3 G C 0.422 175.367 174.900 0.075 0.000 1.041 3 G CA 0.090 45.226 45.100 0.060 0.000 0.807 3 G HN 1.314 nan 8.290 nan 0.000 0.502 4 G N -1.175 107.666 108.800 0.068 0.000 2.557 4 G HA2 0.924 5.100 3.960 0.361 0.000 0.302 4 G HA3 0.924 5.100 3.960 0.361 0.000 0.302 4 G C 0.164 175.109 174.900 0.075 0.000 1.311 4 G CA 0.471 45.619 45.100 0.080 0.000 1.030 4 G HN 1.352 nan 8.290 nan 0.000 0.509 5 T N -2.597 112.006 114.554 0.082 0.000 2.906 5 T HA 0.539 5.106 4.350 0.361 0.000 0.295 5 T C -0.489 174.245 174.700 0.057 0.000 1.075 5 T CA -0.746 61.396 62.100 0.071 0.000 1.005 5 T CB 2.270 71.189 68.868 0.084 0.000 1.136 5 T HN 0.564 nan 8.240 nan 0.000 0.498 6 E N 0.928 121.161 120.200 0.055 0.000 2.366 6 E HA 0.435 5.001 4.350 0.361 0.000 0.266 6 E C 0.253 176.907 176.600 0.090 0.000 1.015 6 E CA -0.674 55.766 56.400 0.066 0.000 0.906 6 E CB 0.475 30.231 29.700 0.093 0.000 0.979 6 E HN 0.859 nan 8.360 nan 0.000 0.443 7 A N 4.801 127.692 122.820 0.118 0.000 2.462 7 A HA 0.060 4.596 4.320 0.361 0.000 0.243 7 A C 0.080 177.746 177.584 0.135 0.000 1.076 7 A CA -0.192 51.938 52.037 0.153 0.000 0.773 7 A CB 0.391 19.548 19.000 0.262 0.000 1.010 7 A HN 0.771 nan 8.150 nan 0.000 0.493 8 Q N 0.393 120.181 119.800 -0.019 0.000 2.392 8 Q HA 0.105 4.661 4.340 0.361 0.000 0.262 8 Q C 1.079 177.019 176.000 -0.100 0.000 1.003 8 Q CA -0.251 55.499 55.803 -0.089 0.000 0.888 8 Q CB 0.797 29.441 28.738 -0.157 0.000 1.260 8 Q HN 0.796 nan 8.270 nan 0.000 0.435 9 R N 1.608 121.993 120.500 -0.192 0.000 2.159 9 R HA -0.185 4.372 4.340 0.361 0.000 0.237 9 R C 0.717 177.057 176.300 0.068 0.000 1.131 9 R CA 1.860 57.865 56.100 -0.157 0.000 0.982 9 R CB 0.139 30.340 30.300 -0.165 0.000 0.868 9 R HN 0.667 nan 8.270 nan 0.000 0.453 10 N N -1.557 117.112 118.700 -0.053 0.000 2.234 10 N HA 0.058 5.015 4.740 0.361 0.000 0.227 10 N C 0.378 175.721 175.510 -0.279 0.000 1.151 10 N CA -0.125 52.840 53.050 -0.142 0.000 0.865 10 N CB 0.732 39.064 38.487 -0.258 0.000 1.066 10 N HN -0.127 nan 8.380 nan 0.000 0.515 11 S N -0.442 115.011 115.700 -0.412 0.000 2.395 11 S HA 0.057 4.743 4.470 0.361 0.000 0.225 11 S C -0.300 173.678 174.600 -1.038 0.000 1.027 11 S CA 0.598 58.265 58.200 -0.888 0.000 0.965 11 S CB -0.162 62.229 63.200 -1.349 0.000 0.812 11 S HN 0.622 nan 8.310 nan 0.000 0.482 12 W N 1.898 123.080 121.300 -0.197 0.000 1.950 12 W HA 0.380 5.260 4.660 0.367 0.000 0.289 12 W C -2.225 174.271 176.519 -0.039 0.000 0.883 12 W CA -1.642 55.579 57.345 -0.206 0.000 2.031 12 W CB 0.401 29.691 29.460 -0.283 0.000 2.266 12 W HN 0.072 nan 8.180 nan 0.000 0.400 13 P HA -0.157 nan 4.420 nan 0.000 0.230 13 P C 1.365 178.762 177.300 0.161 0.000 1.158 13 P CA 1.459 64.634 63.100 0.125 0.000 0.769 13 P CB 0.251 31.971 31.700 0.034 0.000 0.807 14 S N -2.083 113.737 115.700 0.200 0.000 2.548 14 S HA 0.022 4.708 4.470 0.361 0.000 0.215 14 S C 1.072 175.800 174.600 0.213 0.000 0.976 14 S CA -0.332 57.983 58.200 0.193 0.000 0.908 14 S CB -0.658 62.661 63.200 0.199 0.000 0.781 14 S HN 0.054 nan 8.310 nan 0.000 0.519 15 Q N 1.923 121.877 119.800 0.255 0.000 2.311 15 Q HA 0.495 5.052 4.340 0.361 0.000 0.272 15 Q C -0.390 175.781 176.000 0.285 0.000 1.012 15 Q CA -0.246 55.703 55.803 0.244 0.000 0.891 15 Q CB 0.365 29.222 28.738 0.199 0.000 1.201 15 Q HN 0.610 nan 8.270 nan 0.000 0.391 16 I N -0.415 120.330 120.570 0.292 0.000 3.108 16 I HA 0.697 5.083 4.170 0.361 0.000 0.312 16 I C -0.745 175.605 176.117 0.389 0.000 1.095 16 I CA -0.869 60.600 61.300 0.282 0.000 1.000 16 I CB 2.308 40.395 38.000 0.145 0.000 1.229 16 I HN 0.445 nan 8.210 nan 0.000 0.454 17 S N 2.807 118.628 115.700 0.202 0.000 2.456 17 S HA 0.690 5.377 4.470 0.361 0.000 0.316 17 S C -0.958 173.661 174.600 0.032 0.000 1.089 17 S CA -0.558 57.714 58.200 0.120 0.000 1.101 17 S CB 0.605 63.651 63.200 -0.256 0.000 0.995 17 S HN 0.741 nan 8.310 nan 0.000 0.468 18 L N 5.946 127.165 121.223 -0.008 0.000 2.264 18 L HA 0.569 5.125 4.340 0.361 0.000 0.289 18 L C -0.482 176.408 176.870 0.034 0.000 1.044 18 L CA 0.414 55.258 54.840 0.007 0.000 0.807 18 L CB 1.002 43.045 42.059 -0.026 0.000 1.192 18 L HN 0.757 nan 8.230 nan 0.000 0.425 19 Q N 4.192 124.092 119.800 0.166 0.000 2.433 19 Q HA 0.497 5.053 4.340 0.361 0.000 0.279 19 Q C -1.688 174.582 176.000 0.451 0.000 1.105 19 Q CA -0.804 55.128 55.803 0.214 0.000 0.815 19 Q CB 2.575 31.397 28.738 0.141 0.000 1.403 19 Q HN 0.667 nan 8.270 nan 0.000 0.435 20 Y N -1.942 118.531 120.300 0.288 0.000 2.524 20 Y HA 0.725 5.482 4.550 0.345 0.000 0.344 20 Y C -0.689 175.214 175.900 0.006 0.000 1.012 20 Y CA -1.557 56.598 58.100 0.092 0.000 1.068 20 Y CB 1.083 39.420 38.460 -0.204 0.000 1.249 20 Y HN 0.495 nan 8.280 nan 0.000 0.468 21 R N 1.948 122.292 120.500 -0.260 0.000 2.442 21 R HA 0.500 5.056 4.340 0.361 0.000 0.291 21 R C -1.077 175.017 176.300 -0.343 0.000 1.069 21 R CA 0.297 55.912 56.100 -0.809 0.000 1.022 21 R CB 0.347 30.068 30.300 -0.966 0.000 0.976 21 R HN 0.878 nan 8.270 nan 0.000 0.443 22 S N 2.958 118.421 115.700 -0.396 0.000 2.775 22 S HA 0.619 5.306 4.470 0.361 0.000 0.277 22 S C 0.400 174.882 174.600 -0.197 0.000 1.156 22 S CA -0.310 57.785 58.200 -0.175 0.000 1.081 22 S CB 1.210 64.352 63.200 -0.097 0.000 1.054 22 S HN 1.107 nan 8.310 nan 0.000 0.482 23 G N 3.430 112.135 108.800 -0.159 0.000 2.561 23 G HA2 -0.337 3.839 3.960 0.361 0.000 0.289 23 G HA3 -0.337 3.839 3.960 0.361 0.000 0.289 23 G C 0.813 175.598 174.900 -0.192 0.000 1.169 23 G CA 0.693 45.709 45.100 -0.139 0.000 0.980 23 G HN 2.148 nan 8.290 nan 0.000 0.550 24 S N 0.106 115.711 115.700 -0.158 0.000 2.582 24 S HA 0.607 5.293 4.470 0.361 0.000 0.234 24 S C 0.737 175.230 174.600 -0.179 0.000 0.961 24 S CA 1.036 59.141 58.200 -0.159 0.000 0.953 24 S CB -0.169 62.976 63.200 -0.092 0.000 0.800 24 S HN 2.111 nan 8.310 nan 0.000 0.471 25 S N -0.551 115.005 115.700 -0.239 0.000 2.851 25 S HA 0.842 5.529 4.470 0.361 0.000 0.317 25 S C -1.569 172.804 174.600 -0.378 0.000 1.144 25 S CA -1.045 57.045 58.200 -0.184 0.000 0.862 25 S CB 0.273 63.427 63.200 -0.075 0.000 1.259 25 S HN 0.481 nan 8.310 nan 0.000 0.564 26 W N -0.275 120.935 121.300 -0.150 0.000 2.819 26 W HA 0.773 5.648 4.660 0.359 0.000 0.337 26 W C -0.404 175.957 176.519 -0.264 0.000 1.077 26 W CA -0.560 56.663 57.345 -0.202 0.000 1.226 26 W CB 2.237 31.617 29.460 -0.132 0.000 1.419 26 W HN 0.972 nan 8.180 nan 0.000 0.502 27 A N 1.535 124.212 122.820 -0.237 0.000 2.356 27 A HA 0.501 5.037 4.320 0.361 0.000 0.310 27 A C -1.385 176.097 177.584 -0.171 0.000 1.075 27 A CA -0.811 51.050 52.037 -0.293 0.000 0.746 27 A CB 0.557 19.209 19.000 -0.580 0.000 1.221 27 A HN 0.781 nan 8.150 nan 0.000 0.443 28 H N 1.100 120.114 119.070 -0.094 0.000 2.848 28 H HA 0.361 5.069 4.556 0.254 0.000 0.341 28 H C 0.908 176.305 175.328 0.116 0.000 1.060 28 H CA 1.666 57.705 56.048 -0.016 0.000 1.444 28 H CB 1.135 30.845 29.762 -0.088 0.000 1.446 28 H HN 0.573 nan 8.280 nan 0.000 0.583 29 T N 2.781 117.149 114.554 -0.310 0.000 2.989 29 T HA 0.244 4.810 4.350 0.361 0.000 0.250 29 T C -0.335 174.261 174.700 -0.173 0.000 0.981 29 T CA 0.516 62.616 62.100 0.001 0.000 0.980 29 T CB 0.164 69.231 68.868 0.333 0.000 1.133 29 T HN 0.619 nan 8.240 nan 0.000 0.489 30 c N -0.121 118.220 118.600 -0.431 0.000 3.332 30 c HA 0.816 5.602 4.570 0.361 0.000 0.329 30 c C 0.805 174.872 174.090 -0.038 0.000 1.434 30 c CA -0.873 55.373 56.329 -0.138 0.000 1.314 30 c CB 1.248 43.701 42.510 -0.096 0.000 1.664 30 c HN 0.567 nan 8.230 nan 0.000 0.457 31 G N -0.437 108.450 108.800 0.145 0.000 2.642 31 G HA2 0.813 4.990 3.960 0.361 0.000 0.291 31 G HA3 0.813 4.990 3.960 0.361 0.000 0.291 31 G C -0.343 174.622 174.900 0.109 0.000 1.345 31 G CA 0.146 45.396 45.100 0.250 0.000 1.043 31 G HN 1.438 nan 8.290 nan 0.000 0.528 32 G N -2.476 106.400 108.800 0.127 0.000 2.506 32 G HA2 0.519 4.695 3.960 0.361 0.000 0.292 32 G HA3 0.519 4.695 3.960 0.361 0.000 0.292 32 G C -1.436 173.521 174.900 0.094 0.000 1.425 32 G CA -0.376 44.767 45.100 0.071 0.000 0.788 32 G HN 0.673 nan 8.290 nan 0.000 0.490 33 T N 0.834 115.434 114.554 0.077 0.000 2.809 33 T HA 0.453 5.020 4.350 0.361 0.000 0.284 33 T C -0.408 174.354 174.700 0.102 0.000 0.992 33 T CA -0.336 61.819 62.100 0.093 0.000 0.957 33 T CB 1.551 70.458 68.868 0.064 0.000 0.942 33 T HN 0.565 nan 8.240 nan 0.000 0.439 34 L N 5.666 126.959 121.223 0.115 0.000 2.418 34 L HA 0.382 4.939 4.340 0.361 0.000 0.274 34 L C 0.871 177.808 176.870 0.111 0.000 1.135 34 L CA 0.385 55.292 54.840 0.111 0.000 0.870 34 L CB -0.050 42.072 42.059 0.104 0.000 1.154 34 L HN 0.788 nan 8.230 nan 0.000 0.462 35 I N 0.621 121.265 120.570 0.122 0.000 4.323 35 I HA 0.416 4.802 4.170 0.361 0.000 0.328 35 I C 0.399 176.580 176.117 0.106 0.000 1.310 35 I CA -0.245 61.114 61.300 0.100 0.000 1.186 35 I CB 0.086 38.129 38.000 0.070 0.000 1.130 35 I HN 0.393 nan 8.210 nan 0.000 0.411 36 R N 1.201 121.800 120.500 0.164 0.000 2.836 36 R HA 0.403 4.959 4.340 0.361 0.000 0.269 36 R C 0.201 176.588 176.300 0.145 0.000 1.010 36 R CA -0.605 55.601 56.100 0.175 0.000 0.930 36 R CB 1.158 31.642 30.300 0.307 0.000 1.218 36 R HN 0.087 nan 8.270 nan 0.000 0.473 37 Q N 0.783 120.646 119.800 0.104 0.000 2.234 37 Q HA -0.152 4.405 4.340 0.361 0.000 0.206 37 Q C 0.612 176.631 176.000 0.031 0.000 0.980 37 Q CA 1.683 57.522 55.803 0.060 0.000 0.869 37 Q CB 0.121 28.884 28.738 0.041 0.000 0.912 37 Q HN 0.430 nan 8.270 nan 0.000 0.436 38 N N -1.722 116.993 118.700 0.025 0.000 2.282 38 N HA 0.034 4.991 4.740 0.361 0.000 0.240 38 N C -1.346 174.012 175.510 -0.254 0.000 1.182 38 N CA -0.125 52.849 53.050 -0.127 0.000 0.874 38 N CB 0.013 38.378 38.487 -0.203 0.000 1.126 38 N HN 0.065 nan 8.380 nan 0.000 0.516 39 W N 0.108 121.403 121.300 -0.009 0.000 2.998 39 W HA 0.614 5.485 4.660 0.351 0.000 0.335 39 W C -0.930 175.585 176.519 -0.006 0.000 1.110 39 W CA -0.749 56.587 57.345 -0.016 0.000 1.230 39 W CB 1.988 31.431 29.460 -0.029 0.000 1.405 39 W HN -0.322 nan 8.180 nan 0.000 0.493 40 V N 4.569 124.640 119.914 0.261 0.000 2.604 40 V HA 0.461 4.798 4.120 0.361 0.000 0.305 40 V C -0.240 175.948 176.094 0.156 0.000 1.043 40 V CA -1.179 61.216 62.300 0.158 0.000 0.888 40 V CB 1.895 33.766 31.823 0.081 0.000 0.995 40 V HN 0.602 nan 8.190 nan 0.000 0.429 41 M N 4.192 123.857 119.600 0.109 0.000 2.180 41 M HA 0.633 5.329 4.480 0.361 0.000 0.350 41 M C -0.406 175.912 176.300 0.030 0.000 1.125 41 M CA 0.432 55.781 55.300 0.082 0.000 1.031 41 M CB 1.421 34.065 32.600 0.073 0.000 1.623 41 M HN 0.832 nan 8.290 nan 0.000 0.451 42 T N 2.732 117.279 114.554 -0.011 0.000 2.647 42 T HA 0.808 5.375 4.350 0.361 0.000 0.295 42 T C -1.505 173.098 174.700 -0.161 0.000 1.126 42 T CA -0.434 61.617 62.100 -0.082 0.000 1.040 42 T CB 1.427 70.229 68.868 -0.110 0.000 1.472 42 T HN 0.822 nan 8.240 nan 0.000 0.500 43 A N 0.533 123.198 122.820 -0.259 0.000 2.327 43 A HA 0.719 5.256 4.320 0.361 0.000 0.283 43 A C 1.489 178.767 177.584 -0.509 0.000 1.127 43 A CA 0.238 52.044 52.037 -0.385 0.000 0.810 43 A CB 0.293 19.003 19.000 -0.483 0.000 1.066 43 A HN 1.182 nan 8.150 nan 0.000 0.492 44 A N 1.339 123.768 122.820 -0.652 0.000 1.940 44 A HA -0.187 4.349 4.320 0.361 0.000 0.219 44 A C 1.822 178.962 177.584 -0.741 0.000 1.176 44 A CA 1.902 53.452 52.037 -0.812 0.000 0.631 44 A CB -1.054 17.058 19.000 -1.480 0.000 0.814 44 A HN 1.104 nan 8.150 nan 0.000 0.446 45 H N -1.692 116.944 119.070 -0.724 0.000 2.491 45 H HA -0.089 4.693 4.556 0.376 0.000 0.290 45 H C 1.876 177.166 175.328 -0.063 0.000 1.050 45 H CA 1.436 57.378 56.048 -0.176 0.000 1.309 45 H CB -0.853 28.934 29.762 0.042 0.000 1.392 45 H HN 0.425 nan 8.280 nan 0.000 0.554 46 c N 1.521 119.803 118.600 -0.530 0.000 2.432 46 c HA -0.014 4.772 4.570 0.361 0.000 0.280 46 c C 2.417 176.405 174.090 -0.171 0.000 1.353 46 c CA 0.837 56.975 56.329 -0.317 0.000 1.766 46 c CB -0.630 41.651 42.510 -0.381 0.000 1.924 46 c HN 0.665 nan 8.230 nan 0.000 0.509 47 V N -2.816 116.968 119.914 -0.216 0.000 3.043 47 V HA 0.267 4.604 4.120 0.361 0.000 0.357 47 V C 0.845 176.986 176.094 0.078 0.000 1.372 47 V CA 0.441 62.640 62.300 -0.168 0.000 1.214 47 V CB -0.601 30.999 31.823 -0.373 0.000 1.224 47 V HN 0.212 nan 8.190 nan 0.000 0.507 48 D N 1.652 122.136 120.400 0.140 0.000 2.117 48 D HA -0.019 4.838 4.640 0.361 0.000 0.198 48 D C 1.237 177.648 176.300 0.184 0.000 0.982 48 D CA 0.921 55.046 54.000 0.208 0.000 0.828 48 D CB 0.103 41.064 40.800 0.268 0.000 0.967 48 D HN 0.520 nan 8.370 nan 0.000 0.464 49 R N 1.450 122.062 120.500 0.188 0.000 2.643 49 R HA 0.090 4.646 4.340 0.361 0.000 0.270 49 R C 0.371 176.762 176.300 0.151 0.000 1.061 49 R CA -0.037 56.136 56.100 0.122 0.000 1.107 49 R CB 0.598 30.916 30.300 0.030 0.000 0.999 49 R HN -0.025 nan 8.270 nan 0.000 0.460 50 E N 3.610 123.845 120.200 0.059 0.000 2.346 50 E HA 0.071 4.638 4.350 0.361 0.000 0.317 50 E C -0.139 176.426 176.600 -0.058 0.000 1.404 50 E CA 0.140 56.568 56.400 0.047 0.000 1.534 50 E CB -0.209 29.509 29.700 0.030 0.000 1.309 50 E HN 0.345 nan 8.360 nan 0.000 0.499 51 L N -0.275 120.828 121.223 -0.201 0.000 2.335 51 L HA 0.390 4.946 4.340 0.361 0.000 0.268 51 L C 0.738 177.318 176.870 -0.484 0.000 1.016 51 L CA -0.910 53.665 54.840 -0.442 0.000 0.805 51 L CB 1.107 42.694 42.059 -0.787 0.000 1.311 51 L HN -0.123 nan 8.230 nan 0.000 0.456 52 T N 1.256 115.603 114.554 -0.346 0.000 2.737 52 T HA 0.423 4.990 4.350 0.361 0.000 0.296 52 T C -0.596 174.051 174.700 -0.087 0.000 0.922 52 T CA 0.060 62.077 62.100 -0.139 0.000 1.079 52 T CB -0.290 68.540 68.868 -0.064 0.000 0.892 52 T HN 0.087 nan 8.240 nan 0.000 0.514 53 F N 3.104 123.208 119.950 0.257 0.000 2.458 53 F HA 0.652 5.391 4.527 0.353 0.000 0.330 53 F C 0.827 176.772 175.800 0.241 0.000 1.082 53 F CA -1.188 56.981 58.000 0.282 0.000 0.995 53 F CB 1.501 40.591 39.000 0.149 0.000 1.170 53 F HN 0.433 nan 8.300 nan 0.000 0.478 54 R N 0.276 120.971 120.500 0.326 0.000 2.837 54 R HA 0.909 5.465 4.340 0.361 0.000 0.271 54 R C -2.298 173.994 176.300 -0.012 0.000 0.993 54 R CA -0.977 55.109 56.100 -0.023 0.000 0.931 54 R CB 1.714 31.678 30.300 -0.561 0.000 1.206 54 R HN 0.419 nan 8.270 nan 0.000 0.474 55 V N 1.804 121.682 119.914 -0.059 0.000 2.513 55 V HA 0.450 4.786 4.120 0.361 0.000 0.299 55 V C -0.675 175.358 176.094 -0.101 0.000 1.035 55 V CA -0.752 61.519 62.300 -0.047 0.000 0.889 55 V CB 2.044 33.852 31.823 -0.026 0.000 0.988 55 V HN 0.578 nan 8.190 nan 0.000 0.440 56 V N 5.483 125.330 119.914 -0.111 0.000 2.409 56 V HA 0.548 4.884 4.120 0.361 0.000 0.291 56 V C -0.111 175.906 176.094 -0.127 0.000 1.020 56 V CA -0.620 61.550 62.300 -0.217 0.000 0.848 56 V CB 1.683 33.340 31.823 -0.276 0.000 0.990 56 V HN 0.731 nan 8.190 nan 0.000 0.430 57 V N 1.624 121.455 119.914 -0.139 0.000 2.850 57 V HA 0.989 5.326 4.120 0.361 0.000 0.315 57 V C 0.991 177.058 176.094 -0.045 0.000 1.064 57 V CA 0.084 62.367 62.300 -0.028 0.000 0.979 57 V CB 1.165 32.988 31.823 -0.000 0.000 1.039 57 V HN 1.574 nan 8.190 nan 0.000 0.452 58 G N 1.260 110.099 108.800 0.065 0.000 2.225 58 G HA2 -0.256 3.920 3.960 0.361 0.000 0.267 58 G HA3 -0.256 3.920 3.960 0.361 0.000 0.267 58 G C -0.044 174.875 174.900 0.032 0.000 1.024 58 G CA 0.737 45.882 45.100 0.074 0.000 0.784 58 G HN 1.455 nan 8.290 nan 0.000 0.507 59 E N -0.993 119.273 120.200 0.110 0.000 2.249 59 E HA 0.654 5.220 4.350 0.361 0.000 0.280 59 E C 0.749 177.602 176.600 0.421 0.000 1.016 59 E CA -0.684 55.790 56.400 0.124 0.000 0.830 59 E CB 0.859 30.527 29.700 -0.053 0.000 1.081 59 E HN 0.422 nan 8.360 nan 0.000 0.395 60 H N 2.843 122.063 119.070 0.250 0.000 2.176 60 H HA 0.340 5.115 4.556 0.366 0.000 0.228 60 H C -0.529 175.049 175.328 0.416 0.000 0.879 60 H CA 0.030 56.281 56.048 0.338 0.000 1.027 60 H CB 0.534 30.384 29.762 0.147 0.000 1.356 60 H HN 0.395 nan 8.280 nan 0.000 0.425 61 N N 1.119 119.922 118.700 0.171 0.000 2.443 61 N HA 0.113 5.069 4.740 0.361 0.000 0.269 61 N C 0.407 175.912 175.510 -0.008 0.000 0.985 61 N CA -0.145 52.953 53.050 0.080 0.000 0.921 61 N CB 1.300 39.849 38.487 0.104 0.000 1.195 61 N HN 0.392 nan 8.380 nan 0.000 0.492 62 L N 2.857 124.009 121.223 -0.118 0.000 2.275 62 L HA -0.037 4.519 4.340 0.361 0.000 0.215 62 L C 0.568 177.389 176.870 -0.082 0.000 1.119 62 L CA 0.964 55.674 54.840 -0.218 0.000 0.790 62 L CB -0.086 41.768 42.059 -0.341 0.000 0.919 62 L HN 0.492 nan 8.230 nan 0.000 0.443 63 N N -1.196 117.485 118.700 -0.031 0.000 2.203 63 N HA 0.114 5.071 4.740 0.361 0.000 0.207 63 N C -0.437 175.081 175.510 0.012 0.000 1.130 63 N CA 0.022 53.069 53.050 -0.005 0.000 0.861 63 N CB 0.622 39.111 38.487 0.004 0.000 1.005 63 N HN 0.291 nan 8.380 nan 0.000 0.507 64 Q N -0.197 119.616 119.800 0.021 0.000 2.416 64 Q HA 0.280 4.836 4.340 0.361 0.000 0.281 64 Q C -1.383 174.638 176.000 0.036 0.000 1.067 64 Q CA -0.979 54.842 55.803 0.031 0.000 0.809 64 Q CB 1.687 30.451 28.738 0.043 0.000 1.418 64 Q HN 0.021 nan 8.270 nan 0.000 0.411 65 N N 1.312 120.031 118.700 0.032 0.000 2.431 65 N HA -0.018 4.939 4.740 0.361 0.000 0.265 65 N C -0.354 175.167 175.510 0.018 0.000 1.184 65 N CA 0.669 53.739 53.050 0.032 0.000 0.943 65 N CB 0.632 39.134 38.487 0.025 0.000 1.080 65 N HN 0.524 nan 8.380 nan 0.000 0.477 66 D N 2.722 123.126 120.400 0.006 0.000 2.327 66 D HA 0.105 4.961 4.640 0.361 0.000 0.205 66 D C 0.991 177.239 176.300 -0.085 0.000 0.989 66 D CA 0.852 54.834 54.000 -0.030 0.000 0.873 66 D CB 0.113 40.895 40.800 -0.029 0.000 0.955 66 D HN 0.804 nan 8.370 nan 0.000 0.515 67 G N 1.177 109.940 108.800 -0.062 0.000 2.159 67 G HA2 -0.297 3.879 3.960 0.361 0.000 0.256 67 G HA3 -0.297 3.879 3.960 0.361 0.000 0.256 67 G C 1.030 175.859 174.900 -0.118 0.000 0.977 67 G CA 1.168 46.226 45.100 -0.070 0.000 0.652 67 G HN 0.424 nan 8.290 nan 0.000 0.531 68 T N -2.544 111.906 114.554 -0.175 0.000 3.087 68 T HA 0.463 5.030 4.350 0.361 0.000 0.283 68 T C 0.383 174.990 174.700 -0.154 0.000 0.956 68 T CA 0.541 62.510 62.100 -0.219 0.000 0.894 68 T CB 0.860 69.400 68.868 -0.547 0.000 1.160 68 T HN 0.320 nan 8.240 nan 0.000 0.532 69 E N 2.069 122.168 120.200 -0.169 0.000 2.383 69 E HA 0.447 5.014 4.350 0.361 0.000 0.264 69 E C -0.301 176.088 176.600 -0.353 0.000 1.050 69 E CA 0.101 56.308 56.400 -0.320 0.000 0.896 69 E CB 0.485 29.882 29.700 -0.504 0.000 0.982 69 E HN 0.459 nan 8.360 nan 0.000 0.424 70 Q N 1.620 121.160 119.800 -0.434 0.000 2.321 70 Q HA 0.364 4.920 4.340 0.361 0.000 0.270 70 Q C -1.334 174.395 176.000 -0.452 0.000 1.032 70 Q CA -0.626 55.000 55.803 -0.296 0.000 0.784 70 Q CB 1.466 30.130 28.738 -0.125 0.000 1.264 70 Q HN 0.503 nan 8.270 nan 0.000 0.448 71 Y N 0.785 121.022 120.300 -0.105 0.000 2.331 71 Y HA 0.588 5.354 4.550 0.360 0.000 0.338 71 Y C -0.208 175.601 175.900 -0.150 0.000 0.992 71 Y CA -0.895 57.103 58.100 -0.169 0.000 1.121 71 Y CB 1.674 39.997 38.460 -0.229 0.000 1.184 71 Y HN 0.347 nan 8.280 nan 0.000 0.469 72 V N 2.921 122.812 119.914 -0.038 0.000 2.760 72 V HA 0.823 5.159 4.120 0.361 0.000 0.309 72 V C -0.003 176.056 176.094 -0.058 0.000 1.077 72 V CA -0.583 61.691 62.300 -0.044 0.000 0.910 72 V CB 1.810 33.605 31.823 -0.047 0.000 1.008 72 V HN 0.897 nan 8.190 nan 0.000 0.424 73 G N 3.946 112.726 108.800 -0.032 0.000 2.569 73 G HA2 0.466 4.643 3.960 0.361 0.000 0.249 73 G HA3 0.466 4.643 3.960 0.361 0.000 0.249 73 G C -0.552 174.351 174.900 0.004 0.000 1.216 73 G CA -0.330 44.773 45.100 0.004 0.000 0.845 73 G HN 0.914 nan 8.290 nan 0.000 0.568 74 V N 1.278 121.223 119.914 0.052 0.000 2.364 74 V HA 0.158 4.495 4.120 0.361 0.000 0.272 74 V C 1.125 177.232 176.094 0.021 0.000 1.036 74 V CA -0.111 62.207 62.300 0.030 0.000 0.880 74 V CB 1.112 32.989 31.823 0.090 0.000 0.991 74 V HN 1.002 nan 8.190 nan 0.000 0.460 75 Q N 4.497 124.268 119.800 -0.048 0.000 2.297 75 Q HA 0.161 4.718 4.340 0.361 0.000 0.203 75 Q C 0.755 176.729 176.000 -0.042 0.000 0.931 75 Q CA 0.805 56.579 55.803 -0.049 0.000 0.885 75 Q CB 0.541 29.221 28.738 -0.097 0.000 0.991 75 Q HN 0.676 nan 8.270 nan 0.000 0.498 76 K N 0.185 120.540 120.400 -0.076 0.000 2.527 76 K HA 0.460 4.997 4.320 0.361 0.000 0.260 76 K C -1.779 174.825 176.600 0.008 0.000 0.937 76 K CA -0.561 55.711 56.287 -0.026 0.000 0.826 76 K CB 1.679 34.156 32.500 -0.038 0.000 1.359 76 K HN 0.072 nan 8.250 nan 0.000 0.434 77 I N 3.646 124.251 120.570 0.059 0.000 2.418 77 I HA 0.286 4.672 4.170 0.361 0.000 0.287 77 I C -0.950 175.240 176.117 0.122 0.000 1.008 77 I CA -1.089 60.256 61.300 0.075 0.000 1.104 77 I CB 2.045 40.072 38.000 0.045 0.000 1.264 77 I HN 0.213 nan 8.210 nan 0.000 0.438 78 V N 7.424 127.444 119.914 0.177 0.000 2.326 78 V HA 0.326 4.662 4.120 0.361 0.000 0.281 78 V C 0.133 176.396 176.094 0.282 0.000 1.015 78 V CA -0.639 61.784 62.300 0.206 0.000 0.823 78 V CB 1.555 33.485 31.823 0.179 0.000 1.009 78 V HN 0.385 nan 8.190 nan 0.000 0.436 79 V N 3.894 123.950 119.914 0.237 0.000 2.644 79 V HA 0.290 4.626 4.120 0.361 0.000 0.295 79 V C 0.574 176.836 176.094 0.280 0.000 1.053 79 V CA -0.729 61.696 62.300 0.208 0.000 0.987 79 V CB 1.389 33.303 31.823 0.150 0.000 1.006 79 V HN 0.813 nan 8.190 nan 0.000 0.472 80 H N 6.661 125.735 119.070 0.006 0.000 3.034 80 H HA 0.046 4.817 4.556 0.359 0.000 0.324 80 H C -1.687 173.667 175.328 0.043 0.000 1.015 80 H CA -1.133 54.788 56.048 -0.213 0.000 1.429 80 H CB 1.685 31.087 29.762 -0.599 0.000 1.429 80 H HN 0.372 nan 8.280 nan 0.000 0.585 81 P HA -0.145 nan 4.420 nan 0.000 0.222 81 P C 0.681 178.114 177.300 0.222 0.000 1.147 81 P CA 1.083 64.204 63.100 0.036 0.000 0.790 81 P CB 0.070 31.702 31.700 -0.114 0.000 0.780 82 Y N -2.376 118.013 120.300 0.148 0.000 2.466 82 Y HA 0.103 4.869 4.550 0.359 0.000 0.272 82 Y C 1.129 176.993 175.900 -0.060 0.000 1.169 82 Y CA -1.568 56.414 58.100 -0.197 0.000 1.285 82 Y CB -0.853 37.047 38.460 -0.933 0.000 1.078 82 Y HN 0.069 nan 8.280 nan 0.000 0.523 83 W N 2.894 124.279 121.300 0.142 0.000 2.257 83 W HA 0.011 4.899 4.660 0.380 0.000 0.337 83 W C -0.436 176.131 176.519 0.081 0.000 1.321 83 W CA 0.515 57.937 57.345 0.128 0.000 1.267 83 W CB 0.544 30.068 29.460 0.107 0.000 1.187 83 W HN 0.058 nan 8.180 nan 0.000 0.565 84 N N 3.957 122.068 118.700 -0.983 0.000 2.519 84 N HA 0.044 5.001 4.740 0.361 0.000 0.286 84 N C 0.459 175.143 175.510 -1.376 0.000 1.079 84 N CA -0.197 52.319 53.050 -0.890 0.000 0.878 84 N CB 1.603 39.814 38.487 -0.460 0.000 1.375 84 N HN 0.458 nan 8.380 nan 0.000 0.514 85 T N 1.244 115.182 114.554 -1.027 0.000 2.929 85 T HA -0.077 4.490 4.350 0.361 0.000 0.271 85 T C 0.437 174.937 174.700 -0.335 0.000 1.085 85 T CA 1.377 63.150 62.100 -0.544 0.000 1.125 85 T CB 0.004 68.853 68.868 -0.030 0.000 0.874 85 T HN 0.447 nan 8.240 nan 0.000 0.494 86 D N 0.776 120.985 120.400 -0.319 0.000 2.363 86 D HA 0.070 4.926 4.640 0.361 0.000 0.220 86 D C 0.372 176.532 176.300 -0.233 0.000 0.994 86 D CA 0.570 54.444 54.000 -0.211 0.000 0.890 86 D CB 0.095 40.794 40.800 -0.168 0.000 0.906 86 D HN 0.375 nan 8.370 nan 0.000 0.530 87 D N 0.182 120.376 120.400 -0.344 0.000 2.517 87 D HA 0.010 4.867 4.640 0.361 0.000 0.263 87 D C 0.892 177.016 176.300 -0.293 0.000 1.233 87 D CA -0.350 53.484 54.000 -0.276 0.000 0.849 87 D CB 0.615 41.279 40.800 -0.225 0.000 1.261 87 D HN -0.249 nan 8.370 nan 0.000 0.516 88 V N 2.521 122.295 119.914 -0.234 0.000 2.490 88 V HA -0.139 4.198 4.120 0.361 0.000 0.250 88 V C 2.066 178.087 176.094 -0.122 0.000 1.061 88 V CA 2.482 64.746 62.300 -0.060 0.000 1.064 88 V CB -0.216 31.563 31.823 -0.073 0.000 0.670 88 V HN 0.534 nan 8.190 nan 0.000 0.461 89 A N -0.502 122.158 122.820 -0.266 0.000 2.121 89 A HA 0.098 4.634 4.320 0.361 0.000 0.218 89 A C 2.316 179.866 177.584 -0.058 0.000 1.154 89 A CA 1.552 53.461 52.037 -0.213 0.000 0.679 89 A CB -0.618 18.256 19.000 -0.209 0.000 0.795 89 A HN 0.778 nan 8.150 nan 0.000 0.458 90 A N -1.337 121.458 122.820 -0.042 0.000 2.066 90 A HA 0.421 4.957 4.320 0.361 0.000 0.218 90 A C 1.667 179.247 177.584 -0.006 0.000 1.157 90 A CA 1.671 53.712 52.037 0.006 0.000 0.670 90 A CB -0.813 18.207 19.000 0.033 0.000 0.804 90 A HN 2.035 nan 8.150 nan 0.000 0.453 91 G N -2.682 106.150 108.800 0.052 0.000 2.472 91 G HA2 -0.005 4.171 3.960 0.361 0.000 0.205 91 G HA3 -0.005 4.171 3.960 0.361 0.000 0.205 91 G C 0.154 175.129 174.900 0.125 0.000 1.270 91 G CA -0.015 45.062 45.100 -0.038 0.000 0.974 91 G HN 1.077 nan 8.290 nan 0.000 0.542 92 Y N -1.209 119.152 120.300 0.102 0.000 4.409 92 Y HA -0.158 4.607 4.550 0.359 0.000 0.228 92 Y C 0.862 176.703 175.900 -0.098 0.000 1.108 92 Y CA 1.030 59.065 58.100 -0.108 0.000 1.955 92 Y CB -1.753 36.688 38.460 -0.032 0.000 1.615 92 Y HN 0.731 nan 8.280 nan 0.000 0.665 93 D N 1.643 122.013 120.400 -0.049 0.000 2.551 93 D HA 0.461 5.318 4.640 0.361 0.000 0.223 93 D C -0.050 175.982 176.300 -0.448 0.000 1.144 93 D CA 0.400 54.177 54.000 -0.372 0.000 1.025 93 D CB -0.342 40.370 40.800 -0.146 0.000 1.085 93 D HN 0.470 nan 8.370 nan 0.000 0.506 94 I N 0.771 121.034 120.570 -0.512 0.000 2.841 94 I HA 0.650 5.037 4.170 0.361 0.000 0.298 94 I C -1.892 174.060 176.117 -0.275 0.000 1.304 94 I CA -0.607 60.440 61.300 -0.422 0.000 1.019 94 I CB 1.776 39.415 38.000 -0.602 0.000 1.282 94 I HN 0.237 nan 8.210 nan 0.000 0.432 95 A N 7.011 129.790 122.820 -0.068 0.000 2.594 95 A HA 0.791 5.328 4.320 0.361 0.000 0.295 95 A C -2.136 175.569 177.584 0.202 0.000 1.071 95 A CA -0.545 51.565 52.037 0.122 0.000 0.685 95 A CB 1.779 20.757 19.000 -0.038 0.000 1.285 95 A HN 0.599 nan 8.150 nan 0.000 0.405 96 L N 1.519 122.908 121.223 0.277 0.000 2.346 96 L HA 0.581 5.137 4.340 0.361 0.000 0.276 96 L C -1.012 176.044 176.870 0.310 0.000 1.006 96 L CA -0.588 54.408 54.840 0.259 0.000 0.817 96 L CB 1.693 43.828 42.059 0.126 0.000 1.272 96 L HN 0.605 nan 8.230 nan 0.000 0.421 97 L N 3.454 124.845 121.223 0.279 0.000 2.305 97 L HA 0.532 5.088 4.340 0.361 0.000 0.284 97 L C -0.056 176.763 176.870 -0.086 0.000 1.013 97 L CA -0.508 54.390 54.840 0.097 0.000 0.819 97 L CB 1.707 43.767 42.059 0.002 0.000 1.227 97 L HN 0.568 nan 8.230 nan 0.000 0.417 98 R N 3.592 123.810 120.500 -0.469 0.000 2.265 98 R HA 0.505 5.061 4.340 0.361 0.000 0.314 98 R C -0.685 175.317 176.300 -0.496 0.000 1.053 98 R CA -0.479 54.990 56.100 -1.051 0.000 0.931 98 R CB 0.667 30.209 30.300 -1.262 0.000 1.024 98 R HN 0.584 nan 8.270 nan 0.000 0.457 99 L N 3.726 124.696 121.223 -0.422 0.000 2.418 99 L HA 0.245 4.802 4.340 0.361 0.000 0.265 99 L C 1.498 178.252 176.870 -0.193 0.000 1.143 99 L CA -0.311 54.396 54.840 -0.221 0.000 0.809 99 L CB 1.227 43.193 42.059 -0.155 0.000 1.124 99 L HN 0.827 nan 8.230 nan 0.000 0.456 100 A N 1.860 124.611 122.820 -0.115 0.000 1.969 100 A HA -0.065 4.471 4.320 0.361 0.000 0.218 100 A C 0.764 178.301 177.584 -0.077 0.000 1.169 100 A CA 1.225 53.212 52.037 -0.084 0.000 0.635 100 A CB -0.113 18.862 19.000 -0.042 0.000 0.810 100 A HN 0.782 nan 8.150 nan 0.000 0.445 101 Q N -1.367 118.390 119.800 -0.073 0.000 2.451 101 Q HA 0.569 5.126 4.340 0.361 0.000 0.281 101 Q C -0.898 175.065 176.000 -0.061 0.000 1.099 101 Q CA -0.337 55.433 55.803 -0.056 0.000 0.806 101 Q CB 2.052 30.770 28.738 -0.033 0.000 1.419 101 Q HN 0.159 nan 8.270 nan 0.000 0.427 102 S N 0.662 116.336 115.700 -0.044 0.000 2.499 102 S HA 0.415 5.102 4.470 0.361 0.000 0.275 102 S C -0.027 174.563 174.600 -0.017 0.000 1.257 102 S CA -0.752 57.429 58.200 -0.030 0.000 1.050 102 S CB 0.337 63.528 63.200 -0.014 0.000 0.937 102 S HN 0.455 nan 8.310 nan 0.000 0.490 103 V N 2.246 122.153 119.914 -0.011 0.000 3.083 103 V HA 0.560 4.897 4.120 0.361 0.000 0.306 103 V C 0.294 176.392 176.094 0.007 0.000 1.077 103 V CA -0.533 61.764 62.300 -0.005 0.000 1.073 103 V CB 0.724 32.544 31.823 -0.005 0.000 1.081 103 V HN 0.680 nan 8.190 nan 0.000 0.474 104 T N 4.479 119.039 114.554 0.009 0.000 2.767 104 T HA 0.569 5.135 4.350 0.361 0.000 0.288 104 T C -0.090 174.624 174.700 0.025 0.000 0.963 104 T CA -0.273 61.837 62.100 0.016 0.000 1.019 104 T CB 0.736 69.613 68.868 0.015 0.000 0.923 104 T HN 0.602 nan 8.240 nan 0.000 0.468 105 L N 4.559 125.796 121.223 0.023 0.000 2.371 105 L HA 0.519 5.076 4.340 0.361 0.000 0.272 105 L C 0.519 177.400 176.870 0.018 0.000 1.124 105 L CA -0.531 54.324 54.840 0.024 0.000 0.816 105 L CB 0.415 42.485 42.059 0.019 0.000 1.129 105 L HN 0.810 nan 8.230 nan 0.000 0.448 106 N N -1.232 117.475 118.700 0.012 0.000 3.449 106 N HA 0.087 5.044 4.740 0.361 0.000 0.312 106 N C 0.199 175.649 175.510 -0.099 0.000 1.557 106 N CA -0.199 52.841 53.050 -0.018 0.000 0.864 106 N CB 0.361 38.871 38.487 0.037 0.000 1.799 106 N HN 0.315 nan 8.380 nan 0.000 0.554 107 S N -1.919 113.629 115.700 -0.253 0.000 2.474 107 S HA -0.081 4.606 4.470 0.361 0.000 0.235 107 S C 0.568 174.848 174.600 -0.533 0.000 0.997 107 S CA 0.724 58.660 58.200 -0.440 0.000 0.949 107 S CB -0.771 62.076 63.200 -0.587 0.000 0.766 107 S HN 0.541 nan 8.310 nan 0.000 0.517 108 Y N 0.891 121.182 120.300 -0.014 0.000 2.478 108 Y HA 0.495 5.258 4.550 0.356 0.000 0.261 108 Y C 0.354 176.269 175.900 0.026 0.000 1.127 108 Y CA -0.554 57.548 58.100 0.003 0.000 1.288 108 Y CB 0.453 38.917 38.460 0.006 0.000 1.084 108 Y HN 0.110 nan 8.280 nan 0.000 0.530 109 V N 2.013 121.995 119.914 0.115 0.000 2.419 109 V HA 0.415 4.751 4.120 0.361 0.000 0.287 109 V C -0.663 175.465 176.094 0.056 0.000 1.017 109 V CA -0.768 61.588 62.300 0.094 0.000 0.844 109 V CB 1.290 33.163 31.823 0.083 0.000 1.011 109 V HN -0.008 nan 8.190 nan 0.000 0.429 110 Q N 3.131 122.969 119.800 0.064 0.000 2.501 110 Q HA 0.628 5.185 4.340 0.361 0.000 0.288 110 Q C -0.956 175.090 176.000 0.076 0.000 1.051 110 Q CA -0.795 55.039 55.803 0.053 0.000 0.788 110 Q CB 3.301 32.059 28.738 0.034 0.000 1.469 110 Q HN 0.589 nan 8.270 nan 0.000 0.416 111 L N 0.627 121.891 121.223 0.069 0.000 2.397 111 L HA 0.443 5.000 4.340 0.361 0.000 0.271 111 L C 1.003 177.931 176.870 0.096 0.000 1.148 111 L CA -0.482 54.406 54.840 0.081 0.000 0.825 111 L CB 0.381 42.480 42.059 0.067 0.000 1.117 111 L HN 0.644 nan 8.230 nan 0.000 0.456 112 G N 1.855 110.721 108.800 0.110 0.000 2.432 112 G HA2 0.399 4.576 3.960 0.361 0.000 0.257 112 G HA3 0.399 4.576 3.960 0.361 0.000 0.257 112 G C -0.305 174.658 174.900 0.106 0.000 1.238 112 G CA -0.444 44.737 45.100 0.134 0.000 0.838 112 G HN 0.332 nan 8.290 nan 0.000 0.547 113 V N 3.282 123.271 119.914 0.125 0.000 2.488 113 V HA 0.209 4.546 4.120 0.361 0.000 0.277 113 V C 0.601 176.734 176.094 0.065 0.000 1.046 113 V CA -0.107 62.249 62.300 0.093 0.000 0.986 113 V CB 0.691 32.585 31.823 0.118 0.000 0.989 113 V HN 0.452 nan 8.190 nan 0.000 0.475 114 L N 7.133 128.369 121.223 0.022 0.000 2.344 114 L HA 0.562 5.118 4.340 0.361 0.000 0.272 114 L C -2.060 174.764 176.870 -0.077 0.000 1.035 114 L CA -1.882 52.941 54.840 -0.029 0.000 0.807 114 L CB 1.859 43.907 42.059 -0.019 0.000 1.237 114 L HN 0.435 nan 8.230 nan 0.000 0.442 115 P HA 0.231 nan 4.420 nan 0.000 0.274 115 P C -0.937 176.296 177.300 -0.111 0.000 1.237 115 P CA -0.663 62.298 63.100 -0.232 0.000 0.793 115 P CB 0.561 31.912 31.700 -0.582 0.000 0.977 116 R N 0.475 120.938 120.500 -0.062 0.000 2.694 116 R HA 0.417 4.974 4.340 0.361 0.000 0.268 116 R C 0.422 176.700 176.300 -0.038 0.000 1.061 116 R CA -0.116 55.964 56.100 -0.034 0.000 1.133 116 R CB -0.613 29.679 30.300 -0.014 0.000 1.020 116 R HN 0.559 nan 8.270 nan 0.000 0.475 117 A N 1.366 124.170 122.820 -0.026 0.000 2.565 117 A HA 0.375 4.912 4.320 0.361 0.000 0.237 117 A C 1.414 178.982 177.584 -0.027 0.000 1.053 117 A CA 0.728 52.749 52.037 -0.026 0.000 0.755 117 A CB -0.750 18.239 19.000 -0.018 0.000 0.980 117 A HN 0.940 nan 8.150 nan 0.000 0.506 118 G N 1.983 110.762 108.800 -0.036 0.000 2.179 118 G HA2 -0.231 3.946 3.960 0.361 0.000 0.260 118 G HA3 -0.231 3.946 3.960 0.361 0.000 0.260 118 G C 0.501 175.391 174.900 -0.017 0.000 0.977 118 G CA 0.584 45.664 45.100 -0.035 0.000 0.641 118 G HN 1.256 nan 8.290 nan 0.000 0.533 119 T N 2.300 116.852 114.554 -0.004 0.000 2.902 119 T HA 0.477 5.044 4.350 0.361 0.000 0.301 119 T C 0.414 175.148 174.700 0.058 0.000 1.012 119 T CA 0.398 62.518 62.100 0.033 0.000 1.151 119 T CB 1.032 69.939 68.868 0.064 0.000 0.946 119 T HN 0.255 nan 8.240 nan 0.000 0.542 120 I N 4.026 124.624 120.570 0.046 0.000 2.465 120 I HA 0.359 4.746 4.170 0.361 0.000 0.291 120 I C 0.141 176.273 176.117 0.025 0.000 1.014 120 I CA -0.915 60.407 61.300 0.037 0.000 1.093 120 I CB 1.528 39.532 38.000 0.007 0.000 1.267 120 I HN 0.500 nan 8.210 nan 0.000 0.431 121 L N 4.468 125.691 121.223 -0.000 0.000 2.371 121 L HA 0.487 5.043 4.340 0.361 0.000 0.272 121 L C 0.971 177.816 176.870 -0.042 0.000 1.124 121 L CA -0.417 54.389 54.840 -0.057 0.000 0.816 121 L CB 0.899 42.870 42.059 -0.146 0.000 1.129 121 L HN 0.716 nan 8.230 nan 0.000 0.448 122 A N 2.543 125.337 122.820 -0.044 0.000 2.425 122 A HA 0.085 4.622 4.320 0.361 0.000 0.242 122 A C 0.176 177.736 177.584 -0.041 0.000 1.077 122 A CA -0.312 51.706 52.037 -0.032 0.000 0.781 122 A CB -0.033 18.950 19.000 -0.028 0.000 1.020 122 A HN 0.807 nan 8.150 nan 0.000 0.494 123 N N 0.591 119.271 118.700 -0.033 0.000 2.353 123 N HA -0.057 4.900 4.740 0.361 0.000 0.248 123 N C 0.507 175.991 175.510 -0.042 0.000 1.240 123 N CA 1.512 54.538 53.050 -0.040 0.000 0.862 123 N CB -0.046 38.418 38.487 -0.038 0.000 1.086 123 N HN 0.757 nan 8.380 nan 0.000 0.453 124 N N 0.143 118.812 118.700 -0.051 0.000 2.776 124 N HA -0.208 4.749 4.740 0.361 0.000 0.250 124 N C -1.394 174.080 175.510 -0.059 0.000 1.112 124 N CA 0.933 53.954 53.050 -0.048 0.000 0.733 124 N CB -1.311 37.166 38.487 -0.018 0.000 1.097 124 N HN 0.437 nan 8.380 nan 0.000 0.558 125 S N 1.089 116.736 115.700 -0.089 0.000 2.565 125 S HA 0.350 5.036 4.470 0.361 0.000 0.276 125 S C -2.259 172.259 174.600 -0.138 0.000 1.326 125 S CA -0.728 57.413 58.200 -0.100 0.000 1.045 125 S CB 1.206 64.325 63.200 -0.135 0.000 0.918 125 S HN 0.176 nan 8.310 nan 0.000 0.505 126 P HA 0.320 nan 4.420 nan 0.000 0.276 126 P C -0.986 176.249 177.300 -0.110 0.000 1.243 126 P CA -0.204 62.859 63.100 -0.062 0.000 0.768 126 P CB 0.030 31.842 31.700 0.186 0.000 0.856 127 c N 3.618 122.019 118.600 -0.331 0.000 3.173 127 c HA 0.538 5.324 4.570 0.361 0.000 0.310 127 c C -0.926 172.962 174.090 -0.336 0.000 1.306 127 c CA -0.493 55.726 56.329 -0.183 0.000 1.426 127 c CB 1.421 43.778 42.510 -0.255 0.000 1.800 127 c HN 0.499 nan 8.230 nan 0.000 0.470 128 Y N 1.062 121.364 120.300 0.002 0.000 2.350 128 Y HA 0.637 5.401 4.550 0.357 0.000 0.338 128 Y C 0.155 175.941 175.900 -0.191 0.000 0.961 128 Y CA -0.472 57.588 58.100 -0.068 0.000 1.100 128 Y CB 1.278 39.661 38.460 -0.128 0.000 1.179 128 Y HN 0.662 nan 8.280 nan 0.000 0.454 129 I N 3.814 124.385 120.570 0.001 0.000 2.499 129 I HA 0.520 4.906 4.170 0.361 0.000 0.296 129 I C -0.404 175.655 176.117 -0.097 0.000 0.992 129 I CA -0.090 61.190 61.300 -0.034 0.000 1.297 129 I CB 0.944 39.012 38.000 0.113 0.000 1.410 129 I HN 0.777 nan 8.210 nan 0.000 0.507 130 T N 2.740 117.193 114.554 -0.170 0.000 2.900 130 T HA 0.919 5.485 4.350 0.361 0.000 0.295 130 T C -0.400 174.181 174.700 -0.197 0.000 1.044 130 T CA -0.538 61.403 62.100 -0.266 0.000 0.995 130 T CB 1.841 70.420 68.868 -0.481 0.000 1.072 130 T HN 1.079 nan 8.240 nan 0.000 0.473 131 G N -0.092 108.530 108.800 -0.296 0.000 2.316 131 G HA2 0.367 4.544 3.960 0.361 0.000 0.296 131 G HA3 0.367 4.544 3.960 0.361 0.000 0.296 131 G C -1.090 173.615 174.900 -0.325 0.000 1.399 131 G CA -0.864 44.094 45.100 -0.237 0.000 0.833 131 G HN 0.675 nan 8.290 nan 0.000 0.565 132 W N 1.073 122.324 121.300 -0.081 0.000 3.239 132 W HA 0.352 5.096 4.660 0.141 0.000 0.368 132 W C 1.264 177.704 176.519 -0.132 0.000 1.154 132 W CA -0.095 57.124 57.345 -0.209 0.000 1.860 132 W CB 0.714 29.858 29.460 -0.527 0.000 1.094 132 W HN 0.842 nan 8.180 nan 0.000 0.643 133 G N 1.221 110.118 108.800 0.162 0.000 2.750 133 G HA2 0.193 4.369 3.960 0.361 0.000 0.250 133 G HA3 0.193 4.369 3.960 0.361 0.000 0.250 133 G C 0.230 175.200 174.900 0.117 0.000 1.230 133 G CA -0.610 44.592 45.100 0.170 0.000 0.883 133 G HN -0.025 nan 8.290 nan 0.000 0.573 134 L N -0.200 121.094 121.223 0.118 0.000 2.573 134 L HA 0.004 4.560 4.340 0.361 0.000 0.290 134 L C 2.000 178.913 176.870 0.072 0.000 1.247 134 L CA 0.607 55.502 54.840 0.092 0.000 0.876 134 L CB 0.223 42.334 42.059 0.087 0.000 1.123 134 L HN 0.790 nan 8.230 nan 0.000 0.505 135 T N -1.264 113.327 114.554 0.061 0.000 3.060 135 T HA 0.188 4.754 4.350 0.361 0.000 0.249 135 T C 0.673 175.402 174.700 0.048 0.000 1.079 135 T CA -0.172 61.958 62.100 0.051 0.000 1.013 135 T CB 0.198 69.093 68.868 0.045 0.000 0.975 135 T HN 0.463 nan 8.240 nan 0.000 0.518 136 R N 0.655 121.185 120.500 0.049 0.000 2.707 136 R HA 0.434 4.990 4.340 0.361 0.000 0.272 136 R C -0.942 175.386 176.300 0.047 0.000 1.011 136 R CA -0.628 55.498 56.100 0.044 0.000 0.893 136 R CB 0.929 31.252 30.300 0.038 0.000 1.233 136 R HN 0.090 nan 8.270 nan 0.000 0.464 137 T N 3.180 117.759 114.554 0.042 0.000 2.871 137 T HA -0.000 4.566 4.350 0.361 0.000 0.296 137 T C 0.609 175.334 174.700 0.042 0.000 0.998 137 T CA 0.442 62.567 62.100 0.043 0.000 1.162 137 T CB -0.158 68.731 68.868 0.034 0.000 0.947 137 T HN 0.462 nan 8.240 nan 0.000 0.536 138 N N 1.090 119.818 118.700 0.048 0.000 2.747 138 N HA -0.141 4.816 4.740 0.361 0.000 0.249 138 N C 0.547 176.085 175.510 0.046 0.000 1.107 138 N CA 1.064 54.142 53.050 0.046 0.000 0.707 138 N CB -1.179 37.330 38.487 0.037 0.000 1.054 138 N HN 0.829 nan 8.380 nan 0.000 0.555 139 G N -0.263 108.568 108.800 0.052 0.000 2.945 139 G HA2 0.546 4.722 3.960 0.361 0.000 0.156 139 G HA3 0.546 4.722 3.960 0.361 0.000 0.156 139 G C -0.040 174.895 174.900 0.059 0.000 1.375 139 G CA -0.053 45.077 45.100 0.051 0.000 1.039 139 G HN 0.314 nan 8.290 nan 0.000 0.586 140 Q N -0.951 118.885 119.800 0.060 0.000 2.433 140 Q HA 0.617 5.174 4.340 0.361 0.000 0.279 140 Q C -0.854 175.191 176.000 0.074 0.000 1.105 140 Q CA -0.883 54.960 55.803 0.066 0.000 0.815 140 Q CB 1.948 30.718 28.738 0.054 0.000 1.403 140 Q HN 0.365 nan 8.270 nan 0.000 0.435 141 L N 1.402 122.677 121.223 0.085 0.000 2.499 141 L HA 0.291 4.848 4.340 0.361 0.000 0.281 141 L C 0.518 177.433 176.870 0.076 0.000 1.234 141 L CA -0.164 54.730 54.840 0.090 0.000 0.839 141 L CB 0.247 42.356 42.059 0.084 0.000 1.104 141 L HN 0.864 nan 8.230 nan 0.000 0.500 142 A N 2.009 124.884 122.820 0.092 0.000 2.366 142 A HA 0.187 4.724 4.320 0.361 0.000 0.249 142 A C 0.764 178.426 177.584 0.131 0.000 1.084 142 A CA -0.219 51.874 52.037 0.093 0.000 0.794 142 A CB 0.605 19.647 19.000 0.070 0.000 1.034 142 A HN 0.891 nan 8.150 nan 0.000 0.491 143 Q N -0.157 119.702 119.800 0.099 0.000 2.089 143 Q HA -0.000 4.556 4.340 0.361 0.000 0.195 143 Q C 0.650 176.744 176.000 0.157 0.000 0.963 143 Q CA 1.485 57.344 55.803 0.093 0.000 0.834 143 Q CB -0.246 28.524 28.738 0.053 0.000 0.906 143 Q HN 0.935 nan 8.270 nan 0.000 0.452 144 T N -0.836 113.763 114.554 0.075 0.000 2.907 144 T HA 0.420 4.986 4.350 0.361 0.000 0.284 144 T C -0.049 174.521 174.700 -0.216 0.000 1.004 144 T CA -0.891 61.154 62.100 -0.091 0.000 1.063 144 T CB 1.363 70.149 68.868 -0.137 0.000 0.992 144 T HN 0.025 nan 8.240 nan 0.000 0.483 145 L N 2.718 123.626 121.223 -0.524 0.000 2.578 145 L HA 0.177 4.734 4.340 0.361 0.000 0.279 145 L C 0.104 176.730 176.870 -0.407 0.000 1.227 145 L CA 0.848 55.167 54.840 -0.868 0.000 0.900 145 L CB -0.106 41.509 42.059 -0.740 0.000 1.144 145 L HN 0.649 nan 8.230 nan 0.000 0.496 146 Q N 4.459 124.038 119.800 -0.369 0.000 2.297 146 Q HA 0.451 5.007 4.340 0.361 0.000 0.268 146 Q C -1.062 174.864 176.000 -0.123 0.000 1.045 146 Q CA -0.581 55.132 55.803 -0.150 0.000 0.861 146 Q CB 1.992 30.676 28.738 -0.090 0.000 1.344 146 Q HN 0.764 nan 8.270 nan 0.000 0.452 147 Q N -0.800 118.992 119.800 -0.013 0.000 2.372 147 Q HA 0.864 5.421 4.340 0.361 0.000 0.273 147 Q C -1.736 174.368 176.000 0.174 0.000 1.078 147 Q CA -1.071 54.753 55.803 0.035 0.000 0.806 147 Q CB 2.256 31.031 28.738 0.061 0.000 1.332 147 Q HN 0.532 nan 8.270 nan 0.000 0.435 148 A N 2.071 125.036 122.820 0.242 0.000 2.449 148 A HA 0.488 5.024 4.320 0.361 0.000 0.302 148 A C -2.090 175.638 177.584 0.239 0.000 1.048 148 A CA -0.662 51.523 52.037 0.247 0.000 0.708 148 A CB 1.317 20.396 19.000 0.132 0.000 1.274 148 A HN 0.730 nan 8.150 nan 0.000 0.410 149 Y N 2.914 123.219 120.300 0.009 0.000 2.436 149 Y HA 0.555 5.321 4.550 0.360 0.000 0.343 149 Y C -0.784 175.011 175.900 -0.176 0.000 1.008 149 Y CA -0.321 57.565 58.100 -0.357 0.000 1.241 149 Y CB 0.345 38.623 38.460 -0.303 0.000 1.153 149 Y HN 0.483 nan 8.280 nan 0.000 0.521 150 L N 10.070 130.926 121.223 -0.610 0.000 2.388 150 L HA 0.400 4.957 4.340 0.361 0.000 0.267 150 L C -2.563 173.997 176.870 -0.516 0.000 0.995 150 L CA -2.139 52.464 54.840 -0.394 0.000 0.864 150 L CB 1.659 43.630 42.059 -0.148 0.000 1.216 150 L HN 0.525 nan 8.230 nan 0.000 0.430 151 P HA 0.116 nan 4.420 nan 0.000 0.275 151 P C 0.070 177.254 177.300 -0.193 0.000 1.227 151 P CA -0.237 62.642 63.100 -0.370 0.000 0.781 151 P CB 0.716 32.273 31.700 -0.238 0.000 0.906 152 T N -0.568 113.885 114.554 -0.168 0.000 2.855 152 T HA 0.240 4.807 4.350 0.361 0.000 0.314 152 T C 0.031 174.694 174.700 -0.061 0.000 1.077 152 T CA -0.364 61.673 62.100 -0.105 0.000 1.095 152 T CB 0.020 68.821 68.868 -0.111 0.000 0.987 152 T HN 0.101 nan 8.240 nan 0.000 0.546 153 V N 3.727 123.622 119.914 -0.032 0.000 2.376 153 V HA 0.298 4.635 4.120 0.361 0.000 0.287 153 V C 0.057 176.119 176.094 -0.053 0.000 1.015 153 V CA -1.096 61.173 62.300 -0.051 0.000 0.834 153 V CB 0.922 32.725 31.823 -0.033 0.000 1.001 153 V HN 1.157 nan 8.190 nan 0.000 0.428 154 D N 2.918 123.281 120.400 -0.062 0.000 2.362 154 D HA -0.095 4.761 4.640 0.361 0.000 0.238 154 D C 1.100 177.396 176.300 -0.005 0.000 1.212 154 D CA -0.092 53.899 54.000 -0.015 0.000 0.902 154 D CB 0.683 41.478 40.800 -0.008 0.000 1.180 154 D HN 0.454 nan 8.370 nan 0.000 0.445 155 Y N 1.039 121.310 120.300 -0.048 0.000 2.128 155 Y HA -0.214 4.552 4.550 0.359 0.000 0.284 155 Y C 2.447 178.324 175.900 -0.039 0.000 1.154 155 Y CA 2.745 60.825 58.100 -0.034 0.000 1.149 155 Y CB -0.701 37.746 38.460 -0.023 0.000 0.976 155 Y HN 0.490 nan 8.280 nan 0.000 0.505 156 A N 0.379 123.135 122.820 -0.108 0.000 1.908 156 A HA -0.193 4.343 4.320 0.361 0.000 0.218 156 A C 2.314 179.745 177.584 -0.256 0.000 1.181 156 A CA 2.208 54.127 52.037 -0.197 0.000 0.627 156 A CB -1.123 17.848 19.000 -0.049 0.000 0.818 156 A HN 0.592 nan 8.150 nan 0.000 0.445 157 I N -1.411 119.006 120.570 -0.255 0.000 2.233 157 I HA -0.227 4.159 4.170 0.361 0.000 0.243 157 I C 2.623 178.430 176.117 -0.517 0.000 1.093 157 I CA 0.985 62.047 61.300 -0.396 0.000 1.380 157 I CB -0.482 37.242 38.000 -0.460 0.000 1.067 157 I HN 0.490 nan 8.210 nan 0.000 0.413 158 c N 0.971 119.346 118.600 -0.376 0.000 2.411 158 c HA -0.124 4.662 4.570 0.361 0.000 0.279 158 c C 3.020 177.103 174.090 -0.011 0.000 1.288 158 c CA 1.635 57.875 56.329 -0.149 0.000 1.764 158 c CB -1.073 41.434 42.510 -0.006 0.000 1.974 158 c HN 0.639 nan 8.230 nan 0.000 0.498 159 S N 0.279 115.833 115.700 -0.244 0.000 2.634 159 S HA 0.131 4.817 4.470 0.361 0.000 0.221 159 S C 0.548 175.084 174.600 -0.107 0.000 0.952 159 S CA 0.416 58.490 58.200 -0.209 0.000 0.930 159 S CB -0.547 62.289 63.200 -0.607 0.000 0.780 159 S HN 0.757 nan 8.310 nan 0.000 0.498 160 S N 1.639 117.301 115.700 -0.063 0.000 2.614 160 S HA 0.322 5.008 4.470 0.361 0.000 0.265 160 S C 1.409 176.062 174.600 0.090 0.000 1.303 160 S CA -0.046 58.159 58.200 0.008 0.000 1.000 160 S CB 1.141 64.349 63.200 0.012 0.000 0.935 160 S HN 0.514 nan 8.310 nan 0.000 0.551 161 S N 1.241 116.978 115.700 0.062 0.000 2.383 161 S HA -0.179 4.508 4.470 0.361 0.000 0.229 161 S C 1.886 176.509 174.600 0.037 0.000 1.030 161 S CA 1.294 59.523 58.200 0.048 0.000 1.002 161 S CB -1.390 61.824 63.200 0.023 0.000 0.829 161 S HN 1.196 nan 8.310 nan 0.000 0.467 162 S N -0.528 115.204 115.700 0.054 0.000 2.522 162 S HA 0.171 4.858 4.470 0.361 0.000 0.227 162 S C 0.957 175.458 174.600 -0.166 0.000 0.986 162 S CA -0.253 57.916 58.200 -0.053 0.000 0.929 162 S CB -0.503 62.657 63.200 -0.065 0.000 0.769 162 S HN 0.604 nan 8.310 nan 0.000 0.529 163 Y N -0.418 119.833 120.300 -0.082 0.000 3.115 163 Y HA 0.411 5.176 4.550 0.359 0.000 0.252 163 Y C 1.407 177.210 175.900 -0.161 0.000 0.907 163 Y CA -0.197 57.834 58.100 -0.115 0.000 1.261 163 Y CB -0.454 38.006 38.460 0.000 0.000 1.128 163 Y HN 0.175 nan 8.280 nan 0.000 0.541 164 W N 0.319 121.733 121.300 0.190 0.000 3.211 164 W HA 0.356 5.233 4.660 0.362 0.000 0.292 164 W C 1.182 177.748 176.519 0.079 0.000 1.268 164 W CA 0.717 58.136 57.345 0.123 0.000 1.702 164 W CB -0.054 29.496 29.460 0.150 0.000 1.092 164 W HN 0.659 nan 8.180 nan 0.000 0.643 165 G N 1.339 110.285 108.800 0.243 0.000 2.582 165 G HA2 -0.463 3.714 3.960 0.361 0.000 0.288 165 G HA3 -0.463 3.714 3.960 0.361 0.000 0.288 165 G C 1.170 176.153 174.900 0.137 0.000 1.247 165 G CA 1.154 46.339 45.100 0.141 0.000 0.972 165 G HN 0.438 nan 8.290 nan 0.000 0.557 166 S N -1.331 114.438 115.700 0.114 0.000 2.515 166 S HA 0.041 4.728 4.470 0.361 0.000 0.231 166 S C 2.084 176.759 174.600 0.124 0.000 0.987 166 S CA 2.100 60.364 58.200 0.106 0.000 0.936 166 S CB -0.243 63.002 63.200 0.075 0.000 0.766 166 S HN 0.947 nan 8.310 nan 0.000 0.528 167 T N 1.806 116.460 114.554 0.167 0.000 2.867 167 T HA 0.096 4.663 4.350 0.361 0.000 0.268 167 T C 0.646 175.433 174.700 0.146 0.000 1.057 167 T CA 0.753 62.941 62.100 0.147 0.000 1.136 167 T CB -0.223 68.788 68.868 0.239 0.000 0.874 167 T HN 0.266 nan 8.240 nan 0.000 0.466 168 V N 2.700 122.722 119.914 0.180 0.000 2.546 168 V HA 0.290 4.627 4.120 0.361 0.000 0.284 168 V C 0.117 176.348 176.094 0.227 0.000 1.050 168 V CA -0.367 62.016 62.300 0.139 0.000 0.981 168 V CB 1.341 33.214 31.823 0.083 0.000 0.990 168 V HN 0.165 nan 8.190 nan 0.000 0.474 169 K N 3.032 123.543 120.400 0.185 0.000 2.295 169 K HA 0.379 4.915 4.320 0.361 0.000 0.239 169 K C 0.576 177.210 176.600 0.058 0.000 0.991 169 K CA -0.952 55.424 56.287 0.149 0.000 0.845 169 K CB 0.986 33.495 32.500 0.015 0.000 1.197 169 K HN 0.418 nan 8.250 nan 0.000 0.441 170 N N 0.396 118.962 118.700 -0.222 0.000 2.520 170 N HA -0.118 4.839 4.740 0.361 0.000 0.185 170 N C 0.788 176.197 175.510 -0.168 0.000 1.068 170 N CA 0.889 53.726 53.050 -0.354 0.000 0.911 170 N CB 0.116 38.284 38.487 -0.532 0.000 0.961 170 N HN 0.526 nan 8.380 nan 0.000 0.446 171 S N -1.299 114.322 115.700 -0.130 0.000 2.650 171 S HA 0.185 4.872 4.470 0.361 0.000 0.219 171 S C 0.487 175.081 174.600 -0.009 0.000 0.960 171 S CA -0.095 58.042 58.200 -0.104 0.000 0.925 171 S CB -0.219 62.879 63.200 -0.170 0.000 0.775 171 S HN 0.135 nan 8.310 nan 0.000 0.525 172 M N 0.774 120.375 119.600 0.002 0.000 2.716 172 M HA 0.568 5.265 4.480 0.361 0.000 0.307 172 M C -1.302 175.023 176.300 0.042 0.000 1.223 172 M CA -0.830 54.484 55.300 0.022 0.000 0.871 172 M CB 2.481 35.070 32.600 -0.018 0.000 1.739 172 M HN -0.136 nan 8.290 nan 0.000 0.475 173 V N 0.545 120.499 119.914 0.067 0.000 2.555 173 V HA 0.463 4.800 4.120 0.361 0.000 0.302 173 V C -0.846 175.324 176.094 0.127 0.000 1.038 173 V CA -0.798 61.547 62.300 0.076 0.000 0.887 173 V CB 1.726 33.568 31.823 0.032 0.000 0.991 173 V HN 0.959 nan 8.190 nan 0.000 0.434 174 c N 3.479 122.130 118.600 0.085 0.000 2.391 174 c HA 0.973 5.759 4.570 0.361 0.000 0.339 174 c C 0.459 174.631 174.090 0.136 0.000 1.205 174 c CA -0.533 55.864 56.329 0.113 0.000 1.937 174 c CB 0.750 43.317 42.510 0.096 0.000 2.341 174 c HN 1.067 nan 8.230 nan 0.000 0.516 175 A N 1.919 124.872 122.820 0.221 0.000 2.517 175 A HA 0.890 5.427 4.320 0.361 0.000 0.297 175 A C 0.006 177.668 177.584 0.129 0.000 1.050 175 A CA 0.508 52.615 52.037 0.117 0.000 0.694 175 A CB 0.867 19.881 19.000 0.022 0.000 1.277 175 A HN 2.475 nan 8.150 nan 0.000 0.400 176 G N 0.999 109.827 108.800 0.045 0.000 2.513 176 G HA2 0.457 4.633 3.960 0.361 0.000 0.227 176 G HA3 0.457 4.633 3.960 0.361 0.000 0.227 176 G C 1.344 176.304 174.900 0.100 0.000 1.176 176 G CA 1.352 46.484 45.100 0.054 0.000 0.967 176 G HN 2.859 nan 8.290 nan 0.000 0.587 177 G N -0.407 108.454 108.800 0.100 0.000 2.132 177 G HA2 -0.017 4.159 3.960 0.361 0.000 0.234 177 G HA3 -0.017 4.159 3.960 0.361 0.000 0.234 177 G C 0.818 175.743 174.900 0.042 0.000 0.989 177 G CA 1.427 46.580 45.100 0.087 0.000 0.676 177 G HN 2.223 nan 8.290 nan 0.000 0.522 178 D N -0.044 120.381 120.400 0.042 0.000 2.355 178 D HA 0.318 5.175 4.640 0.361 0.000 0.218 178 D C 1.925 178.232 176.300 0.011 0.000 1.004 178 D CA 1.033 55.051 54.000 0.029 0.000 0.880 178 D CB -0.622 40.203 40.800 0.042 0.000 0.911 178 D HN 1.624 nan 8.370 nan 0.000 0.528 179 G N -0.812 107.991 108.800 0.006 0.000 2.176 179 G HA2 -0.302 3.875 3.960 0.361 0.000 0.253 179 G HA3 -0.302 3.875 3.960 0.361 0.000 0.253 179 G C 0.895 175.801 174.900 0.011 0.000 0.979 179 G CA 0.399 45.497 45.100 -0.003 0.000 0.641 179 G HN 0.387 nan 8.290 nan 0.000 0.530 180 V N -0.139 119.790 119.914 0.025 0.000 2.996 180 V HA 0.366 4.703 4.120 0.361 0.000 0.235 180 V C 1.343 177.463 176.094 0.043 0.000 1.205 180 V CA 1.215 63.535 62.300 0.033 0.000 1.225 180 V CB 0.243 32.089 31.823 0.037 0.000 0.995 180 V HN 0.325 nan 8.190 nan 0.000 0.484 181 R N 0.803 121.334 120.500 0.051 0.000 2.532 181 R HA 0.719 5.275 4.340 0.361 0.000 0.295 181 R C -0.583 175.753 176.300 0.059 0.000 0.968 181 R CA 0.277 56.413 56.100 0.060 0.000 0.916 181 R CB 1.933 32.277 30.300 0.073 0.000 1.124 181 R HN 0.534 nan 8.270 nan 0.000 0.463 182 S N -0.259 115.478 115.700 0.062 0.000 2.643 182 S HA 0.472 5.159 4.470 0.361 0.000 0.266 182 S C -0.346 174.292 174.600 0.063 0.000 1.130 182 S CA -0.937 57.302 58.200 0.065 0.000 0.817 182 S CB 0.876 64.111 63.200 0.058 0.000 1.107 182 S HN 0.684 nan 8.310 nan 0.000 0.471 183 G N -0.759 108.070 108.800 0.049 0.000 2.599 183 G HA2 0.580 4.757 3.960 0.361 0.000 0.264 183 G HA3 0.580 4.757 3.960 0.361 0.000 0.264 183 G C -0.238 174.686 174.900 0.039 0.000 1.200 183 G CA -0.144 44.976 45.100 0.034 0.000 0.896 183 G HN 1.193 nan 8.290 nan 0.000 0.536 184 c N -1.504 117.130 118.600 0.057 0.000 3.336 184 c HA 0.546 5.332 4.570 0.361 0.000 0.339 184 c C -0.656 173.494 174.090 0.100 0.000 1.468 184 c CA -0.702 55.671 56.329 0.074 0.000 1.287 184 c CB 1.105 43.659 42.510 0.074 0.000 1.682 184 c HN 0.808 nan 8.230 nan 0.000 0.451 185 Q N 0.680 120.548 119.800 0.112 0.000 2.315 185 Q HA 0.428 4.985 4.340 0.361 0.000 0.289 185 Q C 0.992 177.102 176.000 0.183 0.000 1.044 185 Q CA 2.089 57.978 55.803 0.143 0.000 0.920 185 Q CB 0.311 29.129 28.738 0.134 0.000 1.214 185 Q HN 1.472 nan 8.270 nan 0.000 0.392 186 G N 2.216 111.150 108.800 0.223 0.000 2.232 186 G HA2 -0.227 3.949 3.960 0.361 0.000 0.226 186 G HA3 -0.227 3.949 3.960 0.361 0.000 0.226 186 G C 0.527 175.647 174.900 0.366 0.000 0.996 186 G CA 0.163 45.458 45.100 0.326 0.000 0.626 186 G HN 0.627 nan 8.290 nan 0.000 0.509 187 D N 0.964 121.503 120.400 0.232 0.000 2.305 187 D HA 0.183 5.040 4.640 0.361 0.000 0.206 187 D C 1.444 177.830 176.300 0.144 0.000 0.974 187 D CA 0.765 54.878 54.000 0.188 0.000 0.871 187 D CB 0.018 40.885 40.800 0.112 0.000 0.947 187 D HN 0.344 nan 8.370 nan 0.000 0.516 188 S N -0.445 115.337 115.700 0.135 0.000 2.643 188 S HA 0.199 4.885 4.470 0.361 0.000 0.310 188 S C 1.574 176.170 174.600 -0.007 0.000 1.253 188 S CA 1.022 59.280 58.200 0.097 0.000 1.047 188 S CB 0.645 63.954 63.200 0.182 0.000 0.767 188 S HN 0.511 nan 8.310 nan 0.000 0.498 189 G N 2.243 111.009 108.800 -0.058 0.000 2.320 189 G HA2 -0.211 3.966 3.960 0.361 0.000 0.242 189 G HA3 -0.211 3.966 3.960 0.361 0.000 0.242 189 G C 0.472 175.369 174.900 -0.004 0.000 1.033 189 G CA 0.182 45.230 45.100 -0.086 0.000 0.620 189 G HN 1.153 nan 8.290 nan 0.000 0.517 190 G N 1.069 109.897 108.800 0.047 0.000 2.563 190 G HA2 0.638 4.814 3.960 0.361 0.000 0.283 190 G HA3 0.638 4.814 3.960 0.361 0.000 0.283 190 G C -1.985 172.919 174.900 0.006 0.000 1.309 190 G CA -0.229 44.902 45.100 0.051 0.000 1.022 190 G HN 0.417 nan 8.290 nan 0.000 0.501 191 P HA 0.309 nan 4.420 nan 0.000 0.279 191 P C -1.125 175.940 177.300 -0.391 0.000 1.252 191 P CA -0.540 62.380 63.100 -0.300 0.000 0.811 191 P CB 1.936 33.262 31.700 -0.624 0.000 1.035 192 L N 3.167 124.109 121.223 -0.468 0.000 2.316 192 L HA 0.365 4.921 4.340 0.361 0.000 0.280 192 L C -0.366 176.258 176.870 -0.410 0.000 1.006 192 L CA -0.417 54.075 54.840 -0.580 0.000 0.836 192 L CB 0.137 41.579 42.059 -1.028 0.000 1.221 192 L HN 0.337 nan 8.230 nan 0.000 0.418 193 H N 4.414 123.395 119.070 -0.149 0.000 2.552 193 H HA 0.407 5.175 4.556 0.354 0.000 0.311 193 H C -0.819 174.653 175.328 0.239 0.000 1.071 193 H CA -0.532 55.563 56.048 0.077 0.000 1.307 193 H CB 1.097 30.858 29.762 -0.001 0.000 1.416 193 H HN 0.575 nan 8.280 nan 0.000 0.464 194 c N 4.127 122.937 118.600 0.350 0.000 2.498 194 c HA 0.186 4.972 4.570 0.361 0.000 0.316 194 c C 0.346 174.452 174.090 0.027 0.000 1.209 194 c CA -0.949 55.446 56.329 0.111 0.000 1.518 194 c CB 1.256 43.595 42.510 -0.286 0.000 2.147 194 c HN 0.648 nan 8.230 nan 0.000 0.483 195 L N 4.359 125.477 121.223 -0.175 0.000 2.342 195 L HA 0.581 5.137 4.340 0.361 0.000 0.285 195 L C -0.503 176.245 176.870 -0.204 0.000 1.095 195 L CA 0.650 55.233 54.840 -0.428 0.000 0.843 195 L CB 0.237 41.959 42.059 -0.562 0.000 1.201 195 L HN 0.566 nan 8.230 nan 0.000 0.445 196 V N 5.476 125.314 119.914 -0.126 0.000 2.483 196 V HA 0.410 4.747 4.120 0.361 0.000 0.297 196 V C -0.011 176.064 176.094 -0.033 0.000 1.027 196 V CA -0.985 61.282 62.300 -0.054 0.000 0.855 196 V CB 1.502 33.337 31.823 0.020 0.000 0.995 196 V HN 0.800 nan 8.190 nan 0.000 0.424 197 N N 3.930 122.609 118.700 -0.034 0.000 2.727 197 N HA -0.224 4.732 4.740 0.361 0.000 0.249 197 N C 1.211 176.704 175.510 -0.029 0.000 1.048 197 N CA 1.501 54.538 53.050 -0.022 0.000 0.714 197 N CB -0.967 37.518 38.487 -0.004 0.000 0.959 197 N HN 1.592 nan 8.380 nan 0.000 0.544 198 G N -0.873 107.894 108.800 -0.056 0.000 2.205 198 G HA2 -0.356 3.821 3.960 0.361 0.000 0.261 198 G HA3 -0.356 3.821 3.960 0.361 0.000 0.261 198 G C -0.184 174.675 174.900 -0.068 0.000 0.980 198 G CA 0.835 45.900 45.100 -0.059 0.000 0.632 198 G HN 0.720 nan 8.290 nan 0.000 0.533 199 Q N -0.468 119.294 119.800 -0.064 0.000 2.353 199 Q HA 0.614 5.171 4.340 0.361 0.000 0.268 199 Q C -0.921 175.066 176.000 -0.021 0.000 1.045 199 Q CA -1.025 54.775 55.803 -0.005 0.000 0.811 199 Q CB 1.317 30.080 28.738 0.043 0.000 1.305 199 Q HN 0.221 nan 8.270 nan 0.000 0.447 200 Y N 0.855 121.240 120.300 0.142 0.000 2.359 200 Y HA 0.454 5.223 4.550 0.365 0.000 0.330 200 Y C 0.354 176.393 175.900 0.231 0.000 1.143 200 Y CA 0.490 58.726 58.100 0.227 0.000 1.318 200 Y CB 1.439 40.091 38.460 0.319 0.000 1.234 200 Y HN 0.666 nan 8.280 nan 0.000 0.522 201 A N 2.006 125.074 122.820 0.412 0.000 2.469 201 A HA 0.710 5.246 4.320 0.361 0.000 0.299 201 A C -1.476 176.320 177.584 0.353 0.000 1.098 201 A CA -0.822 51.410 52.037 0.326 0.000 0.737 201 A CB 1.053 20.182 19.000 0.216 0.000 1.312 201 A HN 0.452 nan 8.150 nan 0.000 0.414 202 V N 3.250 123.269 119.914 0.176 0.000 2.338 202 V HA 0.151 4.487 4.120 0.361 0.000 0.255 202 V C 0.843 176.929 176.094 -0.012 0.000 1.082 202 V CA 0.077 62.410 62.300 0.056 0.000 0.951 202 V CB -0.517 31.305 31.823 -0.001 0.000 1.102 202 V HN 0.999 nan 8.190 nan 0.000 0.489 203 H N 3.081 122.105 119.070 -0.077 0.000 2.562 203 H HA 0.249 5.020 4.556 0.358 0.000 0.267 203 H C 1.097 176.361 175.328 -0.107 0.000 0.959 203 H CA 0.715 56.717 56.048 -0.077 0.000 1.204 203 H CB 1.322 31.027 29.762 -0.094 0.000 1.430 203 H HN 0.685 nan 8.280 nan 0.000 0.545 204 G N 0.337 109.088 108.800 -0.081 0.000 2.612 204 G HA2 0.443 4.619 3.960 0.361 0.000 0.298 204 G HA3 0.443 4.619 3.960 0.361 0.000 0.298 204 G C -1.401 173.512 174.900 0.022 0.000 1.336 204 G CA -0.359 44.703 45.100 -0.064 0.000 0.953 204 G HN -0.019 nan 8.290 nan 0.000 0.482 205 V N 1.312 121.306 119.914 0.134 0.000 2.350 205 V HA 0.325 4.662 4.120 0.361 0.000 0.285 205 V C 0.450 176.650 176.094 0.176 0.000 1.014 205 V CA -0.650 61.711 62.300 0.101 0.000 0.831 205 V CB 1.273 33.090 31.823 -0.009 0.000 1.000 205 V HN 0.827 nan 8.190 nan 0.000 0.433 206 T N 3.542 118.219 114.554 0.205 0.000 2.866 206 T HA 0.021 4.587 4.350 0.361 0.000 0.293 206 T C 1.061 175.714 174.700 -0.078 0.000 1.005 206 T CA 0.966 63.036 62.100 -0.050 0.000 1.162 206 T CB 0.853 69.713 68.868 -0.015 0.000 0.968 206 T HN 0.824 nan 8.240 nan 0.000 0.530 207 S N 2.446 118.014 115.700 -0.219 0.000 2.891 207 S HA 0.456 5.143 4.470 0.361 0.000 0.247 207 S C -0.118 174.527 174.600 0.075 0.000 1.063 207 S CA -0.378 57.837 58.200 0.025 0.000 0.857 207 S CB 0.219 63.434 63.200 0.026 0.000 0.800 207 S HN 0.689 nan 8.310 nan 0.000 0.540 208 F N 0.886 120.690 119.950 -0.242 0.000 2.713 208 F HA 0.783 5.525 4.527 0.358 0.000 0.311 208 F C -0.984 174.723 175.800 -0.155 0.000 1.141 208 F CA -1.254 56.625 58.000 -0.202 0.000 0.939 208 F CB 1.336 40.206 39.000 -0.218 0.000 1.325 208 F HN 0.053 nan 8.300 nan 0.000 0.453 209 V N -1.284 118.781 119.914 0.251 0.000 3.158 209 V HA 0.796 5.133 4.120 0.361 0.000 0.311 209 V C 0.008 176.425 176.094 0.539 0.000 1.181 209 V CA -0.623 61.871 62.300 0.323 0.000 1.054 209 V CB 0.932 32.853 31.823 0.163 0.000 1.085 209 V HN 1.270 nan 8.190 nan 0.000 0.446 210 S N 0.348 116.355 115.700 0.511 0.000 2.573 210 S HA 0.216 4.902 4.470 0.361 0.000 0.277 210 S C 1.033 175.741 174.600 0.180 0.000 1.346 210 S CA 0.188 58.580 58.200 0.320 0.000 1.034 210 S CB 0.454 63.645 63.200 -0.014 0.000 0.879 210 S HN 0.789 nan 8.310 nan 0.000 0.528 211 R N 2.174 122.750 120.500 0.127 0.000 2.189 211 R HA 0.062 4.619 4.340 0.361 0.000 0.223 211 R C 1.950 178.273 176.300 0.038 0.000 1.092 211 R CA 0.732 56.874 56.100 0.071 0.000 0.989 211 R CB -0.344 29.984 30.300 0.047 0.000 0.876 211 R HN 0.663 nan 8.270 nan 0.000 0.457 212 L N -0.266 120.966 121.223 0.015 0.000 2.093 212 L HA -0.029 4.528 4.340 0.361 0.000 0.208 212 L C 0.813 177.687 176.870 0.006 0.000 1.085 212 L CA 1.214 56.050 54.840 -0.007 0.000 0.755 212 L CB -0.014 42.019 42.059 -0.044 0.000 0.904 212 L HN 0.338 nan 8.230 nan 0.000 0.435 213 G N -4.069 104.744 108.800 0.022 0.000 2.325 213 G HA2 0.114 4.291 3.960 0.361 0.000 0.297 213 G HA3 0.114 4.291 3.960 0.361 0.000 0.297 213 G C -0.171 174.758 174.900 0.048 0.000 1.448 213 G CA -0.242 44.876 45.100 0.030 0.000 0.838 213 G HN -0.053 nan 8.290 nan 0.000 0.579 214 c N 0.113 118.744 118.600 0.051 0.000 2.508 214 c HA 0.098 4.884 4.570 0.361 0.000 0.280 214 c C 1.467 175.587 174.090 0.051 0.000 1.262 214 c CA 0.939 57.305 56.329 0.061 0.000 1.706 214 c CB -0.782 41.764 42.510 0.058 0.000 2.078 214 c HN 0.765 nan 8.230 nan 0.000 0.480 215 N N 1.334 120.055 118.700 0.036 0.000 2.868 215 N HA 0.246 5.203 4.740 0.361 0.000 0.252 215 N C -1.195 174.317 175.510 0.004 0.000 1.130 215 N CA 0.284 53.350 53.050 0.027 0.000 1.026 215 N CB 0.430 38.934 38.487 0.029 0.000 1.335 215 N HN 0.240 nan 8.380 nan 0.000 0.516 216 V N 1.489 121.395 119.914 -0.013 0.000 2.417 216 V HA 0.243 4.580 4.120 0.361 0.000 0.291 216 V C 0.396 176.438 176.094 -0.086 0.000 1.024 216 V CA -0.673 61.593 62.300 -0.058 0.000 0.861 216 V CB 1.588 33.359 31.823 -0.086 0.000 0.985 216 V HN 0.485 nan 8.190 nan 0.000 0.436 217 T N 5.786 120.282 114.554 -0.096 0.000 2.908 217 T HA 0.180 4.747 4.350 0.361 0.000 0.301 217 T C 0.945 175.510 174.700 -0.225 0.000 1.019 217 T CA 0.097 62.124 62.100 -0.121 0.000 1.152 217 T CB -0.045 68.760 68.868 -0.104 0.000 0.966 217 T HN 0.757 nan 8.240 nan 0.000 0.540 218 R N 0.346 120.680 120.500 -0.277 0.000 3.875 218 R HA -0.129 4.427 4.340 0.361 0.000 0.321 218 R C -0.453 175.574 176.300 -0.455 0.000 1.196 218 R CA 0.657 56.416 56.100 -0.569 0.000 0.868 218 R CB -0.867 28.913 30.300 -0.866 0.000 1.333 218 R HN 0.431 nan 8.270 nan 0.000 0.522 219 K N 0.386 120.624 120.400 -0.271 0.000 2.877 219 K HA 0.253 4.790 4.320 0.361 0.000 0.176 219 K C -2.432 174.262 176.600 0.155 0.000 1.075 219 K CA -1.647 54.434 56.287 -0.343 0.000 0.939 219 K CB 1.515 33.711 32.500 -0.507 0.000 1.237 219 K HN 0.046 nan 8.250 nan 0.000 0.607 220 P HA -0.025 nan 4.420 nan 0.000 0.269 220 P C -0.105 177.400 177.300 0.341 0.000 1.217 220 P CA 0.075 63.373 63.100 0.331 0.000 0.783 220 P CB 0.413 32.307 31.700 0.323 0.000 0.898 221 T N 0.994 115.624 114.554 0.127 0.000 2.930 221 T HA 0.205 4.771 4.350 0.361 0.000 0.306 221 T C 0.278 174.731 174.700 -0.413 0.000 1.045 221 T CA -0.052 61.957 62.100 -0.152 0.000 1.134 221 T CB 0.094 68.828 68.868 -0.224 0.000 0.961 221 T HN 0.110 nan 8.240 nan 0.000 0.545 222 V N 4.055 123.454 119.914 -0.859 0.000 2.459 222 V HA 0.593 4.930 4.120 0.361 0.000 0.295 222 V C -0.692 174.798 176.094 -1.007 0.000 1.029 222 V CA -0.789 60.920 62.300 -0.985 0.000 0.874 222 V CB 1.003 31.757 31.823 -1.782 0.000 0.985 222 V HN 0.720 nan 8.190 nan 0.000 0.438 223 F N 0.593 120.333 119.950 -0.349 0.000 2.561 223 F HA 0.528 5.263 4.527 0.347 0.000 0.321 223 F C 0.768 176.481 175.800 -0.145 0.000 1.065 223 F CA -0.801 57.076 58.000 -0.204 0.000 0.934 223 F CB 1.714 40.634 39.000 -0.135 0.000 1.215 223 F HN 0.311 nan 8.300 nan 0.000 0.471 224 T N 1.698 116.295 114.554 0.071 0.000 2.888 224 T HA 0.119 4.685 4.350 0.361 0.000 0.301 224 T C 0.232 174.993 174.700 0.102 0.000 1.001 224 T CA -0.336 61.787 62.100 0.039 0.000 1.147 224 T CB 0.200 69.017 68.868 -0.085 0.000 0.931 224 T HN 0.470 nan 8.240 nan 0.000 0.541 225 R N 3.648 124.231 120.500 0.137 0.000 2.291 225 R HA 0.181 4.738 4.340 0.361 0.000 0.333 225 R C 1.028 177.439 176.300 0.185 0.000 1.082 225 R CA -0.268 55.905 56.100 0.123 0.000 0.948 225 R CB -0.121 30.220 30.300 0.069 0.000 1.009 225 R HN 0.524 nan 8.270 nan 0.000 0.460 226 V N 3.124 123.106 119.914 0.115 0.000 2.324 226 V HA -0.298 4.038 4.120 0.361 0.000 0.250 226 V C 2.159 178.318 176.094 0.109 0.000 1.060 226 V CA 2.352 64.723 62.300 0.119 0.000 1.042 226 V CB -0.486 31.347 31.823 0.016 0.000 0.650 226 V HN 0.946 nan 8.190 nan 0.000 0.450 227 S N 0.606 116.314 115.700 0.013 0.000 2.547 227 S HA 0.026 4.712 4.470 0.361 0.000 0.235 227 S C 1.760 176.340 174.600 -0.034 0.000 0.980 227 S CA 0.970 59.157 58.200 -0.023 0.000 0.941 227 S CB -0.253 62.913 63.200 -0.057 0.000 0.763 227 S HN 0.581 nan 8.310 nan 0.000 0.532 228 A N -0.159 122.622 122.820 -0.064 0.000 2.178 228 A HA 0.354 4.891 4.320 0.361 0.000 0.211 228 A C 1.006 178.298 177.584 -0.487 0.000 1.157 228 A CA 0.187 52.044 52.037 -0.301 0.000 0.780 228 A CB -0.381 18.340 19.000 -0.466 0.000 0.828 228 A HN 0.646 nan 8.150 nan 0.000 0.476 229 Y N -1.015 119.322 120.300 0.063 0.000 2.641 229 Y HA 0.261 5.032 4.550 0.368 0.000 0.248 229 Y C 1.505 177.524 175.900 0.199 0.000 1.170 229 Y CA -0.903 57.300 58.100 0.171 0.000 1.201 229 Y CB 0.314 38.888 38.460 0.190 0.000 1.232 229 Y HN 0.121 nan 8.280 nan 0.000 0.537 230 I N -0.634 120.041 120.570 0.175 0.000 2.163 230 I HA -0.294 4.092 4.170 0.361 0.000 0.243 230 I C 2.133 178.303 176.117 0.088 0.000 1.085 230 I CA 1.401 62.764 61.300 0.105 0.000 1.347 230 I CB -1.176 36.845 38.000 0.035 0.000 1.044 230 I HN 0.143 nan 8.210 nan 0.000 0.408 231 S N -0.253 115.502 115.700 0.092 0.000 2.356 231 S HA -0.229 4.457 4.470 0.361 0.000 0.223 231 S C 1.696 176.353 174.600 0.095 0.000 1.032 231 S CA 1.316 59.554 58.200 0.065 0.000 1.005 231 S CB -0.493 62.741 63.200 0.058 0.000 0.867 231 S HN 0.588 nan 8.310 nan 0.000 0.449 232 W N 2.283 123.612 121.300 0.049 0.000 2.318 232 W HA -0.169 4.702 4.660 0.352 0.000 0.313 232 W C 1.719 178.235 176.519 -0.004 0.000 1.221 232 W CA 1.361 58.744 57.345 0.065 0.000 1.266 232 W CB -0.604 29.012 29.460 0.259 0.000 1.150 232 W HN 0.216 nan 8.180 nan 0.000 0.496 233 I N 0.902 121.466 120.570 -0.010 0.000 2.163 233 I HA -0.402 3.985 4.170 0.361 0.000 0.243 233 I C 2.189 178.064 176.117 -0.404 0.000 1.085 233 I CA 1.730 62.847 61.300 -0.305 0.000 1.347 233 I CB -0.816 37.158 38.000 -0.043 0.000 1.044 233 I HN 0.048 nan 8.210 nan 0.000 0.408 234 N N 0.941 119.501 118.700 -0.233 0.000 2.166 234 N HA -0.156 4.801 4.740 0.361 0.000 0.186 234 N C 1.568 176.910 175.510 -0.279 0.000 1.019 234 N CA 1.162 54.075 53.050 -0.229 0.000 0.856 234 N CB -0.586 37.825 38.487 -0.127 0.000 0.993 234 N HN 0.349 nan 8.380 nan 0.000 0.426 235 N N 0.443 118.973 118.700 -0.284 0.000 2.188 235 N HA -0.062 4.895 4.740 0.361 0.000 0.184 235 N C 1.827 177.111 175.510 -0.376 0.000 1.018 235 N CA 0.479 53.365 53.050 -0.273 0.000 0.858 235 N CB -0.387 37.969 38.487 -0.218 0.000 0.989 235 N HN 0.045 nan 8.380 nan 0.000 0.426 236 V N 1.507 121.053 119.914 -0.614 0.000 2.307 236 V HA -0.136 4.200 4.120 0.361 0.000 0.245 236 V C 2.221 177.955 176.094 -0.600 0.000 1.045 236 V CA 1.154 63.059 62.300 -0.658 0.000 1.024 236 V CB -0.353 30.866 31.823 -1.005 0.000 0.651 236 V HN 0.197 nan 8.190 nan 0.000 0.449 237 I N 0.505 120.628 120.570 -0.745 0.000 2.315 237 I HA -0.197 4.190 4.170 0.361 0.000 0.248 237 I C 2.578 178.524 176.117 -0.286 0.000 1.117 237 I CA 1.381 62.232 61.300 -0.748 0.000 1.404 237 I CB -0.502 37.016 38.000 -0.804 0.000 1.071 237 I HN 0.271 nan 8.210 nan 0.000 0.419 238 A N 0.376 123.054 122.820 -0.236 0.000 2.015 238 A HA -0.153 4.383 4.320 0.361 0.000 0.219 238 A C 2.324 179.862 177.584 -0.076 0.000 1.163 238 A CA 1.848 53.812 52.037 -0.122 0.000 0.646 238 A CB -0.535 18.395 19.000 -0.116 0.000 0.806 238 A HN 0.505 nan 8.150 nan 0.000 0.448 239 S N -0.947 114.695 115.700 -0.096 0.000 2.556 239 S HA 0.182 4.869 4.470 0.361 0.000 0.216 239 S C 0.515 175.123 174.600 0.013 0.000 0.970 239 S CA -0.548 57.624 58.200 -0.046 0.000 0.912 239 S CB -0.070 63.089 63.200 -0.067 0.000 0.790 239 S HN 0.497 nan 8.310 nan 0.000 0.504 240 N N 0.000 118.744 118.700 0.073 0.000 1.763 240 N HA 0.000 4.957 4.740 0.361 0.000 0.220 240 N CA 0.000 53.171 53.050 0.202 0.000 0.885 240 N CB 0.000 38.716 38.487 0.382 0.000 1.341 240 N HN 0.000 nan 8.380 nan 0.000 0.667