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 3i12_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKLRVGIVFG GKSAEHEVSL QSAKNIVDAI DKTRFDVVLL GIDKAGQWHV DATA SEQUENCE NDAENYLQNA DDPAHIALRP SAISLAQVPG KHQHQLINAQ NGQPLPTVDV DATA SEQUENCE IFPIVHGTLG EDGSLQGMLR VANLPFVGSD VLSSAACMDK DVAKRLLRDA DATA SEQUENCE GLNIAPFITL TRTNRHAFSF AEVESRLGLP LFVKPANQGS SVGVSKVANE DATA SEQUENCE AQYQQAVALA FEFDHKVVVE QGIKGREIEC AVLGNDNPQA STCGEIVLNS DATA SEQUENCE EFXXYDTKYI DDNGAQVVVP AQIPSEVNDK IRAIAIQAYQ TLGCAGMARV DATA SEQUENCE DVFLTADNEV VINEINTLPG FTNISMYPKL WQASGLGYTD LISRLIELAL DATA SEQUENCE ERHTANNALK TT 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.564 177.584 -0.033 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 K N 1.137 121.523 120.400 -0.023 0.000 2.172 3 K HA 0.598 4.918 4.320 0.000 0.000 0.276 3 K C -0.652 175.963 176.600 0.026 0.000 1.013 3 K CA -0.417 55.852 56.287 -0.030 0.000 0.913 3 K CB 1.460 33.950 32.500 -0.018 0.000 1.055 3 K HN 0.333 nan 8.250 nan 0.000 0.461 4 L N 3.616 124.882 121.223 0.071 0.000 2.367 4 L HA 0.202 4.542 4.340 0.000 0.000 0.275 4 L C 0.614 177.599 176.870 0.191 0.000 1.129 4 L CA -0.149 54.785 54.840 0.158 0.000 0.839 4 L CB 0.338 42.558 42.059 0.269 0.000 1.133 4 L HN 0.402 nan 8.230 nan 0.000 0.453 5 R N 2.292 122.859 120.500 0.112 0.000 2.248 5 R HA 0.332 4.673 4.340 0.000 0.000 0.328 5 R C -0.880 175.466 176.300 0.077 0.000 1.067 5 R CA -0.367 55.787 56.100 0.090 0.000 0.924 5 R CB 1.034 31.367 30.300 0.056 0.000 1.013 5 R HN 0.334 nan 8.270 nan 0.000 0.454 6 V N 2.950 122.903 119.914 0.065 0.000 2.347 6 V HA 0.364 4.484 4.120 0.000 0.000 0.280 6 V C 0.617 176.722 176.094 0.017 0.000 1.021 6 V CA -0.773 61.533 62.300 0.010 0.000 0.847 6 V CB 1.672 33.443 31.823 -0.087 0.000 0.990 6 V HN 0.908 nan 8.190 nan 0.000 0.444 7 G N 5.417 114.239 108.800 0.037 0.000 2.356 7 G HA2 0.622 4.582 3.960 0.000 0.000 0.312 7 G HA3 0.622 4.582 3.960 0.000 0.000 0.312 7 G C -0.501 174.431 174.900 0.052 0.000 1.096 7 G CA -0.431 44.699 45.100 0.050 0.000 0.950 7 G HN 0.669 nan 8.290 nan 0.000 0.428 8 I N 2.597 123.183 120.570 0.027 0.000 2.312 8 I HA 0.144 4.315 4.170 0.000 0.000 0.291 8 I C -0.127 176.060 176.117 0.117 0.000 1.031 8 I CA -0.534 60.774 61.300 0.013 0.000 1.293 8 I CB 1.710 39.622 38.000 -0.146 0.000 1.403 8 I HN 0.023 nan 8.210 nan 0.000 0.484 9 V N 8.247 128.172 119.914 0.018 0.000 2.350 9 V HA 0.484 4.604 4.120 0.000 0.000 0.276 9 V C -0.288 175.734 176.094 -0.119 0.000 1.028 9 V CA -0.383 61.801 62.300 -0.194 0.000 0.860 9 V CB 0.522 32.145 31.823 -0.334 0.000 0.990 9 V HN 0.594 nan 8.190 nan 0.000 0.453 10 F N 2.333 122.074 119.950 -0.350 0.000 2.685 10 F HA 1.006 5.534 4.527 0.000 0.000 0.315 10 F C 0.488 176.097 175.800 -0.318 0.000 1.126 10 F CA -0.040 57.768 58.000 -0.320 0.000 0.950 10 F CB 1.496 40.335 39.000 -0.268 0.000 1.360 10 F HN 0.917 nan 8.300 nan 0.000 0.469 11 G N 0.354 108.976 108.800 -0.297 0.000 2.826 11 G HA2 0.456 4.416 3.960 0.000 0.000 0.233 11 G HA3 0.456 4.416 3.960 0.000 0.000 0.233 11 G C 0.363 175.142 174.900 -0.202 0.000 1.296 11 G CA 0.368 45.155 45.100 -0.521 0.000 1.001 11 G HN 3.100 nan 8.290 nan 0.000 0.576 12 G N -1.217 107.606 108.800 0.037 0.000 2.612 12 G HA2 0.235 4.195 3.960 0.000 0.000 0.686 12 G HA3 0.235 4.195 3.960 0.000 0.000 0.686 12 G C 0.346 175.357 174.900 0.184 0.000 1.274 12 G CA 0.644 45.780 45.100 0.060 0.000 0.849 12 G HN 1.199 nan 8.290 nan 0.000 0.595 13 K N -0.123 120.325 120.400 0.079 0.000 2.211 13 K HA 0.086 4.406 4.320 0.000 0.000 0.203 13 K C 2.220 178.858 176.600 0.063 0.000 1.050 13 K CA 1.134 57.452 56.287 0.052 0.000 0.945 13 K CB -0.175 32.350 32.500 0.041 0.000 0.732 13 K HN 0.883 nan 8.250 nan 0.000 0.451 14 S N 0.295 116.043 115.700 0.080 0.000 2.569 14 S HA 0.037 4.508 4.470 0.000 0.000 0.274 14 S C 1.234 175.897 174.600 0.105 0.000 1.353 14 S CA 0.097 58.344 58.200 0.078 0.000 1.023 14 S CB 1.355 64.597 63.200 0.070 0.000 0.876 14 S HN 0.250 nan 8.310 nan 0.000 0.540 15 A N 1.814 124.684 122.820 0.083 0.000 2.067 15 A HA 0.046 4.366 4.320 0.000 0.000 0.219 15 A C 1.685 179.347 177.584 0.129 0.000 1.158 15 A CA 1.380 53.473 52.037 0.092 0.000 0.661 15 A CB -0.751 18.283 19.000 0.057 0.000 0.801 15 A HN 0.922 nan 8.150 nan 0.000 0.452 16 E N -0.773 119.507 120.200 0.134 0.000 2.463 16 E HA -0.031 4.319 4.350 0.000 0.000 0.191 16 E C 1.398 178.117 176.600 0.199 0.000 1.083 16 E CA -0.054 56.446 56.400 0.166 0.000 0.872 16 E CB -0.375 29.432 29.700 0.179 0.000 0.966 16 E HN 0.703 nan 8.360 nan 0.000 0.491 17 H N 1.391 120.517 119.070 0.093 0.000 2.321 17 H HA -0.215 4.341 4.556 0.000 0.000 0.295 17 H C 1.094 176.488 175.328 0.110 0.000 1.102 17 H CA 2.017 58.110 56.048 0.075 0.000 1.266 17 H CB 0.528 30.320 29.762 0.051 0.000 1.363 17 H HN 0.180 nan 8.280 nan 0.000 0.492 18 E N -0.173 120.181 120.200 0.257 0.000 2.106 18 E HA -0.078 4.272 4.350 0.000 0.000 0.192 18 E C 2.629 179.320 176.600 0.151 0.000 0.984 18 E CA 0.974 57.500 56.400 0.210 0.000 0.806 18 E CB -0.096 29.752 29.700 0.247 0.000 0.750 18 E HN 0.244 nan 8.360 nan 0.000 0.458 19 V N 0.234 120.251 119.914 0.171 0.000 2.427 19 V HA -0.242 3.879 4.120 0.000 0.000 0.248 19 V C 2.309 178.537 176.094 0.224 0.000 1.051 19 V CA 1.781 64.187 62.300 0.176 0.000 1.048 19 V CB -0.541 31.369 31.823 0.145 0.000 0.666 19 V HN 0.278 nan 8.190 nan 0.000 0.456 20 S N -0.194 115.619 115.700 0.188 0.000 2.370 20 S HA -0.178 4.292 4.470 0.000 0.000 0.226 20 S C 1.932 176.537 174.600 0.009 0.000 1.033 20 S CA 1.722 59.914 58.200 -0.014 0.000 1.011 20 S CB -0.348 62.748 63.200 -0.173 0.000 0.852 20 S HN 0.523 nan 8.310 nan 0.000 0.457 21 L N 1.534 122.762 121.223 0.009 0.000 2.079 21 L HA -0.185 4.155 4.340 0.000 0.000 0.210 21 L C 2.856 179.739 176.870 0.022 0.000 1.081 21 L CA 1.458 56.335 54.840 0.061 0.000 0.752 21 L CB -0.788 41.313 42.059 0.070 0.000 0.896 21 L HN 0.501 nan 8.230 nan 0.000 0.433 22 Q N -0.735 119.096 119.800 0.052 0.000 2.137 22 Q HA -0.070 4.270 4.340 0.000 0.000 0.198 22 Q C 2.264 178.288 176.000 0.039 0.000 0.960 22 Q CA 1.349 57.181 55.803 0.049 0.000 0.847 22 Q CB -0.480 28.300 28.738 0.069 0.000 0.915 22 Q HN 0.361 nan 8.270 nan 0.000 0.448 23 S N 1.958 117.706 115.700 0.079 0.000 2.374 23 S HA -0.170 4.300 4.470 0.000 0.000 0.227 23 S C 2.169 176.729 174.600 -0.066 0.000 1.037 23 S CA 1.470 59.727 58.200 0.094 0.000 1.024 23 S CB -0.359 62.969 63.200 0.213 0.000 0.861 23 S HN 0.588 nan 8.310 nan 0.000 0.456 24 A N 1.446 124.151 122.820 -0.192 0.000 1.898 24 A HA -0.111 4.209 4.320 0.000 0.000 0.216 24 A C 2.012 179.381 177.584 -0.359 0.000 1.181 24 A CA 1.862 53.633 52.037 -0.444 0.000 0.620 24 A CB -0.549 17.859 19.000 -0.986 0.000 0.819 24 A HN 0.496 nan 8.150 nan 0.000 0.442 25 K N -0.143 120.149 120.400 -0.179 0.000 2.032 25 K HA -0.213 4.107 4.320 0.000 0.000 0.209 25 K C 1.650 178.224 176.600 -0.045 0.000 1.048 25 K CA 1.864 58.124 56.287 -0.044 0.000 0.927 25 K CB -0.219 32.332 32.500 0.085 0.000 0.712 25 K HN 0.452 nan 8.250 nan 0.000 0.441 26 N N 0.747 119.439 118.700 -0.014 0.000 2.188 26 N HA -0.117 4.623 4.740 0.000 0.000 0.184 26 N C 1.875 177.402 175.510 0.027 0.000 1.018 26 N CA 1.242 54.315 53.050 0.038 0.000 0.858 26 N CB -0.176 38.359 38.487 0.080 0.000 0.989 26 N HN 0.273 nan 8.380 nan 0.000 0.426 27 I N 0.448 120.984 120.570 -0.056 0.000 2.286 27 I HA -0.183 3.987 4.170 0.000 0.000 0.248 27 I C 2.024 178.057 176.117 -0.139 0.000 1.115 27 I CA 0.633 61.858 61.300 -0.125 0.000 1.392 27 I CB -0.096 37.648 38.000 -0.426 0.000 1.065 27 I HN -0.104 nan 8.210 nan 0.000 0.418 28 V N 0.647 120.448 119.914 -0.188 0.000 2.515 28 V HA -0.295 3.825 4.120 0.000 0.000 0.250 28 V C 1.719 177.765 176.094 -0.081 0.000 1.058 28 V CA 2.148 64.338 62.300 -0.183 0.000 1.064 28 V CB -0.603 31.045 31.823 -0.292 0.000 0.675 28 V HN 0.415 nan 8.190 nan 0.000 0.461 29 D N 0.015 120.393 120.400 -0.038 0.000 2.162 29 D HA 0.028 4.668 4.640 0.000 0.000 0.203 29 D C 2.066 178.389 176.300 0.039 0.000 0.967 29 D CA 1.186 55.191 54.000 0.008 0.000 0.840 29 D CB -0.158 40.657 40.800 0.026 0.000 0.972 29 D HN 0.425 nan 8.370 nan 0.000 0.482 30 A N 0.249 123.111 122.820 0.070 0.000 2.132 30 A HA 0.126 4.446 4.320 0.000 0.000 0.213 30 A C 1.079 178.731 177.584 0.113 0.000 1.154 30 A CA -0.234 51.872 52.037 0.114 0.000 0.753 30 A CB -0.348 18.782 19.000 0.217 0.000 0.826 30 A HN 0.263 nan 8.150 nan 0.000 0.469 31 I N 1.045 121.665 120.570 0.082 0.000 2.618 31 I HA -0.021 4.149 4.170 0.000 0.000 0.284 31 I C -0.254 175.965 176.117 0.170 0.000 1.146 31 I CA -0.314 61.053 61.300 0.112 0.000 1.425 31 I CB 0.439 38.459 38.000 0.034 0.000 1.383 31 I HN 0.105 nan 8.210 nan 0.000 0.562 32 D N 8.212 128.764 120.400 0.254 0.000 2.389 32 D HA -0.075 4.565 4.640 0.000 0.000 0.278 32 D C 0.907 177.317 176.300 0.184 0.000 1.398 32 D CA 0.148 54.269 54.000 0.203 0.000 1.090 32 D CB 0.577 41.492 40.800 0.192 0.000 1.108 32 D HN 0.347 nan 8.370 nan 0.000 0.532 33 K N 1.494 121.961 120.400 0.111 0.000 2.442 33 K HA -0.120 4.201 4.320 0.000 0.000 0.200 33 K C 1.823 178.432 176.600 0.015 0.000 1.045 33 K CA 0.976 57.305 56.287 0.071 0.000 0.937 33 K CB -0.761 31.765 32.500 0.044 0.000 0.757 33 K HN 0.588 nan 8.250 nan 0.000 0.474 34 T N -2.803 111.739 114.554 -0.020 0.000 3.035 34 T HA 0.054 4.404 4.350 0.000 0.000 0.259 34 T C 1.845 176.450 174.700 -0.158 0.000 1.078 34 T CA 0.278 62.338 62.100 -0.066 0.000 1.132 34 T CB 0.165 69.001 68.868 -0.054 0.000 0.900 34 T HN 0.168 nan 8.240 nan 0.000 0.480 35 R N -0.758 119.559 120.500 -0.305 0.000 2.225 35 R HA 0.374 4.715 4.340 0.000 0.000 0.194 35 R C -0.596 175.278 176.300 -0.710 0.000 0.957 35 R CA 0.197 55.899 56.100 -0.664 0.000 1.042 35 R CB 0.381 29.936 30.300 -1.241 0.000 1.004 35 R HN 0.340 nan 8.270 nan 0.000 0.509 36 F N 0.570 120.526 119.950 0.010 0.000 2.540 36 F HA 0.333 4.861 4.527 0.000 0.000 0.317 36 F C -0.344 175.459 175.800 0.005 0.000 1.104 36 F CA -1.621 56.385 58.000 0.010 0.000 0.913 36 F CB 1.424 40.434 39.000 0.017 0.000 1.170 36 F HN -0.283 nan 8.300 nan 0.000 0.450 37 D N 2.048 122.565 120.400 0.195 0.000 2.198 37 D HA 0.333 4.973 4.640 0.000 0.000 0.245 37 D C -0.658 175.698 176.300 0.094 0.000 1.079 37 D CA -0.082 53.983 54.000 0.109 0.000 0.854 37 D CB 2.400 43.243 40.800 0.073 0.000 1.148 37 D HN 0.396 nan 8.370 nan 0.000 0.456 38 V N 2.206 122.148 119.914 0.047 0.000 2.481 38 V HA 0.563 4.683 4.120 0.000 0.000 0.286 38 V C -0.576 175.517 176.094 -0.000 0.000 1.042 38 V CA -0.482 61.821 62.300 0.004 0.000 0.928 38 V CB 1.695 33.485 31.823 -0.054 0.000 0.986 38 V HN 0.253 nan 8.190 nan 0.000 0.462 39 V N 7.357 127.276 119.914 0.007 0.000 2.487 39 V HA 0.584 4.705 4.120 0.000 0.000 0.298 39 V C -0.597 175.516 176.094 0.032 0.000 1.028 39 V CA -0.710 61.605 62.300 0.024 0.000 0.860 39 V CB 1.596 33.447 31.823 0.048 0.000 0.991 39 V HN 0.938 nan 8.190 nan 0.000 0.427 40 L N 7.097 128.348 121.223 0.047 0.000 2.283 40 L HA 0.409 4.749 4.340 0.000 0.000 0.287 40 L C -0.650 176.329 176.870 0.182 0.000 1.073 40 L CA -0.448 54.481 54.840 0.148 0.000 0.822 40 L CB 1.104 43.223 42.059 0.101 0.000 1.186 40 L HN 0.465 nan 8.230 nan 0.000 0.436 41 L N 4.288 125.602 121.223 0.152 0.000 2.417 41 L HA 0.414 4.754 4.340 0.000 0.000 0.258 41 L C 0.706 177.263 176.870 -0.521 0.000 1.088 41 L CA -0.106 54.682 54.840 -0.086 0.000 0.975 41 L CB 0.750 42.764 42.059 -0.075 0.000 1.341 41 L HN 0.500 nan 8.230 nan 0.000 0.431 42 G N 3.819 112.275 108.800 -0.573 0.000 2.353 42 G HA2 0.497 4.458 3.960 0.000 0.000 0.284 42 G HA3 0.497 4.458 3.960 0.000 0.000 0.284 42 G C -0.189 174.358 174.900 -0.588 0.000 1.172 42 G CA -0.359 44.110 45.100 -1.052 0.000 0.854 42 G HN 0.258 nan 8.290 nan 0.000 0.485 43 I N 2.469 122.630 120.570 -0.681 0.000 2.321 43 I HA 0.209 4.380 4.170 0.000 0.000 0.291 43 I C 0.257 176.333 176.117 -0.069 0.000 0.998 43 I CA -1.455 59.609 61.300 -0.393 0.000 1.227 43 I CB 0.972 38.678 38.000 -0.490 0.000 1.368 43 I HN 0.351 nan 8.210 nan 0.000 0.466 44 D N 5.027 125.479 120.400 0.086 0.000 2.383 44 D HA -0.055 4.585 4.640 0.000 0.000 0.233 44 D C 1.165 177.495 176.300 0.050 0.000 1.233 44 D CA 0.422 54.494 54.000 0.119 0.000 0.881 44 D CB 1.076 41.959 40.800 0.139 0.000 1.212 44 D HN 0.405 nan 8.370 nan 0.000 0.467 45 K N 0.565 120.914 120.400 -0.084 0.000 2.442 45 K HA -0.049 4.271 4.320 0.000 0.000 0.198 45 K C 1.508 178.087 176.600 -0.036 0.000 1.042 45 K CA 0.807 57.011 56.287 -0.140 0.000 0.958 45 K CB 0.136 32.484 32.500 -0.253 0.000 0.766 45 K HN 0.339 nan 8.250 nan 0.000 0.474 46 A N 0.037 122.860 122.820 0.005 0.000 2.132 46 A HA 0.203 4.523 4.320 0.000 0.000 0.213 46 A C 1.540 179.152 177.584 0.046 0.000 1.154 46 A CA 0.888 52.942 52.037 0.027 0.000 0.753 46 A CB -0.121 18.903 19.000 0.041 0.000 0.826 46 A HN 0.363 nan 8.150 nan 0.000 0.469 47 G N -1.534 107.302 108.800 0.059 0.000 2.176 47 G HA2 -0.217 3.743 3.960 0.000 0.000 0.232 47 G HA3 -0.217 3.743 3.960 0.000 0.000 0.232 47 G C 0.087 175.073 174.900 0.143 0.000 0.986 47 G CA 0.215 45.366 45.100 0.085 0.000 0.643 47 G HN 0.568 nan 8.290 nan 0.000 0.522 48 Q N -0.653 119.210 119.800 0.104 0.000 2.293 48 Q HA 0.468 4.808 4.340 0.000 0.000 0.251 48 Q C -0.323 175.636 176.000 -0.069 0.000 0.930 48 Q CA -0.598 55.242 55.803 0.062 0.000 0.893 48 Q CB 0.679 29.421 28.738 0.006 0.000 1.215 48 Q HN 0.349 nan 8.270 nan 0.000 0.425 49 W N 2.609 123.647 121.300 -0.437 0.000 2.315 49 W HA 0.260 4.921 4.660 0.000 0.000 0.316 49 W C 0.121 176.183 176.519 -0.762 0.000 1.211 49 W CA -0.098 56.977 57.345 -0.449 0.000 1.201 49 W CB 0.717 30.028 29.460 -0.248 0.000 1.184 49 W HN 0.510 nan 8.180 nan 0.000 0.544 50 H N 0.705 119.829 119.070 0.091 0.000 2.928 50 H HA 0.453 5.009 4.556 0.001 0.000 0.371 50 H C -1.019 174.338 175.328 0.048 0.000 1.186 50 H CA -1.042 55.044 56.048 0.064 0.000 1.134 50 H CB 1.612 31.390 29.762 0.026 0.000 1.824 50 H HN -0.026 nan 8.280 nan 0.000 0.554 51 V N 3.111 123.136 119.914 0.186 0.000 2.348 51 V HA 0.127 4.248 4.120 0.000 0.000 0.270 51 V C 0.526 176.704 176.094 0.139 0.000 1.037 51 V CA -0.615 61.767 62.300 0.136 0.000 0.872 51 V CB 0.184 32.075 31.823 0.114 0.000 1.002 51 V HN 0.605 nan 8.190 nan 0.000 0.464 52 N N 3.025 121.811 118.700 0.144 0.000 2.495 52 N HA 0.295 5.035 4.740 0.000 0.000 0.280 52 N C -0.817 174.764 175.510 0.119 0.000 1.168 52 N CA -0.679 52.465 53.050 0.156 0.000 0.978 52 N CB 1.560 40.195 38.487 0.246 0.000 1.191 52 N HN 0.600 nan 8.380 nan 0.000 0.497 53 D N 0.444 120.918 120.400 0.124 0.000 2.225 53 D HA 0.193 4.833 4.640 0.000 0.000 0.248 53 D C 0.650 177.015 176.300 0.108 0.000 1.096 53 D CA -0.239 53.818 54.000 0.094 0.000 0.863 53 D CB 1.802 42.654 40.800 0.086 0.000 1.156 53 D HN 0.567 nan 8.370 nan 0.000 0.450 54 A N 3.801 126.647 122.820 0.042 0.000 1.948 54 A HA -0.237 4.084 4.320 0.000 0.000 0.220 54 A C 1.731 179.396 177.584 0.134 0.000 1.177 54 A CA 1.658 53.691 52.037 -0.006 0.000 0.636 54 A CB -0.180 18.799 19.000 -0.035 0.000 0.815 54 A HN 0.605 nan 8.150 nan 0.000 0.449 55 E N -0.694 119.585 120.200 0.133 0.000 2.076 55 E HA -0.035 4.316 4.350 0.000 0.000 0.190 55 E C 0.725 177.424 176.600 0.166 0.000 0.979 55 E CA 0.941 57.424 56.400 0.137 0.000 0.807 55 E CB -0.028 29.718 29.700 0.077 0.000 0.761 55 E HN 0.608 nan 8.360 nan 0.000 0.454 56 N N -0.379 118.420 118.700 0.165 0.000 2.706 56 N HA 0.107 4.848 4.740 0.000 0.000 0.240 56 N C -0.788 174.838 175.510 0.193 0.000 1.039 56 N CA -0.407 52.715 53.050 0.119 0.000 0.888 56 N CB 0.223 38.750 38.487 0.067 0.000 1.128 56 N HN 0.193 nan 8.380 nan 0.000 0.512 57 Y N 1.507 121.830 120.300 0.039 0.000 2.460 57 Y HA 0.493 5.043 4.550 0.000 0.000 0.276 57 Y C -0.962 174.986 175.900 0.080 0.000 1.119 57 Y CA -0.557 57.587 58.100 0.073 0.000 1.181 57 Y CB 0.611 39.127 38.460 0.093 0.000 1.304 57 Y HN 0.051 nan 8.280 nan 0.000 0.536 58 L N 2.232 122.975 121.223 -0.799 0.000 2.362 58 L HA 0.466 4.806 4.340 0.000 0.000 0.275 58 L C 0.418 177.114 176.870 -0.289 0.000 0.998 58 L CA -0.529 53.966 54.840 -0.575 0.000 0.820 58 L CB 2.391 43.911 42.059 -0.897 0.000 1.270 58 L HN 0.135 nan 8.230 nan 0.000 0.415 59 Q N 1.075 120.791 119.800 -0.140 0.000 2.204 59 Q HA 0.088 4.428 4.340 0.000 0.000 0.198 59 Q C -0.067 175.896 176.000 -0.062 0.000 0.946 59 Q CA 1.021 56.776 55.803 -0.080 0.000 0.859 59 Q CB 0.405 29.120 28.738 -0.037 0.000 0.946 59 Q HN 0.619 nan 8.270 nan 0.000 0.474 60 N N -0.527 118.144 118.700 -0.049 0.000 2.765 60 N HA 0.299 5.039 4.740 0.000 0.000 0.277 60 N C -0.212 175.270 175.510 -0.046 0.000 1.750 60 N CA -0.081 52.949 53.050 -0.034 0.000 0.827 60 N CB 1.433 39.928 38.487 0.012 0.000 1.200 60 N HN 0.086 nan 8.380 nan 0.000 0.494 61 A N 0.977 123.747 122.820 -0.083 0.000 1.997 61 A HA -0.244 4.076 4.320 0.000 0.000 0.221 61 A C 1.665 179.228 177.584 -0.035 0.000 1.172 61 A CA 1.863 53.850 52.037 -0.083 0.000 0.645 61 A CB -0.237 18.696 19.000 -0.111 0.000 0.813 61 A HN 0.625 nan 8.150 nan 0.000 0.454 62 D N -1.628 118.751 120.400 -0.035 0.000 2.325 62 D HA 0.113 4.753 4.640 0.000 0.000 0.225 62 D C -0.333 175.948 176.300 -0.031 0.000 1.096 62 D CA 0.298 54.282 54.000 -0.027 0.000 0.844 62 D CB 0.071 40.850 40.800 -0.034 0.000 0.925 62 D HN 0.232 nan 8.370 nan 0.000 0.513 63 D N 0.148 120.531 120.400 -0.028 0.000 2.472 63 D HA 0.193 4.833 4.640 0.000 0.000 0.248 63 D C -1.981 174.322 176.300 0.006 0.000 1.271 63 D CA -1.850 52.118 54.000 -0.053 0.000 0.888 63 D CB 1.663 42.376 40.800 -0.145 0.000 1.337 63 D HN -0.269 nan 8.370 nan 0.000 0.526 64 P HA -0.187 nan 4.420 nan 0.000 0.218 64 P C 1.018 178.334 177.300 0.028 0.000 1.154 64 P CA 1.654 64.831 63.100 0.127 0.000 0.872 64 P CB 0.251 32.097 31.700 0.244 0.000 0.790 65 A N -2.379 120.342 122.820 -0.165 0.000 2.238 65 A HA -0.081 4.240 4.320 0.000 0.000 0.208 65 A C 1.534 179.063 177.584 -0.092 0.000 1.177 65 A CA 0.855 52.559 52.037 -0.555 0.000 0.804 65 A CB -1.058 17.530 19.000 -0.687 0.000 0.823 65 A HN 0.364 nan 8.150 nan 0.000 0.482 66 H N -2.232 116.734 119.070 -0.175 0.000 3.457 66 H HA 0.268 4.824 4.556 0.000 0.000 0.255 66 H C 0.381 175.676 175.328 -0.055 0.000 1.082 66 H CA -0.627 55.359 56.048 -0.103 0.000 1.189 66 H CB 0.486 30.199 29.762 -0.082 0.000 1.511 66 H HN 0.405 nan 8.280 nan 0.000 0.527 67 I N 2.518 123.141 120.570 0.089 0.000 2.845 67 I HA 0.090 4.261 4.170 0.000 0.000 0.296 67 I C -0.190 175.968 176.117 0.069 0.000 1.216 67 I CA 0.265 61.599 61.300 0.057 0.000 1.438 67 I CB 0.113 38.143 38.000 0.051 0.000 1.342 67 I HN 0.143 nan 8.210 nan 0.000 0.577 68 A N 7.154 130.003 122.820 0.048 0.000 2.594 68 A HA 0.601 4.921 4.320 0.000 0.000 0.291 68 A C -1.481 176.149 177.584 0.077 0.000 1.105 68 A CA -0.722 51.365 52.037 0.083 0.000 0.694 68 A CB 1.335 20.356 19.000 0.035 0.000 1.291 68 A HN 0.665 nan 8.150 nan 0.000 0.410 69 L N 1.434 122.747 121.223 0.151 0.000 2.281 69 L HA 0.431 4.771 4.340 0.000 0.000 0.285 69 L C 0.405 177.312 176.870 0.061 0.000 1.074 69 L CA -0.156 54.772 54.840 0.146 0.000 0.817 69 L CB 0.372 42.561 42.059 0.217 0.000 1.168 69 L HN 0.642 nan 8.230 nan 0.000 0.434 70 R N 6.672 127.196 120.500 0.039 0.000 2.449 70 R HA 0.204 4.544 4.340 0.000 0.000 0.296 70 R C -2.107 174.172 176.300 -0.035 0.000 1.047 70 R CA -1.347 54.754 56.100 0.002 0.000 1.018 70 R CB -0.076 30.229 30.300 0.009 0.000 0.962 70 R HN 0.558 nan 8.270 nan 0.000 0.428 71 P HA 0.013 nan 4.420 nan 0.000 0.267 71 P C -0.486 176.717 177.300 -0.162 0.000 1.201 71 P CA 0.224 63.239 63.100 -0.140 0.000 0.775 71 P CB 0.572 32.218 31.700 -0.090 0.000 0.854 72 S N -0.236 115.289 115.700 -0.293 0.000 2.548 72 S HA 0.609 5.079 4.470 0.000 0.000 0.286 72 S C 0.892 175.432 174.600 -0.101 0.000 1.098 72 S CA -0.248 57.835 58.200 -0.195 0.000 0.930 72 S CB 1.560 64.603 63.200 -0.260 0.000 1.070 72 S HN 0.386 nan 8.310 nan 0.000 0.480 73 A N 1.584 124.400 122.820 -0.006 0.000 1.854 73 A HA 0.248 4.568 4.320 0.000 0.000 0.214 73 A C 1.001 178.640 177.584 0.092 0.000 1.192 73 A CA 0.788 52.845 52.037 0.034 0.000 0.611 73 A CB -0.238 18.780 19.000 0.030 0.000 0.832 73 A HN 0.767 nan 8.150 nan 0.000 0.442 74 I N 2.157 122.798 120.570 0.118 0.000 2.494 74 I HA 0.125 4.295 4.170 0.000 0.000 0.289 74 I C -0.381 175.891 176.117 0.259 0.000 1.106 74 I CA 0.491 61.879 61.300 0.147 0.000 1.369 74 I CB 0.010 38.081 38.000 0.119 0.000 1.410 74 I HN 0.095 nan 8.210 nan 0.000 0.523 75 S N 7.539 123.344 115.700 0.175 0.000 2.578 75 S HA 0.621 5.091 4.470 0.000 0.000 0.283 75 S C -0.127 174.481 174.600 0.014 0.000 1.195 75 S CA -0.621 57.620 58.200 0.068 0.000 1.050 75 S CB 1.543 64.767 63.200 0.040 0.000 1.012 75 S HN 0.449 nan 8.310 nan 0.000 0.511 76 L N 1.979 123.185 121.223 -0.028 0.000 2.331 76 L HA 0.835 5.175 4.340 0.000 0.000 0.275 76 L C 0.068 176.860 176.870 -0.129 0.000 1.022 76 L CA -0.772 54.051 54.840 -0.027 0.000 0.812 76 L CB 1.549 43.641 42.059 0.056 0.000 1.257 76 L HN 0.674 nan 8.230 nan 0.000 0.435 77 A N 1.963 124.702 122.820 -0.135 0.000 2.384 77 A HA 0.758 5.078 4.320 0.000 0.000 0.312 77 A C -1.155 176.303 177.584 -0.210 0.000 1.113 77 A CA -0.566 51.355 52.037 -0.193 0.000 0.779 77 A CB 1.922 20.848 19.000 -0.123 0.000 1.307 77 A HN 0.704 nan 8.150 nan 0.000 0.436 78 Q N -0.095 119.552 119.800 -0.256 0.000 2.342 78 Q HA 0.685 5.025 4.340 0.000 0.000 0.267 78 Q C -1.599 174.312 176.000 -0.148 0.000 1.038 78 Q CA -0.691 54.978 55.803 -0.224 0.000 0.832 78 Q CB 1.878 30.423 28.738 -0.322 0.000 1.323 78 Q HN 0.366 nan 8.270 nan 0.000 0.448 79 V N 3.801 123.652 119.914 -0.105 0.000 2.313 79 V HA 0.427 4.548 4.120 0.000 0.000 0.278 79 V C -2.218 173.828 176.094 -0.079 0.000 1.017 79 V CA -1.961 60.293 62.300 -0.076 0.000 0.823 79 V CB 0.992 32.789 31.823 -0.044 0.000 1.010 79 V HN 0.809 nan 8.190 nan 0.000 0.443 80 P HA 0.246 nan 4.420 nan 0.000 0.266 80 P C 1.128 178.382 177.300 -0.077 0.000 1.195 80 P CA 1.296 64.350 63.100 -0.076 0.000 0.768 80 P CB 0.833 32.495 31.700 -0.062 0.000 0.838 81 G N 1.375 110.112 108.800 -0.105 0.000 2.267 81 G HA2 -0.245 3.715 3.960 0.000 0.000 0.257 81 G HA3 -0.245 3.715 3.960 0.000 0.000 0.257 81 G C 0.403 175.170 174.900 -0.221 0.000 0.998 81 G CA -0.077 44.943 45.100 -0.133 0.000 0.620 81 G HN 0.514 nan 8.290 nan 0.000 0.529 82 K N 0.207 120.510 120.400 -0.161 0.000 2.276 82 K HA 0.309 4.629 4.320 0.000 0.000 0.259 82 K C 0.700 177.125 176.600 -0.292 0.000 1.001 82 K CA -0.017 56.193 56.287 -0.127 0.000 0.927 82 K CB 0.212 32.693 32.500 -0.033 0.000 0.969 82 K HN 0.499 nan 8.250 nan 0.000 0.490 83 H N 0.378 119.461 119.070 0.021 0.000 2.893 83 H HA 0.186 4.742 4.556 0.000 0.000 0.270 83 H C -0.011 175.308 175.328 -0.016 0.000 1.095 83 H CA 0.088 56.146 56.048 0.017 0.000 1.186 83 H CB 1.572 31.350 29.762 0.027 0.000 1.562 83 H HN 0.448 nan 8.280 nan 0.000 0.536 84 Q N -0.107 119.727 119.800 0.055 0.000 2.418 84 Q HA 0.207 4.547 4.340 0.000 0.000 0.282 84 Q C -0.600 175.380 176.000 -0.033 0.000 1.044 84 Q CA -0.771 54.991 55.803 -0.068 0.000 0.813 84 Q CB 2.575 31.265 28.738 -0.080 0.000 1.428 84 Q HN 0.326 nan 8.270 nan 0.000 0.402 85 H N 0.421 119.506 119.070 0.024 0.000 2.741 85 H HA -0.165 4.391 4.556 0.000 0.000 0.305 85 H C 0.312 175.639 175.328 -0.002 0.000 1.169 85 H CA 1.008 57.064 56.048 0.014 0.000 1.144 85 H CB -1.085 28.686 29.762 0.015 0.000 1.397 85 H HN 0.649 nan 8.280 nan 0.000 0.409 86 Q N 0.021 119.841 119.800 0.033 0.000 2.364 86 Q HA 0.174 4.514 4.340 0.000 0.000 0.207 86 Q C 0.943 176.935 176.000 -0.014 0.000 0.970 86 Q CA 0.770 56.571 55.803 -0.004 0.000 0.888 86 Q CB 0.519 29.236 28.738 -0.035 0.000 0.951 86 Q HN 0.476 nan 8.270 nan 0.000 0.469 87 L N 1.580 122.813 121.223 0.016 0.000 2.313 87 L HA 0.532 4.872 4.340 0.000 0.000 0.283 87 L C -0.392 176.496 176.870 0.030 0.000 1.013 87 L CA -0.880 53.963 54.840 0.004 0.000 0.816 87 L CB 1.212 43.296 42.059 0.041 0.000 1.236 87 L HN 0.126 nan 8.230 nan 0.000 0.419 88 I N -0.782 119.788 120.570 -0.001 0.000 3.042 88 I HA 0.494 4.664 4.170 0.000 0.000 0.310 88 I C -0.439 175.680 176.117 0.003 0.000 1.117 88 I CA -0.968 60.336 61.300 0.008 0.000 1.003 88 I CB 2.024 40.021 38.000 -0.006 0.000 1.228 88 I HN 0.439 nan 8.210 nan 0.000 0.443 89 N N 2.303 121.011 118.700 0.013 0.000 2.440 89 N HA 0.100 4.840 4.740 0.000 0.000 0.265 89 N C 0.784 176.293 175.510 -0.002 0.000 1.239 89 N CA 0.678 53.737 53.050 0.015 0.000 0.909 89 N CB 1.705 40.205 38.487 0.021 0.000 1.066 89 N HN 0.852 nan 8.380 nan 0.000 0.474 90 A N 3.937 126.753 122.820 -0.007 0.000 2.067 90 A HA -0.152 4.168 4.320 0.000 0.000 0.219 90 A C 1.942 179.521 177.584 -0.009 0.000 1.158 90 A CA 1.082 53.106 52.037 -0.021 0.000 0.661 90 A CB -0.293 18.687 19.000 -0.033 0.000 0.801 90 A HN 0.872 nan 8.150 nan 0.000 0.452 91 Q N 0.088 119.891 119.800 0.005 0.000 2.096 91 Q HA -0.173 4.168 4.340 0.000 0.000 0.197 91 Q C 0.945 176.946 176.000 0.002 0.000 0.964 91 Q CA 1.695 57.502 55.803 0.007 0.000 0.838 91 Q CB -0.015 28.733 28.738 0.017 0.000 0.906 91 Q HN 0.818 nan 8.270 nan 0.000 0.444 92 N N -2.640 116.061 118.700 0.001 0.000 2.118 92 N HA 0.181 4.922 4.740 0.000 0.000 0.226 92 N C 0.673 176.179 175.510 -0.006 0.000 1.305 92 N CA 0.575 53.624 53.050 -0.002 0.000 0.890 92 N CB 0.930 39.418 38.487 0.002 0.000 1.118 92 N HN 0.250 nan 8.380 nan 0.000 0.511 93 G N 0.374 109.168 108.800 -0.009 0.000 2.179 93 G HA2 -0.402 3.558 3.960 0.000 0.000 0.260 93 G HA3 -0.402 3.558 3.960 0.000 0.000 0.260 93 G C -0.048 174.844 174.900 -0.013 0.000 0.977 93 G CA 0.446 45.538 45.100 -0.013 0.000 0.641 93 G HN 0.764 nan 8.290 nan 0.000 0.533 94 Q N 1.722 121.517 119.800 -0.008 0.000 2.255 94 Q HA 0.460 4.801 4.340 0.000 0.000 0.280 94 Q C -2.260 173.737 176.000 -0.005 0.000 1.068 94 Q CA -0.998 54.798 55.803 -0.011 0.000 0.911 94 Q CB 0.632 29.369 28.738 -0.002 0.000 1.157 94 Q HN 0.307 nan 8.270 nan 0.000 0.380 95 P HA 0.064 nan 4.420 nan 0.000 0.275 95 P C -1.156 176.171 177.300 0.046 0.000 1.227 95 P CA -0.368 62.733 63.100 0.002 0.000 0.781 95 P CB 0.659 32.295 31.700 -0.106 0.000 0.906 96 L N 5.934 127.220 121.223 0.104 0.000 2.418 96 L HA 0.414 4.754 4.340 0.000 0.000 0.265 96 L C -1.954 175.048 176.870 0.220 0.000 1.143 96 L CA -1.629 53.285 54.840 0.123 0.000 0.809 96 L CB -0.539 41.582 42.059 0.104 0.000 1.124 96 L HN 0.311 nan 8.230 nan 0.000 0.456 97 P HA 0.065 nan 4.420 nan 0.000 0.269 97 P C -0.695 176.657 177.300 0.088 0.000 1.209 97 P CA -0.298 62.927 63.100 0.208 0.000 0.776 97 P CB 0.164 31.942 31.700 0.130 0.000 0.876 98 T N 1.757 116.259 114.554 -0.086 0.000 2.908 98 T HA 0.095 4.445 4.350 0.000 0.000 0.301 98 T C 0.320 174.994 174.700 -0.044 0.000 1.019 98 T CA 0.008 62.013 62.100 -0.158 0.000 1.152 98 T CB -0.113 68.560 68.868 -0.324 0.000 0.966 98 T HN 0.053 nan 8.240 nan 0.000 0.540 99 V N 4.614 124.520 119.914 -0.014 0.000 2.461 99 V HA 0.109 4.230 4.120 0.000 0.000 0.275 99 V C 1.071 177.161 176.094 -0.008 0.000 1.047 99 V CA -0.269 62.038 62.300 0.011 0.000 0.955 99 V CB 1.358 33.205 31.823 0.039 0.000 0.988 99 V HN 0.897 nan 8.190 nan 0.000 0.471 100 D N 2.654 123.054 120.400 0.001 0.000 2.213 100 D HA 0.038 4.678 4.640 0.000 0.000 0.205 100 D C 0.354 176.630 176.300 -0.039 0.000 0.961 100 D CA 1.203 55.193 54.000 -0.016 0.000 0.853 100 D CB 0.826 41.636 40.800 0.017 0.000 0.967 100 D HN 0.504 nan 8.370 nan 0.000 0.496 101 V N -1.104 118.801 119.914 -0.015 0.000 3.048 101 V HA 0.402 4.522 4.120 0.000 0.000 0.303 101 V C -0.821 175.284 176.094 0.018 0.000 1.214 101 V CA -1.158 61.126 62.300 -0.026 0.000 0.984 101 V CB 2.707 34.499 31.823 -0.052 0.000 1.054 101 V HN -0.228 nan 8.190 nan 0.000 0.430 102 I N 3.081 123.685 120.570 0.058 0.000 2.392 102 I HA 0.456 4.627 4.170 0.000 0.000 0.295 102 I C -0.654 175.519 176.117 0.093 0.000 0.985 102 I CA -0.350 61.007 61.300 0.096 0.000 1.221 102 I CB 1.478 39.556 38.000 0.130 0.000 1.366 102 I HN 0.857 nan 8.210 nan 0.000 0.467 103 F N 8.583 128.492 119.950 -0.068 0.000 2.311 103 F HA 0.424 4.951 4.527 0.001 0.000 0.371 103 F C -2.176 173.546 175.800 -0.132 0.000 1.083 103 F CA -2.110 55.817 58.000 -0.123 0.000 1.113 103 F CB 1.352 40.233 39.000 -0.197 0.000 1.349 103 F HN 0.241 nan 8.300 nan 0.000 0.470 104 P HA 0.215 nan 4.420 nan 0.000 0.286 104 P C -0.392 176.957 177.300 0.082 0.000 1.269 104 P CA -0.191 62.944 63.100 0.059 0.000 0.787 104 P CB 2.385 34.061 31.700 -0.041 0.000 0.920 105 I N 3.564 124.098 120.570 -0.060 0.000 3.336 105 I HA 0.095 4.265 4.170 0.000 0.000 0.323 105 I C -0.804 175.046 176.117 -0.445 0.000 1.520 105 I CA -0.544 60.642 61.300 -0.191 0.000 0.959 105 I CB 0.554 38.422 38.000 -0.220 0.000 1.463 105 I HN -0.074 nan 8.210 nan 0.000 0.571 106 V N 2.688 122.415 119.914 -0.312 0.000 2.387 106 V HA 0.187 4.307 4.120 0.000 0.000 0.260 106 V C 0.202 176.156 176.094 -0.234 0.000 1.054 106 V CA -0.249 61.873 62.300 -0.297 0.000 0.967 106 V CB -0.377 31.331 31.823 -0.191 0.000 1.036 106 V HN 0.341 nan 8.190 nan 0.000 0.481 107 H N 3.288 122.355 119.070 -0.005 0.000 2.629 107 H HA 0.592 5.149 4.556 0.000 0.000 0.357 107 H C 1.070 176.399 175.328 0.002 0.000 1.121 107 H CA 0.762 56.812 56.048 0.003 0.000 1.406 107 H CB 0.997 30.767 29.762 0.014 0.000 1.456 107 H HN 0.940 nan 8.280 nan 0.000 0.579 108 G N 1.005 109.878 108.800 0.121 0.000 2.509 108 G HA2 -0.393 3.567 3.960 0.000 0.000 0.259 108 G HA3 -0.393 3.567 3.960 0.000 0.000 0.259 108 G C 1.298 176.218 174.900 0.035 0.000 1.169 108 G CA 0.227 45.364 45.100 0.062 0.000 0.953 108 G HN 0.602 nan 8.290 nan 0.000 0.563 109 T N 0.608 115.181 114.554 0.031 0.000 2.653 109 T HA -0.121 4.229 4.350 0.000 0.000 0.268 109 T C 2.327 177.038 174.700 0.019 0.000 1.035 109 T CA 2.239 64.354 62.100 0.024 0.000 1.154 109 T CB -0.240 68.646 68.868 0.030 0.000 0.862 109 T HN 0.444 nan 8.240 nan 0.000 0.441 110 L N -0.732 120.500 121.223 0.016 0.000 2.609 110 L HA 0.343 4.684 4.340 0.000 0.000 0.230 110 L C 2.648 179.515 176.870 -0.004 0.000 1.087 110 L CA 0.278 55.127 54.840 0.014 0.000 0.874 110 L CB 0.014 42.093 42.059 0.033 0.000 1.114 110 L HN 0.290 nan 8.230 nan 0.000 0.488 111 G N -0.704 108.084 108.800 -0.019 0.000 2.453 111 G HA2 -0.128 3.832 3.960 0.000 0.000 0.215 111 G HA3 -0.128 3.832 3.960 0.000 0.000 0.215 111 G C 1.347 176.225 174.900 -0.037 0.000 1.147 111 G CA 0.163 45.235 45.100 -0.046 0.000 0.802 111 G HN 0.271 nan 8.290 nan 0.000 0.535 112 E N 0.333 120.528 120.200 -0.010 0.000 2.460 112 E HA 0.002 4.352 4.350 0.000 0.000 0.200 112 E C 0.900 177.497 176.600 -0.006 0.000 1.011 112 E CA 0.336 56.736 56.400 0.000 0.000 0.912 112 E CB 0.363 30.079 29.700 0.027 0.000 0.953 112 E HN 0.489 nan 8.360 nan 0.000 0.494 113 D N -1.326 119.071 120.400 -0.006 0.000 2.342 113 D HA 0.095 4.735 4.640 0.000 0.000 0.221 113 D C 1.158 177.454 176.300 -0.007 0.000 1.101 113 D CA 0.580 54.578 54.000 -0.004 0.000 0.837 113 D CB 0.467 41.269 40.800 0.004 0.000 0.938 113 D HN 0.170 nan 8.370 nan 0.000 0.508 114 G N -0.482 108.307 108.800 -0.018 0.000 2.213 114 G HA2 -0.361 3.599 3.960 0.000 0.000 0.236 114 G HA3 -0.361 3.599 3.960 0.000 0.000 0.236 114 G C 1.395 176.275 174.900 -0.033 0.000 0.991 114 G CA 0.373 45.461 45.100 -0.021 0.000 0.629 114 G HN 0.340 nan 8.290 nan 0.000 0.517 115 S N -0.054 115.630 115.700 -0.026 0.000 2.345 115 S HA 0.041 4.511 4.470 0.000 0.000 0.219 115 S C 2.209 176.784 174.600 -0.041 0.000 1.031 115 S CA 1.529 59.716 58.200 -0.022 0.000 0.984 115 S CB -0.255 62.944 63.200 -0.001 0.000 0.874 115 S HN 0.709 nan 8.310 nan 0.000 0.451 116 L N 2.005 123.202 121.223 -0.044 0.000 2.042 116 L HA -0.166 4.174 4.340 0.000 0.000 0.210 116 L C 2.142 178.897 176.870 -0.192 0.000 1.076 116 L CA 1.855 56.661 54.840 -0.056 0.000 0.749 116 L CB -0.854 41.178 42.059 -0.045 0.000 0.893 116 L HN 0.142 nan 8.230 nan 0.000 0.432 117 Q N -0.119 119.517 119.800 -0.273 0.000 2.096 117 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 117 Q C 2.201 178.069 176.000 -0.220 0.000 0.982 117 Q CA 1.792 57.310 55.803 -0.475 0.000 0.850 117 Q CB -1.092 27.488 28.738 -0.265 0.000 0.901 117 Q HN 0.637 nan 8.270 nan 0.000 0.422 118 G N -0.017 108.726 108.800 -0.094 0.000 2.446 118 G HA2 -0.295 3.666 3.960 0.000 0.000 0.217 118 G HA3 -0.295 3.666 3.960 0.000 0.000 0.217 118 G C 1.397 176.271 174.900 -0.044 0.000 1.168 118 G CA 0.926 46.006 45.100 -0.034 0.000 0.771 118 G HN 0.245 nan 8.290 nan 0.000 0.551 119 M N -0.202 119.353 119.600 -0.075 0.000 2.082 119 M HA -0.042 4.438 4.480 0.000 0.000 0.258 119 M C 2.627 178.879 176.300 -0.080 0.000 1.069 119 M CA 1.392 56.638 55.300 -0.091 0.000 1.102 119 M CB -0.284 32.248 32.600 -0.114 0.000 1.336 119 M HN 0.214 nan 8.290 nan 0.000 0.404 120 L N -1.296 119.865 121.223 -0.105 0.000 2.056 120 L HA -0.212 4.128 4.340 0.000 0.000 0.207 120 L C 2.603 179.546 176.870 0.121 0.000 1.078 120 L CA 1.095 55.915 54.840 -0.034 0.000 0.749 120 L CB -0.727 41.222 42.059 -0.182 0.000 0.901 120 L HN 0.316 nan 8.230 nan 0.000 0.433 121 R N 0.163 120.766 120.500 0.172 0.000 2.091 121 R HA -0.164 4.176 4.340 0.000 0.000 0.238 121 R C 2.187 178.541 176.300 0.089 0.000 1.136 121 R CA 1.698 57.928 56.100 0.216 0.000 0.959 121 R CB -0.221 30.195 30.300 0.193 0.000 0.856 121 R HN 0.183 nan 8.270 nan 0.000 0.437 122 V N 0.574 120.505 119.914 0.027 0.000 2.490 122 V HA -0.163 3.957 4.120 0.000 0.000 0.250 122 V C 2.052 178.121 176.094 -0.041 0.000 1.061 122 V CA 1.771 64.062 62.300 -0.014 0.000 1.064 122 V CB -0.431 31.370 31.823 -0.038 0.000 0.670 122 V HN 0.462 nan 8.190 nan 0.000 0.461 123 A N -0.328 122.471 122.820 -0.036 0.000 2.278 123 A HA 0.099 4.419 4.320 0.000 0.000 0.212 123 A C 0.859 178.416 177.584 -0.045 0.000 1.213 123 A CA 0.406 52.408 52.037 -0.059 0.000 0.840 123 A CB -0.864 18.098 19.000 -0.064 0.000 0.866 123 A HN 0.708 nan 8.150 nan 0.000 0.489 124 N N -1.299 117.406 118.700 0.009 0.000 2.716 124 N HA -0.160 4.580 4.740 0.000 0.000 0.250 124 N C -0.779 174.787 175.510 0.094 0.000 1.033 124 N CA 0.541 53.649 53.050 0.096 0.000 0.727 124 N CB -1.414 37.048 38.487 -0.042 0.000 0.950 124 N HN 0.534 nan 8.380 nan 0.000 0.541 125 L N 0.307 121.589 121.223 0.098 0.000 2.264 125 L HA 0.457 4.798 4.340 0.000 0.000 0.289 125 L C -1.958 174.946 176.870 0.058 0.000 1.044 125 L CA -1.865 53.002 54.840 0.045 0.000 0.807 125 L CB 1.134 43.243 42.059 0.083 0.000 1.192 125 L HN -0.156 nan 8.230 nan 0.000 0.425 126 P HA 0.148 nan 4.420 nan 0.000 0.269 126 P C -1.164 176.139 177.300 0.005 0.000 1.209 126 P CA 0.114 63.037 63.100 -0.295 0.000 0.776 126 P CB 0.439 31.863 31.700 -0.461 0.000 0.876 127 F N -0.503 119.402 119.950 -0.074 0.000 2.654 127 F HA 0.568 5.095 4.527 0.000 0.000 0.308 127 F C -1.279 174.434 175.800 -0.144 0.000 1.108 127 F CA -1.613 56.330 58.000 -0.095 0.000 0.957 127 F CB 0.414 39.382 39.000 -0.052 0.000 1.309 127 F HN -0.062 nan 8.300 nan 0.000 0.446 128 V N 3.077 122.978 119.914 -0.021 0.000 2.715 128 V HA 0.628 4.748 4.120 0.000 0.000 0.299 128 V C 0.827 176.879 176.094 -0.069 0.000 1.054 128 V CA 0.986 63.137 62.300 -0.249 0.000 1.077 128 V CB 0.245 31.610 31.823 -0.765 0.000 0.972 128 V HN 1.557 nan 8.190 nan 0.000 0.484 129 G N 4.407 113.143 108.800 -0.105 0.000 2.627 129 G HA2 -0.154 3.806 3.960 0.000 0.000 0.214 129 G HA3 -0.154 3.806 3.960 0.000 0.000 0.214 129 G C -0.157 174.777 174.900 0.056 0.000 1.331 129 G CA -0.323 44.761 45.100 -0.026 0.000 0.891 129 G HN 0.865 nan 8.290 nan 0.000 0.539 130 S N 0.454 116.184 115.700 0.049 0.000 2.592 130 S HA 0.480 4.951 4.470 0.000 0.000 0.271 130 S C 0.555 175.251 174.600 0.161 0.000 1.326 130 S CA -0.022 58.198 58.200 0.034 0.000 1.024 130 S CB 1.463 64.640 63.200 -0.038 0.000 0.921 130 S HN 0.713 nan 8.310 nan 0.000 0.527 131 D N 0.220 120.698 120.400 0.130 0.000 2.496 131 D HA 0.256 4.896 4.640 0.000 0.000 0.283 131 D C 1.543 177.915 176.300 0.120 0.000 1.214 131 D CA -0.490 53.646 54.000 0.226 0.000 1.089 131 D CB 0.841 41.722 40.800 0.135 0.000 1.141 131 D HN 0.200 nan 8.370 nan 0.000 0.580 132 V N 0.394 120.372 119.914 0.107 0.000 2.237 132 V HA -0.216 3.904 4.120 0.000 0.000 0.245 132 V C 2.415 178.525 176.094 0.025 0.000 1.046 132 V CA 1.458 63.787 62.300 0.048 0.000 1.007 132 V CB -0.553 31.297 31.823 0.045 0.000 0.638 132 V HN 0.439 nan 8.190 nan 0.000 0.445 133 L N 0.142 121.379 121.223 0.023 0.000 1.994 133 L HA -0.131 4.209 4.340 0.000 0.000 0.208 133 L C 2.642 179.510 176.870 -0.004 0.000 1.071 133 L CA 2.519 57.364 54.840 0.008 0.000 0.745 133 L CB -1.079 40.983 42.059 0.006 0.000 0.892 133 L HN 0.346 nan 8.230 nan 0.000 0.431 134 S N -1.345 114.347 115.700 -0.014 0.000 2.359 134 S HA -0.191 4.279 4.470 0.000 0.000 0.224 134 S C 2.092 176.672 174.600 -0.034 0.000 1.035 134 S CA 1.667 59.843 58.200 -0.040 0.000 1.018 134 S CB -0.399 62.756 63.200 -0.075 0.000 0.876 134 S HN 0.662 nan 8.310 nan 0.000 0.448 135 S N 1.478 117.168 115.700 -0.016 0.000 2.348 135 S HA -0.035 4.436 4.470 0.000 0.000 0.221 135 S C 2.275 176.868 174.600 -0.011 0.000 1.033 135 S CA 1.184 59.376 58.200 -0.013 0.000 1.010 135 S CB -0.877 62.320 63.200 -0.004 0.000 0.891 135 S HN 0.721 nan 8.310 nan 0.000 0.442 136 A N 1.676 124.493 122.820 -0.005 0.000 1.892 136 A HA -0.025 4.295 4.320 0.000 0.000 0.218 136 A C 2.366 179.948 177.584 -0.004 0.000 1.188 136 A CA 1.983 54.019 52.037 -0.001 0.000 0.631 136 A CB -1.199 17.804 19.000 0.006 0.000 0.822 136 A HN 0.540 nan 8.150 nan 0.000 0.447 137 A N -1.216 121.599 122.820 -0.009 0.000 1.902 137 A HA -0.163 4.158 4.320 0.000 0.000 0.217 137 A C 2.272 179.842 177.584 -0.023 0.000 1.181 137 A CA 1.707 53.737 52.037 -0.012 0.000 0.623 137 A CB -1.204 17.788 19.000 -0.014 0.000 0.818 137 A HN 0.627 nan 8.150 nan 0.000 0.443 138 C N -1.683 117.599 119.300 -0.030 0.000 2.446 138 C HA 0.029 4.489 4.460 0.000 0.000 0.279 138 C C 2.608 177.578 174.990 -0.034 0.000 1.366 138 C CA 1.321 60.317 59.018 -0.038 0.000 1.763 138 C CB -1.047 26.668 27.740 -0.041 0.000 1.929 138 C HN 0.706 nan 8.230 nan 0.000 0.509 139 M N 0.847 120.433 119.600 -0.023 0.000 2.419 139 M HA 0.101 4.581 4.480 0.000 0.000 0.264 139 M C 0.475 176.762 176.300 -0.021 0.000 1.082 139 M CA 1.289 56.577 55.300 -0.020 0.000 1.119 139 M CB -0.349 32.246 32.600 -0.009 0.000 1.398 139 M HN 0.128 nan 8.290 nan 0.000 0.453 140 D N 0.663 121.052 120.400 -0.018 0.000 2.396 140 D HA 0.102 4.742 4.640 0.000 0.000 0.225 140 D C 0.444 176.723 176.300 -0.036 0.000 1.121 140 D CA 0.111 54.102 54.000 -0.015 0.000 0.853 140 D CB 0.774 41.577 40.800 0.005 0.000 1.043 140 D HN 0.228 nan 8.370 nan 0.000 0.500 141 K N 2.327 122.694 120.400 -0.055 0.000 2.147 141 K HA -0.176 4.144 4.320 0.000 0.000 0.205 141 K C 1.292 177.811 176.600 -0.135 0.000 1.049 141 K CA 1.304 57.530 56.287 -0.102 0.000 0.936 141 K CB 0.215 32.648 32.500 -0.112 0.000 0.722 141 K HN 0.441 nan 8.250 nan 0.000 0.446 142 D N -0.007 120.355 120.400 -0.064 0.000 2.097 142 D HA -0.138 4.503 4.640 0.000 0.000 0.197 142 D C 1.675 177.993 176.300 0.030 0.000 0.984 142 D CA 1.074 55.074 54.000 -0.000 0.000 0.826 142 D CB 0.124 40.983 40.800 0.099 0.000 0.973 142 D HN -0.108 nan 8.370 nan 0.000 0.460 143 V N 0.903 120.832 119.914 0.025 0.000 2.295 143 V HA -0.195 3.925 4.120 0.000 0.000 0.246 143 V C 2.689 178.786 176.094 0.005 0.000 1.049 143 V CA 1.808 64.127 62.300 0.031 0.000 1.024 143 V CB -1.102 30.736 31.823 0.026 0.000 0.648 143 V HN 0.408 nan 8.190 nan 0.000 0.447 144 A N -0.216 122.586 122.820 -0.030 0.000 1.883 144 A HA -0.301 4.019 4.320 0.000 0.000 0.217 144 A C 2.281 179.832 177.584 -0.056 0.000 1.186 144 A CA 2.359 54.369 52.037 -0.044 0.000 0.624 144 A CB -0.527 18.434 19.000 -0.064 0.000 0.822 144 A HN 0.539 nan 8.150 nan 0.000 0.444 145 K N -0.774 119.554 120.400 -0.120 0.000 2.097 145 K HA -0.091 4.229 4.320 0.000 0.000 0.206 145 K C 2.316 178.927 176.600 0.019 0.000 1.049 145 K CA 1.380 57.568 56.287 -0.165 0.000 0.933 145 K CB -0.154 32.004 32.500 -0.571 0.000 0.717 145 K HN 0.404 nan 8.250 nan 0.000 0.442 146 R N 0.420 120.983 120.500 0.105 0.000 2.096 146 R HA -0.067 4.274 4.340 0.000 0.000 0.235 146 R C 2.252 178.606 176.300 0.090 0.000 1.127 146 R CA 1.060 57.260 56.100 0.165 0.000 0.968 146 R CB -0.289 30.108 30.300 0.162 0.000 0.861 146 R HN 0.181 nan 8.270 nan 0.000 0.440 147 L N 0.476 121.730 121.223 0.052 0.000 2.056 147 L HA -0.160 4.180 4.340 0.000 0.000 0.207 147 L C 2.317 179.207 176.870 0.032 0.000 1.078 147 L CA 1.068 55.928 54.840 0.034 0.000 0.749 147 L CB -0.312 41.757 42.059 0.017 0.000 0.901 147 L HN 0.186 nan 8.230 nan 0.000 0.433 148 L N -0.607 120.631 121.223 0.024 0.000 2.056 148 L HA -0.207 4.133 4.340 0.000 0.000 0.207 148 L C 2.800 179.696 176.870 0.043 0.000 1.078 148 L CA 1.181 56.035 54.840 0.023 0.000 0.749 148 L CB -0.522 41.538 42.059 0.001 0.000 0.901 148 L HN 0.235 nan 8.230 nan 0.000 0.433 149 R N 0.290 120.831 120.500 0.068 0.000 2.091 149 R HA -0.240 4.100 4.340 0.000 0.000 0.238 149 R C 2.111 178.450 176.300 0.065 0.000 1.136 149 R CA 2.087 58.239 56.100 0.087 0.000 0.959 149 R CB -0.398 29.989 30.300 0.145 0.000 0.856 149 R HN 0.414 nan 8.270 nan 0.000 0.437 150 D N -0.259 120.177 120.400 0.060 0.000 2.219 150 D HA -0.113 4.527 4.640 0.000 0.000 0.205 150 D C 1.220 177.542 176.300 0.037 0.000 0.970 150 D CA 1.146 55.174 54.000 0.047 0.000 0.851 150 D CB 0.138 40.965 40.800 0.045 0.000 0.943 150 D HN 0.414 nan 8.370 nan 0.000 0.488 151 A N -0.137 122.704 122.820 0.036 0.000 2.235 151 A HA 0.317 4.637 4.320 0.000 0.000 0.208 151 A C 1.763 179.365 177.584 0.030 0.000 1.172 151 A CA 1.195 53.250 52.037 0.031 0.000 0.786 151 A CB -0.352 18.666 19.000 0.029 0.000 0.804 151 A HN 0.436 nan 8.150 nan 0.000 0.479 152 G N -1.589 107.231 108.800 0.034 0.000 2.141 152 G HA2 -0.206 3.754 3.960 0.000 0.000 0.242 152 G HA3 -0.206 3.754 3.960 0.000 0.000 0.242 152 G C 0.051 174.970 174.900 0.032 0.000 0.982 152 G CA 0.336 45.455 45.100 0.032 0.000 0.662 152 G HN 0.442 nan 8.290 nan 0.000 0.527 153 L N 0.016 121.259 121.223 0.033 0.000 2.399 153 L HA 0.426 4.767 4.340 0.000 0.000 0.265 153 L C 0.726 177.617 176.870 0.035 0.000 1.089 153 L CA -0.976 53.881 54.840 0.029 0.000 0.802 153 L CB 0.817 42.889 42.059 0.023 0.000 1.180 153 L HN 0.151 nan 8.230 nan 0.000 0.454 154 N N 1.151 119.870 118.700 0.032 0.000 2.497 154 N HA 0.469 5.209 4.740 0.000 0.000 0.271 154 N C -1.023 174.512 175.510 0.042 0.000 1.142 154 N CA -0.265 52.810 53.050 0.042 0.000 0.965 154 N CB 1.058 39.571 38.487 0.042 0.000 1.077 154 N HN 0.263 nan 8.380 nan 0.000 0.462 155 I N 1.370 121.977 120.570 0.062 0.000 2.802 155 I HA 0.357 4.527 4.170 0.000 0.000 0.298 155 I C -0.636 175.542 176.117 0.101 0.000 1.176 155 I CA -0.748 60.588 61.300 0.060 0.000 1.025 155 I CB 1.904 39.936 38.000 0.054 0.000 1.243 155 I HN 0.555 nan 8.210 nan 0.000 0.424 156 A N 7.188 130.071 122.820 0.105 0.000 2.548 156 A HA 0.436 4.756 4.320 0.000 0.000 0.247 156 A C -2.337 175.376 177.584 0.214 0.000 1.067 156 A CA -0.682 51.435 52.037 0.134 0.000 0.757 156 A CB -1.008 18.068 19.000 0.126 0.000 0.996 156 A HN 0.429 nan 8.150 nan 0.000 0.504 157 P HA 0.272 nan 4.420 nan 0.000 0.264 157 P C -0.504 176.972 177.300 0.293 0.000 1.183 157 P CA 0.787 64.012 63.100 0.209 0.000 0.763 157 P CB 0.010 31.767 31.700 0.096 0.000 0.807 158 F N 2.222 122.176 119.950 0.007 0.000 2.779 158 F HA 0.773 5.301 4.527 0.000 0.000 0.316 158 F C -1.444 174.334 175.800 -0.037 0.000 1.164 158 F CA -1.417 56.579 58.000 -0.007 0.000 0.924 158 F CB 1.143 40.146 39.000 0.006 0.000 1.348 158 F HN 0.273 nan 8.300 nan 0.000 0.467 159 I N -0.679 119.810 120.570 -0.136 0.000 2.994 159 I HA 0.809 4.979 4.170 0.000 0.000 0.306 159 I C -1.583 174.502 176.117 -0.053 0.000 1.195 159 I CA -0.824 60.291 61.300 -0.307 0.000 1.001 159 I CB 2.605 40.336 38.000 -0.447 0.000 1.244 159 I HN 0.683 nan 8.210 nan 0.000 0.437 160 T N 5.032 119.549 114.554 -0.061 0.000 2.812 160 T HA 0.595 4.945 4.350 0.000 0.000 0.282 160 T C -0.347 174.366 174.700 0.021 0.000 0.990 160 T CA -0.459 61.676 62.100 0.057 0.000 0.960 160 T CB 1.469 70.429 68.868 0.153 0.000 0.948 160 T HN 0.383 nan 8.240 nan 0.000 0.438 161 L N 3.352 124.595 121.223 0.033 0.000 2.325 161 L HA 0.701 5.041 4.340 0.000 0.000 0.279 161 L C 0.987 178.021 176.870 0.273 0.000 1.054 161 L CA -0.795 54.143 54.840 0.164 0.000 0.804 161 L CB 1.548 43.732 42.059 0.208 0.000 1.200 161 L HN 0.743 nan 8.230 nan 0.000 0.436 162 T N -2.066 112.700 114.554 0.354 0.000 2.883 162 T HA 0.412 4.762 4.350 0.000 0.000 0.284 162 T C 0.918 175.803 174.700 0.307 0.000 1.041 162 T CA -0.926 61.390 62.100 0.359 0.000 1.007 162 T CB 1.707 70.703 68.868 0.213 0.000 1.220 162 T HN 0.411 nan 8.240 nan 0.000 0.552 163 R N 0.348 120.953 120.500 0.175 0.000 2.189 163 R HA 0.001 4.341 4.340 0.000 0.000 0.223 163 R C 2.174 178.454 176.300 -0.034 0.000 1.092 163 R CA 1.700 57.762 56.100 -0.063 0.000 0.989 163 R CB -0.926 29.348 30.300 -0.044 0.000 0.876 163 R HN 0.938 nan 8.270 nan 0.000 0.457 164 T N -2.817 111.760 114.554 0.038 0.000 3.040 164 T HA 0.023 4.373 4.350 0.000 0.000 0.250 164 T C 1.032 175.772 174.700 0.066 0.000 1.058 164 T CA 0.268 62.392 62.100 0.040 0.000 0.988 164 T CB -0.163 68.727 68.868 0.036 0.000 0.993 164 T HN 0.473 nan 8.240 nan 0.000 0.519 165 N N -0.024 118.742 118.700 0.111 0.000 2.177 165 N HA 0.173 4.913 4.740 0.000 0.000 0.218 165 N C 1.818 177.458 175.510 0.215 0.000 1.182 165 N CA -0.734 52.409 53.050 0.155 0.000 0.882 165 N CB 0.028 38.648 38.487 0.222 0.000 1.052 165 N HN 0.110 nan 8.380 nan 0.000 0.519 166 R N 0.928 121.487 120.500 0.098 0.000 2.113 166 R HA -0.195 4.145 4.340 0.000 0.000 0.244 166 R C 0.748 177.049 176.300 0.002 0.000 1.142 166 R CA 2.015 58.116 56.100 0.002 0.000 0.953 166 R CB -0.277 29.781 30.300 -0.404 0.000 0.860 166 R HN 0.515 nan 8.270 nan 0.000 0.438 167 H N -1.222 117.946 119.070 0.163 0.000 2.553 167 H HA 0.237 4.793 4.556 0.000 0.000 0.265 167 H C 1.703 177.086 175.328 0.091 0.000 0.964 167 H CA 0.309 56.437 56.048 0.135 0.000 1.156 167 H CB 0.466 30.269 29.762 0.068 0.000 1.411 167 H HN 0.376 nan 8.280 nan 0.000 0.558 168 A N 0.834 123.717 122.820 0.105 0.000 1.986 168 A HA -0.158 4.162 4.320 0.000 0.000 0.220 168 A C 0.300 177.743 177.584 -0.236 0.000 1.171 168 A CA 1.024 52.972 52.037 -0.148 0.000 0.640 168 A CB -0.528 18.245 19.000 -0.378 0.000 0.811 168 A HN 0.218 nan 8.150 nan 0.000 0.451 169 F N 1.051 121.068 119.950 0.112 0.000 2.391 169 F HA 0.371 4.899 4.527 0.000 0.000 0.359 169 F C 1.017 176.899 175.800 0.137 0.000 1.122 169 F CA -0.371 57.690 58.000 0.101 0.000 1.120 169 F CB 1.149 40.214 39.000 0.109 0.000 1.142 169 F HN 0.106 nan 8.300 nan 0.000 0.483 170 S N 2.880 118.720 115.700 0.234 0.000 2.593 170 S HA 0.092 4.562 4.470 0.000 0.000 0.269 170 S C 0.889 175.580 174.600 0.151 0.000 1.334 170 S CA -0.669 57.652 58.200 0.202 0.000 1.015 170 S CB 0.554 63.831 63.200 0.128 0.000 0.912 170 S HN 0.655 nan 8.310 nan 0.000 0.541 171 F N 1.640 121.587 119.950 -0.004 0.000 2.171 171 F HA 0.016 4.544 4.527 0.000 0.000 0.300 171 F C 2.302 178.004 175.800 -0.164 0.000 1.090 171 F CA 1.371 59.227 58.000 -0.240 0.000 1.293 171 F CB -0.879 38.022 39.000 -0.167 0.000 1.013 171 F HN 0.731 nan 8.300 nan 0.000 0.486 172 A N 0.059 122.887 122.820 0.014 0.000 1.877 172 A HA -0.223 4.097 4.320 0.000 0.000 0.216 172 A C 2.075 179.569 177.584 -0.151 0.000 1.186 172 A CA 1.841 53.840 52.037 -0.063 0.000 0.620 172 A CB -1.011 18.018 19.000 0.049 0.000 0.822 172 A HN 0.466 nan 8.150 nan 0.000 0.443 173 E N -0.333 119.830 120.200 -0.062 0.000 2.058 173 E HA -0.140 4.210 4.350 0.000 0.000 0.194 173 E C 1.889 178.450 176.600 -0.065 0.000 0.997 173 E CA 1.603 57.995 56.400 -0.013 0.000 0.801 173 E CB -0.264 29.495 29.700 0.097 0.000 0.746 173 E HN 0.296 nan 8.360 nan 0.000 0.450 174 V N 0.661 120.471 119.914 -0.172 0.000 2.358 174 V HA -0.208 3.912 4.120 0.000 0.000 0.246 174 V C 2.368 178.237 176.094 -0.376 0.000 1.047 174 V CA 2.080 64.215 62.300 -0.275 0.000 1.035 174 V CB -0.536 31.032 31.823 -0.425 0.000 0.658 174 V HN 0.344 nan 8.190 nan 0.000 0.452 175 E N 0.759 120.600 120.200 -0.599 0.000 2.077 175 E HA -0.234 4.116 4.350 0.000 0.000 0.193 175 E C 2.402 178.851 176.600 -0.251 0.000 0.989 175 E CA 1.683 57.773 56.400 -0.518 0.000 0.800 175 E CB -0.102 29.192 29.700 -0.676 0.000 0.746 175 E HN 0.720 nan 8.360 nan 0.000 0.452 176 S N 0.260 115.848 115.700 -0.187 0.000 2.402 176 S HA -0.099 4.371 4.470 0.000 0.000 0.229 176 S C 1.953 176.508 174.600 -0.074 0.000 1.021 176 S CA 0.465 58.606 58.200 -0.098 0.000 0.974 176 S CB -0.196 62.966 63.200 -0.063 0.000 0.800 176 S HN 0.183 nan 8.310 nan 0.000 0.484 177 R N 0.671 121.123 120.500 -0.080 0.000 2.073 177 R HA 0.234 4.574 4.340 0.000 0.000 0.229 177 R C 1.766 178.033 176.300 -0.055 0.000 1.120 177 R CA 1.270 57.339 56.100 -0.052 0.000 0.967 177 R CB -0.462 29.812 30.300 -0.043 0.000 0.862 177 R HN 0.471 nan 8.270 nan 0.000 0.436 178 L N -1.087 120.089 121.223 -0.079 0.000 2.966 178 L HA 0.269 4.609 4.340 0.000 0.000 0.262 178 L C 0.764 177.606 176.870 -0.047 0.000 1.165 178 L CA 0.080 54.890 54.840 -0.051 0.000 0.978 178 L CB 0.706 42.736 42.059 -0.048 0.000 1.337 178 L HN 0.280 nan 8.230 nan 0.000 0.563 179 G N 1.336 110.091 108.800 -0.075 0.000 2.806 179 G HA2 -0.254 3.707 3.960 0.000 0.000 0.236 179 G HA3 -0.254 3.707 3.960 0.000 0.000 0.236 179 G C -0.873 173.987 174.900 -0.066 0.000 1.387 179 G CA -0.507 44.555 45.100 -0.063 0.000 0.884 179 G HN 0.045 nan 8.290 nan 0.000 0.560 180 L N 1.282 122.483 121.223 -0.037 0.000 2.354 180 L HA 0.637 4.978 4.340 0.000 0.000 0.269 180 L C -1.539 175.327 176.870 -0.008 0.000 1.005 180 L CA -1.814 53.015 54.840 -0.019 0.000 0.819 180 L CB 2.317 44.384 42.059 0.013 0.000 1.311 180 L HN 0.711 nan 8.230 nan 0.000 0.423 181 P HA 0.485 nan 4.420 nan 0.000 0.278 181 P C -1.379 175.887 177.300 -0.057 0.000 1.258 181 P CA -0.504 62.560 63.100 -0.061 0.000 0.811 181 P CB 1.190 32.811 31.700 -0.132 0.000 1.063 182 L N 0.189 121.351 121.223 -0.101 0.000 2.333 182 L HA 0.522 4.862 4.340 0.000 0.000 0.269 182 L C -0.289 176.479 176.870 -0.170 0.000 1.010 182 L CA -0.827 54.010 54.840 -0.005 0.000 0.818 182 L CB 1.260 43.359 42.059 0.066 0.000 1.306 182 L HN 0.258 nan 8.230 nan 0.000 0.430 183 F N 0.873 120.864 119.950 0.067 0.000 2.480 183 F HA 0.623 5.150 4.527 0.000 0.000 0.329 183 F C -0.109 175.735 175.800 0.074 0.000 1.091 183 F CA -0.874 57.167 58.000 0.067 0.000 0.972 183 F CB 2.058 41.087 39.000 0.050 0.000 1.150 183 F HN -0.046 nan 8.300 nan 0.000 0.467 184 V N 3.647 123.691 119.914 0.216 0.000 2.531 184 V HA 0.524 4.644 4.120 0.000 0.000 0.301 184 V C -0.790 175.366 176.094 0.103 0.000 1.034 184 V CA -0.897 61.476 62.300 0.123 0.000 0.865 184 V CB 1.913 33.772 31.823 0.061 0.000 0.995 184 V HN 0.761 nan 8.190 nan 0.000 0.424 185 K N 4.665 125.094 120.400 0.049 0.000 2.532 185 K HA 0.645 4.966 4.320 0.000 0.000 0.265 185 K C -3.301 173.273 176.600 -0.042 0.000 0.948 185 K CA -2.009 54.289 56.287 0.020 0.000 0.842 185 K CB 2.525 35.043 32.500 0.030 0.000 1.392 185 K HN 0.265 nan 8.250 nan 0.000 0.436 186 P HA -0.002 nan 4.420 nan 0.000 0.271 186 P C 0.241 177.505 177.300 -0.060 0.000 1.218 186 P CA -0.075 62.984 63.100 -0.068 0.000 0.780 186 P CB 0.892 32.592 31.700 0.000 0.000 0.901 187 A N 3.050 125.833 122.820 -0.063 0.000 1.969 187 A HA -0.124 4.196 4.320 0.000 0.000 0.218 187 A C 0.929 178.493 177.584 -0.033 0.000 1.169 187 A CA 1.401 53.413 52.037 -0.040 0.000 0.635 187 A CB -1.004 17.986 19.000 -0.016 0.000 0.810 187 A HN 0.641 nan 8.150 nan 0.000 0.445 188 N N -0.359 118.325 118.700 -0.027 0.000 2.818 188 N HA 0.238 4.978 4.740 0.000 0.000 0.301 188 N C 0.102 175.596 175.510 -0.028 0.000 1.821 188 N CA -0.204 52.834 53.050 -0.020 0.000 0.930 188 N CB 0.774 39.258 38.487 -0.004 0.000 1.263 188 N HN 0.282 nan 8.380 nan 0.000 0.487 189 Q N 0.065 119.837 119.800 -0.046 0.000 3.083 189 Q HA 0.707 5.047 4.340 0.000 0.000 0.205 189 Q C -0.075 175.892 176.000 -0.055 0.000 1.165 189 Q CA -0.468 55.294 55.803 -0.068 0.000 0.365 189 Q CB 0.921 29.580 28.738 -0.131 0.000 5.649 189 Q HN 0.342 nan 8.270 nan 0.000 0.298 190 G N -0.150 108.610 108.800 -0.067 0.000 2.378 190 G HA2 0.318 4.278 3.960 0.000 0.000 0.302 190 G HA3 0.318 4.278 3.960 0.000 0.000 0.302 190 G C -0.606 174.269 174.900 -0.041 0.000 1.669 190 G CA 0.473 45.545 45.100 -0.045 0.000 0.920 190 G HN 1.154 nan 8.290 nan 0.000 0.697 191 S N 0.339 116.021 115.700 -0.032 0.000 3.749 191 S HA -0.149 4.322 4.470 0.000 0.000 0.348 191 S C 1.429 176.031 174.600 0.003 0.000 1.045 191 S CA 1.396 59.583 58.200 -0.022 0.000 1.051 191 S CB -1.870 61.323 63.200 -0.012 0.000 0.898 191 S HN 2.624 nan 8.310 nan 0.000 0.472 192 S N -2.615 113.086 115.700 0.002 0.000 2.884 192 S HA -0.266 4.204 4.470 0.000 0.000 0.274 192 S C 0.827 175.518 174.600 0.152 0.000 1.308 192 S CA 1.243 59.470 58.200 0.045 0.000 1.340 192 S CB -2.094 61.109 63.200 0.005 0.000 1.657 192 S HN 2.400 nan 8.310 nan 0.000 0.699 193 V N 1.556 121.545 119.914 0.126 0.000 2.509 193 V HA 0.394 4.514 4.120 0.000 0.000 0.297 193 V C 1.349 177.301 176.094 -0.237 0.000 1.014 193 V CA 1.680 63.974 62.300 -0.010 0.000 1.127 193 V CB 0.070 31.708 31.823 -0.308 0.000 0.925 193 V HN 1.566 nan 8.190 nan 0.000 0.480 194 G N 3.769 112.479 108.800 -0.151 0.000 2.176 194 G HA2 -0.191 3.769 3.960 0.000 0.000 0.253 194 G HA3 -0.191 3.769 3.960 0.000 0.000 0.253 194 G C 0.034 174.988 174.900 0.090 0.000 0.979 194 G CA 0.017 45.096 45.100 -0.035 0.000 0.641 194 G HN 1.440 nan 8.290 nan 0.000 0.530 195 V N 1.553 121.551 119.914 0.140 0.000 2.461 195 V HA 0.653 4.773 4.120 0.000 0.000 0.275 195 V C 0.401 176.611 176.094 0.194 0.000 1.047 195 V CA 0.251 62.646 62.300 0.159 0.000 0.955 195 V CB 1.548 33.462 31.823 0.152 0.000 0.988 195 V HN 0.429 nan 8.190 nan 0.000 0.471 196 S N 3.897 119.699 115.700 0.170 0.000 2.536 196 S HA 0.583 5.053 4.470 0.000 0.000 0.287 196 S C -0.602 174.015 174.600 0.028 0.000 1.101 196 S CA -1.086 57.183 58.200 0.114 0.000 0.950 196 S CB 1.900 65.151 63.200 0.085 0.000 1.056 196 S HN 0.866 nan 8.310 nan 0.000 0.481 197 K N 0.527 120.862 120.400 -0.110 0.000 2.130 197 K HA 0.729 5.049 4.320 0.000 0.000 0.268 197 K C -1.288 175.169 176.600 -0.240 0.000 0.983 197 K CA -0.568 55.432 56.287 -0.478 0.000 0.893 197 K CB 1.075 33.062 32.500 -0.855 0.000 1.066 197 K HN 0.305 nan 8.250 nan 0.000 0.450 198 V N 2.692 122.472 119.914 -0.225 0.000 2.531 198 V HA 0.526 4.646 4.120 0.000 0.000 0.301 198 V C 0.042 176.134 176.094 -0.004 0.000 1.034 198 V CA -0.370 61.917 62.300 -0.021 0.000 0.865 198 V CB 1.310 33.224 31.823 0.152 0.000 0.995 198 V HN 1.045 nan 8.190 nan 0.000 0.424 199 A N 4.522 127.357 122.820 0.026 0.000 2.419 199 A HA 0.461 4.781 4.320 0.000 0.000 0.233 199 A C 0.475 178.122 177.584 0.105 0.000 1.217 199 A CA 0.492 52.558 52.037 0.049 0.000 0.944 199 A CB -0.065 18.936 19.000 0.001 0.000 1.025 199 A HN 0.972 nan 8.150 nan 0.000 0.524 200 N N -2.377 116.359 118.700 0.061 0.000 2.934 200 N HA 0.224 4.964 4.740 0.000 0.000 0.253 200 N C 0.097 175.237 175.510 -0.616 0.000 1.466 200 N CA -0.104 52.855 53.050 -0.153 0.000 0.858 200 N CB 0.438 38.840 38.487 -0.140 0.000 1.459 200 N HN -0.065 nan 8.380 nan 0.000 0.532 201 E N -0.238 119.186 120.200 -1.294 0.000 2.110 201 E HA -0.184 4.167 4.350 0.000 0.000 0.193 201 E C 1.679 178.064 176.600 -0.359 0.000 0.988 201 E CA 1.655 57.282 56.400 -1.289 0.000 0.804 201 E CB -0.324 28.797 29.700 -0.965 0.000 0.745 201 E HN 0.612 nan 8.360 nan 0.000 0.458 202 A N 0.873 123.552 122.820 -0.236 0.000 1.859 202 A HA -0.314 4.006 4.320 0.000 0.000 0.217 202 A C 2.145 179.708 177.584 -0.036 0.000 1.198 202 A CA 2.016 53.998 52.037 -0.092 0.000 0.629 202 A CB -0.807 18.150 19.000 -0.073 0.000 0.830 202 A HN 0.381 nan 8.150 nan 0.000 0.446 203 Q N -2.163 117.617 119.800 -0.033 0.000 2.030 203 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 203 Q C 2.059 178.103 176.000 0.073 0.000 0.986 203 Q CA 1.924 57.738 55.803 0.019 0.000 0.843 203 Q CB -0.429 28.321 28.738 0.020 0.000 0.904 203 Q HN 0.799 nan 8.270 nan 0.000 0.420 204 Y N 1.416 121.720 120.300 0.008 0.000 2.139 204 Y HA -0.354 4.196 4.550 0.000 0.000 0.282 204 Y C 2.332 178.296 175.900 0.108 0.000 1.179 204 Y CA 2.161 60.331 58.100 0.116 0.000 1.161 204 Y CB -0.062 38.575 38.460 0.295 0.000 0.970 204 Y HN 0.094 nan 8.280 nan 0.000 0.511 205 Q N -0.100 119.711 119.800 0.018 0.000 2.137 205 Q HA -0.125 4.216 4.340 0.000 0.000 0.198 205 Q C 2.413 178.386 176.000 -0.046 0.000 0.960 205 Q CA 1.708 57.495 55.803 -0.028 0.000 0.847 205 Q CB -0.275 28.510 28.738 0.079 0.000 0.915 205 Q HN 0.670 nan 8.270 nan 0.000 0.448 206 Q N -0.784 119.006 119.800 -0.017 0.000 2.050 206 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 206 Q C 1.866 177.858 176.000 -0.014 0.000 0.980 206 Q CA 1.665 57.466 55.803 -0.003 0.000 0.840 206 Q CB -0.295 28.449 28.738 0.010 0.000 0.898 206 Q HN 0.437 nan 8.270 nan 0.000 0.424 207 A N -0.274 122.525 122.820 -0.036 0.000 1.917 207 A HA -0.209 4.111 4.320 0.000 0.000 0.219 207 A C 2.216 179.763 177.584 -0.063 0.000 1.182 207 A CA 1.900 53.917 52.037 -0.033 0.000 0.633 207 A CB -0.930 18.051 19.000 -0.032 0.000 0.819 207 A HN 0.331 nan 8.150 nan 0.000 0.448 208 V N -0.535 119.284 119.914 -0.158 0.000 2.379 208 V HA -0.168 3.952 4.120 0.000 0.000 0.245 208 V C 3.047 179.198 176.094 0.094 0.000 1.044 208 V CA 1.799 64.038 62.300 -0.102 0.000 1.036 208 V CB -1.159 30.540 31.823 -0.206 0.000 0.664 208 V HN 0.636 nan 8.190 nan 0.000 0.453 209 A N -0.110 122.754 122.820 0.074 0.000 1.902 209 A HA -0.211 4.110 4.320 0.000 0.000 0.217 209 A C 2.166 179.800 177.584 0.083 0.000 1.181 209 A CA 2.142 54.244 52.037 0.108 0.000 0.623 209 A CB -0.607 18.424 19.000 0.051 0.000 0.818 209 A HN 0.444 nan 8.150 nan 0.000 0.443 210 L N -0.134 121.121 121.223 0.052 0.000 1.989 210 L HA -0.112 4.228 4.340 0.000 0.000 0.211 210 L C 2.720 179.648 176.870 0.098 0.000 1.071 210 L CA 2.429 57.302 54.840 0.056 0.000 0.749 210 L CB -0.846 41.276 42.059 0.105 0.000 0.890 210 L HN 0.347 nan 8.230 nan 0.000 0.431 211 A N -1.122 121.758 122.820 0.101 0.000 1.940 211 A HA -0.242 4.078 4.320 0.000 0.000 0.219 211 A C 2.185 179.774 177.584 0.009 0.000 1.176 211 A CA 1.952 54.041 52.037 0.085 0.000 0.631 211 A CB -1.275 17.685 19.000 -0.067 0.000 0.814 211 A HN 0.520 nan 8.150 nan 0.000 0.446 212 F N 0.329 120.283 119.950 0.006 0.000 2.641 212 F HA -0.081 4.446 4.527 0.000 0.000 0.298 212 F C 2.203 177.940 175.800 -0.105 0.000 1.146 212 F CA 1.035 59.018 58.000 -0.028 0.000 1.464 212 F CB 0.004 38.990 39.000 -0.022 0.000 1.101 212 F HN 0.369 nan 8.300 nan 0.000 0.585 213 E N -0.734 119.424 120.200 -0.070 0.000 2.208 213 E HA -0.139 4.212 4.350 0.000 0.000 0.193 213 E C 1.275 177.593 176.600 -0.470 0.000 0.988 213 E CA 0.927 57.113 56.400 -0.358 0.000 0.828 213 E CB -0.074 29.221 29.700 -0.676 0.000 0.763 213 E HN 0.423 nan 8.360 nan 0.000 0.478 214 F N -0.132 119.795 119.950 -0.039 0.000 2.717 214 F HA 0.249 4.776 4.527 0.000 0.000 0.297 214 F C 0.675 176.398 175.800 -0.128 0.000 1.113 214 F CA -0.045 57.909 58.000 -0.076 0.000 1.319 214 F CB 0.765 39.722 39.000 -0.072 0.000 1.097 214 F HN -0.194 nan 8.300 nan 0.000 0.595 215 D N -2.452 117.942 120.400 -0.011 0.000 2.615 215 D HA 0.201 4.841 4.640 0.000 0.000 0.267 215 D C -0.275 175.948 176.300 -0.129 0.000 1.236 215 D CA -0.490 53.425 54.000 -0.142 0.000 0.839 215 D CB 0.921 41.684 40.800 -0.062 0.000 1.380 215 D HN 0.014 nan 8.370 nan 0.000 0.433 216 H N -0.263 118.896 119.070 0.149 0.000 2.539 216 H HA 0.316 4.872 4.556 0.000 0.000 0.269 216 H C -0.122 175.360 175.328 0.257 0.000 0.980 216 H CA 0.327 56.528 56.048 0.255 0.000 1.152 216 H CB 0.679 30.541 29.762 0.166 0.000 1.407 216 H HN -0.233 nan 8.280 nan 0.000 0.564 217 K N 0.972 121.448 120.400 0.126 0.000 2.427 217 K HA 0.502 4.823 4.320 0.000 0.000 0.252 217 K C -1.430 175.026 176.600 -0.240 0.000 0.931 217 K CA -0.680 55.611 56.287 0.006 0.000 0.793 217 K CB 3.448 35.986 32.500 0.064 0.000 1.211 217 K HN -0.161 nan 8.250 nan 0.000 0.426 218 V N 2.732 122.420 119.914 -0.375 0.000 2.588 218 V HA 0.380 4.500 4.120 0.000 0.000 0.304 218 V C -0.629 175.379 176.094 -0.143 0.000 1.042 218 V CA -0.967 61.102 62.300 -0.385 0.000 0.877 218 V CB 1.990 33.377 31.823 -0.728 0.000 0.996 218 V HN 0.467 nan 8.190 nan 0.000 0.425 219 V N 5.192 125.069 119.914 -0.061 0.000 2.427 219 V HA 0.526 4.646 4.120 0.000 0.000 0.286 219 V C -0.327 175.805 176.094 0.064 0.000 1.034 219 V CA -0.417 61.909 62.300 0.043 0.000 0.893 219 V CB 1.963 33.798 31.823 0.021 0.000 0.982 219 V HN 0.618 nan 8.190 nan 0.000 0.452 220 V N 5.759 125.742 119.914 0.115 0.000 2.407 220 V HA 0.533 4.653 4.120 0.000 0.000 0.291 220 V C -0.283 175.918 176.094 0.177 0.000 1.018 220 V CA -0.566 61.816 62.300 0.136 0.000 0.842 220 V CB 1.634 33.530 31.823 0.122 0.000 0.996 220 V HN 1.040 nan 8.190 nan 0.000 0.426 221 E N 3.337 123.658 120.200 0.201 0.000 2.343 221 E HA 0.501 4.851 4.350 0.000 0.000 0.270 221 E C -0.755 175.967 176.600 0.203 0.000 0.895 221 E CA -1.014 55.515 56.400 0.215 0.000 0.767 221 E CB 2.198 32.018 29.700 0.199 0.000 1.248 221 E HN 0.567 nan 8.360 nan 0.000 0.440 222 Q N 1.262 121.155 119.800 0.155 0.000 2.304 222 Q HA 0.087 4.427 4.340 0.000 0.000 0.301 222 Q C -0.082 176.018 176.000 0.166 0.000 1.063 222 Q CA 0.316 56.194 55.803 0.124 0.000 0.947 222 Q CB 0.444 29.230 28.738 0.081 0.000 1.201 222 Q HN 0.721 nan 8.270 nan 0.000 0.389 223 G N 4.689 113.605 108.800 0.193 0.000 2.378 223 G HA2 0.353 4.314 3.960 0.000 0.000 0.255 223 G HA3 0.353 4.314 3.960 0.000 0.000 0.255 223 G C -0.413 174.501 174.900 0.023 0.000 1.270 223 G CA -0.528 44.731 45.100 0.266 0.000 0.876 223 G HN 0.577 nan 8.290 nan 0.000 0.521 224 I N 1.372 121.824 120.570 -0.196 0.000 2.412 224 I HA 0.341 4.511 4.170 0.000 0.000 0.296 224 I C 0.093 175.999 176.117 -0.351 0.000 0.987 224 I CA -1.172 59.953 61.300 -0.292 0.000 1.180 224 I CB 1.913 39.639 38.000 -0.457 0.000 1.340 224 I HN 0.378 nan 8.210 nan 0.000 0.455 225 K N 3.566 123.856 120.400 -0.185 0.000 2.240 225 K HA 0.739 5.059 4.320 0.000 0.000 0.271 225 K C 0.048 176.583 176.600 -0.108 0.000 1.018 225 K CA -0.280 55.927 56.287 -0.133 0.000 0.874 225 K CB 1.873 34.338 32.500 -0.057 0.000 1.098 225 K HN 0.949 nan 8.250 nan 0.000 0.458 226 G N 1.751 110.495 108.800 -0.093 0.000 2.328 226 G HA2 0.190 4.151 3.960 0.000 0.000 0.295 226 G HA3 0.190 4.151 3.960 0.000 0.000 0.295 226 G C -1.480 173.449 174.900 0.048 0.000 1.413 226 G CA -1.120 43.979 45.100 -0.001 0.000 0.817 226 G HN 0.459 nan 8.290 nan 0.000 0.546 227 R N 0.066 120.608 120.500 0.071 0.000 2.582 227 R HA 0.433 4.773 4.340 0.000 0.000 0.271 227 R C -0.356 176.026 176.300 0.137 0.000 1.078 227 R CA -0.325 55.821 56.100 0.075 0.000 1.127 227 R CB 0.969 31.291 30.300 0.037 0.000 1.038 227 R HN 0.472 nan 8.270 nan 0.000 0.500 228 E N 2.576 122.840 120.200 0.107 0.000 2.081 228 E HA 0.244 4.594 4.350 0.000 0.000 0.276 228 E C -0.467 176.125 176.600 -0.013 0.000 0.950 228 E CA -0.375 56.067 56.400 0.070 0.000 0.776 228 E CB 1.133 30.874 29.700 0.067 0.000 1.094 228 E HN 0.217 nan 8.360 nan 0.000 0.402 229 I N 2.584 123.123 120.570 -0.052 0.000 2.474 229 I HA 0.316 4.487 4.170 0.000 0.000 0.294 229 I C 0.261 176.318 176.117 -0.100 0.000 1.005 229 I CA -0.611 60.649 61.300 -0.066 0.000 1.113 229 I CB 1.624 39.592 38.000 -0.053 0.000 1.289 229 I HN 0.459 nan 8.210 nan 0.000 0.436 230 E N 3.477 123.618 120.200 -0.099 0.000 2.299 230 E HA 0.611 4.962 4.350 0.000 0.000 0.265 230 E C -1.421 175.103 176.600 -0.126 0.000 0.911 230 E CA -0.615 55.722 56.400 -0.104 0.000 0.789 230 E CB 3.134 32.780 29.700 -0.090 0.000 1.246 230 E HN 0.602 nan 8.360 nan 0.000 0.427 231 C N 1.229 120.456 119.300 -0.121 0.000 2.782 231 C HA 0.749 5.209 4.460 0.000 0.000 0.328 231 C C -1.090 173.801 174.990 -0.164 0.000 1.145 231 C CA -0.255 58.655 59.018 -0.181 0.000 1.358 231 C CB 0.413 28.064 27.740 -0.148 0.000 1.841 231 C HN 0.824 nan 8.230 nan 0.000 0.477 232 A N 4.841 127.443 122.820 -0.363 0.000 2.249 232 A HA 0.697 5.018 4.320 0.000 0.000 0.314 232 A C -0.599 176.923 177.584 -0.103 0.000 1.290 232 A CA -0.276 51.546 52.037 -0.359 0.000 0.893 232 A CB 0.599 18.910 19.000 -1.149 0.000 1.165 232 A HN 1.065 nan 8.150 nan 0.000 0.530 233 V N 3.444 123.524 119.914 0.275 0.000 2.483 233 V HA 0.545 4.665 4.120 0.000 0.000 0.295 233 V C -0.430 175.887 176.094 0.373 0.000 1.035 233 V CA -0.528 61.870 62.300 0.162 0.000 0.896 233 V CB 1.365 33.040 31.823 -0.247 0.000 0.986 233 V HN 0.813 nan 8.190 nan 0.000 0.447 234 L N 3.868 125.255 121.223 0.274 0.000 2.410 234 L HA 1.035 5.375 4.340 0.000 0.000 0.270 234 L C -0.025 176.832 176.870 -0.021 0.000 0.983 234 L CA 0.813 55.745 54.840 0.152 0.000 0.822 234 L CB 1.589 43.590 42.059 -0.097 0.000 1.285 234 L HN 1.005 nan 8.230 nan 0.000 0.409 235 G N 3.144 111.963 108.800 0.032 0.000 2.353 235 G HA2 0.001 3.961 3.960 0.000 0.000 0.424 235 G HA3 0.001 3.961 3.960 0.000 0.000 0.424 235 G C -0.861 174.119 174.900 0.133 0.000 1.320 235 G CA -0.174 44.943 45.100 0.029 0.000 0.995 235 G HN 0.632 nan 8.290 nan 0.000 0.580 236 N N -0.689 118.067 118.700 0.092 0.000 3.048 236 N HA 0.150 4.890 4.740 0.000 0.000 0.225 236 N C 1.130 176.704 175.510 0.106 0.000 1.103 236 N CA 0.767 53.879 53.050 0.105 0.000 1.182 236 N CB 0.076 38.584 38.487 0.035 0.000 1.553 236 N HN 0.476 nan 8.380 nan 0.000 0.584 237 D N 0.388 120.823 120.400 0.057 0.000 2.323 237 D HA 0.003 4.643 4.640 0.000 0.000 0.209 237 D C -0.000 176.327 176.300 0.046 0.000 0.973 237 D CA 0.774 54.805 54.000 0.051 0.000 0.874 237 D CB 0.021 40.837 40.800 0.027 0.000 0.930 237 D HN 0.102 nan 8.370 nan 0.000 0.521 238 N N 1.157 119.877 118.700 0.032 0.000 2.918 238 N HA 0.143 4.883 4.740 0.000 0.000 0.270 238 N C -2.736 172.772 175.510 -0.003 0.000 1.536 238 N CA -1.663 51.396 53.050 0.016 0.000 0.877 238 N CB 0.962 39.453 38.487 0.007 0.000 1.190 238 N HN -0.121 nan 8.380 nan 0.000 0.492 239 P HA 0.073 nan 4.420 nan 0.000 0.267 239 P C -0.728 176.526 177.300 -0.076 0.000 1.205 239 P CA 0.112 63.136 63.100 -0.126 0.000 0.765 239 P CB 0.895 32.426 31.700 -0.281 0.000 0.828 240 Q N 1.157 120.944 119.800 -0.022 0.000 2.309 240 Q HA 0.651 4.991 4.340 0.000 0.000 0.264 240 Q C -0.461 175.663 176.000 0.207 0.000 1.008 240 Q CA -0.820 55.047 55.803 0.106 0.000 0.853 240 Q CB 2.783 31.625 28.738 0.173 0.000 1.314 240 Q HN 0.514 nan 8.270 nan 0.000 0.448 241 A N 1.630 124.513 122.820 0.105 0.000 2.288 241 A HA 0.566 4.887 4.320 0.000 0.000 0.320 241 A C 0.398 177.792 177.584 -0.316 0.000 1.217 241 A CA -0.482 51.510 52.037 -0.075 0.000 0.840 241 A CB 0.609 19.549 19.000 -0.101 0.000 1.179 241 A HN 0.792 nan 8.150 nan 0.000 0.504 242 S N 1.902 117.048 115.700 -0.923 0.000 2.606 242 S HA 0.335 4.805 4.470 0.000 0.000 0.257 242 S C 0.745 175.006 174.600 -0.565 0.000 1.327 242 S CA 0.447 57.904 58.200 -1.239 0.000 0.984 242 S CB 0.228 62.314 63.200 -1.857 0.000 0.941 242 S HN 0.977 nan 8.310 nan 0.000 0.576 243 T N -0.381 113.905 114.554 -0.446 0.000 2.802 243 T HA 0.214 4.564 4.350 0.000 0.000 0.305 243 T C 0.190 174.718 174.700 -0.287 0.000 1.053 243 T CA -0.406 61.529 62.100 -0.275 0.000 1.058 243 T CB -0.517 68.234 68.868 -0.194 0.000 0.988 243 T HN 0.756 nan 8.240 nan 0.000 0.539 244 C N 1.907 121.089 119.300 -0.196 0.000 2.443 244 C HA 0.811 5.272 4.460 0.000 0.000 0.369 244 C C 1.059 175.961 174.990 -0.147 0.000 1.241 244 C CA -0.500 58.416 59.018 -0.169 0.000 2.413 244 C CB 0.418 28.085 27.740 -0.120 0.000 2.451 244 C HN 1.006 nan 8.230 nan 0.000 0.595 245 G N 0.453 109.173 108.800 -0.133 0.000 2.563 245 G HA2 0.611 4.571 3.960 0.000 0.000 0.302 245 G HA3 0.611 4.571 3.960 0.000 0.000 0.302 245 G C -1.840 173.012 174.900 -0.080 0.000 1.301 245 G CA -0.189 44.847 45.100 -0.107 0.000 0.965 245 G HN 0.785 nan 8.290 nan 0.000 0.480 246 E N 0.497 120.660 120.200 -0.061 0.000 2.183 246 E HA 0.612 4.962 4.350 0.000 0.000 0.271 246 E C -1.148 175.429 176.600 -0.039 0.000 0.919 246 E CA -0.754 55.620 56.400 -0.044 0.000 0.781 246 E CB 2.033 31.715 29.700 -0.030 0.000 1.140 246 E HN 0.390 nan 8.360 nan 0.000 0.402 247 I N 4.188 124.739 120.570 -0.032 0.000 2.509 247 I HA 0.378 4.548 4.170 0.000 0.000 0.293 247 I C -1.506 174.607 176.117 -0.007 0.000 1.020 247 I CA -0.941 60.343 61.300 -0.026 0.000 1.088 247 I CB 1.661 39.639 38.000 -0.036 0.000 1.267 247 I HN 0.338 nan 8.210 nan 0.000 0.430 248 V N 8.191 128.103 119.914 -0.004 0.000 2.349 248 V HA 0.410 4.530 4.120 0.000 0.000 0.284 248 V C -0.281 175.821 176.094 0.013 0.000 1.014 248 V CA -0.486 61.819 62.300 0.010 0.000 0.826 248 V CB 1.284 33.112 31.823 0.008 0.000 1.009 248 V HN 0.506 nan 8.190 nan 0.000 0.431 249 L N 5.504 126.741 121.223 0.023 0.000 2.307 249 L HA 0.612 4.953 4.340 0.000 0.000 0.284 249 L C -0.071 176.824 176.870 0.042 0.000 1.023 249 L CA -0.466 54.391 54.840 0.028 0.000 0.810 249 L CB 1.940 44.015 42.059 0.026 0.000 1.231 249 L HN 0.814 nan 8.230 nan 0.000 0.423 250 N N -0.264 118.469 118.700 0.055 0.000 2.471 250 N HA 0.259 4.999 4.740 0.000 0.000 0.288 250 N C 0.240 175.783 175.510 0.054 0.000 1.220 250 N CA -0.699 52.383 53.050 0.054 0.000 0.893 250 N CB 1.384 39.903 38.487 0.054 0.000 1.256 250 N HN 0.399 nan 8.380 nan 0.000 0.534 251 S N -1.735 113.982 115.700 0.029 0.000 2.631 251 S HA 0.098 4.568 4.470 0.000 0.000 0.217 251 S C 0.471 175.047 174.600 -0.040 0.000 0.958 251 S CA -0.147 58.061 58.200 0.013 0.000 0.920 251 S CB -0.565 62.642 63.200 0.010 0.000 0.776 251 S HN 0.663 nan 8.310 nan 0.000 0.517 252 E N -0.120 120.034 120.200 -0.076 0.000 2.385 252 E HA 0.210 4.560 4.350 0.000 0.000 0.194 252 E C -0.534 175.768 176.600 -0.496 0.000 1.013 252 E CA 0.443 56.668 56.400 -0.292 0.000 0.866 252 E CB 0.185 29.650 29.700 -0.393 0.000 0.832 252 E HN 0.553 nan 8.360 nan 0.000 0.500 257 D N 2.213 122.661 120.400 0.081 0.000 2.378 257 D HA 0.030 4.670 4.640 0.000 0.000 0.227 257 D C 0.788 177.066 176.300 -0.036 0.000 1.012 257 D CA 1.788 55.846 54.000 0.097 0.000 0.905 257 D CB 0.159 41.026 40.800 0.112 0.000 0.895 257 D HN 0.537 nan 8.370 nan 0.000 0.532 258 T N -2.744 111.670 114.554 -0.233 0.000 3.884 258 T HA 0.167 4.518 4.350 0.000 0.000 0.284 258 T C 0.523 174.883 174.700 -0.567 0.000 0.961 258 T CA -0.768 60.924 62.100 -0.680 0.000 1.071 258 T CB -0.179 68.365 68.868 -0.539 0.000 1.121 258 T HN -0.085 nan 8.240 nan 0.000 0.496 259 K N 0.745 120.969 120.400 -0.293 0.000 2.546 259 K HA 0.178 4.498 4.320 0.000 0.000 0.198 259 K C 0.748 177.328 176.600 -0.033 0.000 1.028 259 K CA -0.148 56.069 56.287 -0.117 0.000 1.150 259 K CB -0.989 31.518 32.500 0.013 0.000 0.876 259 K HN 0.709 nan 8.250 nan 0.000 0.508 260 Y N -1.409 118.916 120.300 0.041 0.000 2.458 260 Y HA 0.475 5.026 4.550 0.001 0.000 0.256 260 Y C -0.246 175.676 175.900 0.037 0.000 1.159 260 Y CA -1.504 56.627 58.100 0.053 0.000 1.261 260 Y CB -0.030 38.465 38.460 0.060 0.000 1.119 260 Y HN -0.134 nan 8.280 nan 0.000 0.524 261 I N 1.217 121.692 120.570 -0.157 0.000 2.474 261 I HA 0.222 4.392 4.170 0.000 0.000 0.294 261 I C -0.435 175.632 176.117 -0.084 0.000 1.005 261 I CA -0.940 60.315 61.300 -0.076 0.000 1.113 261 I CB 1.192 39.111 38.000 -0.135 0.000 1.289 261 I HN -0.094 nan 8.210 nan 0.000 0.436 262 D N 4.359 124.734 120.400 -0.043 0.000 2.443 262 D HA 0.030 4.670 4.640 0.000 0.000 0.239 262 D C 0.228 176.481 176.300 -0.079 0.000 1.136 262 D CA 0.907 54.869 54.000 -0.064 0.000 0.879 262 D CB 0.467 41.235 40.800 -0.052 0.000 1.195 262 D HN 0.577 nan 8.370 nan 0.000 0.443 263 D N 2.076 122.423 120.400 -0.088 0.000 3.012 263 D HA -0.270 4.370 4.640 0.000 0.000 0.222 263 D C -0.340 175.904 176.300 -0.092 0.000 1.167 263 D CA 0.906 54.856 54.000 -0.082 0.000 0.854 263 D CB -1.688 39.071 40.800 -0.068 0.000 1.107 263 D HN 0.755 nan 8.370 nan 0.000 0.421 264 N N -0.855 117.775 118.700 -0.116 0.000 2.708 264 N HA -0.213 4.527 4.740 0.000 0.000 0.251 264 N C 1.038 176.450 175.510 -0.163 0.000 1.017 264 N CA 1.363 54.318 53.050 -0.158 0.000 0.742 264 N CB -1.269 37.132 38.487 -0.142 0.000 0.943 264 N HN 0.630 nan 8.380 nan 0.000 0.539 265 G N -1.893 106.823 108.800 -0.139 0.000 2.200 265 G HA2 -0.270 3.690 3.960 0.000 0.000 0.268 265 G HA3 -0.270 3.690 3.960 0.000 0.000 0.268 265 G C 0.527 175.369 174.900 -0.095 0.000 0.986 265 G CA 0.810 45.837 45.100 -0.122 0.000 0.677 265 G HN 1.111 nan 8.290 nan 0.000 0.532 266 A N -0.569 122.203 122.820 -0.079 0.000 2.475 266 A HA 0.483 4.804 4.320 0.000 0.000 0.239 266 A C 0.839 178.399 177.584 -0.040 0.000 1.087 266 A CA 0.977 52.984 52.037 -0.050 0.000 0.779 266 A CB 0.163 19.139 19.000 -0.040 0.000 1.036 266 A HN 0.977 nan 8.150 nan 0.000 0.506 267 Q N 0.143 119.929 119.800 -0.024 0.000 2.274 267 Q HA 0.390 4.730 4.340 0.000 0.000 0.280 267 Q C -1.235 174.751 176.000 -0.024 0.000 1.047 267 Q CA 0.132 55.923 55.803 -0.020 0.000 0.907 267 Q CB 0.328 29.061 28.738 -0.009 0.000 1.171 267 Q HN 0.474 nan 8.270 nan 0.000 0.381 268 V N 5.071 124.968 119.914 -0.028 0.000 2.588 268 V HA 0.475 4.595 4.120 0.000 0.000 0.304 268 V C -0.804 175.271 176.094 -0.031 0.000 1.042 268 V CA -0.703 61.577 62.300 -0.033 0.000 0.877 268 V CB 2.104 33.904 31.823 -0.039 0.000 0.996 268 V HN 0.621 nan 8.190 nan 0.000 0.425 269 V N 5.281 125.173 119.914 -0.036 0.000 2.577 269 V HA 0.613 4.734 4.120 0.000 0.000 0.303 269 V C -0.695 175.371 176.094 -0.048 0.000 1.042 269 V CA -0.607 61.672 62.300 -0.035 0.000 0.872 269 V CB 2.172 33.978 31.823 -0.029 0.000 0.998 269 V HN 0.567 nan 8.190 nan 0.000 0.423 270 V N 6.148 126.033 119.914 -0.048 0.000 2.525 270 V HA 0.522 4.643 4.120 0.000 0.000 0.299 270 V C -2.064 173.998 176.094 -0.053 0.000 1.034 270 V CA -1.170 61.092 62.300 -0.063 0.000 0.863 270 V CB 2.238 34.019 31.823 -0.071 0.000 0.999 270 V HN 0.847 nan 8.190 nan 0.000 0.423 271 P HA 0.463 nan 4.420 nan 0.000 0.276 271 P C -0.341 176.922 177.300 -0.061 0.000 1.244 271 P CA -0.319 62.737 63.100 -0.072 0.000 0.801 271 P CB 1.113 32.772 31.700 -0.069 0.000 1.006 272 A N 2.539 125.318 122.820 -0.067 0.000 2.565 272 A HA 0.010 4.330 4.320 0.000 0.000 0.237 272 A C 0.685 178.243 177.584 -0.042 0.000 1.053 272 A CA -0.024 51.982 52.037 -0.053 0.000 0.755 272 A CB -0.394 18.573 19.000 -0.056 0.000 0.980 272 A HN 0.457 nan 8.150 nan 0.000 0.506 273 Q N 1.693 121.474 119.800 -0.032 0.000 3.026 273 Q HA 0.309 4.649 4.340 0.000 0.000 0.258 273 Q C -0.114 175.873 176.000 -0.022 0.000 1.388 273 Q CA 0.453 56.241 55.803 -0.025 0.000 1.000 273 Q CB -0.848 27.878 28.738 -0.020 0.000 1.634 273 Q HN 0.707 nan 8.270 nan 0.000 0.571 274 I N -2.394 118.160 120.570 -0.026 0.000 3.074 274 I HA 0.719 4.889 4.170 0.000 0.000 0.310 274 I C -2.597 173.506 176.117 -0.023 0.000 1.153 274 I CA -2.926 58.361 61.300 -0.023 0.000 0.993 274 I CB 1.964 39.949 38.000 -0.025 0.000 1.237 274 I HN -0.071 nan 8.210 nan 0.000 0.443 275 P HA 0.226 nan 4.420 nan 0.000 0.274 275 P C 0.526 177.812 177.300 -0.023 0.000 1.237 275 P CA -0.458 62.631 63.100 -0.019 0.000 0.793 275 P CB 1.034 32.726 31.700 -0.014 0.000 0.977 276 S N 0.244 115.930 115.700 -0.023 0.000 2.402 276 S HA -0.165 4.305 4.470 0.000 0.000 0.229 276 S C 1.425 176.010 174.600 -0.025 0.000 1.021 276 S CA 0.814 58.998 58.200 -0.027 0.000 0.974 276 S CB -0.734 62.452 63.200 -0.024 0.000 0.800 276 S HN 0.652 nan 8.310 nan 0.000 0.484 277 E N 1.732 121.920 120.200 -0.019 0.000 2.152 277 E HA -0.047 4.304 4.350 0.000 0.000 0.192 277 E C 2.037 178.626 176.600 -0.018 0.000 0.983 277 E CA 1.022 57.412 56.400 -0.016 0.000 0.818 277 E CB -0.835 28.858 29.700 -0.012 0.000 0.758 277 E HN 0.491 nan 8.360 nan 0.000 0.467 278 V N 2.139 122.042 119.914 -0.018 0.000 2.427 278 V HA -0.243 3.878 4.120 0.000 0.000 0.248 278 V C 2.420 178.497 176.094 -0.028 0.000 1.051 278 V CA 1.959 64.248 62.300 -0.019 0.000 1.048 278 V CB -1.025 30.789 31.823 -0.015 0.000 0.666 278 V HN 0.269 nan 8.190 nan 0.000 0.456 279 N N 0.832 119.510 118.700 -0.036 0.000 2.043 279 N HA -0.200 4.541 4.740 0.000 0.000 0.193 279 N C 1.531 177.010 175.510 -0.051 0.000 1.037 279 N CA 1.953 54.972 53.050 -0.051 0.000 0.851 279 N CB -0.296 38.157 38.487 -0.056 0.000 1.027 279 N HN 0.422 nan 8.380 nan 0.000 0.422 280 D N 0.040 120.416 120.400 -0.041 0.000 2.144 280 D HA -0.161 4.479 4.640 0.000 0.000 0.199 280 D C 1.684 177.966 176.300 -0.030 0.000 0.984 280 D CA 0.781 54.759 54.000 -0.036 0.000 0.834 280 D CB -0.212 40.572 40.800 -0.027 0.000 0.955 280 D HN 0.450 nan 8.370 nan 0.000 0.465 281 K N 0.621 121.006 120.400 -0.025 0.000 2.057 281 K HA -0.102 4.218 4.320 0.000 0.000 0.207 281 K C 2.199 178.786 176.600 -0.023 0.000 1.049 281 K CA 0.764 57.040 56.287 -0.018 0.000 0.931 281 K CB -0.080 32.413 32.500 -0.013 0.000 0.714 281 K HN 0.101 nan 8.250 nan 0.000 0.440 282 I N 0.613 121.163 120.570 -0.033 0.000 2.286 282 I HA -0.237 3.934 4.170 0.000 0.000 0.245 282 I C 2.446 178.535 176.117 -0.048 0.000 1.104 282 I CA 0.947 62.223 61.300 -0.040 0.000 1.397 282 I CB -0.207 37.763 38.000 -0.051 0.000 1.072 282 I HN 0.154 nan 8.210 nan 0.000 0.417 283 R N 0.956 121.420 120.500 -0.059 0.000 2.094 283 R HA -0.214 4.126 4.340 0.000 0.000 0.239 283 R C 2.463 178.738 176.300 -0.041 0.000 1.137 283 R CA 1.847 57.907 56.100 -0.066 0.000 0.943 283 R CB -0.672 29.582 30.300 -0.077 0.000 0.850 283 R HN 0.379 nan 8.270 nan 0.000 0.433 284 A N 1.000 123.803 122.820 -0.027 0.000 1.933 284 A HA -0.141 4.179 4.320 0.000 0.000 0.218 284 A C 2.180 179.762 177.584 -0.003 0.000 1.175 284 A CA 1.264 53.294 52.037 -0.012 0.000 0.628 284 A CB -0.493 18.502 19.000 -0.008 0.000 0.814 284 A HN 0.224 nan 8.150 nan 0.000 0.444 285 I N -0.472 120.094 120.570 -0.006 0.000 2.252 285 I HA -0.258 3.912 4.170 0.000 0.000 0.245 285 I C 2.975 179.098 176.117 0.010 0.000 1.102 285 I CA 0.932 62.233 61.300 0.002 0.000 1.385 285 I CB -0.344 37.653 38.000 -0.005 0.000 1.064 285 I HN 0.377 nan 8.210 nan 0.000 0.414 286 A N 1.110 123.929 122.820 -0.001 0.000 1.908 286 A HA -0.201 4.119 4.320 0.000 0.000 0.218 286 A C 2.268 179.883 177.584 0.052 0.000 1.181 286 A CA 1.571 53.617 52.037 0.015 0.000 0.627 286 A CB -0.809 18.180 19.000 -0.018 0.000 0.818 286 A HN 0.374 nan 8.150 nan 0.000 0.445 287 I N -0.572 120.010 120.570 0.020 0.000 2.226 287 I HA -0.319 3.851 4.170 0.000 0.000 0.245 287 I C 2.807 178.981 176.117 0.095 0.000 1.100 287 I CA 1.533 62.852 61.300 0.032 0.000 1.374 287 I CB -0.394 37.600 38.000 -0.008 0.000 1.057 287 I HN 0.444 nan 8.210 nan 0.000 0.413 288 Q N 0.477 120.316 119.800 0.064 0.000 2.096 288 Q HA -0.228 4.113 4.340 0.000 0.000 0.204 288 Q C 2.471 178.520 176.000 0.082 0.000 0.982 288 Q CA 1.845 57.687 55.803 0.065 0.000 0.850 288 Q CB -0.339 28.423 28.738 0.040 0.000 0.901 288 Q HN 0.601 nan 8.270 nan 0.000 0.422 289 A N 0.331 123.199 122.820 0.081 0.000 1.877 289 A HA -0.242 4.079 4.320 0.000 0.000 0.216 289 A C 1.908 179.561 177.584 0.115 0.000 1.186 289 A CA 1.473 53.554 52.037 0.074 0.000 0.620 289 A CB -1.032 18.000 19.000 0.055 0.000 0.822 289 A HN 0.509 nan 8.150 nan 0.000 0.443 290 Y N 0.466 120.776 120.300 0.017 0.000 2.165 290 Y HA -0.300 4.251 4.550 0.000 0.000 0.286 290 Y C 2.625 178.539 175.900 0.024 0.000 1.155 290 Y CA 2.482 60.599 58.100 0.028 0.000 1.164 290 Y CB -0.241 38.247 38.460 0.046 0.000 0.978 290 Y HN 0.450 nan 8.280 nan 0.000 0.513 291 Q N -1.315 118.617 119.800 0.220 0.000 2.079 291 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 291 Q C 2.147 178.177 176.000 0.050 0.000 0.974 291 Q CA 1.989 57.871 55.803 0.132 0.000 0.840 291 Q CB -0.172 28.637 28.738 0.119 0.000 0.898 291 Q HN 0.392 nan 8.270 nan 0.000 0.430 292 T N 1.030 115.611 114.554 0.045 0.000 2.821 292 T HA -0.045 4.306 4.350 0.000 0.000 0.267 292 T C 1.360 176.058 174.700 -0.003 0.000 1.046 292 T CA 0.661 62.774 62.100 0.022 0.000 1.139 292 T CB 0.070 68.953 68.868 0.025 0.000 0.871 292 T HN 0.116 nan 8.240 nan 0.000 0.454 293 L N 0.771 121.979 121.223 -0.025 0.000 2.612 293 L HA 0.232 4.573 4.340 0.000 0.000 0.230 293 L C 1.897 178.712 176.870 -0.092 0.000 1.140 293 L CA 0.760 55.566 54.840 -0.057 0.000 0.896 293 L CB -1.425 40.592 42.059 -0.070 0.000 1.065 293 L HN 0.525 nan 8.230 nan 0.000 0.447 294 G N 0.058 108.802 108.800 -0.093 0.000 2.203 294 G HA2 -0.312 3.648 3.960 0.000 0.000 0.263 294 G HA3 -0.312 3.648 3.960 0.000 0.000 0.263 294 G C 0.651 175.435 174.900 -0.193 0.000 1.012 294 G CA 0.363 45.403 45.100 -0.100 0.000 0.749 294 G HN 0.403 nan 8.290 nan 0.000 0.512 295 C N 0.202 119.265 119.300 -0.396 0.000 2.703 295 C HA 0.627 5.087 4.460 0.000 0.000 0.411 295 C C 1.134 175.820 174.990 -0.507 0.000 1.290 295 C CA 0.510 59.168 59.018 -0.599 0.000 2.054 295 C CB 0.435 27.420 27.740 -1.259 0.000 2.732 295 C HN 1.372 nan 8.230 nan 0.000 0.650 296 A N 1.328 123.998 122.820 -0.251 0.000 2.498 296 A HA 0.786 5.106 4.320 0.000 0.000 0.298 296 A C 0.583 178.207 177.584 0.067 0.000 1.075 296 A CA 0.411 52.435 52.037 -0.022 0.000 0.714 296 A CB 0.907 19.885 19.000 -0.037 0.000 1.299 296 A HN 2.225 nan 8.150 nan 0.000 0.407 297 G N 0.206 109.090 108.800 0.139 0.000 5.426 297 G HA2 -0.156 3.804 3.960 0.000 0.000 0.297 297 G HA3 -0.156 3.804 3.960 0.000 0.000 0.297 297 G C 0.293 175.302 174.900 0.181 0.000 1.422 297 G CA 1.609 46.754 45.100 0.074 0.000 0.938 297 G HN 2.310 nan 8.290 nan 0.000 0.754 298 M N -1.509 118.215 119.600 0.206 0.000 2.644 298 M HA 0.854 5.334 4.480 0.000 0.000 0.273 298 M C -0.826 175.668 176.300 0.323 0.000 1.253 298 M CA -0.385 55.095 55.300 0.300 0.000 0.852 298 M CB 2.110 34.729 32.600 0.032 0.000 1.708 298 M HN 2.164 nan 8.290 nan 0.000 0.471 299 A N 1.046 124.146 122.820 0.466 0.000 2.605 299 A HA 0.794 5.114 4.320 0.000 0.000 0.294 299 A C -1.845 175.980 177.584 0.403 0.000 1.062 299 A CA -0.814 51.418 52.037 0.324 0.000 0.682 299 A CB 2.008 21.201 19.000 0.322 0.000 1.278 299 A HN 0.928 nan 8.150 nan 0.000 0.410 300 R N 1.253 121.913 120.500 0.266 0.000 2.338 300 R HA 0.620 4.960 4.340 0.000 0.000 0.317 300 R C -1.469 174.900 176.300 0.116 0.000 0.968 300 R CA -0.325 55.925 56.100 0.249 0.000 0.849 300 R CB 1.269 31.702 30.300 0.222 0.000 1.128 300 R HN 0.526 nan 8.270 nan 0.000 0.448 301 V N 4.642 124.601 119.914 0.074 0.000 2.394 301 V HA 0.238 4.359 4.120 0.000 0.000 0.282 301 V C -0.658 175.402 176.094 -0.056 0.000 1.031 301 V CA -0.689 61.618 62.300 0.012 0.000 0.881 301 V CB 1.629 33.467 31.823 0.026 0.000 0.982 301 V HN 0.744 nan 8.190 nan 0.000 0.451 302 D N 3.871 124.206 120.400 -0.109 0.000 2.308 302 D HA 0.570 5.210 4.640 0.000 0.000 0.242 302 D C -0.171 175.957 176.300 -0.287 0.000 1.059 302 D CA -0.076 53.814 54.000 -0.184 0.000 0.830 302 D CB 2.229 42.908 40.800 -0.200 0.000 1.161 302 D HN 0.486 nan 8.370 nan 0.000 0.494 303 V N -1.356 118.382 119.914 -0.294 0.000 3.074 303 V HA 0.706 4.826 4.120 0.000 0.000 0.314 303 V C -0.987 174.865 176.094 -0.403 0.000 1.117 303 V CA -0.923 61.172 62.300 -0.342 0.000 1.014 303 V CB 1.642 33.375 31.823 -0.150 0.000 1.057 303 V HN 0.168 nan 8.190 nan 0.000 0.438 304 F N 2.320 122.239 119.950 -0.052 0.000 2.404 304 F HA 0.738 5.265 4.527 0.000 0.000 0.339 304 F C -0.142 175.637 175.800 -0.034 0.000 1.105 304 F CA -1.019 56.951 58.000 -0.049 0.000 1.087 304 F CB 1.574 40.542 39.000 -0.054 0.000 1.143 304 F HN 0.463 nan 8.300 nan 0.000 0.491 305 L N 4.296 125.613 121.223 0.157 0.000 2.295 305 L HA 0.459 4.800 4.340 0.000 0.000 0.281 305 L C 0.330 177.240 176.870 0.067 0.000 1.018 305 L CA -0.227 54.659 54.840 0.078 0.000 0.841 305 L CB 0.515 42.597 42.059 0.039 0.000 1.218 305 L HN 0.763 nan 8.230 nan 0.000 0.424 306 T N 1.485 116.072 114.554 0.054 0.000 2.754 306 T HA 0.488 4.838 4.350 0.000 0.000 0.286 306 T C 1.439 176.150 174.700 0.018 0.000 0.997 306 T CA -0.058 62.060 62.100 0.030 0.000 0.982 306 T CB 1.069 69.952 68.868 0.024 0.000 1.027 306 T HN 0.681 nan 8.240 nan 0.000 0.529 307 A N 0.621 123.447 122.820 0.009 0.000 1.948 307 A HA -0.098 4.222 4.320 0.000 0.000 0.220 307 A C 1.701 179.290 177.584 0.007 0.000 1.177 307 A CA 1.714 53.755 52.037 0.006 0.000 0.636 307 A CB -0.878 18.123 19.000 0.002 0.000 0.815 307 A HN 0.893 nan 8.150 nan 0.000 0.449 308 D N -0.041 120.364 120.400 0.009 0.000 2.370 308 D HA 0.060 4.700 4.640 0.000 0.000 0.230 308 D C -0.128 176.178 176.300 0.010 0.000 1.143 308 D CA 0.006 54.011 54.000 0.008 0.000 0.834 308 D CB -0.242 40.564 40.800 0.009 0.000 0.944 308 D HN 0.350 nan 8.370 nan 0.000 0.504 309 N N 1.252 119.959 118.700 0.012 0.000 2.708 309 N HA -0.197 4.544 4.740 0.000 0.000 0.251 309 N C -0.056 175.463 175.510 0.015 0.000 1.123 309 N CA 0.691 53.748 53.050 0.012 0.000 0.739 309 N CB -1.039 37.451 38.487 0.006 0.000 1.113 309 N HN 0.511 nan 8.380 nan 0.000 0.561 310 E N 0.129 120.342 120.200 0.021 0.000 2.354 310 E HA 0.294 4.644 4.350 0.000 0.000 0.269 310 E C -0.221 176.401 176.600 0.037 0.000 1.036 310 E CA -0.169 56.247 56.400 0.027 0.000 0.876 310 E CB 1.134 30.853 29.700 0.031 0.000 1.009 310 E HN -0.053 nan 8.360 nan 0.000 0.416 311 V N 4.125 124.059 119.914 0.033 0.000 2.384 311 V HA 0.259 4.379 4.120 0.000 0.000 0.287 311 V C -0.347 175.771 176.094 0.041 0.000 1.020 311 V CA -0.701 61.619 62.300 0.032 0.000 0.850 311 V CB 1.632 33.461 31.823 0.009 0.000 0.987 311 V HN 0.358 nan 8.190 nan 0.000 0.436 312 V N 6.307 126.261 119.914 0.067 0.000 2.444 312 V HA 0.483 4.603 4.120 0.000 0.000 0.294 312 V C -0.052 176.042 176.094 -0.000 0.000 1.022 312 V CA -0.545 61.805 62.300 0.082 0.000 0.850 312 V CB 1.837 33.777 31.823 0.194 0.000 0.992 312 V HN 0.696 nan 8.190 nan 0.000 0.426 313 I N 4.020 124.568 120.570 -0.036 0.000 2.471 313 I HA 0.184 4.354 4.170 0.000 0.000 0.286 313 I C 1.155 177.171 176.117 -0.169 0.000 1.079 313 I CA 0.263 61.496 61.300 -0.111 0.000 1.398 313 I CB 0.771 38.730 38.000 -0.069 0.000 1.403 313 I HN 0.708 nan 8.210 nan 0.000 0.530 314 N N 4.966 123.475 118.700 -0.317 0.000 2.607 314 N HA 0.046 4.786 4.740 0.000 0.000 0.207 314 N C -0.336 175.035 175.510 -0.231 0.000 1.040 314 N CA 0.545 53.381 53.050 -0.356 0.000 0.947 314 N CB 0.597 38.614 38.487 -0.784 0.000 1.293 314 N HN 0.704 nan 8.380 nan 0.000 0.446 315 E N -0.308 119.764 120.200 -0.214 0.000 2.393 315 E HA 0.442 4.792 4.350 0.000 0.000 0.273 315 E C -1.038 175.505 176.600 -0.095 0.000 0.918 315 E CA -0.758 55.559 56.400 -0.138 0.000 0.773 315 E CB 2.242 31.869 29.700 -0.122 0.000 1.275 315 E HN 0.050 nan 8.360 nan 0.000 0.451 316 I N 1.802 122.335 120.570 -0.062 0.000 2.418 316 I HA 0.303 4.474 4.170 0.000 0.000 0.287 316 I C -0.831 175.275 176.117 -0.019 0.000 1.008 316 I CA -0.948 60.337 61.300 -0.025 0.000 1.104 316 I CB 1.472 39.462 38.000 -0.018 0.000 1.264 316 I HN 0.379 nan 8.210 nan 0.000 0.438 317 N N 4.525 123.228 118.700 0.004 0.000 2.417 317 N HA 0.197 4.937 4.740 0.000 0.000 0.274 317 N C 0.781 176.304 175.510 0.022 0.000 0.987 317 N CA -0.278 52.776 53.050 0.007 0.000 0.912 317 N CB 2.301 40.790 38.487 0.004 0.000 1.177 317 N HN 0.654 nan 8.380 nan 0.000 0.490 318 T N -1.000 113.559 114.554 0.008 0.000 3.043 318 T HA 0.132 4.482 4.350 0.000 0.000 0.263 318 T C 0.790 175.492 174.700 0.002 0.000 1.094 318 T CA 0.524 62.624 62.100 -0.001 0.000 1.127 318 T CB 0.088 68.946 68.868 -0.017 0.000 0.905 318 T HN 0.361 nan 8.240 nan 0.000 0.490 319 L N 2.791 124.039 121.223 0.041 0.000 2.488 319 L HA 0.428 4.768 4.340 0.000 0.000 0.250 319 L C -2.620 174.356 176.870 0.176 0.000 1.280 319 L CA -2.228 52.670 54.840 0.097 0.000 0.929 319 L CB 1.474 43.604 42.059 0.118 0.000 1.200 319 L HN 0.035 nan 8.230 nan 0.000 0.495 320 P HA 0.075 nan 4.420 nan 0.000 0.272 320 P C 0.378 177.723 177.300 0.075 0.000 1.240 320 P CA -0.039 63.084 63.100 0.039 0.000 0.791 320 P CB 0.807 32.545 31.700 0.064 0.000 0.978 321 G N -0.020 108.699 108.800 -0.136 0.000 2.321 321 G HA2 0.072 4.032 3.960 0.000 0.000 0.237 321 G HA3 0.072 4.032 3.960 0.000 0.000 0.237 321 G C -0.695 174.305 174.900 0.166 0.000 1.282 321 G CA -0.188 44.842 45.100 -0.118 0.000 0.886 321 G HN 0.480 nan 8.290 nan 0.000 0.528 322 F N 1.590 121.575 119.950 0.060 0.000 2.810 322 F HA 0.232 4.759 4.527 0.000 0.000 0.353 322 F C 1.483 177.265 175.800 -0.031 0.000 1.227 322 F CA -0.383 57.632 58.000 0.025 0.000 1.210 322 F CB 0.498 39.520 39.000 0.038 0.000 1.039 322 F HN 0.637 nan 8.300 nan 0.000 0.509 323 T N -1.936 112.644 114.554 0.045 0.000 2.766 323 T HA 0.033 4.383 4.350 0.000 0.000 0.295 323 T C 1.492 176.161 174.700 -0.053 0.000 1.024 323 T CA -0.124 61.990 62.100 0.023 0.000 1.018 323 T CB 0.728 69.617 68.868 0.035 0.000 1.002 323 T HN 0.358 nan 8.240 nan 0.000 0.532 324 N N 0.956 119.687 118.700 0.051 0.000 2.430 324 N HA -0.126 4.614 4.740 0.000 0.000 0.186 324 N C 1.224 176.840 175.510 0.176 0.000 1.032 324 N CA 1.655 54.827 53.050 0.204 0.000 0.893 324 N CB -0.911 37.701 38.487 0.209 0.000 0.957 324 N HN 0.920 nan 8.380 nan 0.000 0.442 325 I N -4.607 115.996 120.570 0.056 0.000 3.817 325 I HA 0.426 4.596 4.170 0.000 0.000 0.325 325 I C -0.500 175.604 176.117 -0.021 0.000 1.550 325 I CA -0.729 60.592 61.300 0.036 0.000 1.100 325 I CB 0.371 38.389 38.000 0.030 0.000 1.216 325 I HN -0.222 nan 8.210 nan 0.000 0.481 326 S N 1.056 116.712 115.700 -0.072 0.000 2.617 326 S HA 0.301 4.771 4.470 0.000 0.000 0.269 326 S C 0.860 175.403 174.600 -0.095 0.000 1.292 326 S CA -0.478 57.675 58.200 -0.078 0.000 1.010 326 S CB 1.631 64.783 63.200 -0.081 0.000 0.944 326 S HN 0.476 nan 8.310 nan 0.000 0.536 327 M N 2.065 121.626 119.600 -0.065 0.000 2.082 327 M HA -0.157 4.323 4.480 0.000 0.000 0.258 327 M C 1.690 177.935 176.300 -0.092 0.000 1.071 327 M CA 1.933 57.191 55.300 -0.071 0.000 1.103 327 M CB -0.865 31.704 32.600 -0.051 0.000 1.307 327 M HN 0.826 nan 8.290 nan 0.000 0.409 328 Y N 0.700 120.918 120.300 -0.138 0.000 2.053 328 Y HA -0.187 4.363 4.550 0.000 0.000 0.277 328 Y C -0.875 174.925 175.900 -0.167 0.000 1.159 328 Y CA 2.677 60.714 58.100 -0.104 0.000 1.125 328 Y CB -1.748 36.720 38.460 0.013 0.000 0.969 328 Y HN 0.271 nan 8.280 nan 0.000 0.492 329 P HA -0.139 nan 4.420 nan 0.000 0.219 329 P C 1.096 178.272 177.300 -0.207 0.000 1.150 329 P CA 1.653 64.491 63.100 -0.436 0.000 0.814 329 P CB -0.017 31.027 31.700 -1.094 0.000 0.787 330 K N -0.099 120.207 120.400 -0.156 0.000 2.097 330 K HA -0.019 4.301 4.320 0.000 0.000 0.206 330 K C 2.226 178.780 176.600 -0.078 0.000 1.049 330 K CA 0.900 57.177 56.287 -0.017 0.000 0.933 330 K CB -1.261 31.226 32.500 -0.021 0.000 0.717 330 K HN 0.262 nan 8.250 nan 0.000 0.442 331 L N -1.248 119.847 121.223 -0.212 0.000 2.042 331 L HA -0.176 4.164 4.340 0.000 0.000 0.210 331 L C 2.370 179.013 176.870 -0.379 0.000 1.076 331 L CA 1.419 56.051 54.840 -0.347 0.000 0.749 331 L CB -0.399 41.342 42.059 -0.531 0.000 0.893 331 L HN 0.237 nan 8.230 nan 0.000 0.432 332 W N -0.129 121.036 121.300 -0.226 0.000 2.409 332 W HA -0.176 4.484 4.660 0.000 0.000 0.299 332 W C 2.835 179.325 176.519 -0.048 0.000 1.203 332 W CA 0.872 58.125 57.345 -0.153 0.000 1.298 332 W CB -0.075 29.285 29.460 -0.168 0.000 1.127 332 W HN 0.184 nan 8.180 nan 0.000 0.528 333 Q N 0.523 120.455 119.800 0.221 0.000 2.135 333 Q HA -0.206 4.135 4.340 0.000 0.000 0.204 333 Q C 2.103 178.159 176.000 0.093 0.000 0.981 333 Q CA 1.968 57.884 55.803 0.188 0.000 0.856 333 Q CB -0.349 28.539 28.738 0.250 0.000 0.902 333 Q HN 0.200 nan 8.270 nan 0.000 0.425 334 A N -0.566 122.273 122.820 0.032 0.000 2.206 334 A HA 0.034 4.354 4.320 0.000 0.000 0.211 334 A C 1.589 179.166 177.584 -0.012 0.000 1.158 334 A CA 0.953 52.984 52.037 -0.011 0.000 0.761 334 A CB 0.168 19.133 19.000 -0.059 0.000 0.801 334 A HN 0.297 nan 8.150 nan 0.000 0.473 335 S N -1.633 114.084 115.700 0.028 0.000 2.593 335 S HA 0.423 4.893 4.470 0.000 0.000 0.236 335 S C 1.132 175.825 174.600 0.155 0.000 0.991 335 S CA 0.467 58.701 58.200 0.056 0.000 0.963 335 S CB 0.471 63.664 63.200 -0.013 0.000 0.865 335 S HN 1.475 nan 8.310 nan 0.000 0.488 336 G N 1.307 110.185 108.800 0.131 0.000 2.157 336 G HA2 -0.200 3.760 3.960 0.000 0.000 0.239 336 G HA3 -0.200 3.760 3.960 0.000 0.000 0.239 336 G C -0.364 174.610 174.900 0.124 0.000 0.982 336 G CA -0.083 45.083 45.100 0.111 0.000 0.650 336 G HN 0.435 nan 8.290 nan 0.000 0.527 337 L N 1.775 123.108 121.223 0.183 0.000 2.372 337 L HA 0.786 5.126 4.340 0.000 0.000 0.273 337 L C 0.747 177.724 176.870 0.179 0.000 0.989 337 L CA 0.115 55.037 54.840 0.137 0.000 0.841 337 L CB 1.152 43.247 42.059 0.060 0.000 1.225 337 L HN 0.393 nan 8.230 nan 0.000 0.414 338 G N 2.314 111.200 108.800 0.142 0.000 2.599 338 G HA2 0.168 4.129 3.960 0.000 0.000 0.264 338 G HA3 0.168 4.129 3.960 0.000 0.000 0.264 338 G C 0.241 175.321 174.900 0.299 0.000 1.200 338 G CA -0.177 45.030 45.100 0.179 0.000 0.896 338 G HN 0.575 nan 8.290 nan 0.000 0.536 339 Y N 0.175 120.512 120.300 0.062 0.000 2.097 339 Y HA -0.138 4.413 4.550 0.000 0.000 0.282 339 Y C 3.317 179.290 175.900 0.123 0.000 1.152 339 Y CA 1.655 59.807 58.100 0.086 0.000 1.136 339 Y CB -1.359 37.138 38.460 0.062 0.000 0.975 339 Y HN 0.433 nan 8.280 nan 0.000 0.498 340 T N 0.112 114.831 114.554 0.276 0.000 2.684 340 T HA -0.183 4.167 4.350 0.000 0.000 0.267 340 T C 1.400 176.211 174.700 0.185 0.000 1.036 340 T CA 1.796 64.018 62.100 0.204 0.000 1.148 340 T CB -0.411 68.540 68.868 0.138 0.000 0.863 340 T HN 0.259 nan 8.240 nan 0.000 0.436 341 D N 0.728 121.217 120.400 0.148 0.000 2.178 341 D HA -0.011 4.630 4.640 0.000 0.000 0.202 341 D C 1.989 178.344 176.300 0.092 0.000 0.974 341 D CA 0.317 54.382 54.000 0.107 0.000 0.841 341 D CB -0.445 40.394 40.800 0.066 0.000 0.953 341 D HN 0.178 nan 8.370 nan 0.000 0.478 342 L N 0.871 122.167 121.223 0.122 0.000 1.994 342 L HA -0.123 4.218 4.340 0.000 0.000 0.208 342 L C 2.084 179.068 176.870 0.189 0.000 1.071 342 L CA 1.442 56.351 54.840 0.116 0.000 0.745 342 L CB -0.670 41.502 42.059 0.188 0.000 0.892 342 L HN -0.031 nan 8.230 nan 0.000 0.431 343 I N -0.905 119.825 120.570 0.267 0.000 2.151 343 I HA -0.361 3.810 4.170 0.000 0.000 0.243 343 I C 2.433 178.614 176.117 0.106 0.000 1.080 343 I CA 1.637 63.087 61.300 0.250 0.000 1.339 343 I CB -0.512 37.626 38.000 0.230 0.000 1.039 343 I HN 0.254 nan 8.210 nan 0.000 0.409 344 S N 0.094 115.874 115.700 0.133 0.000 2.356 344 S HA -0.212 4.258 4.470 0.000 0.000 0.223 344 S C 2.059 176.710 174.600 0.086 0.000 1.032 344 S CA 1.254 59.554 58.200 0.166 0.000 1.005 344 S CB -0.297 63.062 63.200 0.265 0.000 0.867 344 S HN 0.269 nan 8.310 nan 0.000 0.449 345 R N 1.518 122.042 120.500 0.040 0.000 2.105 345 R HA 0.045 4.385 4.340 0.000 0.000 0.239 345 R C 1.935 178.208 176.300 -0.045 0.000 1.135 345 R CA 1.325 57.415 56.100 -0.017 0.000 0.967 345 R CB -0.940 29.313 30.300 -0.078 0.000 0.861 345 R HN 0.418 nan 8.270 nan 0.000 0.442 346 L N -0.598 120.590 121.223 -0.058 0.000 2.093 346 L HA -0.092 4.248 4.340 0.000 0.000 0.208 346 L C 2.237 178.986 176.870 -0.201 0.000 1.085 346 L CA 1.084 55.834 54.840 -0.150 0.000 0.755 346 L CB -0.270 41.649 42.059 -0.234 0.000 0.904 346 L HN 0.188 nan 8.230 nan 0.000 0.435 347 I N -0.489 119.984 120.570 -0.162 0.000 2.233 347 I HA -0.244 3.926 4.170 0.000 0.000 0.243 347 I C 2.391 178.471 176.117 -0.062 0.000 1.093 347 I CA 1.185 62.390 61.300 -0.158 0.000 1.380 347 I CB -0.194 37.660 38.000 -0.244 0.000 1.067 347 I HN 0.238 nan 8.210 nan 0.000 0.413 348 E N 0.869 121.067 120.200 -0.003 0.000 2.058 348 E HA -0.237 4.114 4.350 0.000 0.000 0.194 348 E C 2.297 178.883 176.600 -0.023 0.000 0.997 348 E CA 1.301 57.709 56.400 0.014 0.000 0.801 348 E CB -0.205 29.510 29.700 0.026 0.000 0.746 348 E HN 0.430 nan 8.360 nan 0.000 0.450 349 L N 0.596 121.791 121.223 -0.047 0.000 2.079 349 L HA -0.221 4.119 4.340 0.000 0.000 0.210 349 L C 2.567 179.391 176.870 -0.077 0.000 1.081 349 L CA 1.059 55.867 54.840 -0.054 0.000 0.752 349 L CB -0.481 41.544 42.059 -0.056 0.000 0.896 349 L HN 0.163 nan 8.230 nan 0.000 0.433 350 A N 0.116 122.868 122.820 -0.112 0.000 1.877 350 A HA -0.160 4.160 4.320 0.000 0.000 0.216 350 A C 2.244 179.767 177.584 -0.100 0.000 1.186 350 A CA 1.476 53.422 52.037 -0.151 0.000 0.620 350 A CB -0.710 18.178 19.000 -0.185 0.000 0.822 350 A HN 0.346 nan 8.150 nan 0.000 0.443 351 L N -0.661 120.527 121.223 -0.058 0.000 2.046 351 L HA -0.200 4.140 4.340 0.000 0.000 0.208 351 L C 2.610 179.492 176.870 0.020 0.000 1.077 351 L CA 1.606 56.439 54.840 -0.012 0.000 0.747 351 L CB -0.594 41.467 42.059 0.002 0.000 0.896 351 L HN 0.468 nan 8.230 nan 0.000 0.432 352 E N -0.195 120.002 120.200 -0.004 0.000 2.077 352 E HA -0.258 4.092 4.350 0.000 0.000 0.193 352 E C 2.312 178.903 176.600 -0.014 0.000 0.989 352 E CA 1.049 57.447 56.400 -0.004 0.000 0.800 352 E CB -0.113 29.579 29.700 -0.013 0.000 0.746 352 E HN 0.328 nan 8.360 nan 0.000 0.452 353 R N -0.070 120.408 120.500 -0.036 0.000 2.092 353 R HA -0.160 4.181 4.340 0.000 0.000 0.231 353 R C 2.292 178.553 176.300 -0.065 0.000 1.119 353 R CA 1.318 57.380 56.100 -0.062 0.000 0.970 353 R CB -0.146 30.091 30.300 -0.104 0.000 0.864 353 R HN 0.217 nan 8.270 nan 0.000 0.440 354 H N -0.337 118.650 119.070 -0.139 0.000 2.352 354 H HA -0.068 4.488 4.556 0.000 0.000 0.299 354 H C 1.624 176.914 175.328 -0.064 0.000 1.097 354 H CA 2.475 58.453 56.048 -0.117 0.000 1.311 354 H CB -0.079 29.619 29.762 -0.106 0.000 1.377 354 H HN 0.103 nan 8.280 nan 0.000 0.504 355 T N 0.178 114.740 114.554 0.014 0.000 2.708 355 T HA -0.164 4.186 4.350 0.000 0.000 0.266 355 T C 2.252 176.909 174.700 -0.073 0.000 1.037 355 T CA 1.292 63.378 62.100 -0.023 0.000 1.146 355 T CB -0.750 68.125 68.868 0.011 0.000 0.865 355 T HN 0.545 nan 8.240 nan 0.000 0.435 356 A N 2.575 125.357 122.820 -0.064 0.000 1.892 356 A HA -0.225 4.095 4.320 0.000 0.000 0.218 356 A C 2.265 179.793 177.584 -0.092 0.000 1.188 356 A CA 1.881 53.879 52.037 -0.065 0.000 0.631 356 A CB -0.714 18.255 19.000 -0.052 0.000 0.822 356 A HN 0.407 nan 8.150 nan 0.000 0.447 357 N N 0.213 118.829 118.700 -0.140 0.000 2.142 357 N HA -0.105 4.635 4.740 0.000 0.000 0.186 357 N C 1.574 176.986 175.510 -0.163 0.000 1.023 357 N CA 1.116 54.076 53.050 -0.151 0.000 0.852 357 N CB -0.660 37.711 38.487 -0.192 0.000 0.998 357 N HN 0.515 nan 8.380 nan 0.000 0.424 358 N N 0.828 119.386 118.700 -0.238 0.000 2.289 358 N HA -0.056 4.684 4.740 0.000 0.000 0.184 358 N C 1.281 176.733 175.510 -0.096 0.000 1.016 358 N CA 0.866 53.807 53.050 -0.182 0.000 0.872 358 N CB 0.056 38.422 38.487 -0.201 0.000 0.973 358 N HN 0.210 nan 8.380 nan 0.000 0.433 359 A N 0.856 123.628 122.820 -0.080 0.000 2.066 359 A HA 0.068 4.388 4.320 0.000 0.000 0.218 359 A C 1.129 178.688 177.584 -0.042 0.000 1.157 359 A CA 0.106 52.112 52.037 -0.052 0.000 0.670 359 A CB -0.215 18.760 19.000 -0.042 0.000 0.804 359 A HN 0.177 nan 8.150 nan 0.000 0.453 360 L N 0.764 121.959 121.223 -0.047 0.000 2.485 360 L HA 0.049 4.390 4.340 0.000 0.000 0.275 360 L C 0.434 177.288 176.870 -0.027 0.000 1.207 360 L CA -0.097 54.722 54.840 -0.035 0.000 0.855 360 L CB 0.398 42.436 42.059 -0.036 0.000 1.114 360 L HN 0.235 nan 8.230 nan 0.000 0.485 361 K N 1.153 121.541 120.400 -0.020 0.000 2.258 361 K HA 0.088 4.408 4.320 0.000 0.000 0.264 361 K C 0.684 177.277 176.600 -0.011 0.000 1.007 361 K CA -0.151 56.128 56.287 -0.014 0.000 0.941 361 K CB 0.960 33.454 32.500 -0.011 0.000 0.966 361 K HN 0.575 nan 8.250 nan 0.000 0.480 362 T N 0.551 115.101 114.554 -0.007 0.000 3.034 362 T HA 0.031 4.381 4.350 0.000 0.000 0.248 362 T C 0.185 174.884 174.700 -0.002 0.000 1.040 362 T CA 0.643 62.741 62.100 -0.003 0.000 1.107 362 T CB 0.412 69.280 68.868 0.001 0.000 0.932 362 T HN 0.688 nan 8.240 nan 0.000 0.474 363 T N 0.000 114.552 114.554 -0.003 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 363 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658