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 1df1_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.115 176.000 0.191 0.000 1.003 77 Q CA 0.000 55.771 55.803 -0.053 0.000 1.022 77 Q CB 0.000 28.623 28.738 -0.192 0.000 1.108 78 Y N -1.999 118.406 120.300 0.175 0.000 2.725 78 Y HA 0.813 5.363 4.550 0.000 0.000 0.333 78 Y C -1.439 174.510 175.900 0.081 0.000 1.242 78 Y CA -1.360 56.862 58.100 0.204 0.000 1.059 78 Y CB 0.702 39.219 38.460 0.096 0.000 1.306 78 Y HN 0.228 nan 8.280 nan 0.000 0.454 79 V N 2.527 122.660 119.914 0.365 0.000 2.495 79 V HA 0.529 4.649 4.120 0.000 0.000 0.298 79 V C -0.224 176.018 176.094 0.248 0.000 1.031 79 V CA -0.924 61.474 62.300 0.163 0.000 0.871 79 V CB 1.565 33.286 31.823 -0.169 0.000 0.988 79 V HN 0.789 nan 8.190 nan 0.000 0.432 80 R N 3.945 124.599 120.500 0.257 0.000 2.340 80 R HA 0.612 4.952 4.340 0.000 0.000 0.300 80 R C -1.110 175.245 176.300 0.091 0.000 1.069 80 R CA -0.203 56.037 56.100 0.233 0.000 0.984 80 R CB 0.595 31.041 30.300 0.243 0.000 1.003 80 R HN 0.658 nan 8.270 nan 0.000 0.459 81 I N 3.712 124.289 120.570 0.013 0.000 2.498 81 I HA 0.317 4.487 4.170 0.000 0.000 0.290 81 I C -0.493 175.542 176.117 -0.136 0.000 1.032 81 I CA -0.637 60.638 61.300 -0.042 0.000 1.073 81 I CB 2.068 40.027 38.000 -0.067 0.000 1.251 81 I HN 0.494 nan 8.210 nan 0.000 0.426 82 K N 4.733 125.047 120.400 -0.144 0.000 2.259 82 K HA 0.398 4.718 4.320 0.000 0.000 0.249 82 K C -0.921 175.486 176.600 -0.322 0.000 0.942 82 K CA -0.746 55.331 56.287 -0.349 0.000 0.816 82 K CB 1.517 33.616 32.500 -0.668 0.000 1.155 82 K HN 0.450 nan 8.250 nan 0.000 0.428 83 N N 3.625 122.125 118.700 -0.335 0.000 2.501 83 N HA 0.116 4.856 4.740 0.000 0.000 0.245 83 N C -0.447 174.971 175.510 -0.154 0.000 0.974 83 N CA -0.397 52.585 53.050 -0.115 0.000 0.941 83 N CB 0.380 38.831 38.487 -0.059 0.000 1.122 83 N HN 0.622 nan 8.380 nan 0.000 0.507 84 W N 2.135 123.510 121.300 0.126 0.000 2.961 84 W HA 0.197 4.857 4.660 0.000 0.000 0.240 84 W C 1.895 178.476 176.519 0.103 0.000 1.305 84 W CA -0.053 57.368 57.345 0.128 0.000 1.465 84 W CB 0.241 29.805 29.460 0.174 0.000 1.135 84 W HN 0.625 nan 8.180 nan 0.000 0.688 85 G N -0.709 108.224 108.800 0.221 0.000 2.576 85 G HA2 -0.100 3.860 3.960 0.000 0.000 0.210 85 G HA3 -0.100 3.860 3.960 0.000 0.000 0.210 85 G C 1.402 176.310 174.900 0.014 0.000 1.143 85 G CA 0.898 46.025 45.100 0.046 0.000 0.819 85 G HN 0.238 nan 8.290 nan 0.000 0.534 86 S N -1.299 114.404 115.700 0.004 0.000 2.603 86 S HA 0.394 4.864 4.470 0.000 0.000 0.232 86 S C 1.812 176.373 174.600 -0.065 0.000 1.016 86 S CA 1.036 59.218 58.200 -0.030 0.000 0.976 86 S CB 0.486 63.666 63.200 -0.034 0.000 0.921 86 S HN 1.421 nan 8.310 nan 0.000 0.516 87 G N 1.544 110.283 108.800 -0.102 0.000 2.196 87 G HA2 -0.341 3.620 3.960 0.000 0.000 0.268 87 G HA3 -0.341 3.620 3.960 0.000 0.000 0.268 87 G C -0.113 174.669 174.900 -0.197 0.000 0.975 87 G CA 0.574 45.572 45.100 -0.169 0.000 0.648 87 G HN 0.706 nan 8.290 nan 0.000 0.538 88 E N 0.147 120.244 120.200 -0.171 0.000 2.384 88 E HA 0.439 4.789 4.350 0.000 0.000 0.266 88 E C 0.283 176.740 176.600 -0.240 0.000 1.012 88 E CA -0.254 56.038 56.400 -0.180 0.000 0.901 88 E CB 0.237 29.848 29.700 -0.148 0.000 0.967 88 E HN 0.415 nan 8.360 nan 0.000 0.435 89 I N 4.761 125.178 120.570 -0.256 0.000 2.562 89 I HA 0.366 4.536 4.170 0.000 0.000 0.301 89 I C -0.347 175.531 176.117 -0.398 0.000 1.003 89 I CA -0.788 60.328 61.300 -0.306 0.000 1.127 89 I CB 1.321 39.160 38.000 -0.268 0.000 1.304 89 I HN 0.404 nan 8.210 nan 0.000 0.446 90 L N 4.409 125.373 121.223 -0.432 0.000 2.371 90 L HA 0.490 4.830 4.340 0.000 0.000 0.262 90 L C -1.164 175.481 176.870 -0.375 0.000 1.006 90 L CA -0.722 53.821 54.840 -0.495 0.000 0.818 90 L CB 2.329 43.967 42.059 -0.701 0.000 1.354 90 L HN 0.550 nan 8.230 nan 0.000 0.415 91 H N 0.444 119.408 119.070 -0.177 0.000 2.587 91 H HA 0.192 4.748 4.556 0.000 0.000 0.325 91 H C -1.158 174.197 175.328 0.044 0.000 1.012 91 H CA -0.739 55.144 56.048 -0.275 0.000 1.213 91 H CB 1.984 31.229 29.762 -0.861 0.000 1.431 91 H HN 0.415 nan 8.280 nan 0.000 0.492 92 D N 2.781 123.334 120.400 0.256 0.000 2.339 92 D HA 0.030 4.670 4.640 0.000 0.000 0.241 92 D C 0.418 176.863 176.300 0.240 0.000 1.183 92 D CA 0.099 54.227 54.000 0.213 0.000 0.859 92 D CB 1.281 42.135 40.800 0.090 0.000 1.067 92 D HN 0.645 nan 8.370 nan 0.000 0.484 93 T N 2.944 117.626 114.554 0.214 0.000 3.042 93 T HA -0.066 4.284 4.350 0.000 0.000 0.245 93 T C 1.919 176.719 174.700 0.167 0.000 1.029 93 T CA -0.252 62.017 62.100 0.281 0.000 1.120 93 T CB 0.160 69.125 68.868 0.162 0.000 0.917 93 T HN 0.232 nan 8.240 nan 0.000 0.467 94 L N 2.609 123.840 121.223 0.014 0.000 2.189 94 L HA -0.171 4.169 4.340 0.000 0.000 0.214 94 L C 2.365 179.037 176.870 -0.329 0.000 1.097 94 L CA 1.839 56.620 54.840 -0.098 0.000 0.764 94 L CB -0.763 41.258 42.059 -0.064 0.000 0.900 94 L HN 0.616 nan 8.230 nan 0.000 0.436 95 H N -4.248 114.334 119.070 -0.812 0.000 2.489 95 H HA -0.188 4.368 4.556 0.000 0.000 0.295 95 H C 1.837 176.771 175.328 -0.658 0.000 1.082 95 H CA 1.680 56.978 56.048 -1.250 0.000 1.295 95 H CB -0.669 28.445 29.762 -1.080 0.000 1.380 95 H HN 0.520 nan 8.280 nan 0.000 0.548 96 H N 0.800 119.454 119.070 -0.692 0.000 2.457 96 H HA 0.031 4.587 4.556 0.000 0.000 0.294 96 H C 1.560 176.727 175.328 -0.268 0.000 1.064 96 H CA 0.884 56.641 56.048 -0.485 0.000 1.330 96 H CB 0.298 29.817 29.762 -0.404 0.000 1.395 96 H HN 0.220 nan 8.280 nan 0.000 0.541 97 K N 0.821 121.150 120.400 -0.118 0.000 2.504 97 K HA 0.121 4.441 4.320 0.000 0.000 0.195 97 K C 0.516 177.078 176.600 -0.065 0.000 1.036 97 K CA 0.245 56.494 56.287 -0.064 0.000 0.984 97 K CB 0.100 32.576 32.500 -0.040 0.000 0.788 97 K HN 0.169 nan 8.250 nan 0.000 0.488 98 A N 2.052 124.802 122.820 -0.115 0.000 2.395 98 A HA 0.134 4.454 4.320 0.000 0.000 0.286 98 A C 0.785 178.331 177.584 -0.062 0.000 1.193 98 A CA -0.010 51.978 52.037 -0.083 0.000 0.852 98 A CB 0.074 19.008 19.000 -0.110 0.000 1.118 98 A HN 0.206 nan 8.150 nan 0.000 0.524 99 T N 2.142 116.669 114.554 -0.045 0.000 3.560 99 T HA 0.490 4.840 4.350 0.000 0.000 0.350 99 T C 0.506 175.199 174.700 -0.012 0.000 1.264 99 T CA 0.795 62.885 62.100 -0.017 0.000 0.924 99 T CB -0.288 68.571 68.868 -0.014 0.000 1.997 99 T HN 2.192 nan 8.240 nan 0.000 0.553 100 S N 0.691 116.398 115.700 0.012 0.000 3.393 100 S HA -0.119 4.351 4.470 0.000 0.000 0.857 100 S C -1.188 173.447 174.600 0.059 0.000 1.163 100 S CA 0.427 58.646 58.200 0.032 0.000 0.985 100 S CB -1.700 61.508 63.200 0.014 0.000 0.687 100 S HN 1.070 nan 8.310 nan 0.000 0.270 101 D N 1.260 121.708 120.400 0.081 0.000 2.453 101 D HA 0.599 5.239 4.640 0.000 0.000 0.238 101 D C -0.198 176.197 176.300 0.158 0.000 1.088 101 D CA -0.822 53.247 54.000 0.116 0.000 0.854 101 D CB 0.432 41.282 40.800 0.082 0.000 1.076 101 D HN 0.447 nan 8.370 nan 0.000 0.533 102 F N 1.915 121.868 119.950 0.006 0.000 2.646 102 F HA 0.025 4.552 4.527 0.000 0.000 0.321 102 F C 1.817 177.631 175.800 0.023 0.000 1.241 102 F CA 0.296 58.302 58.000 0.011 0.000 1.365 102 F CB 0.354 39.365 39.000 0.017 0.000 1.143 102 F HN 0.457 nan 8.300 nan 0.000 0.601 103 T N 1.012 115.010 114.554 -0.926 0.000 2.624 103 T HA -0.294 4.056 4.350 0.000 0.000 0.266 103 T C 1.023 175.511 174.700 -0.353 0.000 1.050 103 T CA 1.595 63.260 62.100 -0.726 0.000 1.163 103 T CB -1.036 67.179 68.868 -1.089 0.000 0.861 103 T HN 0.519 nan 8.240 nan 0.000 0.443 104 C N 2.220 121.363 119.300 -0.262 0.000 2.601 104 C HA 0.566 5.026 4.460 0.000 0.000 0.409 104 C C 0.823 175.814 174.990 0.001 0.000 1.293 104 C CA -1.082 57.903 59.018 -0.055 0.000 2.101 104 C CB 0.502 28.272 27.740 0.050 0.000 2.639 104 C HN 0.411 nan 8.230 nan 0.000 0.592 105 K N 1.206 121.605 120.400 -0.000 0.000 2.177 105 K HA 0.319 4.639 4.320 0.000 0.000 0.238 105 K C 1.226 177.839 176.600 0.022 0.000 1.015 105 K CA -0.029 56.264 56.287 0.010 0.000 0.922 105 K CB 0.792 33.292 32.500 0.000 0.000 1.127 105 K HN 0.689 nan 8.250 nan 0.000 0.469 106 S N 0.673 116.386 115.700 0.021 0.000 2.383 106 S HA -0.090 4.380 4.470 0.000 0.000 0.227 106 S C 0.774 175.384 174.600 0.017 0.000 1.026 106 S CA 1.025 59.239 58.200 0.022 0.000 0.981 106 S CB -0.225 62.986 63.200 0.019 0.000 0.818 106 S HN 0.574 nan 8.310 nan 0.000 0.472 107 K N 0.637 121.044 120.400 0.012 0.000 2.440 107 K HA 0.417 4.737 4.320 0.000 0.000 0.206 107 K C -0.097 176.506 176.600 0.006 0.000 1.025 107 K CA -0.137 56.155 56.287 0.008 0.000 1.135 107 K CB 0.636 33.139 32.500 0.006 0.000 0.856 107 K HN 0.269 nan 8.250 nan 0.000 0.502 108 S N -0.485 115.220 115.700 0.007 0.000 2.587 108 S HA 0.350 4.820 4.470 0.000 0.000 0.269 108 S C -1.939 172.664 174.600 0.005 0.000 1.154 108 S CA -0.752 57.450 58.200 0.003 0.000 0.824 108 S CB 1.592 64.791 63.200 -0.001 0.000 1.118 108 S HN 0.221 nan 8.310 nan 0.000 0.462 109 C N 4.274 123.576 119.300 0.002 0.000 2.340 109 C HA 0.660 5.120 4.460 0.000 0.000 0.323 109 C C 0.024 175.012 174.990 -0.003 0.000 1.260 109 C CA -0.557 58.464 59.018 0.005 0.000 1.464 109 C CB -0.277 27.469 27.740 0.010 0.000 2.156 109 C HN 0.813 nan 8.230 nan 0.000 0.476 110 L N 5.528 126.738 121.223 -0.021 0.000 3.066 110 L HA 0.261 4.601 4.340 0.000 0.000 0.265 110 L C 1.960 178.813 176.870 -0.028 0.000 1.232 110 L CA 0.515 55.335 54.840 -0.033 0.000 1.031 110 L CB -0.370 41.647 42.059 -0.070 0.000 1.379 110 L HN 1.046 nan 8.230 nan 0.000 0.563 111 G N -0.594 108.214 108.800 0.013 0.000 2.559 111 G HA2 -0.196 3.765 3.960 0.000 0.000 0.216 111 G HA3 -0.196 3.765 3.960 0.000 0.000 0.216 111 G C 1.537 176.502 174.900 0.108 0.000 1.126 111 G CA 0.808 45.948 45.100 0.066 0.000 0.778 111 G HN 0.342 nan 8.290 nan 0.000 0.543 112 S N -0.295 115.456 115.700 0.086 0.000 2.501 112 S HA 0.202 4.672 4.470 0.000 0.000 0.220 112 S C 1.002 175.671 174.600 0.116 0.000 0.997 112 S CA -0.504 57.763 58.200 0.113 0.000 0.919 112 S CB -0.138 63.109 63.200 0.079 0.000 0.778 112 S HN 0.075 nan 8.310 nan 0.000 0.523 113 I N 2.558 123.175 120.570 0.078 0.000 2.533 113 I HA 0.070 4.240 4.170 0.000 0.000 0.284 113 I C 1.335 177.519 176.117 0.113 0.000 1.109 113 I CA 0.376 61.718 61.300 0.070 0.000 1.412 113 I CB 0.269 38.283 38.000 0.023 0.000 1.396 113 I HN 0.356 nan 8.210 nan 0.000 0.543 114 M N 5.108 124.788 119.600 0.134 0.000 2.098 114 M HA -0.071 4.409 4.480 0.000 0.000 0.262 114 M C 0.449 176.814 176.300 0.107 0.000 1.072 114 M CA 1.610 57.024 55.300 0.191 0.000 1.133 114 M CB 0.140 32.858 32.600 0.195 0.000 1.344 114 M HN 0.521 nan 8.290 nan 0.000 0.414 115 N N 1.221 119.933 118.700 0.020 0.000 2.990 115 N HA 0.322 5.062 4.740 0.000 0.000 0.288 115 N C -2.501 173.037 175.510 0.045 0.000 1.624 115 N CA -0.822 52.208 53.050 -0.032 0.000 0.961 115 N CB 0.329 38.699 38.487 -0.196 0.000 1.259 115 N HN 0.286 nan 8.380 nan 0.000 0.489 116 P HA 0.222 nan 4.420 nan 0.000 0.276 116 P C 0.605 177.948 177.300 0.071 0.000 1.252 116 P CA -0.359 62.763 63.100 0.036 0.000 0.802 116 P CB 1.993 33.675 31.700 -0.029 0.000 1.035 117 K N 0.350 120.769 120.400 0.033 0.000 2.152 117 K HA -0.116 4.204 4.320 0.000 0.000 0.206 117 K C 2.144 178.789 176.600 0.076 0.000 1.048 117 K CA 2.018 58.331 56.287 0.045 0.000 0.933 117 K CB -0.419 32.089 32.500 0.013 0.000 0.721 117 K HN 0.543 nan 8.250 nan 0.000 0.447 118 S N 0.881 116.612 115.700 0.053 0.000 2.399 118 S HA -0.112 4.358 4.470 0.000 0.000 0.231 118 S C 1.584 176.314 174.600 0.217 0.000 1.022 118 S CA 0.884 59.139 58.200 0.092 0.000 0.983 118 S CB -0.126 63.059 63.200 -0.025 0.000 0.803 118 S HN 0.077 nan 8.310 nan 0.000 0.480 119 L N 1.778 123.137 121.223 0.227 0.000 2.611 119 L HA 0.407 4.747 4.340 0.000 0.000 0.229 119 L C 0.098 177.238 176.870 0.449 0.000 1.137 119 L CA 0.506 55.532 54.840 0.310 0.000 0.901 119 L CB -0.658 41.533 42.059 0.220 0.000 1.098 119 L HN 0.285 nan 8.230 nan 0.000 0.456 120 T N -0.693 114.096 114.554 0.392 0.000 2.863 120 T HA 0.524 4.874 4.350 0.000 0.000 0.285 120 T C -0.358 174.392 174.700 0.082 0.000 1.009 120 T CA -0.566 61.717 62.100 0.305 0.000 0.989 120 T CB 2.467 71.452 68.868 0.195 0.000 1.004 120 T HN -0.171 nan 8.240 nan 0.000 0.455 121 R N 1.587 122.080 120.500 -0.012 0.000 2.358 121 R HA 0.594 4.934 4.340 0.000 0.000 0.309 121 R C 0.455 176.711 176.300 -0.075 0.000 1.026 121 R CA -0.436 55.533 56.100 -0.220 0.000 0.909 121 R CB 0.245 30.266 30.300 -0.465 0.000 1.153 121 R HN 0.858 nan 8.270 nan 0.000 0.515 122 G N 3.283 112.044 108.800 -0.065 0.000 2.570 122 G HA2 0.308 4.268 3.960 0.000 0.000 0.276 122 G HA3 0.308 4.268 3.960 0.000 0.000 0.276 122 G C -1.982 172.893 174.900 -0.041 0.000 1.346 122 G CA -0.924 44.149 45.100 -0.046 0.000 1.034 122 G HN 0.478 nan 8.290 nan 0.000 0.512 123 P HA 0.348 nan 4.420 nan 0.000 0.272 123 P C -0.325 176.963 177.300 -0.019 0.000 1.240 123 P CA -0.143 62.943 63.100 -0.023 0.000 0.791 123 P CB 0.638 32.322 31.700 -0.026 0.000 0.978 124 R N 0.572 121.067 120.500 -0.009 0.000 2.744 124 R HA 0.269 4.609 4.340 0.000 0.000 0.279 124 R C 0.105 176.402 176.300 -0.005 0.000 0.977 124 R CA -0.541 55.555 56.100 -0.007 0.000 0.906 124 R CB 1.730 32.028 30.300 -0.004 0.000 1.197 124 R HN 0.394 nan 8.270 nan 0.000 0.463 125 D N 0.979 121.375 120.400 -0.005 0.000 2.490 125 D HA 0.097 4.737 4.640 0.000 0.000 0.244 125 D C -0.446 175.855 176.300 0.001 0.000 0.979 125 D CA 1.129 55.125 54.000 -0.006 0.000 0.924 125 D CB 0.677 41.472 40.800 -0.007 0.000 1.075 125 D HN 0.246 nan 8.370 nan 0.000 0.488 126 K N 0.243 120.645 120.400 0.004 0.000 2.221 126 K HA 0.534 4.854 4.320 0.000 0.000 0.243 126 K C -2.570 174.038 176.600 0.012 0.000 0.968 126 K CA -1.754 54.539 56.287 0.011 0.000 0.846 126 K CB 1.560 34.065 32.500 0.007 0.000 1.141 126 K HN -0.177 nan 8.250 nan 0.000 0.434 127 P HA -0.045 nan 4.420 nan 0.000 0.270 127 P C -0.632 176.675 177.300 0.012 0.000 1.223 127 P CA -0.366 62.744 63.100 0.017 0.000 0.785 127 P CB 0.427 32.141 31.700 0.024 0.000 0.923 128 T N 2.082 116.643 114.554 0.011 0.000 2.867 128 T HA 0.156 4.506 4.350 0.000 0.000 0.297 128 T C -2.007 172.699 174.700 0.010 0.000 0.989 128 T CA -1.385 60.722 62.100 0.011 0.000 1.159 128 T CB -0.607 68.272 68.868 0.019 0.000 0.928 128 T HN 0.204 nan 8.240 nan 0.000 0.538 129 P HA -0.032 nan 4.420 nan 0.000 0.266 129 P C 1.407 178.697 177.300 -0.017 0.000 1.195 129 P CA -0.652 62.443 63.100 -0.008 0.000 0.768 129 P CB 0.558 32.249 31.700 -0.014 0.000 0.838 130 L N 3.053 124.270 121.223 -0.011 0.000 2.021 130 L HA -0.222 4.118 4.340 0.000 0.000 0.215 130 L C 2.396 179.241 176.870 -0.041 0.000 1.074 130 L CA 2.449 57.279 54.840 -0.016 0.000 0.760 130 L CB -1.141 40.911 42.059 -0.011 0.000 0.889 130 L HN 0.538 nan 8.230 nan 0.000 0.433 131 E N 0.531 120.705 120.200 -0.045 0.000 2.160 131 E HA -0.271 4.079 4.350 0.000 0.000 0.195 131 E C 1.609 178.144 176.600 -0.108 0.000 0.991 131 E CA 1.815 58.179 56.400 -0.060 0.000 0.810 131 E CB -0.465 29.209 29.700 -0.043 0.000 0.742 131 E HN 0.844 nan 8.360 nan 0.000 0.466 132 E N 0.597 120.715 120.200 -0.137 0.000 2.216 132 E HA 0.052 4.402 4.350 0.000 0.000 0.192 132 E C 2.521 178.872 176.600 -0.415 0.000 0.973 132 E CA -0.071 56.159 56.400 -0.283 0.000 0.851 132 E CB -0.372 29.209 29.700 -0.198 0.000 0.804 132 E HN 0.151 nan 8.360 nan 0.000 0.477 133 L N 1.005 122.130 121.223 -0.164 0.000 2.027 133 L HA -0.068 4.272 4.340 0.000 0.000 0.206 133 L C 2.444 179.307 176.870 -0.011 0.000 1.074 133 L CA 1.119 55.938 54.840 -0.036 0.000 0.745 133 L CB -0.279 41.806 42.059 0.044 0.000 0.898 133 L HN 0.334 nan 8.230 nan 0.000 0.433 134 L N 0.047 121.240 121.223 -0.050 0.000 1.989 134 L HA -0.179 4.161 4.340 0.000 0.000 0.211 134 L C -0.217 176.640 176.870 -0.021 0.000 1.071 134 L CA 1.690 56.501 54.840 -0.048 0.000 0.749 134 L CB -1.366 40.664 42.059 -0.049 0.000 0.890 134 L HN 0.216 nan 8.230 nan 0.000 0.431 135 P HA -0.138 nan 4.420 nan 0.000 0.216 135 P C 1.112 178.504 177.300 0.154 0.000 1.153 135 P CA 1.288 64.404 63.100 0.027 0.000 0.848 135 P CB -0.060 31.632 31.700 -0.013 0.000 0.787 136 H N -0.358 118.755 119.070 0.073 0.000 2.321 136 H HA 0.003 4.559 4.556 0.000 0.000 0.300 136 H C 2.014 177.442 175.328 0.166 0.000 1.087 136 H CA 1.369 57.485 56.048 0.114 0.000 1.319 136 H CB -1.260 28.570 29.762 0.114 0.000 1.379 136 H HN 0.012 nan 8.280 nan 0.000 0.501 137 A N 0.885 123.870 122.820 0.274 0.000 1.908 137 A HA -0.151 4.169 4.320 0.000 0.000 0.218 137 A C 2.638 180.330 177.584 0.180 0.000 1.181 137 A CA 1.709 53.872 52.037 0.211 0.000 0.627 137 A CB -0.915 17.990 19.000 -0.158 0.000 0.818 137 A HN 0.357 nan 8.150 nan 0.000 0.445 138 I N -0.380 120.255 120.570 0.108 0.000 2.315 138 I HA -0.240 3.930 4.170 0.000 0.000 0.248 138 I C 2.524 178.724 176.117 0.139 0.000 1.117 138 I CA 1.688 63.048 61.300 0.099 0.000 1.404 138 I CB -0.294 37.742 38.000 0.059 0.000 1.071 138 I HN 0.558 nan 8.210 nan 0.000 0.419 139 E N 1.611 121.912 120.200 0.169 0.000 2.077 139 E HA -0.293 4.057 4.350 0.000 0.000 0.193 139 E C 2.081 178.789 176.600 0.180 0.000 0.989 139 E CA 1.662 58.157 56.400 0.159 0.000 0.800 139 E CB -0.644 29.156 29.700 0.167 0.000 0.746 139 E HN 0.412 nan 8.360 nan 0.000 0.452 140 F N 0.547 120.580 119.950 0.138 0.000 2.075 140 F HA -0.062 4.465 4.527 0.000 0.000 0.297 140 F C 1.879 177.767 175.800 0.146 0.000 1.113 140 F CA 1.383 59.479 58.000 0.160 0.000 1.218 140 F CB -0.538 38.581 39.000 0.199 0.000 0.984 140 F HN 0.082 nan 8.300 nan 0.000 0.472 141 I N 1.166 121.705 120.570 -0.052 0.000 2.335 141 I HA -0.322 3.848 4.170 0.000 0.000 0.251 141 I C 2.157 178.219 176.117 -0.091 0.000 1.129 141 I CA 1.477 62.727 61.300 -0.084 0.000 1.402 141 I CB -1.002 37.093 38.000 0.159 0.000 1.069 141 I HN 0.275 nan 8.210 nan 0.000 0.424 142 N N -0.427 118.258 118.700 -0.025 0.000 2.216 142 N HA -0.213 4.527 4.740 0.000 0.000 0.183 142 N C 1.844 177.264 175.510 -0.150 0.000 1.017 142 N CA 0.725 53.768 53.050 -0.012 0.000 0.861 142 N CB -0.040 38.516 38.487 0.114 0.000 0.986 142 N HN 0.511 nan 8.380 nan 0.000 0.428 143 Q N 0.335 120.034 119.800 -0.169 0.000 2.046 143 Q HA -0.202 4.138 4.340 0.000 0.000 0.200 143 Q C 1.991 177.724 176.000 -0.444 0.000 0.975 143 Q CA 1.190 56.892 55.803 -0.169 0.000 0.836 143 Q CB -0.141 28.599 28.738 0.002 0.000 0.896 143 Q HN 0.369 nan 8.270 nan 0.000 0.428 144 Y N 0.121 119.859 120.300 -0.936 0.000 2.070 144 Y HA -0.310 4.240 4.550 0.000 0.000 0.280 144 Y C 1.639 176.736 175.900 -1.339 0.000 1.148 144 Y CA 2.097 59.292 58.100 -1.507 0.000 1.125 144 Y CB -0.718 36.864 38.460 -1.462 0.000 0.975 144 Y HN 0.203 nan 8.280 nan 0.000 0.492 145 Y N -0.234 119.482 120.300 -0.973 0.000 2.421 145 Y HA -0.008 4.543 4.550 0.000 0.000 0.292 145 Y C 2.527 178.011 175.900 -0.693 0.000 1.136 145 Y CA 1.197 58.749 58.100 -0.913 0.000 1.255 145 Y CB -0.743 37.217 38.460 -0.834 0.000 0.991 145 Y HN 0.250 nan 8.280 nan 0.000 0.552 146 G N -1.524 107.008 108.800 -0.446 0.000 3.026 146 G HA2 -0.063 3.897 3.960 0.000 0.000 0.208 146 G HA3 -0.063 3.897 3.960 0.000 0.000 0.208 146 G C 1.433 176.154 174.900 -0.299 0.000 1.169 146 G CA 0.711 45.669 45.100 -0.238 0.000 0.788 146 G HN 0.426 nan 8.290 nan 0.000 0.533 147 S N -0.137 115.195 115.700 -0.615 0.000 2.517 147 S HA 0.353 4.823 4.470 0.000 0.000 0.214 147 S C 0.462 174.860 174.600 -0.336 0.000 0.991 147 S CA -0.595 57.327 58.200 -0.465 0.000 0.906 147 S CB -0.129 62.786 63.200 -0.475 0.000 0.789 147 S HN 0.127 nan 8.310 nan 0.000 0.513 148 F N 1.294 121.124 119.950 -0.200 0.000 2.483 148 F HA 0.671 5.198 4.527 0.000 0.000 0.329 148 F C 0.132 175.886 175.800 -0.076 0.000 1.064 148 F CA -2.605 55.317 58.000 -0.130 0.000 0.986 148 F CB 0.512 39.412 39.000 -0.167 0.000 1.218 148 F HN -0.163 nan 8.300 nan 0.000 0.484 149 K N 1.895 122.407 120.400 0.186 0.000 2.326 149 K HA 0.071 4.391 4.320 0.000 0.000 0.275 149 K C -0.109 176.528 176.600 0.062 0.000 1.018 149 K CA 0.123 56.465 56.287 0.092 0.000 0.962 149 K CB 0.268 32.798 32.500 0.051 0.000 0.953 149 K HN 0.898 nan 8.250 nan 0.000 0.475 150 E N 0.955 121.182 120.200 0.046 0.000 3.179 150 E HA -0.217 4.133 4.350 0.000 0.000 0.148 150 E C -1.272 175.339 176.600 0.018 0.000 1.916 150 E CA 0.512 56.922 56.400 0.016 0.000 0.709 150 E CB -1.830 27.858 29.700 -0.018 0.000 1.081 150 E HN 0.642 nan 8.360 nan 0.000 0.351 151 A N 4.048 126.923 122.820 0.091 0.000 2.511 151 A HA 0.153 4.473 4.320 0.000 0.000 0.242 151 A C 0.535 178.177 177.584 0.095 0.000 1.069 151 A CA 0.073 52.211 52.037 0.168 0.000 0.763 151 A CB 0.395 19.504 19.000 0.180 0.000 1.001 151 A HN 0.440 nan 8.150 nan 0.000 0.498 152 K N 3.689 124.164 120.400 0.126 0.000 2.222 152 K HA 0.239 4.559 4.320 0.000 0.000 0.243 152 K C 0.403 177.050 176.600 0.078 0.000 1.160 152 K CA -0.061 56.264 56.287 0.065 0.000 1.090 152 K CB 0.089 32.615 32.500 0.044 0.000 1.694 152 K HN 0.713 nan 8.250 nan 0.000 0.361 153 I N 0.498 121.098 120.570 0.050 0.000 2.248 153 I HA -0.337 3.833 4.170 0.000 0.000 0.248 153 I C 2.403 178.484 176.117 -0.061 0.000 1.107 153 I CA 1.442 62.744 61.300 0.004 0.000 1.373 153 I CB -0.165 37.824 38.000 -0.019 0.000 1.055 153 I HN 0.583 nan 8.210 nan 0.000 0.418 154 E N 1.115 121.288 120.200 -0.045 0.000 2.047 154 E HA -0.231 4.119 4.350 0.000 0.000 0.191 154 E C 2.067 178.625 176.600 -0.071 0.000 0.987 154 E CA 1.247 57.614 56.400 -0.054 0.000 0.799 154 E CB 0.086 29.767 29.700 -0.031 0.000 0.752 154 E HN 0.499 nan 8.360 nan 0.000 0.449 155 E N -0.937 119.226 120.200 -0.062 0.000 2.208 155 E HA -0.184 4.166 4.350 0.000 0.000 0.193 155 E C 1.890 178.279 176.600 -0.352 0.000 0.988 155 E CA 0.751 57.108 56.400 -0.072 0.000 0.828 155 E CB -0.125 29.629 29.700 0.090 0.000 0.763 155 E HN 0.439 nan 8.360 nan 0.000 0.478 156 H N 0.716 119.344 119.070 -0.737 0.000 2.293 156 H HA -0.073 4.483 4.556 0.000 0.000 0.300 156 H C 2.139 177.173 175.328 -0.488 0.000 1.082 156 H CA 1.066 56.444 56.048 -1.117 0.000 1.308 156 H CB 0.145 29.517 29.762 -0.650 0.000 1.375 156 H HN 0.066 nan 8.280 nan 0.000 0.495 157 L N 0.253 121.346 121.223 -0.216 0.000 2.056 157 L HA -0.126 4.214 4.340 0.000 0.000 0.207 157 L C 3.025 179.840 176.870 -0.092 0.000 1.078 157 L CA 0.866 55.604 54.840 -0.170 0.000 0.749 157 L CB -0.732 41.233 42.059 -0.156 0.000 0.901 157 L HN 0.410 nan 8.230 nan 0.000 0.433 158 A N 0.371 123.143 122.820 -0.079 0.000 1.902 158 A HA -0.258 4.062 4.320 0.000 0.000 0.217 158 A C 2.387 179.972 177.584 0.001 0.000 1.181 158 A CA 1.949 53.967 52.037 -0.030 0.000 0.623 158 A CB -0.465 18.527 19.000 -0.013 0.000 0.818 158 A HN 0.284 nan 8.150 nan 0.000 0.443 159 R N -0.202 120.300 120.500 0.004 0.000 2.073 159 R HA 0.083 4.423 4.340 0.000 0.000 0.229 159 R C 1.952 178.295 176.300 0.073 0.000 1.120 159 R CA 1.382 57.533 56.100 0.086 0.000 0.967 159 R CB -0.800 29.620 30.300 0.200 0.000 0.862 159 R HN 0.493 nan 8.270 nan 0.000 0.436 160 L N 0.317 121.569 121.223 0.049 0.000 2.012 160 L HA -0.192 4.148 4.340 0.000 0.000 0.210 160 L C 2.527 179.397 176.870 0.001 0.000 1.073 160 L CA 1.981 56.845 54.840 0.040 0.000 0.748 160 L CB -0.452 41.622 42.059 0.026 0.000 0.891 160 L HN 0.424 nan 8.230 nan 0.000 0.431 161 E N -0.273 119.921 120.200 -0.009 0.000 2.051 161 E HA -0.242 4.108 4.350 0.000 0.000 0.192 161 E C 2.177 178.775 176.600 -0.003 0.000 0.991 161 E CA 1.157 57.549 56.400 -0.013 0.000 0.799 161 E CB -0.000 29.689 29.700 -0.017 0.000 0.748 161 E HN 0.489 nan 8.360 nan 0.000 0.449 162 A N 0.462 123.289 122.820 0.013 0.000 1.877 162 A HA -0.140 4.180 4.320 0.000 0.000 0.216 162 A C 2.406 180.002 177.584 0.021 0.000 1.186 162 A CA 1.418 53.471 52.037 0.027 0.000 0.620 162 A CB -0.710 18.321 19.000 0.051 0.000 0.822 162 A HN 0.217 nan 8.150 nan 0.000 0.443 163 V N -0.151 119.766 119.914 0.006 0.000 2.343 163 V HA -0.241 3.880 4.120 0.000 0.000 0.247 163 V C 2.751 178.767 176.094 -0.131 0.000 1.051 163 V CA 2.503 64.757 62.300 -0.077 0.000 1.036 163 V CB -1.256 30.486 31.823 -0.134 0.000 0.654 163 V HN 0.621 nan 8.190 nan 0.000 0.451 164 T N -0.465 114.040 114.554 -0.082 0.000 2.708 164 T HA -0.201 4.149 4.350 0.000 0.000 0.266 164 T C 1.952 176.629 174.700 -0.038 0.000 1.037 164 T CA 1.542 63.602 62.100 -0.067 0.000 1.146 164 T CB -0.199 68.644 68.868 -0.042 0.000 0.865 164 T HN 0.463 nan 8.240 nan 0.000 0.435 165 K N 0.760 121.149 120.400 -0.017 0.000 2.057 165 K HA -0.068 4.252 4.320 0.000 0.000 0.206 165 K C 2.441 179.048 176.600 0.012 0.000 1.050 165 K CA 1.070 57.356 56.287 -0.001 0.000 0.935 165 K CB -0.091 32.413 32.500 0.007 0.000 0.715 165 K HN 0.409 nan 8.250 nan 0.000 0.439 166 E N 1.066 121.279 120.200 0.022 0.000 2.051 166 E HA -0.195 4.155 4.350 0.000 0.000 0.192 166 E C 1.967 178.601 176.600 0.057 0.000 0.991 166 E CA 1.127 57.560 56.400 0.054 0.000 0.799 166 E CB -0.001 29.759 29.700 0.099 0.000 0.748 166 E HN 0.231 nan 8.360 nan 0.000 0.449 167 I N 0.855 121.441 120.570 0.027 0.000 2.226 167 I HA -0.259 3.911 4.170 0.000 0.000 0.245 167 I C 2.164 178.295 176.117 0.023 0.000 1.100 167 I CA 1.334 62.653 61.300 0.032 0.000 1.374 167 I CB -0.211 37.769 38.000 -0.032 0.000 1.057 167 I HN 0.140 nan 8.210 nan 0.000 0.413 168 E N 0.024 120.228 120.200 0.007 0.000 2.208 168 E HA -0.167 4.183 4.350 0.000 0.000 0.193 168 E C 2.107 178.716 176.600 0.014 0.000 0.988 168 E CA 1.811 58.214 56.400 0.006 0.000 0.828 168 E CB -0.024 29.675 29.700 -0.002 0.000 0.763 168 E HN 0.618 nan 8.360 nan 0.000 0.478 169 T N -2.144 112.422 114.554 0.020 0.000 3.010 169 T HA -0.047 4.304 4.350 0.000 0.000 0.252 169 T C 2.127 176.845 174.700 0.029 0.000 1.047 169 T CA 1.128 63.242 62.100 0.023 0.000 1.140 169 T CB -0.148 68.734 68.868 0.023 0.000 0.885 169 T HN 0.165 nan 8.240 nan 0.000 0.464 170 T N -2.526 112.052 114.554 0.040 0.000 3.014 170 T HA 0.543 4.893 4.350 0.000 0.000 0.250 170 T C 1.965 176.694 174.700 0.048 0.000 1.060 170 T CA 0.831 62.958 62.100 0.045 0.000 1.040 170 T CB 0.012 68.914 68.868 0.056 0.000 0.971 170 T HN 0.850 nan 8.240 nan 0.000 0.497 171 G N 0.350 109.181 108.800 0.050 0.000 2.358 171 G HA2 -0.222 3.738 3.960 0.000 0.000 0.224 171 G HA3 -0.222 3.738 3.960 0.000 0.000 0.224 171 G C 0.296 175.241 174.900 0.075 0.000 1.073 171 G CA 0.440 45.569 45.100 0.050 0.000 0.635 171 G HN 0.916 nan 8.290 nan 0.000 0.509 172 T N -0.907 113.708 114.554 0.101 0.000 2.645 172 T HA 0.741 5.091 4.350 0.000 0.000 0.273 172 T C -1.284 173.572 174.700 0.260 0.000 0.960 172 T CA 0.505 62.699 62.100 0.156 0.000 1.051 172 T CB 1.494 70.399 68.868 0.061 0.000 1.366 172 T HN 1.584 nan 8.240 nan 0.000 0.536 173 Y N -0.672 119.637 120.300 0.016 0.000 2.689 173 Y HA 0.773 5.323 4.550 0.000 0.000 0.333 173 Y C -1.483 174.436 175.900 0.032 0.000 1.208 173 Y CA -1.212 56.907 58.100 0.032 0.000 1.055 173 Y CB 0.807 39.298 38.460 0.051 0.000 1.304 173 Y HN 0.375 nan 8.280 nan 0.000 0.455 174 Q N 1.817 121.630 119.800 0.022 0.000 2.306 174 Q HA 0.478 4.818 4.340 0.000 0.000 0.265 174 Q C -1.189 174.801 176.000 -0.016 0.000 1.022 174 Q CA -0.940 54.820 55.803 -0.071 0.000 0.853 174 Q CB 2.771 31.520 28.738 0.020 0.000 1.327 174 Q HN 0.673 nan 8.270 nan 0.000 0.449 175 L N 1.292 122.485 121.223 -0.051 0.000 2.399 175 L HA 0.403 4.743 4.340 0.000 0.000 0.265 175 L C 1.003 177.893 176.870 0.033 0.000 1.089 175 L CA -0.069 54.786 54.840 0.025 0.000 0.802 175 L CB 0.843 42.897 42.059 -0.009 0.000 1.180 175 L HN 0.755 nan 8.230 nan 0.000 0.454 176 T N -1.303 113.265 114.554 0.023 0.000 2.849 176 T HA 0.225 4.575 4.350 0.000 0.000 0.284 176 T C 1.365 176.055 174.700 -0.016 0.000 1.004 176 T CA -0.619 61.486 62.100 0.007 0.000 1.021 176 T CB 0.854 69.724 68.868 0.002 0.000 1.013 176 T HN 0.492 nan 8.240 nan 0.000 0.527 177 L N 0.109 121.331 121.223 -0.003 0.000 2.017 177 L HA -0.106 4.234 4.340 0.000 0.000 0.208 177 L C 2.251 179.121 176.870 0.001 0.000 1.073 177 L CA 2.097 56.930 54.840 -0.011 0.000 0.745 177 L CB -0.796 41.262 42.059 -0.002 0.000 0.894 177 L HN 0.827 nan 8.230 nan 0.000 0.432 178 D N -0.047 120.369 120.400 0.026 0.000 2.149 178 D HA -0.231 4.409 4.640 0.000 0.000 0.198 178 D C 1.998 178.342 176.300 0.073 0.000 0.990 178 D CA 1.299 55.353 54.000 0.090 0.000 0.839 178 D CB 0.223 41.121 40.800 0.163 0.000 0.948 178 D HN 0.495 nan 8.370 nan 0.000 0.460 179 E N -0.265 119.835 120.200 -0.168 0.000 2.072 179 E HA -0.148 4.203 4.350 0.000 0.000 0.191 179 E C 2.049 178.729 176.600 0.133 0.000 0.985 179 E CA 0.224 56.467 56.400 -0.263 0.000 0.801 179 E CB 0.009 29.547 29.700 -0.271 0.000 0.750 179 E HN 0.108 nan 8.360 nan 0.000 0.452 180 L N 1.081 122.314 121.223 0.016 0.000 2.046 180 L HA -0.148 4.192 4.340 0.000 0.000 0.208 180 L C 1.952 178.812 176.870 -0.015 0.000 1.077 180 L CA 1.492 56.295 54.840 -0.062 0.000 0.747 180 L CB -0.257 41.716 42.059 -0.143 0.000 0.896 180 L HN 0.132 nan 8.230 nan 0.000 0.432 181 I N -1.221 119.372 120.570 0.038 0.000 2.127 181 I HA -0.349 3.821 4.170 0.000 0.000 0.241 181 I C 2.392 178.593 176.117 0.139 0.000 1.075 181 I CA 1.892 63.226 61.300 0.055 0.000 1.334 181 I CB -0.523 37.519 38.000 0.069 0.000 1.040 181 I HN 0.331 nan 8.210 nan 0.000 0.405 182 F N 1.828 121.850 119.950 0.119 0.000 2.126 182 F HA -0.255 4.272 4.527 0.000 0.000 0.299 182 F C 2.435 178.350 175.800 0.190 0.000 1.096 182 F CA 1.517 59.634 58.000 0.195 0.000 1.255 182 F CB -0.345 38.843 39.000 0.312 0.000 0.997 182 F HN 0.006 nan 8.300 nan 0.000 0.479 183 A N -0.035 122.878 122.820 0.155 0.000 1.933 183 A HA -0.187 4.133 4.320 0.000 0.000 0.218 183 A C 2.271 179.739 177.584 -0.193 0.000 1.175 183 A CA 2.404 54.416 52.037 -0.042 0.000 0.628 183 A CB -1.638 17.294 19.000 -0.114 0.000 0.814 183 A HN 0.563 nan 8.150 nan 0.000 0.444 184 T N -1.804 112.674 114.554 -0.127 0.000 2.821 184 T HA -0.116 4.234 4.350 0.000 0.000 0.267 184 T C 1.816 176.529 174.700 0.021 0.000 1.046 184 T CA 1.609 63.663 62.100 -0.076 0.000 1.139 184 T CB -0.289 68.556 68.868 -0.039 0.000 0.871 184 T HN 0.516 nan 8.240 nan 0.000 0.454 185 K N 0.041 120.471 120.400 0.050 0.000 2.103 185 K HA 0.160 4.480 4.320 0.000 0.000 0.204 185 K C 2.275 178.968 176.600 0.155 0.000 1.052 185 K CA 1.180 57.605 56.287 0.231 0.000 0.945 185 K CB -0.266 32.367 32.500 0.222 0.000 0.722 185 K HN 0.187 nan 8.250 nan 0.000 0.443 186 M N 0.704 120.200 119.600 -0.173 0.000 2.175 186 M HA -0.051 4.429 4.480 0.000 0.000 0.264 186 M C 1.978 178.106 176.300 -0.287 0.000 1.063 186 M CA 1.268 56.361 55.300 -0.346 0.000 1.119 186 M CB -0.191 32.060 32.600 -0.582 0.000 1.377 186 M HN 0.166 nan 8.290 nan 0.000 0.415 187 A N -1.340 121.271 122.820 -0.349 0.000 1.969 187 A HA -0.188 4.132 4.320 0.000 0.000 0.218 187 A C 1.977 179.334 177.584 -0.378 0.000 1.169 187 A CA 1.439 53.103 52.037 -0.621 0.000 0.635 187 A CB -1.269 16.910 19.000 -1.368 0.000 0.810 187 A HN 0.773 nan 8.150 nan 0.000 0.445 188 W N 0.927 122.090 121.300 -0.228 0.000 2.407 188 W HA -0.058 4.602 4.660 0.000 0.000 0.305 188 W C 2.268 178.714 176.519 -0.122 0.000 1.196 188 W CA 1.286 58.595 57.345 -0.059 0.000 1.311 188 W CB -0.639 28.823 29.460 0.002 0.000 1.135 188 W HN 0.342 nan 8.180 nan 0.000 0.514 189 R N 0.385 120.824 120.500 -0.103 0.000 2.105 189 R HA -0.190 4.150 4.340 0.000 0.000 0.239 189 R C 1.349 177.486 176.300 -0.272 0.000 1.135 189 R CA 1.867 57.729 56.100 -0.396 0.000 0.967 189 R CB -0.542 29.284 30.300 -0.790 0.000 0.861 189 R HN 0.071 nan 8.270 nan 0.000 0.442 190 N N 0.138 118.706 118.700 -0.221 0.000 2.398 190 N HA 0.042 4.782 4.740 0.000 0.000 0.188 190 N C -0.604 174.812 175.510 -0.156 0.000 1.122 190 N CA 0.546 53.502 53.050 -0.157 0.000 0.866 190 N CB 0.742 39.179 38.487 -0.084 0.000 0.970 190 N HN 0.170 nan 8.380 nan 0.000 0.462 191 A N 2.283 124.994 122.820 -0.181 0.000 2.457 191 A HA 0.232 4.553 4.320 0.000 0.000 0.298 191 A C -1.066 176.450 177.584 -0.113 0.000 1.288 191 A CA -1.087 50.806 52.037 -0.241 0.000 0.956 191 A CB 0.415 19.352 19.000 -0.105 0.000 1.135 191 A HN 0.009 nan 8.150 nan 0.000 0.535 192 P HA -0.130 nan 4.420 nan 0.000 0.228 192 P C 0.741 178.011 177.300 -0.050 0.000 1.151 192 P CA 0.982 64.044 63.100 -0.064 0.000 0.770 192 P CB 0.209 31.868 31.700 -0.069 0.000 0.786 193 R N -1.551 118.890 120.500 -0.098 0.000 2.362 193 R HA 0.170 4.510 4.340 0.000 0.000 0.227 193 R C 0.504 176.858 176.300 0.091 0.000 0.905 193 R CA -0.203 55.885 56.100 -0.019 0.000 1.067 193 R CB -0.149 29.956 30.300 -0.325 0.000 1.078 193 R HN 0.143 nan 8.270 nan 0.000 0.516 194 C N 0.817 120.135 119.300 0.031 0.000 2.285 194 C HA 0.374 4.834 4.460 0.000 0.000 0.335 194 C C 1.718 176.679 174.990 -0.048 0.000 1.267 194 C CA -0.679 58.377 59.018 0.064 0.000 1.762 194 C CB -0.309 27.543 27.740 0.187 0.000 2.365 194 C HN 0.482 nan 8.230 nan 0.000 0.527 195 I N 4.232 124.741 120.570 -0.101 0.000 2.876 195 I HA 0.101 4.271 4.170 0.000 0.000 0.264 195 I C 2.282 178.444 176.117 0.074 0.000 1.204 195 I CA 1.083 62.258 61.300 -0.208 0.000 1.485 195 I CB -0.221 37.681 38.000 -0.164 0.000 1.103 195 I HN 0.931 nan 8.210 nan 0.000 0.446 196 G N 1.657 110.503 108.800 0.076 0.000 3.026 196 G HA2 -0.070 3.890 3.960 0.000 0.000 0.208 196 G HA3 -0.070 3.890 3.960 0.000 0.000 0.208 196 G C 1.394 176.280 174.900 -0.023 0.000 1.169 196 G CA -0.357 44.779 45.100 0.062 0.000 0.788 196 G HN 0.399 nan 8.290 nan 0.000 0.533 197 R N 0.071 120.484 120.500 -0.145 0.000 2.357 197 R HA 0.061 4.401 4.340 0.000 0.000 0.202 197 R C 1.742 177.476 176.300 -0.944 0.000 1.047 197 R CA 0.100 55.788 56.100 -0.685 0.000 1.034 197 R CB -0.513 29.428 30.300 -0.598 0.000 0.875 197 R HN 0.361 nan 8.270 nan 0.000 0.473 198 I N 1.386 121.587 120.570 -0.616 0.000 2.756 198 I HA -0.172 3.998 4.170 0.000 0.000 0.262 198 I C 1.338 177.314 176.117 -0.236 0.000 1.225 198 I CA 1.403 62.506 61.300 -0.328 0.000 1.472 198 I CB 0.007 37.984 38.000 -0.037 0.000 1.094 198 I HN 0.068 nan 8.210 nan 0.000 0.454 199 Q N 0.121 119.699 119.800 -0.371 0.000 2.320 199 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 199 Q C 1.636 177.121 176.000 -0.858 0.000 0.910 199 Q CA 0.261 55.834 55.803 -0.382 0.000 0.946 199 Q CB -0.423 28.241 28.738 -0.124 0.000 1.062 199 Q HN 0.817 nan 8.270 nan 0.000 0.503 200 W N 1.243 121.789 121.300 -1.256 0.000 2.292 200 W HA -0.227 4.433 4.660 0.000 0.000 0.304 200 W C 1.006 177.259 176.519 -0.444 0.000 1.228 200 W CA 1.648 58.181 57.345 -1.353 0.000 1.241 200 W CB -1.247 27.648 29.460 -0.941 0.000 1.142 200 W HN 0.155 nan 8.180 nan 0.000 0.520 201 S N 0.141 115.114 115.700 -1.212 0.000 2.575 201 S HA 0.083 4.553 4.470 0.000 0.000 0.215 201 S C 0.371 174.770 174.600 -0.334 0.000 0.966 201 S CA -0.262 57.413 58.200 -0.876 0.000 0.911 201 S CB -0.673 61.758 63.200 -1.281 0.000 0.780 201 S HN 0.145 nan 8.310 nan 0.000 0.514 202 N N 1.988 120.591 118.700 -0.163 0.000 2.955 202 N HA 0.458 5.198 4.740 0.000 0.000 0.242 202 N C -1.430 174.195 175.510 0.191 0.000 1.123 202 N CA -0.153 52.909 53.050 0.020 0.000 0.949 202 N CB 1.317 39.841 38.487 0.061 0.000 1.214 202 N HN 0.333 nan 8.380 nan 0.000 0.504 203 L N 1.533 122.833 121.223 0.129 0.000 2.464 203 L HA 0.334 4.674 4.340 0.000 0.000 0.266 203 L C -0.816 176.043 176.870 -0.019 0.000 0.965 203 L CA -0.639 54.267 54.840 0.109 0.000 0.833 203 L CB 2.265 44.432 42.059 0.180 0.000 1.296 203 L HN 0.155 nan 8.230 nan 0.000 0.405 204 Q N 2.938 122.686 119.800 -0.088 0.000 2.256 204 Q HA 0.650 4.990 4.340 0.000 0.000 0.254 204 Q C -1.708 174.021 176.000 -0.452 0.000 0.916 204 Q CA -0.292 55.320 55.803 -0.318 0.000 0.932 204 Q CB 1.638 30.106 28.738 -0.450 0.000 1.207 204 Q HN 0.540 nan 8.270 nan 0.000 0.426 205 V N 5.527 125.146 119.914 -0.493 0.000 2.417 205 V HA 0.455 4.575 4.120 0.000 0.000 0.291 205 V C -0.893 174.873 176.094 -0.546 0.000 1.024 205 V CA -0.585 61.474 62.300 -0.403 0.000 0.861 205 V CB 0.816 32.509 31.823 -0.216 0.000 0.985 205 V HN 0.677 nan 8.190 nan 0.000 0.436 206 F N 2.472 122.320 119.950 -0.170 0.000 2.361 206 F HA 0.366 4.893 4.527 0.000 0.000 0.364 206 F C 0.497 176.130 175.800 -0.279 0.000 1.117 206 F CA -1.076 56.806 58.000 -0.197 0.000 1.071 206 F CB 1.077 39.980 39.000 -0.162 0.000 1.188 206 F HN 0.430 nan 8.300 nan 0.000 0.464 207 D N 3.493 123.850 120.400 -0.072 0.000 2.383 207 D HA 0.306 4.946 4.640 0.000 0.000 0.245 207 D C 0.230 176.395 176.300 -0.226 0.000 1.263 207 D CA 0.226 54.136 54.000 -0.149 0.000 0.936 207 D CB 0.747 41.497 40.800 -0.084 0.000 1.053 207 D HN 0.589 nan 8.370 nan 0.000 0.507 208 A N 4.516 127.078 122.820 -0.429 0.000 2.713 208 A HA 0.174 4.494 4.320 0.000 0.000 0.296 208 A C 1.677 179.084 177.584 -0.295 0.000 1.255 208 A CA -0.424 51.250 52.037 -0.606 0.000 0.955 208 A CB 0.018 18.245 19.000 -1.289 0.000 1.149 208 A HN 0.489 nan 8.150 nan 0.000 0.538 209 R N 0.545 120.943 120.500 -0.170 0.000 2.189 209 R HA -0.094 4.246 4.340 0.000 0.000 0.218 209 R C 1.286 177.546 176.300 -0.067 0.000 1.074 209 R CA 1.501 57.549 56.100 -0.087 0.000 0.991 209 R CB -0.156 30.133 30.300 -0.018 0.000 0.883 209 R HN 0.901 nan 8.270 nan 0.000 0.457 210 N N -0.569 118.113 118.700 -0.030 0.000 2.322 210 N HA -0.005 4.735 4.740 0.000 0.000 0.194 210 N C 0.225 175.772 175.510 0.062 0.000 1.126 210 N CA -0.472 52.588 53.050 0.018 0.000 0.845 210 N CB 0.180 38.690 38.487 0.039 0.000 0.976 210 N HN -0.011 nan 8.380 nan 0.000 0.475 211 C N 1.505 120.842 119.300 0.060 0.000 2.662 211 C HA 0.271 4.731 4.460 0.000 0.000 0.420 211 C C 1.793 176.910 174.990 0.211 0.000 1.314 211 C CA 0.215 59.343 59.018 0.182 0.000 1.963 211 C CB 0.513 28.424 27.740 0.284 0.000 2.686 211 C HN 0.615 nan 8.230 nan 0.000 0.609 212 S N 2.042 117.923 115.700 0.302 0.000 2.653 212 S HA 0.201 4.671 4.470 0.000 0.000 0.259 212 S C 0.313 175.092 174.600 0.297 0.000 1.076 212 S CA 0.457 58.874 58.200 0.361 0.000 1.051 212 S CB -0.199 63.125 63.200 0.207 0.000 0.994 212 S HN 1.034 nan 8.310 nan 0.000 0.552 213 T N -1.232 113.461 114.554 0.231 0.000 2.942 213 T HA 0.832 5.182 4.350 0.000 0.000 0.289 213 T C 1.143 175.920 174.700 0.128 0.000 1.044 213 T CA -0.201 61.982 62.100 0.138 0.000 1.023 213 T CB 1.547 70.480 68.868 0.108 0.000 1.123 213 T HN 0.269 nan 8.240 nan 0.000 0.512 214 A N 0.267 123.132 122.820 0.076 0.000 2.067 214 A HA -0.026 4.294 4.320 0.000 0.000 0.219 214 A C 2.263 179.870 177.584 0.039 0.000 1.158 214 A CA 0.885 52.964 52.037 0.070 0.000 0.661 214 A CB -0.790 18.294 19.000 0.140 0.000 0.801 214 A HN 0.766 nan 8.150 nan 0.000 0.452 215 Q N -0.223 119.649 119.800 0.120 0.000 2.137 215 Q HA -0.091 4.249 4.340 0.000 0.000 0.198 215 Q C 1.728 177.771 176.000 0.072 0.000 0.960 215 Q CA 1.322 57.187 55.803 0.105 0.000 0.847 215 Q CB -0.114 28.728 28.738 0.173 0.000 0.915 215 Q HN 0.818 nan 8.270 nan 0.000 0.448 216 E N -0.173 120.085 120.200 0.097 0.000 2.106 216 E HA -0.116 4.234 4.350 0.000 0.000 0.192 216 E C 2.030 178.742 176.600 0.187 0.000 0.984 216 E CA 0.636 57.101 56.400 0.108 0.000 0.806 216 E CB -0.003 29.807 29.700 0.183 0.000 0.750 216 E HN 0.280 nan 8.360 nan 0.000 0.458 217 M N 0.016 119.726 119.600 0.182 0.000 2.086 217 M HA -0.161 4.319 4.480 0.000 0.000 0.261 217 M C 2.185 178.539 176.300 0.090 0.000 1.067 217 M CA 1.331 56.714 55.300 0.138 0.000 1.116 217 M CB -0.179 32.337 32.600 -0.140 0.000 1.348 217 M HN 0.133 nan 8.290 nan 0.000 0.407 218 F N 1.109 120.878 119.950 -0.301 0.000 2.134 218 F HA -0.258 4.270 4.527 0.000 0.000 0.299 218 F C 2.192 177.870 175.800 -0.203 0.000 1.097 218 F CA 1.821 59.560 58.000 -0.434 0.000 1.264 218 F CB -0.483 37.857 39.000 -1.101 0.000 1.001 218 F HN 0.168 nan 8.300 nan 0.000 0.479 219 Q N -1.078 118.565 119.800 -0.261 0.000 2.167 219 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 219 Q C 1.979 177.812 176.000 -0.279 0.000 0.970 219 Q CA 1.902 57.499 55.803 -0.343 0.000 0.855 219 Q CB -0.370 28.235 28.738 -0.223 0.000 0.911 219 Q HN 0.621 nan 8.270 nan 0.000 0.438 220 H N -0.189 118.839 119.070 -0.070 0.000 2.363 220 H HA -0.020 4.536 4.556 0.000 0.000 0.301 220 H C 1.887 177.163 175.328 -0.087 0.000 1.074 220 H CA 1.180 57.195 56.048 -0.055 0.000 1.354 220 H CB 0.216 30.047 29.762 0.115 0.000 1.397 220 H HN 0.138 nan 8.280 nan 0.000 0.516 221 I N -0.363 120.274 120.570 0.113 0.000 2.286 221 I HA -0.317 3.853 4.170 0.000 0.000 0.248 221 I C 2.013 178.091 176.117 -0.064 0.000 1.115 221 I CA 0.701 62.028 61.300 0.045 0.000 1.392 221 I CB -0.143 37.889 38.000 0.054 0.000 1.065 221 I HN 0.426 nan 8.210 nan 0.000 0.418 222 C N 0.096 119.250 119.300 -0.244 0.000 2.440 222 C HA -0.102 4.359 4.460 0.000 0.000 0.278 222 C C 2.919 177.805 174.990 -0.174 0.000 1.295 222 C CA 0.417 59.272 59.018 -0.271 0.000 1.738 222 C CB -1.064 26.381 27.740 -0.492 0.000 1.987 222 C HN 0.442 nan 8.230 nan 0.000 0.492 223 R N 0.268 120.646 120.500 -0.205 0.000 2.096 223 R HA -0.141 4.199 4.340 0.000 0.000 0.235 223 R C 2.220 178.371 176.300 -0.248 0.000 1.127 223 R CA 1.469 57.425 56.100 -0.239 0.000 0.968 223 R CB -0.841 29.257 30.300 -0.337 0.000 0.861 223 R HN 0.713 nan 8.270 nan 0.000 0.440 224 H N 0.382 119.270 119.070 -0.303 0.000 2.276 224 H HA -0.063 4.493 4.556 0.000 0.000 0.301 224 H C 2.229 177.580 175.328 0.038 0.000 1.073 224 H CA 1.995 57.950 56.048 -0.155 0.000 1.311 224 H CB -0.160 29.566 29.762 -0.061 0.000 1.379 224 H HN 0.131 nan 8.280 nan 0.000 0.494 225 I N 1.121 121.742 120.570 0.084 0.000 2.194 225 I HA -0.305 3.865 4.170 0.000 0.000 0.246 225 I C 2.913 179.026 176.117 -0.006 0.000 1.093 225 I CA 0.785 62.107 61.300 0.037 0.000 1.355 225 I CB -0.262 37.756 38.000 0.030 0.000 1.046 225 I HN 0.333 nan 8.210 nan 0.000 0.413 226 L N 0.067 121.281 121.223 -0.016 0.000 2.027 226 L HA -0.272 4.068 4.340 0.000 0.000 0.206 226 L C 2.627 179.500 176.870 0.005 0.000 1.074 226 L CA 2.177 57.009 54.840 -0.014 0.000 0.745 226 L CB -0.761 41.280 42.059 -0.029 0.000 0.898 226 L HN 0.288 nan 8.230 nan 0.000 0.433 227 Y N 0.721 120.981 120.300 -0.067 0.000 2.200 227 Y HA -0.169 4.381 4.550 0.000 0.000 0.290 227 Y C 2.487 178.384 175.900 -0.004 0.000 1.137 227 Y CA 1.995 60.097 58.100 0.004 0.000 1.163 227 Y CB -0.288 38.247 38.460 0.126 0.000 0.988 227 Y HN 0.218 nan 8.280 nan 0.000 0.518 228 A N -0.596 122.223 122.820 -0.001 0.000 1.898 228 A HA -0.140 4.180 4.320 0.000 0.000 0.216 228 A C 2.184 179.727 177.584 -0.069 0.000 1.181 228 A CA 2.136 54.136 52.037 -0.062 0.000 0.620 228 A CB -1.277 17.647 19.000 -0.126 0.000 0.819 228 A HN 0.511 nan 8.150 nan 0.000 0.442 229 T N -0.144 114.381 114.554 -0.048 0.000 2.777 229 T HA -0.122 4.228 4.350 0.000 0.000 0.266 229 T C 1.161 175.829 174.700 -0.055 0.000 1.040 229 T CA 1.281 63.370 62.100 -0.018 0.000 1.141 229 T CB -0.438 68.429 68.868 -0.002 0.000 0.868 229 T HN 0.632 nan 8.240 nan 0.000 0.444 230 N N 1.830 120.466 118.700 -0.106 0.000 2.701 230 N HA -0.278 4.462 4.740 0.000 0.000 0.250 230 N C 0.014 175.477 175.510 -0.078 0.000 1.046 230 N CA 0.922 53.895 53.050 -0.128 0.000 0.733 230 N CB -2.128 36.243 38.487 -0.194 0.000 0.973 230 N HN 0.651 nan 8.380 nan 0.000 0.541 231 N N -1.881 116.788 118.700 -0.051 0.000 2.740 231 N HA -0.234 4.506 4.740 0.000 0.000 0.248 231 N C 0.922 176.409 175.510 -0.038 0.000 1.062 231 N CA 1.177 54.203 53.050 -0.039 0.000 0.704 231 N CB -1.263 37.200 38.487 -0.040 0.000 0.968 231 N HN 1.045 nan 8.380 nan 0.000 0.547 232 G N 0.471 109.255 108.800 -0.026 0.000 2.317 232 G HA2 -0.341 3.619 3.960 0.000 0.000 0.227 232 G HA3 -0.341 3.619 3.960 0.000 0.000 0.227 232 G C -0.009 174.879 174.900 -0.021 0.000 1.042 232 G CA 0.337 45.427 45.100 -0.016 0.000 0.623 232 G HN 0.615 nan 8.290 nan 0.000 0.509 233 N N 2.049 120.718 118.700 -0.052 0.000 3.050 233 N HA 0.279 5.019 4.740 0.000 0.000 0.289 233 N C 0.684 176.148 175.510 -0.077 0.000 1.209 233 N CA -0.635 52.365 53.050 -0.083 0.000 1.154 233 N CB -0.280 38.153 38.487 -0.089 0.000 1.444 233 N HN 0.285 nan 8.380 nan 0.000 0.529 234 I N 2.080 122.631 120.570 -0.031 0.000 2.906 234 I HA -0.131 4.040 4.170 0.000 0.000 0.302 234 I C 0.805 176.990 176.117 0.113 0.000 1.220 234 I CA 1.057 62.395 61.300 0.063 0.000 1.441 234 I CB -0.236 37.890 38.000 0.211 0.000 1.336 234 I HN 0.371 nan 8.210 nan 0.000 0.565 235 R N 4.049 124.606 120.500 0.095 0.000 2.534 235 R HA 0.404 4.744 4.340 0.000 0.000 0.301 235 R C -0.436 175.983 176.300 0.198 0.000 0.961 235 R CA -0.665 55.516 56.100 0.134 0.000 0.871 235 R CB 1.911 32.142 30.300 -0.114 0.000 1.170 235 R HN 0.558 nan 8.270 nan 0.000 0.446 236 S N 1.503 117.341 115.700 0.230 0.000 2.528 236 S HA 0.545 5.015 4.470 0.000 0.000 0.277 236 S C -0.325 174.318 174.600 0.072 0.000 1.297 236 S CA -0.374 57.863 58.200 0.063 0.000 1.052 236 S CB 1.372 64.539 63.200 -0.055 0.000 0.917 236 S HN 0.712 nan 8.310 nan 0.000 0.492 237 A N 2.731 125.577 122.820 0.043 0.000 2.609 237 A HA 0.852 5.173 4.320 0.000 0.000 0.291 237 A C -1.330 176.434 177.584 0.300 0.000 1.096 237 A CA -0.688 51.410 52.037 0.102 0.000 0.684 237 A CB 1.161 20.238 19.000 0.127 0.000 1.282 237 A HN 0.802 nan 8.150 nan 0.000 0.412 238 I N 0.074 120.772 120.570 0.215 0.000 2.802 238 I HA 0.726 4.896 4.170 0.000 0.000 0.298 238 I C -0.840 175.320 176.117 0.071 0.000 1.176 238 I CA -0.137 61.244 61.300 0.135 0.000 1.025 238 I CB 2.455 40.463 38.000 0.012 0.000 1.243 238 I HN 0.745 nan 8.210 nan 0.000 0.424 239 T N 6.344 120.828 114.554 -0.115 0.000 2.864 239 T HA 0.542 4.892 4.350 0.000 0.000 0.299 239 T C -1.196 173.217 174.700 -0.480 0.000 1.011 239 T CA -0.412 61.536 62.100 -0.253 0.000 0.975 239 T CB 0.695 69.390 68.868 -0.289 0.000 0.962 239 T HN 0.294 nan 8.240 nan 0.000 0.448 240 V N 7.087 126.724 119.914 -0.463 0.000 2.385 240 V HA 0.490 4.610 4.120 0.000 0.000 0.269 240 V C -0.178 175.630 176.094 -0.476 0.000 1.043 240 V CA -0.599 61.462 62.300 -0.400 0.000 0.906 240 V CB -0.232 31.352 31.823 -0.399 0.000 0.995 240 V HN 0.767 nan 8.190 nan 0.000 0.467 241 F N 5.181 125.092 119.950 -0.065 0.000 2.380 241 F HA 0.502 5.029 4.527 0.000 0.000 0.319 241 F C -1.834 173.900 175.800 -0.110 0.000 1.113 241 F CA -2.628 55.273 58.000 -0.167 0.000 1.056 241 F CB 0.230 39.142 39.000 -0.146 0.000 1.289 241 F HN 0.297 nan 8.300 nan 0.000 0.515 242 P HA -0.049 nan 4.420 nan 0.000 0.261 242 P C -0.954 176.284 177.300 -0.103 0.000 1.173 242 P CA 0.071 63.041 63.100 -0.217 0.000 0.760 242 P CB 0.111 31.486 31.700 -0.542 0.000 0.783 243 Q N 3.365 123.009 119.800 -0.260 0.000 2.474 243 Q HA 0.044 4.384 4.340 0.000 0.000 0.256 243 Q C 0.190 176.017 176.000 -0.289 0.000 1.048 243 Q CA -0.427 54.957 55.803 -0.699 0.000 0.922 243 Q CB 0.649 28.706 28.738 -1.135 0.000 1.288 243 Q HN 0.349 nan 8.270 nan 0.000 0.484 244 R N 1.167 121.514 120.500 -0.255 0.000 2.489 244 R HA 0.011 4.351 4.340 0.000 0.000 0.287 244 R C 0.199 176.451 176.300 -0.080 0.000 1.053 244 R CA 0.717 56.772 56.100 -0.075 0.000 1.036 244 R CB 0.547 30.816 30.300 -0.051 0.000 0.966 244 R HN 0.940 nan 8.270 nan 0.000 0.432 245 S N 2.626 118.330 115.700 0.006 0.000 2.612 245 S HA -0.050 4.420 4.470 0.000 0.000 0.193 245 S C 0.955 175.579 174.600 0.040 0.000 0.898 245 S CA 0.327 58.537 58.200 0.017 0.000 0.872 245 S CB -0.089 63.141 63.200 0.050 0.000 0.843 245 S HN 0.823 nan 8.310 nan 0.000 0.611 246 D N 0.052 120.504 120.400 0.086 0.000 2.367 246 D HA 0.288 4.928 4.640 0.000 0.000 0.207 246 D C 1.524 177.853 176.300 0.047 0.000 1.034 246 D CA 0.940 54.984 54.000 0.074 0.000 0.861 246 D CB -0.115 40.753 40.800 0.114 0.000 0.943 246 D HN 0.811 nan 8.370 nan 0.000 0.515 247 G N 1.113 109.945 108.800 0.053 0.000 2.258 247 G HA2 -0.325 3.635 3.960 0.000 0.000 0.233 247 G HA3 -0.325 3.635 3.960 0.000 0.000 0.233 247 G C 1.112 176.017 174.900 0.009 0.000 1.006 247 G CA 0.295 45.414 45.100 0.030 0.000 0.620 247 G HN 0.411 nan 8.290 nan 0.000 0.511 248 K N -0.071 120.307 120.400 -0.038 0.000 2.404 248 K HA 0.221 4.541 4.320 0.000 0.000 0.194 248 K C 0.539 176.919 176.600 -0.366 0.000 1.023 248 K CA 0.439 56.614 56.287 -0.187 0.000 1.094 248 K CB 0.146 32.492 32.500 -0.256 0.000 0.841 248 K HN 0.611 nan 8.250 nan 0.000 0.523 249 H N 0.326 119.438 119.070 0.070 0.000 2.587 249 H HA 0.147 4.703 4.556 0.000 0.000 0.245 249 H C -1.093 174.308 175.328 0.121 0.000 1.238 249 H CA -0.681 55.414 56.048 0.079 0.000 0.963 249 H CB 0.407 30.221 29.762 0.086 0.000 1.904 249 H HN -0.015 nan 8.280 nan 0.000 0.584 250 D N 0.546 121.057 120.400 0.185 0.000 2.389 250 D HA 0.020 4.660 4.640 0.000 0.000 0.247 250 D C -0.069 176.344 176.300 0.189 0.000 1.128 250 D CA 0.335 54.463 54.000 0.213 0.000 0.884 250 D CB 0.627 41.520 40.800 0.156 0.000 1.194 250 D HN 0.152 nan 8.370 nan 0.000 0.441 251 F N 2.425 122.437 119.950 0.104 0.000 2.404 251 F HA 0.371 4.898 4.527 0.000 0.000 0.345 251 F C 0.970 176.818 175.800 0.080 0.000 1.110 251 F CA -0.172 57.867 58.000 0.066 0.000 1.130 251 F CB 0.813 39.842 39.000 0.048 0.000 1.129 251 F HN -0.119 nan 8.300 nan 0.000 0.500 252 R N 3.246 123.856 120.500 0.184 0.000 2.668 252 R HA 0.536 4.876 4.340 0.000 0.000 0.272 252 R C -1.841 174.601 176.300 0.236 0.000 1.019 252 R CA -1.147 55.083 56.100 0.217 0.000 0.894 252 R CB 2.112 32.575 30.300 0.271 0.000 1.228 252 R HN 0.477 nan 8.270 nan 0.000 0.460 253 L N 1.436 122.785 121.223 0.210 0.000 2.287 253 L HA 0.387 4.727 4.340 0.000 0.000 0.287 253 L C 0.507 177.578 176.870 0.335 0.000 1.022 253 L CA -0.140 54.827 54.840 0.210 0.000 0.814 253 L CB 0.994 43.110 42.059 0.095 0.000 1.217 253 L HN 0.574 nan 8.230 nan 0.000 0.420 254 W N 0.798 122.152 121.300 0.090 0.000 2.937 254 W HA 0.077 4.737 4.660 0.000 0.000 0.245 254 W C 0.544 177.076 176.519 0.022 0.000 1.306 254 W CA -0.560 56.901 57.345 0.193 0.000 1.470 254 W CB -0.953 28.760 29.460 0.422 0.000 1.132 254 W HN 0.493 nan 8.180 nan 0.000 0.675 255 N N -0.494 118.275 118.700 0.114 0.000 2.483 255 N HA 0.082 4.822 4.740 0.000 0.000 0.269 255 N C 1.398 176.779 175.510 -0.215 0.000 1.209 255 N CA 0.647 53.554 53.050 -0.237 0.000 0.969 255 N CB 0.926 39.393 38.487 -0.033 0.000 1.173 255 N HN -0.161 nan 8.380 nan 0.000 0.475 256 S N 0.252 115.786 115.700 -0.277 0.000 2.388 256 S HA 0.015 4.485 4.470 0.000 0.000 0.223 256 S C 0.377 174.909 174.600 -0.114 0.000 1.034 256 S CA 0.591 58.698 58.200 -0.154 0.000 0.963 256 S CB 0.066 63.199 63.200 -0.113 0.000 0.827 256 S HN 0.630 nan 8.310 nan 0.000 0.481 257 Q N -0.837 118.897 119.800 -0.110 0.000 2.451 257 Q HA 0.522 4.862 4.340 0.000 0.000 0.281 257 Q C -0.096 175.831 176.000 -0.122 0.000 1.099 257 Q CA -0.807 54.934 55.803 -0.104 0.000 0.806 257 Q CB 1.742 30.453 28.738 -0.045 0.000 1.419 257 Q HN 0.063 nan 8.270 nan 0.000 0.427 258 L N 0.807 121.957 121.223 -0.123 0.000 1.948 258 L HA 0.015 4.356 4.340 0.000 0.000 0.212 258 L C 0.504 177.280 176.870 -0.157 0.000 1.074 258 L CA 1.815 56.596 54.840 -0.097 0.000 0.753 258 L CB -0.038 41.986 42.059 -0.057 0.000 0.888 258 L HN 0.554 nan 8.230 nan 0.000 0.432 259 I N -0.672 119.729 120.570 -0.282 0.000 2.331 259 I HA 0.353 4.523 4.170 0.000 0.000 0.292 259 I C 0.002 175.537 176.117 -0.969 0.000 0.998 259 I CA -0.339 60.642 61.300 -0.532 0.000 1.267 259 I CB 1.262 38.941 38.000 -0.536 0.000 1.386 259 I HN 0.171 nan 8.210 nan 0.000 0.476 260 R N 4.644 124.654 120.500 -0.816 0.000 2.664 260 R HA 0.427 4.767 4.340 0.000 0.000 0.266 260 R C -1.965 174.111 176.300 -0.373 0.000 1.046 260 R CA -0.629 55.064 56.100 -0.678 0.000 0.885 260 R CB 1.188 31.346 30.300 -0.238 0.000 1.254 260 R HN 0.287 nan 8.270 nan 0.000 0.465 261 Y N 0.933 121.238 120.300 0.009 0.000 2.335 261 Y HA 0.670 5.220 4.550 0.000 0.000 0.323 261 Y C 0.714 176.620 175.900 0.010 0.000 1.224 261 Y CA -0.457 57.684 58.100 0.069 0.000 1.241 261 Y CB 1.592 40.184 38.460 0.220 0.000 1.235 261 Y HN 0.739 nan 8.280 nan 0.000 0.492 262 A N 0.907 123.805 122.820 0.130 0.000 2.304 262 A HA 0.722 5.042 4.320 0.000 0.000 0.271 262 A C 0.306 177.669 177.584 -0.368 0.000 1.091 262 A CA 0.086 52.008 52.037 -0.192 0.000 0.812 262 A CB 0.025 18.847 19.000 -0.296 0.000 1.056 262 A HN 0.905 nan 8.150 nan 0.000 0.489 263 G N 0.005 108.503 108.800 -0.502 0.000 2.609 263 G HA2 0.594 4.554 3.960 0.000 0.000 0.308 263 G HA3 0.594 4.554 3.960 0.000 0.000 0.308 263 G C -1.351 173.289 174.900 -0.433 0.000 1.369 263 G CA -0.267 44.605 45.100 -0.379 0.000 0.958 263 G HN 0.540 nan 8.290 nan 0.000 0.499 264 Y N 0.076 120.404 120.300 0.046 0.000 2.462 264 Y HA 0.522 5.072 4.550 0.000 0.000 0.346 264 Y C 0.245 176.189 175.900 0.073 0.000 0.976 264 Y CA -1.093 57.055 58.100 0.080 0.000 1.044 264 Y CB 2.499 41.051 38.460 0.152 0.000 1.230 264 Y HN 0.507 nan 8.280 nan 0.000 0.455 265 Q N 3.402 123.339 119.800 0.228 0.000 2.349 265 Q HA 0.361 4.701 4.340 0.000 0.000 0.254 265 Q C -0.786 175.297 176.000 0.138 0.000 0.980 265 Q CA -0.624 55.263 55.803 0.140 0.000 0.924 265 Q CB 0.569 29.363 28.738 0.094 0.000 1.209 265 Q HN 0.551 nan 8.270 nan 0.000 0.445 266 M N 5.140 124.802 119.600 0.104 0.000 2.202 266 M HA 0.165 4.645 4.480 0.000 0.000 0.316 266 M C -1.448 174.866 176.300 0.023 0.000 1.138 266 M CA -2.310 53.023 55.300 0.054 0.000 1.151 266 M CB -0.189 32.431 32.600 0.034 0.000 1.422 266 M HN 0.538 nan 8.290 nan 0.000 0.471 267 P HA -0.172 nan 4.420 nan 0.000 0.218 267 P C 0.248 177.545 177.300 -0.005 0.000 1.148 267 P CA 1.466 64.557 63.100 -0.014 0.000 0.822 267 P CB -0.199 31.477 31.700 -0.040 0.000 0.784 268 D N -0.935 119.462 120.400 -0.004 0.000 2.358 268 D HA 0.029 4.669 4.640 0.000 0.000 0.241 268 D C 1.507 177.812 176.300 0.010 0.000 1.094 268 D CA 0.923 54.923 54.000 0.000 0.000 0.907 268 D CB -0.448 40.351 40.800 -0.002 0.000 0.893 268 D HN 0.286 nan 8.370 nan 0.000 0.528 269 G N 1.342 110.151 108.800 0.015 0.000 2.336 269 G HA2 -0.344 3.616 3.960 0.000 0.000 0.233 269 G HA3 -0.344 3.616 3.960 0.000 0.000 0.233 269 G C 0.804 175.720 174.900 0.027 0.000 1.053 269 G CA 0.502 45.615 45.100 0.020 0.000 0.625 269 G HN 0.600 nan 8.290 nan 0.000 0.511 270 T N -0.085 114.485 114.554 0.026 0.000 2.748 270 T HA 0.583 4.933 4.350 0.000 0.000 0.304 270 T C 0.492 175.217 174.700 0.041 0.000 1.041 270 T CA 0.194 62.312 62.100 0.030 0.000 1.033 270 T CB 1.484 70.367 68.868 0.027 0.000 0.995 270 T HN 0.688 nan 8.240 nan 0.000 0.536 271 I N 0.807 121.399 120.570 0.036 0.000 2.474 271 I HA 0.487 4.657 4.170 0.000 0.000 0.294 271 I C 0.326 176.462 176.117 0.032 0.000 1.005 271 I CA -1.037 60.288 61.300 0.041 0.000 1.113 271 I CB 2.001 40.009 38.000 0.013 0.000 1.289 271 I HN 0.649 nan 8.210 nan 0.000 0.436 272 R N 3.896 124.444 120.500 0.081 0.000 2.604 272 R HA 0.722 5.062 4.340 0.000 0.000 0.287 272 R C 0.407 176.720 176.300 0.021 0.000 0.970 272 R CA 0.509 56.657 56.100 0.080 0.000 0.946 272 R CB 1.589 31.994 30.300 0.174 0.000 1.127 272 R HN 0.875 nan 8.270 nan 0.000 0.473 273 G N 2.435 111.165 108.800 -0.116 0.000 2.512 273 G HA2 -0.289 3.671 3.960 0.000 0.000 0.254 273 G HA3 -0.289 3.671 3.960 0.000 0.000 0.254 273 G C -0.974 173.523 174.900 -0.672 0.000 1.199 273 G CA 0.167 45.106 45.100 -0.269 0.000 0.941 273 G HN 0.685 nan 8.290 nan 0.000 0.569 274 D N 1.898 122.085 120.400 -0.355 0.000 2.393 274 D HA 0.556 5.196 4.640 0.000 0.000 0.232 274 D C 1.523 177.747 176.300 -0.127 0.000 1.192 274 D CA 0.766 54.620 54.000 -0.243 0.000 0.882 274 D CB 0.723 41.641 40.800 0.196 0.000 1.038 274 D HN 0.889 nan 8.370 nan 0.000 0.499 275 A N 3.668 126.403 122.820 -0.141 0.000 2.131 275 A HA -0.116 4.204 4.320 0.000 0.000 0.220 275 A C 1.996 179.584 177.584 0.007 0.000 1.158 275 A CA 1.709 53.715 52.037 -0.051 0.000 0.665 275 A CB -0.125 18.856 19.000 -0.032 0.000 0.795 275 A HN 0.598 nan 8.150 nan 0.000 0.460 276 A N -0.476 122.370 122.820 0.043 0.000 2.016 276 A HA 0.037 4.357 4.320 0.000 0.000 0.217 276 A C 2.065 179.695 177.584 0.076 0.000 1.162 276 A CA 1.811 53.893 52.037 0.074 0.000 0.662 276 A CB -0.803 18.265 19.000 0.112 0.000 0.812 276 A HN 0.737 nan 8.150 nan 0.000 0.450 277 T N -2.427 112.167 114.554 0.068 0.000 3.206 277 T HA 0.352 4.702 4.350 0.000 0.000 0.253 277 T C 1.407 176.126 174.700 0.032 0.000 1.042 277 T CA 0.001 62.152 62.100 0.084 0.000 0.931 277 T CB -0.328 68.602 68.868 0.102 0.000 1.029 277 T HN 0.243 nan 8.240 nan 0.000 0.564 278 L N 0.803 122.030 121.223 0.007 0.000 1.971 278 L HA -0.126 4.214 4.340 0.000 0.000 0.215 278 L C 3.025 179.889 176.870 -0.011 0.000 1.072 278 L CA 1.999 56.831 54.840 -0.013 0.000 0.758 278 L CB -0.432 41.632 42.059 0.008 0.000 0.889 278 L HN 0.391 nan 8.230 nan 0.000 0.433 279 E N -0.666 119.540 120.200 0.011 0.000 2.150 279 E HA -0.248 4.102 4.350 0.000 0.000 0.193 279 E C 2.076 178.620 176.600 -0.093 0.000 0.985 279 E CA 1.088 57.472 56.400 -0.028 0.000 0.814 279 E CB 0.043 29.747 29.700 0.008 0.000 0.752 279 E HN 0.386 nan 8.360 nan 0.000 0.466 280 F N 0.957 120.768 119.950 -0.233 0.000 2.270 280 F HA -0.034 4.493 4.527 0.000 0.000 0.295 280 F C 2.231 177.895 175.800 -0.226 0.000 1.087 280 F CA 1.389 59.197 58.000 -0.320 0.000 1.365 280 F CB -0.461 38.409 39.000 -0.216 0.000 1.056 280 F HN -0.102 nan 8.300 nan 0.000 0.506 281 T N 0.009 114.437 114.554 -0.210 0.000 2.759 281 T HA -0.269 4.081 4.350 0.000 0.000 0.269 281 T C 1.764 176.352 174.700 -0.187 0.000 1.042 281 T CA 1.711 63.637 62.100 -0.289 0.000 1.140 281 T CB -0.362 68.361 68.868 -0.242 0.000 0.864 281 T HN 0.222 nan 8.240 nan 0.000 0.455 282 Q N 0.670 120.394 119.800 -0.125 0.000 2.124 282 Q HA -0.029 4.311 4.340 0.000 0.000 0.202 282 Q C 2.043 177.980 176.000 -0.105 0.000 0.977 282 Q CA 1.157 56.922 55.803 -0.063 0.000 0.850 282 Q CB -0.688 28.026 28.738 -0.040 0.000 0.901 282 Q HN 0.437 nan 8.270 nan 0.000 0.429 283 L N -0.670 120.419 121.223 -0.223 0.000 2.141 283 L HA -0.101 4.239 4.340 0.000 0.000 0.209 283 L C 2.013 178.757 176.870 -0.210 0.000 1.094 283 L CA 1.455 56.174 54.840 -0.202 0.000 0.763 283 L CB -0.633 41.255 42.059 -0.285 0.000 0.908 283 L HN 0.352 nan 8.230 nan 0.000 0.437 284 C N -0.704 118.372 119.300 -0.373 0.000 2.432 284 C HA -0.081 4.379 4.460 0.000 0.000 0.280 284 C C 2.624 177.631 174.990 0.028 0.000 1.353 284 C CA 0.121 58.971 59.018 -0.280 0.000 1.766 284 C CB -0.869 26.559 27.740 -0.520 0.000 1.924 284 C HN 0.502 nan 8.230 nan 0.000 0.509 285 I N 1.544 122.151 120.570 0.062 0.000 2.193 285 I HA -0.102 4.068 4.170 0.000 0.000 0.240 285 I C 1.989 178.131 176.117 0.042 0.000 1.084 285 I CA 1.712 63.068 61.300 0.093 0.000 1.365 285 I CB -1.637 36.409 38.000 0.076 0.000 1.064 285 I HN 0.271 nan 8.210 nan 0.000 0.410 286 D N 0.777 121.196 120.400 0.031 0.000 2.311 286 D HA -0.117 4.523 4.640 0.000 0.000 0.212 286 D C 1.909 178.235 176.300 0.043 0.000 0.972 286 D CA 0.905 54.939 54.000 0.056 0.000 0.887 286 D CB -0.089 40.770 40.800 0.098 0.000 0.915 286 D HN 0.334 nan 8.370 nan 0.000 0.497 287 L N -1.182 120.038 121.223 -0.005 0.000 2.769 287 L HA 0.310 4.650 4.340 0.000 0.000 0.240 287 L C 1.119 177.943 176.870 -0.078 0.000 1.163 287 L CA 0.061 54.857 54.840 -0.074 0.000 0.962 287 L CB 0.417 42.396 42.059 -0.133 0.000 1.258 287 L HN 0.095 nan 8.230 nan 0.000 0.513 288 G N -0.572 108.212 108.800 -0.026 0.000 2.134 288 G HA2 -0.289 3.671 3.960 0.000 0.000 0.209 288 G HA3 -0.289 3.671 3.960 0.000 0.000 0.209 288 G C -0.355 174.560 174.900 0.025 0.000 0.993 288 G CA -0.353 44.731 45.100 -0.027 0.000 0.669 288 G HN 0.331 nan 8.290 nan 0.000 0.519 289 W N 2.215 123.437 121.300 -0.129 0.000 2.316 289 W HA 0.678 5.338 4.660 0.000 0.000 0.321 289 W C 0.227 176.692 176.519 -0.090 0.000 1.203 289 W CA -1.120 56.154 57.345 -0.117 0.000 1.214 289 W CB 0.775 30.155 29.460 -0.133 0.000 1.169 289 W HN -0.063 nan 8.180 nan 0.000 0.561 290 K N 7.896 127.815 120.400 -0.801 0.000 2.250 290 K HA 0.165 4.485 4.320 0.000 0.000 0.285 290 K C -2.309 173.491 176.600 -1.334 0.000 1.097 290 K CA -1.562 54.258 56.287 -0.778 0.000 0.913 290 K CB 0.387 32.604 32.500 -0.471 0.000 1.179 290 K HN 0.312 nan 8.250 nan 0.000 0.462 291 P HA 0.192 nan 4.420 nan 0.000 0.275 291 P C -0.080 176.770 177.300 -0.750 0.000 1.276 291 P CA -0.321 62.103 63.100 -1.127 0.000 0.782 291 P CB 0.733 31.885 31.700 -0.913 0.000 0.851 292 R N 2.221 122.429 120.500 -0.487 0.000 2.323 292 R HA 0.051 4.391 4.340 0.000 0.000 0.198 292 R C 0.245 176.471 176.300 -0.123 0.000 0.988 292 R CA -0.025 55.960 56.100 -0.190 0.000 1.041 292 R CB -1.273 29.002 30.300 -0.042 0.000 0.926 292 R HN 0.440 nan 8.270 nan 0.000 0.476 293 Y N -1.675 118.316 120.300 -0.515 0.000 3.305 293 Y HA -0.301 4.250 4.550 0.000 0.000 0.214 293 Y C 1.071 176.787 175.900 -0.307 0.000 1.185 293 Y CA 0.649 58.251 58.100 -0.830 0.000 1.326 293 Y CB -1.832 36.269 38.460 -0.597 0.000 1.367 293 Y HN 0.242 nan 8.280 nan 0.000 0.588 294 G N -0.586 108.268 108.800 0.090 0.000 2.705 294 G HA2 0.546 4.506 3.960 0.000 0.000 0.299 294 G HA3 0.546 4.506 3.960 0.000 0.000 0.299 294 G C 0.629 175.626 174.900 0.161 0.000 1.315 294 G CA -0.768 44.410 45.100 0.129 0.000 1.045 294 G HN 0.236 nan 8.290 nan 0.000 0.517 295 R N -1.307 119.186 120.500 -0.010 0.000 2.093 295 R HA 0.079 4.419 4.340 0.000 0.000 0.224 295 R C 0.080 176.036 176.300 -0.573 0.000 1.101 295 R CA 0.945 56.872 56.100 -0.288 0.000 0.979 295 R CB -0.018 29.970 30.300 -0.519 0.000 0.877 295 R HN 0.365 nan 8.270 nan 0.000 0.441 296 F N 1.218 121.121 119.950 -0.078 0.000 2.530 296 F HA 0.262 4.789 4.527 0.000 0.000 0.318 296 F C -0.703 174.977 175.800 -0.200 0.000 1.356 296 F CA -1.117 56.548 58.000 -0.558 0.000 1.135 296 F CB 0.532 39.096 39.000 -0.727 0.000 1.315 296 F HN -0.298 nan 8.300 nan 0.000 0.549 297 D N 1.593 122.116 120.400 0.203 0.000 2.313 297 D HA 0.206 4.846 4.640 0.000 0.000 0.239 297 D C 0.094 176.659 176.300 0.441 0.000 1.142 297 D CA 0.037 54.255 54.000 0.363 0.000 0.847 297 D CB 2.104 43.191 40.800 0.479 0.000 1.082 297 D HN -0.034 nan 8.370 nan 0.000 0.480 298 V N 3.897 124.057 119.914 0.410 0.000 2.485 298 V HA -0.008 4.113 4.120 0.000 0.000 0.287 298 V C 1.119 177.275 176.094 0.103 0.000 1.022 298 V CA -0.258 62.195 62.300 0.255 0.000 1.067 298 V CB 0.063 31.989 31.823 0.171 0.000 0.967 298 V HN 0.351 nan 8.190 nan 0.000 0.479 299 L N 8.107 129.269 121.223 -0.101 0.000 2.464 299 L HA 0.316 4.656 4.340 0.000 0.000 0.264 299 L C -1.686 174.960 176.870 -0.372 0.000 1.199 299 L CA -1.261 53.319 54.840 -0.433 0.000 0.818 299 L CB 0.791 42.676 42.059 -0.290 0.000 1.102 299 L HN 0.493 nan 8.230 nan 0.000 0.473 300 P HA 0.116 nan 4.420 nan 0.000 0.281 300 P C -0.987 176.252 177.300 -0.102 0.000 1.249 300 P CA -0.712 62.202 63.100 -0.311 0.000 0.810 300 P CB 1.267 32.680 31.700 -0.479 0.000 1.008 301 L N 3.002 124.261 121.223 0.061 0.000 2.418 301 L HA 0.098 4.438 4.340 0.000 0.000 0.274 301 L C 0.104 177.060 176.870 0.144 0.000 1.135 301 L CA 0.021 54.946 54.840 0.140 0.000 0.870 301 L CB 0.197 42.392 42.059 0.226 0.000 1.154 301 L HN 0.115 nan 8.230 nan 0.000 0.462 302 V N 6.745 126.754 119.914 0.158 0.000 2.259 302 V HA 0.296 4.416 4.120 0.000 0.000 0.267 302 V C -0.147 175.960 176.094 0.021 0.000 1.051 302 V CA -0.660 61.685 62.300 0.075 0.000 0.830 302 V CB 0.941 32.871 31.823 0.179 0.000 1.080 302 V HN 0.410 nan 8.190 nan 0.000 0.467 303 L N 4.057 125.275 121.223 -0.009 0.000 2.309 303 L HA 0.567 4.907 4.340 0.000 0.000 0.282 303 L C 0.058 176.821 176.870 -0.178 0.000 1.036 303 L CA 0.086 54.896 54.840 -0.051 0.000 0.806 303 L CB 1.259 43.315 42.059 -0.006 0.000 1.220 303 L HN 0.588 nan 8.230 nan 0.000 0.429 304 Q N 2.379 122.083 119.800 -0.160 0.000 2.348 304 Q HA 0.789 5.129 4.340 0.000 0.000 0.265 304 Q C -1.277 174.562 176.000 -0.269 0.000 0.998 304 Q CA -0.633 55.058 55.803 -0.187 0.000 0.831 304 Q CB 1.736 30.461 28.738 -0.022 0.000 1.251 304 Q HN 0.825 nan 8.270 nan 0.000 0.456 305 A N 3.759 126.355 122.820 -0.374 0.000 2.325 305 A HA 0.524 4.844 4.320 0.000 0.000 0.333 305 A C 0.088 177.213 177.584 -0.766 0.000 1.155 305 A CA -0.090 51.467 52.037 -0.799 0.000 0.814 305 A CB 1.099 19.853 19.000 -0.409 0.000 1.206 305 A HN 1.056 nan 8.150 nan 0.000 0.482 306 D N 0.720 120.325 120.400 -1.325 0.000 4.049 306 D HA -0.260 4.380 4.640 0.000 0.000 0.154 306 D C 1.343 177.590 176.300 -0.088 0.000 0.764 306 D CA 3.329 57.101 54.000 -0.379 0.000 1.058 306 D CB -1.238 39.521 40.800 -0.069 0.000 0.472 306 D HN 0.962 nan 8.370 nan 0.000 0.449 307 G N -0.840 108.017 108.800 0.094 0.000 2.833 307 G HA2 0.213 4.173 3.960 0.000 0.000 0.214 307 G HA3 0.213 4.173 3.960 0.000 0.000 0.214 307 G C 0.329 175.297 174.900 0.112 0.000 1.075 307 G CA 0.448 45.602 45.100 0.091 0.000 0.799 307 G HN 0.393 nan 8.290 nan 0.000 0.541 308 Q N 1.416 121.246 119.800 0.050 0.000 2.593 308 Q HA 0.098 4.438 4.340 0.000 0.000 0.285 308 Q C -0.036 176.013 176.000 0.082 0.000 1.185 308 Q CA 0.590 56.416 55.803 0.038 0.000 1.012 308 Q CB 0.458 29.172 28.738 -0.039 0.000 1.322 308 Q HN 0.251 nan 8.270 nan 0.000 0.500 309 D N 1.581 121.993 120.400 0.019 0.000 2.368 309 D HA 0.115 4.755 4.640 0.000 0.000 0.240 309 D C -2.115 174.008 176.300 -0.295 0.000 1.169 309 D CA -0.898 53.053 54.000 -0.082 0.000 0.906 309 D CB -0.019 40.612 40.800 -0.281 0.000 1.187 309 D HN 0.314 nan 8.370 nan 0.000 0.435 310 P HA 0.171 nan 4.420 nan 0.000 0.279 310 P C -0.761 176.272 177.300 -0.445 0.000 1.239 310 P CA -0.167 62.559 63.100 -0.624 0.000 0.789 310 P CB 1.046 32.011 31.700 -1.224 0.000 0.933 311 E N 1.063 121.085 120.200 -0.297 0.000 2.151 311 E HA 0.324 4.674 4.350 0.000 0.000 0.275 311 E C -0.528 175.905 176.600 -0.280 0.000 0.936 311 E CA -1.077 55.148 56.400 -0.292 0.000 0.777 311 E CB 1.697 31.271 29.700 -0.209 0.000 1.108 311 E HN 0.187 nan 8.360 nan 0.000 0.401 312 V N 4.158 123.832 119.914 -0.400 0.000 2.530 312 V HA 0.244 4.364 4.120 0.000 0.000 0.282 312 V C -0.486 175.292 176.094 -0.526 0.000 1.048 312 V CA 0.094 62.208 62.300 -0.309 0.000 0.997 312 V CB -0.090 31.601 31.823 -0.221 0.000 0.987 312 V HN 0.518 nan 8.190 nan 0.000 0.477 313 F N 1.940 121.767 119.950 -0.206 0.000 2.557 313 F HA 0.446 4.973 4.527 0.000 0.000 0.316 313 F C 0.093 175.823 175.800 -0.118 0.000 1.141 313 F CA -0.798 57.010 58.000 -0.319 0.000 0.922 313 F CB 1.873 40.487 39.000 -0.644 0.000 1.194 313 F HN 0.418 nan 8.300 nan 0.000 0.443 314 E N 3.056 123.322 120.200 0.111 0.000 2.338 314 E HA 0.358 4.708 4.350 0.000 0.000 0.272 314 E C -0.684 176.098 176.600 0.302 0.000 1.029 314 E CA -0.019 56.501 56.400 0.200 0.000 0.872 314 E CB 0.625 30.436 29.700 0.184 0.000 1.015 314 E HN 0.425 nan 8.360 nan 0.000 0.417 315 I N 6.820 127.545 120.570 0.259 0.000 2.396 315 I HA 0.188 4.358 4.170 0.000 0.000 0.289 315 I C -1.873 174.367 176.117 0.205 0.000 1.056 315 I CA -2.118 59.339 61.300 0.262 0.000 1.365 315 I CB 0.896 38.980 38.000 0.140 0.000 1.407 315 I HN 0.417 nan 8.210 nan 0.000 0.509 316 P HA 0.017 nan 4.420 nan 0.000 0.257 316 P C -1.960 175.396 177.300 0.093 0.000 1.189 316 P CA -0.674 62.509 63.100 0.138 0.000 0.780 316 P CB 0.068 31.827 31.700 0.098 0.000 0.772 317 P HA -0.225 nan 4.420 nan 0.000 0.218 317 P C 0.765 178.101 177.300 0.060 0.000 1.146 317 P CA 1.412 64.562 63.100 0.083 0.000 0.820 317 P CB -0.042 31.709 31.700 0.086 0.000 0.778 318 D N -1.111 119.319 120.400 0.048 0.000 2.310 318 D HA -0.055 4.585 4.640 0.000 0.000 0.212 318 D C 1.741 178.054 176.300 0.022 0.000 0.965 318 D CA 0.840 54.859 54.000 0.031 0.000 0.879 318 D CB -0.042 40.773 40.800 0.024 0.000 0.921 318 D HN 0.291 nan 8.370 nan 0.000 0.510 319 L N 0.598 121.835 121.223 0.023 0.000 2.375 319 L HA 0.027 4.367 4.340 0.000 0.000 0.215 319 L C 0.762 177.643 176.870 0.020 0.000 1.108 319 L CA 0.203 55.049 54.840 0.010 0.000 0.830 319 L CB 0.405 42.460 42.059 -0.005 0.000 0.959 319 L HN -0.214 nan 8.230 nan 0.000 0.457 320 V N 2.451 122.386 119.914 0.034 0.000 2.338 320 V HA 0.089 4.209 4.120 0.000 0.000 0.255 320 V C 0.042 176.167 176.094 0.052 0.000 1.082 320 V CA -0.305 62.020 62.300 0.043 0.000 0.951 320 V CB 0.763 32.618 31.823 0.053 0.000 1.102 320 V HN 0.069 nan 8.190 nan 0.000 0.489 321 L N 5.741 126.994 121.223 0.050 0.000 2.305 321 L HA 0.500 4.840 4.340 0.000 0.000 0.281 321 L C 0.139 177.037 176.870 0.046 0.000 1.085 321 L CA 0.713 55.573 54.840 0.032 0.000 0.813 321 L CB 0.768 42.837 42.059 0.017 0.000 1.157 321 L HN 0.641 nan 8.230 nan 0.000 0.436 322 E N 3.068 123.275 120.200 0.012 0.000 2.320 322 E HA 0.633 4.983 4.350 0.000 0.000 0.264 322 E C -1.479 175.051 176.600 -0.116 0.000 0.923 322 E CA -1.059 55.340 56.400 -0.001 0.000 0.796 322 E CB 2.450 32.176 29.700 0.044 0.000 1.262 322 E HN 0.371 nan 8.360 nan 0.000 0.428 323 V N 1.730 121.540 119.914 -0.173 0.000 2.407 323 V HA 0.252 4.372 4.120 0.000 0.000 0.291 323 V C -0.321 175.704 176.094 -0.116 0.000 1.018 323 V CA -0.813 61.318 62.300 -0.281 0.000 0.842 323 V CB 1.501 32.859 31.823 -0.775 0.000 0.996 323 V HN 0.819 nan 8.190 nan 0.000 0.426 324 T N 3.776 118.277 114.554 -0.088 0.000 2.856 324 T HA 0.546 4.896 4.350 0.000 0.000 0.292 324 T C -0.102 174.611 174.700 0.023 0.000 0.980 324 T CA -0.774 61.299 62.100 -0.046 0.000 1.091 324 T CB 0.890 69.732 68.868 -0.044 0.000 0.936 324 T HN 0.290 nan 8.240 nan 0.000 0.503 325 M N 3.801 123.448 119.600 0.080 0.000 2.162 325 M HA 0.359 4.839 4.480 0.000 0.000 0.356 325 M C 0.312 176.778 176.300 0.277 0.000 1.303 325 M CA -0.263 55.163 55.300 0.209 0.000 1.116 325 M CB -0.015 32.767 32.600 0.303 0.000 1.632 325 M HN 0.966 nan 8.290 nan 0.000 0.469 326 E N 1.381 121.756 120.200 0.291 0.000 2.354 326 E HA 0.346 4.696 4.350 0.000 0.000 0.283 326 E C -1.313 175.385 176.600 0.163 0.000 0.938 326 E CA -0.846 55.730 56.400 0.292 0.000 0.777 326 E CB 1.547 31.360 29.700 0.188 0.000 1.222 326 E HN 0.563 nan 8.360 nan 0.000 0.423 327 H N 3.676 122.696 119.070 -0.084 0.000 2.548 327 H HA 0.213 4.770 4.556 0.000 0.000 0.331 327 H C -1.636 173.580 175.328 -0.185 0.000 1.093 327 H CA -2.173 53.702 56.048 -0.288 0.000 1.367 327 H CB 1.720 31.177 29.762 -0.508 0.000 1.455 327 H HN 0.466 nan 8.280 nan 0.000 0.519 328 P HA -0.026 nan 4.420 nan 0.000 0.242 328 P C 0.462 177.740 177.300 -0.036 0.000 1.197 328 P CA 0.766 63.724 63.100 -0.238 0.000 0.765 328 P CB 0.820 32.090 31.700 -0.717 0.000 0.936 329 K N -1.349 119.073 120.400 0.037 0.000 2.606 329 K HA 0.127 4.447 4.320 0.000 0.000 0.199 329 K C 0.275 176.727 176.600 -0.246 0.000 1.403 329 K CA 0.417 56.619 56.287 -0.142 0.000 1.011 329 K CB -0.077 32.303 32.500 -0.201 0.000 1.623 329 K HN 0.080 nan 8.250 nan 0.000 0.512 330 Y N 3.418 123.401 120.300 -0.528 0.000 2.627 330 Y HA 0.121 4.671 4.550 0.000 0.000 0.347 330 Y C 1.204 176.786 175.900 -0.531 0.000 1.099 330 Y CA -0.230 57.529 58.100 -0.568 0.000 1.408 330 Y CB 0.481 38.364 38.460 -0.962 0.000 1.247 330 Y HN -0.020 nan 8.280 nan 0.000 0.506 331 E N 2.766 122.902 120.200 -0.108 0.000 2.472 331 E HA -0.153 4.197 4.350 0.000 0.000 0.200 331 E C 1.381 178.016 176.600 0.059 0.000 1.046 331 E CA 0.436 56.833 56.400 -0.005 0.000 0.871 331 E CB -0.113 29.619 29.700 0.054 0.000 0.806 331 E HN 0.878 nan 8.360 nan 0.000 0.533 332 W N -1.306 120.104 121.300 0.183 0.000 3.047 332 W HA 0.076 4.736 4.660 0.000 0.000 0.250 332 W C 1.269 177.876 176.519 0.147 0.000 1.314 332 W CA -0.473 56.955 57.345 0.138 0.000 1.540 332 W CB -1.070 28.461 29.460 0.118 0.000 1.127 332 W HN -0.110 nan 8.180 nan 0.000 0.679 333 F N 2.486 122.190 119.950 -0.408 0.000 2.146 333 F HA -0.182 4.345 4.527 0.000 0.000 0.298 333 F C 2.935 178.702 175.800 -0.056 0.000 1.096 333 F CA 2.556 60.358 58.000 -0.330 0.000 1.275 333 F CB -0.645 38.105 39.000 -0.417 0.000 1.008 333 F HN -0.118 nan 8.300 nan 0.000 0.480 334 Q N 0.272 120.124 119.800 0.086 0.000 2.077 334 Q HA -0.283 4.058 4.340 0.000 0.000 0.206 334 Q C 2.075 178.087 176.000 0.020 0.000 0.989 334 Q CA 2.282 58.121 55.803 0.060 0.000 0.853 334 Q CB -0.273 28.514 28.738 0.081 0.000 0.907 334 Q HN 0.485 nan 8.270 nan 0.000 0.418 335 E N -0.208 120.031 120.200 0.064 0.000 2.284 335 E HA -0.226 4.124 4.350 0.000 0.000 0.200 335 E C 1.732 178.350 176.600 0.030 0.000 1.008 335 E CA 0.753 57.196 56.400 0.071 0.000 0.829 335 E CB -0.047 29.732 29.700 0.131 0.000 0.744 335 E HN 0.269 nan 8.360 nan 0.000 0.491 336 L N -0.368 120.828 121.223 -0.045 0.000 2.275 336 L HA -0.024 4.316 4.340 0.000 0.000 0.215 336 L C 1.454 178.294 176.870 -0.051 0.000 1.119 336 L CA 1.419 56.199 54.840 -0.102 0.000 0.790 336 L CB -0.651 41.210 42.059 -0.330 0.000 0.919 336 L HN 0.235 nan 8.230 nan 0.000 0.443 337 G N 0.011 108.790 108.800 -0.036 0.000 2.314 337 G HA2 -0.272 3.688 3.960 0.000 0.000 0.292 337 G HA3 -0.272 3.688 3.960 0.000 0.000 0.292 337 G C 0.007 174.950 174.900 0.072 0.000 1.059 337 G CA 0.190 45.309 45.100 0.031 0.000 0.982 337 G HN 0.259 nan 8.290 nan 0.000 0.505 338 L N -0.632 120.551 121.223 -0.068 0.000 2.344 338 L HA 0.871 5.211 4.340 0.000 0.000 0.272 338 L C 0.596 177.303 176.870 -0.272 0.000 1.035 338 L CA -0.806 53.951 54.840 -0.139 0.000 0.807 338 L CB 1.865 43.752 42.059 -0.286 0.000 1.237 338 L HN 0.543 nan 8.230 nan 0.000 0.442 339 K N 0.341 120.422 120.400 -0.531 0.000 2.615 339 K HA 0.504 4.824 4.320 0.000 0.000 0.291 339 K C -2.035 174.595 176.600 0.051 0.000 1.017 339 K CA -1.081 55.040 56.287 -0.275 0.000 0.882 339 K CB 2.158 34.405 32.500 -0.423 0.000 1.522 339 K HN 0.537 nan 8.250 nan 0.000 0.412 340 W N 1.787 123.068 121.300 -0.031 0.000 3.213 340 W HA 0.324 4.984 4.660 0.000 0.000 0.318 340 W C -1.310 175.264 176.519 0.092 0.000 1.248 340 W CA -0.812 56.574 57.345 0.068 0.000 1.187 340 W CB 1.653 31.028 29.460 -0.142 0.000 1.403 340 W HN 0.686 nan 8.180 nan 0.000 0.556 341 Y N 1.119 121.287 120.300 -0.220 0.000 2.425 341 Y HA 0.470 5.020 4.550 0.000 0.000 0.331 341 Y C 0.764 176.882 175.900 0.363 0.000 1.157 341 Y CA -0.019 58.069 58.100 -0.021 0.000 1.372 341 Y CB 0.210 38.529 38.460 -0.235 0.000 1.253 341 Y HN 0.358 nan 8.280 nan 0.000 0.536 342 A N 3.673 126.732 122.820 0.398 0.000 2.261 342 A HA 0.253 4.573 4.320 0.000 0.000 0.208 342 A C -0.099 177.777 177.584 0.487 0.000 1.223 342 A CA 0.073 52.387 52.037 0.463 0.000 0.833 342 A CB -0.678 18.432 19.000 0.183 0.000 0.830 342 A HN 0.693 nan 8.150 nan 0.000 0.483 343 L N 0.985 122.510 121.223 0.504 0.000 2.457 343 L HA 0.436 4.776 4.340 0.000 0.000 0.266 343 L C -2.772 174.239 176.870 0.235 0.000 0.979 343 L CA -1.783 53.230 54.840 0.289 0.000 0.857 343 L CB 2.573 44.736 42.059 0.174 0.000 1.213 343 L HN -0.090 nan 8.230 nan 0.000 0.418 344 P HA 0.431 nan 4.420 nan 0.000 0.291 344 P C -1.386 175.843 177.300 -0.118 0.000 1.340 344 P CA -0.266 62.683 63.100 -0.251 0.000 0.799 344 P CB 1.503 32.660 31.700 -0.905 0.000 0.917 345 A N 4.284 127.069 122.820 -0.057 0.000 2.411 345 A HA 0.444 4.764 4.320 0.000 0.000 0.285 345 A C -0.498 176.957 177.584 -0.215 0.000 1.129 345 A CA -0.682 51.283 52.037 -0.121 0.000 0.736 345 A CB 1.170 20.149 19.000 -0.034 0.000 1.186 345 A HN 0.290 nan 8.150 nan 0.000 0.445 346 V N 2.567 122.236 119.914 -0.408 0.000 2.455 346 V HA 0.372 4.492 4.120 0.000 0.000 0.273 346 V C 1.239 176.977 176.094 -0.594 0.000 1.045 346 V CA 0.947 62.953 62.300 -0.490 0.000 0.976 346 V CB 0.981 32.458 31.823 -0.577 0.000 0.993 346 V HN 1.113 nan 8.190 nan 0.000 0.475 347 A N 4.247 126.871 122.820 -0.327 0.000 2.140 347 A HA 0.072 4.392 4.320 0.000 0.000 0.209 347 A C 1.445 178.940 177.584 -0.148 0.000 1.181 347 A CA 0.526 52.426 52.037 -0.228 0.000 0.824 347 A CB -0.180 18.747 19.000 -0.122 0.000 0.879 347 A HN 0.914 nan 8.150 nan 0.000 0.480 348 N N -1.187 117.432 118.700 -0.135 0.000 2.268 348 N HA 0.229 4.969 4.740 0.000 0.000 0.204 348 N C 0.252 175.764 175.510 0.004 0.000 1.124 348 N CA -0.211 52.802 53.050 -0.061 0.000 0.838 348 N CB 0.076 38.513 38.487 -0.084 0.000 0.994 348 N HN 0.337 nan 8.380 nan 0.000 0.489 349 M N 1.275 120.874 119.600 -0.002 0.000 2.359 349 M HA 0.319 4.799 4.480 0.000 0.000 0.322 349 M C -0.550 175.889 176.300 0.232 0.000 1.166 349 M CA -0.781 54.605 55.300 0.143 0.000 1.067 349 M CB 2.223 34.940 32.600 0.194 0.000 1.523 349 M HN 0.126 nan 8.290 nan 0.000 0.467 350 L N 2.826 124.228 121.223 0.298 0.000 2.307 350 L HA 0.547 4.887 4.340 0.000 0.000 0.284 350 L C -1.403 175.718 176.870 0.419 0.000 1.023 350 L CA -1.018 54.019 54.840 0.329 0.000 0.810 350 L CB 1.275 43.490 42.059 0.260 0.000 1.231 350 L HN 0.594 nan 8.230 nan 0.000 0.423 351 L N 5.101 126.569 121.223 0.408 0.000 2.265 351 L HA 0.458 4.798 4.340 0.000 0.000 0.288 351 L C -0.432 176.616 176.870 0.296 0.000 1.058 351 L CA 0.365 55.385 54.840 0.300 0.000 0.809 351 L CB 1.064 43.253 42.059 0.216 0.000 1.179 351 L HN 0.635 nan 8.230 nan 0.000 0.429 352 E N 4.825 125.159 120.200 0.223 0.000 2.171 352 E HA 0.503 4.853 4.350 0.000 0.000 0.271 352 E C -1.846 174.797 176.600 0.072 0.000 0.916 352 E CA -0.446 56.081 56.400 0.211 0.000 0.774 352 E CB 1.917 31.819 29.700 0.337 0.000 1.128 352 E HN 0.530 nan 8.360 nan 0.000 0.403 353 V N 3.056 122.985 119.914 0.024 0.000 2.697 353 V HA 0.518 4.638 4.120 0.000 0.000 0.300 353 V C 0.203 176.204 176.094 -0.155 0.000 1.115 353 V CA 0.519 62.713 62.300 -0.178 0.000 0.912 353 V CB 1.085 32.673 31.823 -0.390 0.000 1.024 353 V HN 0.862 nan 8.190 nan 0.000 0.431 354 G N 4.382 113.158 108.800 -0.039 0.000 2.305 354 G HA2 0.089 4.049 3.960 0.000 0.000 0.287 354 G HA3 0.089 4.049 3.960 0.000 0.000 0.287 354 G C 1.642 176.724 174.900 0.303 0.000 1.036 354 G CA 1.257 46.492 45.100 0.225 0.000 0.887 354 G HN 2.751 nan 8.290 nan 0.000 0.505 355 G N -2.212 106.728 108.800 0.235 0.000 2.267 355 G HA2 -0.211 3.749 3.960 0.000 0.000 0.257 355 G HA3 -0.211 3.749 3.960 0.000 0.000 0.257 355 G C 0.513 175.499 174.900 0.143 0.000 0.998 355 G CA 0.611 45.883 45.100 0.287 0.000 0.620 355 G HN 1.296 nan 8.290 nan 0.000 0.529 356 L N 1.431 122.695 121.223 0.069 0.000 2.417 356 L HA 0.575 4.915 4.340 0.000 0.000 0.268 356 L C 0.378 177.203 176.870 -0.075 0.000 1.158 356 L CA 0.336 55.126 54.840 -0.084 0.000 0.819 356 L CB 0.968 42.887 42.059 -0.232 0.000 1.112 356 L HN 0.414 nan 8.230 nan 0.000 0.458 357 E N 3.514 123.600 120.200 -0.191 0.000 2.210 357 E HA 0.335 4.685 4.350 0.000 0.000 0.266 357 E C -1.484 174.962 176.600 -0.258 0.000 0.883 357 E CA -0.299 56.044 56.400 -0.095 0.000 0.761 357 E CB 1.660 31.336 29.700 -0.040 0.000 1.156 357 E HN 0.244 nan 8.360 nan 0.000 0.412 358 F N 3.759 123.739 119.950 0.049 0.000 2.359 358 F HA 0.253 4.780 4.527 0.000 0.000 0.370 358 F C -1.480 174.395 175.800 0.124 0.000 1.077 358 F CA -2.075 55.968 58.000 0.072 0.000 1.136 358 F CB 1.340 40.372 39.000 0.053 0.000 1.387 358 F HN 0.363 nan 8.300 nan 0.000 0.468 359 P HA -0.049 nan 4.420 nan 0.000 0.234 359 P C 0.013 177.454 177.300 0.235 0.000 1.167 359 P CA 0.642 63.865 63.100 0.205 0.000 0.763 359 P CB 0.467 32.258 31.700 0.152 0.000 0.835 360 A N 0.351 123.358 122.820 0.311 0.000 2.466 360 A HA 0.532 4.852 4.320 0.000 0.000 0.291 360 A C -0.159 177.667 177.584 0.403 0.000 1.234 360 A CA -0.434 51.806 52.037 0.340 0.000 0.752 360 A CB 0.184 19.398 19.000 0.358 0.000 1.153 360 A HN 0.294 nan 8.150 nan 0.000 0.458 361 C N 0.983 120.443 119.300 0.267 0.000 3.319 361 C HA 0.503 4.963 4.460 0.000 0.000 0.258 361 C C -2.999 172.023 174.990 0.053 0.000 1.068 361 C CA -1.673 57.443 59.018 0.163 0.000 1.193 361 C CB 0.013 27.855 27.740 0.171 0.000 1.770 361 C HN 0.565 nan 8.230 nan 0.000 0.604 362 P HA 0.325 nan 4.420 nan 0.000 0.267 362 P C -0.613 176.508 177.300 -0.298 0.000 1.205 362 P CA 0.878 63.804 63.100 -0.290 0.000 0.765 362 P CB 0.421 31.987 31.700 -0.223 0.000 0.828 363 F N 0.986 120.782 119.950 -0.256 0.000 2.603 363 F HA 0.700 5.227 4.527 0.000 0.000 0.317 363 F C -0.291 175.406 175.800 -0.172 0.000 1.066 363 F CA -1.122 56.731 58.000 -0.246 0.000 0.941 363 F CB 1.764 40.488 39.000 -0.459 0.000 1.291 363 F HN 0.320 nan 8.300 nan 0.000 0.472 364 N N -0.070 118.686 118.700 0.092 0.000 2.732 364 N HA 0.794 5.534 4.740 0.000 0.000 0.259 364 N C -1.221 174.201 175.510 -0.148 0.000 1.402 364 N CA -0.370 52.670 53.050 -0.016 0.000 0.829 364 N CB 1.951 40.490 38.487 0.086 0.000 1.495 364 N HN 1.116 nan 8.380 nan 0.000 0.511 365 G N -1.036 107.667 108.800 -0.161 0.000 2.772 365 G HA2 0.554 4.514 3.960 0.000 0.000 0.284 365 G HA3 0.554 4.514 3.960 0.000 0.000 0.284 365 G C -1.978 172.914 174.900 -0.014 0.000 1.217 365 G CA -0.715 44.257 45.100 -0.214 0.000 0.831 365 G HN 0.698 nan 8.290 nan 0.000 0.523 366 W N -1.194 120.090 121.300 -0.027 0.000 2.576 366 W HA 0.840 5.500 4.660 0.000 0.000 0.360 366 W C -1.075 175.414 176.519 -0.049 0.000 1.109 366 W CA -1.770 55.568 57.345 -0.011 0.000 1.237 366 W CB 0.488 29.984 29.460 0.059 0.000 1.369 366 W HN 0.413 nan 8.180 nan 0.000 0.609 367 Y N 1.811 122.275 120.300 0.273 0.000 2.300 367 Y HA 0.335 4.885 4.550 0.000 0.000 0.328 367 Y C 0.500 176.412 175.900 0.020 0.000 1.270 367 Y CA -1.152 56.977 58.100 0.048 0.000 1.352 367 Y CB 1.265 39.651 38.460 -0.123 0.000 1.286 367 Y HN 0.370 nan 8.280 nan 0.000 0.536 368 M N 1.639 121.356 119.600 0.193 0.000 2.181 368 M HA 0.330 4.810 4.480 0.000 0.000 0.323 368 M C 1.043 177.275 176.300 -0.112 0.000 1.004 368 M CA -0.256 55.073 55.300 0.048 0.000 0.941 368 M CB 1.357 33.974 32.600 0.030 0.000 1.579 368 M HN 0.873 nan 8.290 nan 0.000 0.427 369 G N 1.770 110.460 108.800 -0.183 0.000 2.663 369 G HA2 -0.364 3.597 3.960 0.000 0.000 0.222 369 G HA3 -0.364 3.597 3.960 0.000 0.000 0.222 369 G C 1.132 175.814 174.900 -0.363 0.000 1.146 369 G CA 2.108 47.022 45.100 -0.310 0.000 0.764 369 G HN 0.857 nan 8.290 nan 0.000 0.608 370 T N -0.875 113.479 114.554 -0.332 0.000 2.849 370 T HA -0.057 4.293 4.350 0.000 0.000 0.270 370 T C 1.932 176.409 174.700 -0.372 0.000 1.066 370 T CA 1.695 63.560 62.100 -0.390 0.000 1.130 370 T CB -0.296 68.285 68.868 -0.479 0.000 0.864 370 T HN 0.577 nan 8.240 nan 0.000 0.481 371 E N 1.009 120.999 120.200 -0.348 0.000 2.051 371 E HA -0.047 4.303 4.350 0.000 0.000 0.192 371 E C 2.119 178.354 176.600 -0.609 0.000 0.991 371 E CA 1.452 57.648 56.400 -0.340 0.000 0.799 371 E CB -0.325 29.307 29.700 -0.113 0.000 0.748 371 E HN 0.594 nan 8.360 nan 0.000 0.449 372 I N 0.515 120.551 120.570 -0.890 0.000 2.270 372 I HA -0.072 4.098 4.170 0.000 0.000 0.239 372 I C 2.656 178.117 176.117 -1.093 0.000 1.080 372 I CA 1.052 61.524 61.300 -1.379 0.000 1.383 372 I CB -0.657 36.455 38.000 -1.479 0.000 1.097 372 I HN 0.099 nan 8.210 nan 0.000 0.420 373 G N 0.647 109.083 108.800 -0.606 0.000 2.440 373 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 373 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 373 G C 1.594 176.416 174.900 -0.131 0.000 1.154 373 G CA 1.292 46.267 45.100 -0.208 0.000 0.767 373 G HN 0.247 nan 8.290 nan 0.000 0.552 374 V N 0.126 119.898 119.914 -0.237 0.000 2.490 374 V HA 0.083 4.203 4.120 0.000 0.000 0.238 374 V C 2.783 178.784 176.094 -0.154 0.000 1.056 374 V CA 0.913 63.111 62.300 -0.171 0.000 1.075 374 V CB -0.332 31.360 31.823 -0.218 0.000 0.746 374 V HN 0.101 nan 8.190 nan 0.000 0.479 375 R N 0.933 121.297 120.500 -0.227 0.000 2.060 375 R HA -0.052 4.288 4.340 0.000 0.000 0.225 375 R C 2.010 178.218 176.300 -0.154 0.000 1.155 375 R CA 1.650 57.641 56.100 -0.183 0.000 0.930 375 R CB -1.276 28.898 30.300 -0.210 0.000 0.829 375 R HN 0.464 nan 8.270 nan 0.000 0.433 376 D N 0.449 120.647 120.400 -0.337 0.000 2.133 376 D HA -0.150 4.490 4.640 0.000 0.000 0.195 376 D C 1.925 178.203 176.300 -0.037 0.000 0.997 376 D CA 1.202 54.990 54.000 -0.354 0.000 0.840 376 D CB -0.220 39.861 40.800 -1.200 0.000 0.947 376 D HN 0.095 nan 8.370 nan 0.000 0.452 377 F N 0.293 120.146 119.950 -0.162 0.000 2.219 377 F HA 0.018 4.545 4.527 0.000 0.000 0.294 377 F C 2.431 178.269 175.800 0.064 0.000 1.086 377 F CA -0.092 57.899 58.000 -0.015 0.000 1.330 377 F CB -0.732 38.229 39.000 -0.065 0.000 1.047 377 F HN 0.029 nan 8.300 nan 0.000 0.495 378 C N -1.089 118.328 119.300 0.196 0.000 2.780 378 C HA 0.180 4.640 4.460 0.000 0.000 0.267 378 C C 0.406 175.442 174.990 0.077 0.000 1.266 378 C CA -0.808 58.284 59.018 0.123 0.000 1.709 378 C CB -0.876 26.902 27.740 0.065 0.000 1.975 378 C HN 0.099 nan 8.230 nan 0.000 0.582 379 D N 1.884 122.323 120.400 0.065 0.000 2.443 379 D HA 0.078 4.718 4.640 0.000 0.000 0.239 379 D C 1.545 177.886 176.300 0.068 0.000 1.136 379 D CA 0.542 54.567 54.000 0.042 0.000 0.879 379 D CB 0.880 41.699 40.800 0.033 0.000 1.195 379 D HN 0.395 nan 8.370 nan 0.000 0.443 380 T N -0.953 113.630 114.554 0.048 0.000 2.962 380 T HA -0.198 4.152 4.350 0.000 0.000 0.270 380 T C 1.259 175.991 174.700 0.053 0.000 1.088 380 T CA 0.680 62.812 62.100 0.054 0.000 1.127 380 T CB -0.019 68.875 68.868 0.042 0.000 0.883 380 T HN 0.505 nan 8.240 nan 0.000 0.493 381 Q N 0.243 120.072 119.800 0.049 0.000 2.320 381 Q HA 0.215 4.555 4.340 0.000 0.000 0.201 381 Q C 0.803 176.837 176.000 0.057 0.000 0.910 381 Q CA -0.242 55.588 55.803 0.046 0.000 0.946 381 Q CB 0.301 29.062 28.738 0.039 0.000 1.062 381 Q HN 0.337 nan 8.270 nan 0.000 0.503 382 R N -0.351 120.200 120.500 0.085 0.000 2.845 382 R HA 0.258 4.598 4.340 0.000 0.000 0.112 382 R C 1.393 177.755 176.300 0.105 0.000 1.012 382 R CA -0.419 55.758 56.100 0.129 0.000 0.744 382 R CB -1.121 29.318 30.300 0.231 0.000 0.926 382 R HN 0.042 nan 8.270 nan 0.000 0.376 383 Y N 1.639 122.065 120.300 0.209 0.000 2.421 383 Y HA -0.070 4.480 4.550 0.000 0.000 0.292 383 Y C 0.693 176.683 175.900 0.150 0.000 1.136 383 Y CA 1.062 59.293 58.100 0.218 0.000 1.255 383 Y CB -0.150 38.532 38.460 0.370 0.000 0.991 383 Y HN 0.426 nan 8.280 nan 0.000 0.552 384 N N 0.612 119.466 118.700 0.258 0.000 2.725 384 N HA -0.225 4.515 4.740 0.000 0.000 0.251 384 N C 0.310 175.919 175.510 0.166 0.000 1.031 384 N CA 0.870 54.024 53.050 0.173 0.000 0.720 384 N CB -1.443 37.114 38.487 0.118 0.000 0.930 384 N HN 0.677 nan 8.380 nan 0.000 0.543 385 I N -3.200 117.478 120.570 0.181 0.000 3.812 385 I HA 0.087 4.257 4.170 0.000 0.000 0.320 385 I C 1.695 177.901 176.117 0.148 0.000 1.276 385 I CA -0.388 60.990 61.300 0.130 0.000 1.164 385 I CB -0.113 37.916 38.000 0.048 0.000 1.009 385 I HN 0.153 nan 8.210 nan 0.000 0.431 386 L N 1.305 122.632 121.223 0.173 0.000 1.970 386 L HA -0.212 4.128 4.340 0.000 0.000 0.212 386 L C 2.689 179.778 176.870 0.365 0.000 1.071 386 L CA 2.265 57.244 54.840 0.232 0.000 0.751 386 L CB -0.347 41.807 42.059 0.159 0.000 0.889 386 L HN 0.476 nan 8.230 nan 0.000 0.432 387 E N -0.089 120.309 120.200 0.330 0.000 2.058 387 E HA -0.330 4.020 4.350 0.000 0.000 0.194 387 E C 1.953 178.588 176.600 0.058 0.000 0.997 387 E CA 1.745 58.269 56.400 0.207 0.000 0.801 387 E CB 0.036 29.805 29.700 0.115 0.000 0.746 387 E HN 0.334 nan 8.360 nan 0.000 0.450 388 E N -0.021 120.223 120.200 0.074 0.000 2.110 388 E HA -0.146 4.204 4.350 0.000 0.000 0.193 388 E C 1.866 178.497 176.600 0.051 0.000 0.988 388 E CA 1.359 57.778 56.400 0.032 0.000 0.804 388 E CB -0.100 29.623 29.700 0.039 0.000 0.745 388 E HN 0.206 nan 8.360 nan 0.000 0.458 389 V N -0.197 119.806 119.914 0.149 0.000 2.719 389 V HA 0.005 4.125 4.120 0.000 0.000 0.252 389 V C 2.172 178.387 176.094 0.202 0.000 1.065 389 V CA 1.474 63.932 62.300 0.263 0.000 1.086 389 V CB -0.432 31.599 31.823 0.346 0.000 0.700 389 V HN 0.460 nan 8.190 nan 0.000 0.467 390 G N -0.219 108.686 108.800 0.175 0.000 2.421 390 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 390 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 390 G C 1.780 176.592 174.900 -0.146 0.000 1.143 390 G CA 0.301 45.459 45.100 0.096 0.000 0.784 390 G HN 0.388 nan 8.290 nan 0.000 0.541 391 R N -0.099 120.283 120.500 -0.197 0.000 2.057 391 R HA 0.094 4.435 4.340 0.000 0.000 0.229 391 R C 2.578 178.725 176.300 -0.254 0.000 1.136 391 R CA 0.694 56.655 56.100 -0.232 0.000 0.952 391 R CB -0.249 29.933 30.300 -0.196 0.000 0.848 391 R HN 0.161 nan 8.270 nan 0.000 0.430 392 R N 0.049 120.344 120.500 -0.341 0.000 2.377 392 R HA -0.009 4.331 4.340 0.000 0.000 0.207 392 R C 1.673 177.492 176.300 -0.802 0.000 1.075 392 R CA 0.789 56.464 56.100 -0.709 0.000 1.035 392 R CB 0.058 29.732 30.300 -1.043 0.000 0.857 392 R HN 0.260 nan 8.270 nan 0.000 0.475 393 M N -1.321 118.101 119.600 -0.298 0.000 2.414 393 M HA 0.149 4.629 4.480 0.000 0.000 0.251 393 M C 0.574 176.878 176.300 0.008 0.000 1.116 393 M CA 0.286 55.589 55.300 0.005 0.000 1.056 393 M CB 1.151 33.841 32.600 0.150 0.000 1.388 393 M HN 0.297 nan 8.290 nan 0.000 0.487 394 G N 2.568 111.314 108.800 -0.090 0.000 2.289 394 G HA2 -0.217 3.743 3.960 0.000 0.000 0.280 394 G HA3 -0.217 3.743 3.960 0.000 0.000 0.280 394 G C -0.484 174.391 174.900 -0.042 0.000 1.089 394 G CA -0.100 44.957 45.100 -0.072 0.000 0.939 394 G HN 0.390 nan 8.290 nan 0.000 0.499 395 L N -1.261 119.917 121.223 -0.075 0.000 2.322 395 L HA 0.561 4.901 4.340 0.000 0.000 0.269 395 L C 0.638 177.403 176.870 -0.176 0.000 1.012 395 L CA -1.229 53.580 54.840 -0.052 0.000 0.815 395 L CB 1.302 43.389 42.059 0.048 0.000 1.295 395 L HN 0.141 nan 8.230 nan 0.000 0.438 396 E N 0.277 120.408 120.200 -0.115 0.000 1.774 396 E HA -0.001 4.349 4.350 0.000 0.000 0.265 396 E C 0.460 176.783 176.600 -0.462 0.000 1.207 396 E CA -0.061 56.244 56.400 -0.158 0.000 1.054 396 E CB 0.107 29.799 29.700 -0.013 0.000 1.074 396 E HN 0.481 nan 8.360 nan 0.000 0.433 397 T N 1.178 115.248 114.554 -0.806 0.000 3.025 397 T HA -0.121 4.230 4.350 0.000 0.000 0.270 397 T C 0.908 175.009 174.700 -1.000 0.000 1.126 397 T CA 0.935 62.132 62.100 -1.506 0.000 1.105 397 T CB -0.067 68.022 68.868 -1.298 0.000 0.884 397 T HN 0.508 nan 8.240 nan 0.000 0.522 398 H N -0.226 118.685 119.070 -0.265 0.000 2.639 398 H HA 0.184 4.740 4.556 0.000 0.000 0.267 398 H C 0.591 175.945 175.328 0.044 0.000 0.958 398 H CA 0.470 56.479 56.048 -0.065 0.000 1.221 398 H CB 0.460 30.183 29.762 -0.066 0.000 1.446 398 H HN 0.174 nan 8.280 nan 0.000 0.512 399 T N 3.326 117.963 114.554 0.137 0.000 2.891 399 T HA 0.070 4.421 4.350 0.000 0.000 0.315 399 T C 1.413 176.269 174.700 0.260 0.000 1.054 399 T CA -0.197 62.000 62.100 0.162 0.000 0.958 399 T CB 1.049 69.987 68.868 0.117 0.000 1.008 399 T HN 0.023 nan 8.240 nan 0.000 0.521 400 L N 3.899 125.281 121.223 0.265 0.000 2.043 400 L HA -0.102 4.238 4.340 0.000 0.000 0.212 400 L C 2.501 179.466 176.870 0.159 0.000 1.075 400 L CA 1.977 56.970 54.840 0.255 0.000 0.752 400 L CB -0.712 41.436 42.059 0.150 0.000 0.891 400 L HN 0.697 nan 8.230 nan 0.000 0.432 401 A N -1.263 121.632 122.820 0.125 0.000 2.076 401 A HA -0.215 4.105 4.320 0.000 0.000 0.220 401 A C 2.381 180.024 177.584 0.099 0.000 1.160 401 A CA 1.624 53.712 52.037 0.086 0.000 0.653 401 A CB -1.016 18.026 19.000 0.071 0.000 0.801 401 A HN 0.668 nan 8.150 nan 0.000 0.455 402 S N -0.501 115.295 115.700 0.159 0.000 2.547 402 S HA 0.080 4.550 4.470 0.000 0.000 0.235 402 S C 0.868 175.564 174.600 0.159 0.000 0.980 402 S CA 0.694 58.992 58.200 0.164 0.000 0.941 402 S CB -0.814 62.505 63.200 0.199 0.000 0.763 402 S HN 0.883 nan 8.310 nan 0.000 0.532 403 L N 0.132 121.422 121.223 0.112 0.000 3.865 403 L HA -0.181 4.159 4.340 0.000 0.000 0.408 403 L C 1.644 178.547 176.870 0.055 0.000 1.209 403 L CA 0.823 55.676 54.840 0.022 0.000 0.940 403 L CB -2.742 39.331 42.059 0.023 0.000 1.971 403 L HN 0.761 nan 8.230 nan 0.000 0.899 404 W N 0.435 121.744 121.300 0.014 0.000 2.363 404 W HA -0.135 4.525 4.660 0.000 0.000 0.296 404 W C 1.739 178.267 176.519 0.016 0.000 1.212 404 W CA 1.342 58.696 57.345 0.014 0.000 1.260 404 W CB -0.766 28.694 29.460 0.000 0.000 1.131 404 W HN 0.251 nan 8.180 nan 0.000 0.530 405 K N 0.850 120.797 120.400 -0.754 0.000 2.103 405 K HA -0.180 4.140 4.320 0.000 0.000 0.207 405 K C 1.497 177.943 176.600 -0.257 0.000 1.048 405 K CA 2.256 58.106 56.287 -0.728 0.000 0.930 405 K CB -0.378 31.551 32.500 -0.953 0.000 0.716 405 K HN 0.004 nan 8.250 nan 0.000 0.444 406 D N 0.202 120.493 120.400 -0.181 0.000 2.144 406 D HA -0.118 4.522 4.640 0.000 0.000 0.200 406 D C 1.952 178.245 176.300 -0.011 0.000 0.978 406 D CA 1.026 54.980 54.000 -0.078 0.000 0.833 406 D CB 0.046 40.815 40.800 -0.052 0.000 0.961 406 D HN 0.033 nan 8.370 nan 0.000 0.470 407 R N 0.467 120.986 120.500 0.033 0.000 2.062 407 R HA 0.072 4.412 4.340 0.000 0.000 0.229 407 R C 2.007 178.359 176.300 0.086 0.000 1.128 407 R CA 1.393 57.541 56.100 0.080 0.000 0.960 407 R CB -0.484 29.894 30.300 0.130 0.000 0.855 407 R HN 0.112 nan 8.270 nan 0.000 0.432 408 A N -0.098 122.796 122.820 0.124 0.000 1.851 408 A HA -0.173 4.147 4.320 0.000 0.000 0.216 408 A C 2.268 179.906 177.584 0.090 0.000 1.195 408 A CA 1.861 53.989 52.037 0.151 0.000 0.622 408 A CB -1.285 17.870 19.000 0.258 0.000 0.831 408 A HN 0.255 nan 8.150 nan 0.000 0.444 409 V N 0.131 120.071 119.914 0.043 0.000 2.546 409 V HA -0.235 3.885 4.120 0.000 0.000 0.254 409 V C 2.505 178.597 176.094 -0.002 0.000 1.076 409 V CA 2.924 65.233 62.300 0.014 0.000 1.087 409 V CB -0.914 30.887 31.823 -0.035 0.000 0.674 409 V HN 0.685 nan 8.190 nan 0.000 0.470 410 T N -0.336 114.222 114.554 0.006 0.000 2.821 410 T HA -0.106 4.244 4.350 0.000 0.000 0.267 410 T C 1.760 176.444 174.700 -0.027 0.000 1.046 410 T CA 1.387 63.491 62.100 0.006 0.000 1.139 410 T CB -0.195 68.692 68.868 0.032 0.000 0.871 410 T HN 0.521 nan 8.240 nan 0.000 0.454 411 E N 1.198 121.382 120.200 -0.027 0.000 2.072 411 E HA 0.033 4.383 4.350 0.000 0.000 0.191 411 E C 2.267 178.706 176.600 -0.268 0.000 0.985 411 E CA 0.662 57.007 56.400 -0.092 0.000 0.801 411 E CB -0.478 29.172 29.700 -0.084 0.000 0.750 411 E HN 0.511 nan 8.360 nan 0.000 0.452 412 I N 1.654 122.161 120.570 -0.105 0.000 2.208 412 I HA -0.274 3.897 4.170 0.000 0.000 0.245 412 I C 2.052 178.124 176.117 -0.075 0.000 1.097 412 I CA 0.921 62.208 61.300 -0.022 0.000 1.363 412 I CB -0.390 37.711 38.000 0.169 0.000 1.051 412 I HN 0.055 nan 8.210 nan 0.000 0.413 413 N N 0.807 119.456 118.700 -0.086 0.000 2.142 413 N HA -0.131 4.609 4.740 0.000 0.000 0.186 413 N C 1.985 177.419 175.510 -0.127 0.000 1.023 413 N CA 1.841 54.831 53.050 -0.101 0.000 0.852 413 N CB -0.300 38.141 38.487 -0.076 0.000 0.998 413 N HN 0.402 nan 8.380 nan 0.000 0.424 414 V N -1.148 118.654 119.914 -0.187 0.000 2.809 414 V HA 0.097 4.218 4.120 0.000 0.000 0.256 414 V C 2.194 178.084 176.094 -0.339 0.000 1.080 414 V CA 1.464 63.626 62.300 -0.230 0.000 1.102 414 V CB -0.884 30.793 31.823 -0.244 0.000 0.705 414 V HN 0.150 nan 8.190 nan 0.000 0.475 415 A N 0.700 123.219 122.820 -0.502 0.000 1.854 415 A HA -0.034 4.286 4.320 0.000 0.000 0.214 415 A C 2.376 179.900 177.584 -0.101 0.000 1.192 415 A CA 2.009 53.745 52.037 -0.502 0.000 0.611 415 A CB -0.941 17.509 19.000 -0.917 0.000 0.832 415 A HN 0.406 nan 8.150 nan 0.000 0.442 416 V N -0.162 119.735 119.914 -0.029 0.000 2.282 416 V HA -0.290 3.830 4.120 0.000 0.000 0.249 416 V C 2.582 178.723 176.094 0.078 0.000 1.057 416 V CA 2.223 64.570 62.300 0.077 0.000 1.032 416 V CB -0.822 30.964 31.823 -0.061 0.000 0.645 416 V HN 0.497 nan 8.190 nan 0.000 0.447 417 L N -0.583 120.632 121.223 -0.012 0.000 1.994 417 L HA -0.198 4.142 4.340 0.000 0.000 0.208 417 L C 2.513 179.439 176.870 0.094 0.000 1.071 417 L CA 2.344 57.190 54.840 0.011 0.000 0.745 417 L CB -1.163 40.893 42.059 -0.004 0.000 0.892 417 L HN 0.490 nan 8.230 nan 0.000 0.431 418 H N -1.144 117.912 119.070 -0.023 0.000 2.319 418 H HA -0.143 4.413 4.556 0.000 0.000 0.299 418 H C 2.155 177.503 175.328 0.034 0.000 1.092 418 H CA 1.764 57.802 56.048 -0.017 0.000 1.302 418 H CB 0.376 30.087 29.762 -0.085 0.000 1.373 418 H HN 0.303 nan 8.280 nan 0.000 0.497 419 S N 0.206 115.899 115.700 -0.011 0.000 2.359 419 S HA -0.143 4.327 4.470 0.000 0.000 0.224 419 S C 1.977 176.571 174.600 -0.010 0.000 1.035 419 S CA 1.402 59.581 58.200 -0.034 0.000 1.018 419 S CB -0.524 62.738 63.200 0.104 0.000 0.876 419 S HN 0.309 nan 8.310 nan 0.000 0.448 420 F N 1.816 121.726 119.950 -0.068 0.000 2.186 420 F HA -0.085 4.442 4.527 0.000 0.000 0.299 420 F C 2.641 178.399 175.800 -0.069 0.000 1.090 420 F CA 1.126 59.099 58.000 -0.044 0.000 1.307 420 F CB -0.452 38.538 39.000 -0.017 0.000 1.019 420 F HN 0.214 nan 8.300 nan 0.000 0.489 421 Q N -0.343 119.515 119.800 0.097 0.000 2.123 421 Q HA -0.185 4.155 4.340 0.000 0.000 0.199 421 Q C 2.183 178.144 176.000 -0.065 0.000 0.966 421 Q CA 1.254 57.064 55.803 0.011 0.000 0.845 421 Q CB -0.162 28.581 28.738 0.010 0.000 0.907 421 Q HN 0.330 nan 8.270 nan 0.000 0.439 422 K N 1.029 121.333 120.400 -0.160 0.000 2.001 422 K HA -0.148 4.172 4.320 0.000 0.000 0.208 422 K C 1.401 177.930 176.600 -0.118 0.000 1.048 422 K CA 1.230 57.404 56.287 -0.188 0.000 0.932 422 K CB 0.147 32.446 32.500 -0.336 0.000 0.715 422 K HN 0.165 nan 8.250 nan 0.000 0.437 423 Q N 1.054 120.781 119.800 -0.121 0.000 2.344 423 Q HA 0.043 4.383 4.340 0.000 0.000 0.212 423 Q C -0.634 175.313 176.000 -0.088 0.000 0.943 423 Q CA -0.148 55.590 55.803 -0.109 0.000 0.955 423 Q CB -0.032 28.618 28.738 -0.147 0.000 1.000 423 Q HN 0.286 nan 8.270 nan 0.000 0.488 424 N N 0.231 118.893 118.700 -0.064 0.000 2.707 424 N HA -0.160 4.580 4.740 0.000 0.000 0.253 424 N C -1.302 174.186 175.510 -0.037 0.000 0.998 424 N CA 0.641 53.664 53.050 -0.046 0.000 0.751 424 N CB -1.011 37.448 38.487 -0.046 0.000 0.920 424 N HN 0.057 nan 8.380 nan 0.000 0.539 425 V N 0.540 120.449 119.914 -0.010 0.000 2.495 425 V HA 0.268 4.388 4.120 0.000 0.000 0.298 425 V C 0.779 176.969 176.094 0.160 0.000 1.031 425 V CA -0.771 61.557 62.300 0.046 0.000 0.871 425 V CB 2.143 33.943 31.823 -0.038 0.000 0.988 425 V HN 0.161 nan 8.190 nan 0.000 0.432 426 T N 6.055 120.658 114.554 0.081 0.000 2.908 426 T HA 0.435 4.785 4.350 0.000 0.000 0.301 426 T C -0.261 174.497 174.700 0.097 0.000 1.019 426 T CA 0.816 62.891 62.100 -0.041 0.000 1.152 426 T CB 0.100 68.787 68.868 -0.301 0.000 0.966 426 T HN 0.565 nan 8.240 nan 0.000 0.540 427 I N 2.412 122.970 120.570 -0.020 0.000 2.882 427 I HA 0.532 4.702 4.170 0.000 0.000 0.298 427 I C -1.559 174.558 176.117 -0.000 0.000 1.462 427 I CA -1.011 60.277 61.300 -0.019 0.000 1.000 427 I CB 2.117 39.990 38.000 -0.211 0.000 1.340 427 I HN 0.624 nan 8.210 nan 0.000 0.462 428 M N 6.405 126.056 119.600 0.085 0.000 2.327 428 M HA 0.384 4.864 4.480 0.000 0.000 0.298 428 M C -1.506 174.843 176.300 0.082 0.000 1.065 428 M CA -0.648 54.724 55.300 0.120 0.000 0.916 428 M CB 1.521 34.285 32.600 0.273 0.000 1.630 428 M HN 0.544 nan 8.290 nan 0.000 0.442 429 D N 3.319 123.768 120.400 0.081 0.000 2.344 429 D HA 0.037 4.677 4.640 0.000 0.000 0.244 429 D C 0.804 177.185 176.300 0.135 0.000 1.134 429 D CA -0.139 53.934 54.000 0.121 0.000 0.930 429 D CB 0.500 41.372 40.800 0.120 0.000 1.175 429 D HN 0.814 nan 8.370 nan 0.000 0.437 430 H N 0.455 119.470 119.070 -0.093 0.000 2.456 430 H HA -0.151 4.405 4.556 0.000 0.000 0.296 430 H C 1.212 176.422 175.328 -0.197 0.000 1.079 430 H CA 1.260 57.205 56.048 -0.173 0.000 1.322 430 H CB -0.667 28.935 29.762 -0.266 0.000 1.388 430 H HN 0.529 nan 8.280 nan 0.000 0.538 431 H N 0.788 119.695 119.070 -0.272 0.000 2.307 431 H HA -0.017 4.539 4.556 0.000 0.000 0.303 431 H C 1.923 177.223 175.328 -0.046 0.000 1.073 431 H CA 1.901 57.834 56.048 -0.192 0.000 1.338 431 H CB -0.204 29.416 29.762 -0.237 0.000 1.389 431 H HN 0.392 nan 8.280 nan 0.000 0.503 432 T N 1.227 115.843 114.554 0.103 0.000 2.788 432 T HA -0.088 4.262 4.350 0.000 0.000 0.268 432 T C 2.302 177.067 174.700 0.109 0.000 1.044 432 T CA 1.059 63.217 62.100 0.096 0.000 1.139 432 T CB -0.345 68.575 68.868 0.088 0.000 0.867 432 T HN 0.413 nan 8.240 nan 0.000 0.454 433 A N 1.463 124.346 122.820 0.105 0.000 1.902 433 A HA -0.084 4.236 4.320 0.000 0.000 0.217 433 A C 2.607 180.271 177.584 0.134 0.000 1.181 433 A CA 1.877 53.988 52.037 0.123 0.000 0.623 433 A CB -0.787 18.271 19.000 0.097 0.000 0.818 433 A HN 0.455 nan 8.150 nan 0.000 0.443 434 S N -0.084 115.674 115.700 0.096 0.000 2.368 434 S HA -0.144 4.326 4.470 0.000 0.000 0.224 434 S C 1.793 176.496 174.600 0.172 0.000 1.029 434 S CA 1.416 59.690 58.200 0.122 0.000 0.988 434 S CB -0.321 62.914 63.200 0.059 0.000 0.838 434 S HN 0.710 nan 8.310 nan 0.000 0.462 435 E N 1.452 121.732 120.200 0.133 0.000 2.150 435 E HA -0.109 4.241 4.350 0.000 0.000 0.193 435 E C 2.389 179.064 176.600 0.124 0.000 0.985 435 E CA 1.356 57.827 56.400 0.118 0.000 0.814 435 E CB -0.215 29.539 29.700 0.090 0.000 0.752 435 E HN 0.638 nan 8.360 nan 0.000 0.466 436 S N 0.687 116.474 115.700 0.144 0.000 2.387 436 S HA -0.148 4.322 4.470 0.000 0.000 0.226 436 S C 1.907 176.614 174.600 0.178 0.000 1.026 436 S CA 0.421 58.707 58.200 0.143 0.000 0.972 436 S CB -0.455 62.833 63.200 0.147 0.000 0.814 436 S HN 0.264 nan 8.310 nan 0.000 0.477 437 F N 2.282 122.285 119.950 0.088 0.000 2.134 437 F HA 0.061 4.588 4.527 0.000 0.000 0.299 437 F C 2.340 178.223 175.800 0.138 0.000 1.097 437 F CA 1.265 59.336 58.000 0.118 0.000 1.264 437 F CB -0.349 38.700 39.000 0.082 0.000 1.001 437 F HN 0.088 nan 8.300 nan 0.000 0.479 438 M N 0.134 119.796 119.600 0.102 0.000 2.086 438 M HA -0.198 4.282 4.480 0.000 0.000 0.261 438 M C 2.239 178.502 176.300 -0.061 0.000 1.067 438 M CA 1.604 56.908 55.300 0.006 0.000 1.116 438 M CB -1.216 31.433 32.600 0.083 0.000 1.348 438 M HN 0.069 nan 8.290 nan 0.000 0.407 439 K N -0.338 120.060 120.400 -0.003 0.000 2.097 439 K HA -0.212 4.109 4.320 0.000 0.000 0.206 439 K C 1.919 178.504 176.600 -0.026 0.000 1.049 439 K CA 1.737 58.022 56.287 -0.003 0.000 0.933 439 K CB -0.588 31.933 32.500 0.035 0.000 0.717 439 K HN 0.387 nan 8.250 nan 0.000 0.442 440 H N -0.307 118.668 119.070 -0.158 0.000 2.326 440 H HA 0.011 4.567 4.556 0.000 0.000 0.301 440 H C 1.979 177.148 175.328 -0.265 0.000 1.081 440 H CA 2.363 58.288 56.048 -0.206 0.000 1.334 440 H CB -0.165 29.430 29.762 -0.278 0.000 1.385 440 H HN 0.231 nan 8.280 nan 0.000 0.504 441 M N -0.115 119.159 119.600 -0.543 0.000 2.117 441 M HA -0.228 4.252 4.480 0.000 0.000 0.262 441 M C 2.121 178.327 176.300 -0.158 0.000 1.065 441 M CA 1.963 57.008 55.300 -0.424 0.000 1.114 441 M CB 0.021 32.403 32.600 -0.362 0.000 1.361 441 M HN 0.407 nan 8.290 nan 0.000 0.408 442 Q N -0.059 119.650 119.800 -0.153 0.000 2.119 442 Q HA -0.151 4.189 4.340 0.000 0.000 0.201 442 Q C 1.670 177.634 176.000 -0.060 0.000 0.972 442 Q CA 1.633 57.383 55.803 -0.089 0.000 0.847 442 Q CB -0.160 28.524 28.738 -0.089 0.000 0.903 442 Q HN 0.521 nan 8.270 nan 0.000 0.433 443 N N 0.387 119.027 118.700 -0.099 0.000 2.166 443 N HA -0.165 4.575 4.740 0.000 0.000 0.186 443 N C 1.515 176.960 175.510 -0.108 0.000 1.019 443 N CA 1.088 54.094 53.050 -0.075 0.000 0.856 443 N CB -0.107 38.353 38.487 -0.044 0.000 0.993 443 N HN 0.188 nan 8.380 nan 0.000 0.426 444 E N -0.216 119.852 120.200 -0.221 0.000 2.072 444 E HA -0.071 4.279 4.350 0.000 0.000 0.191 444 E C 1.500 177.984 176.600 -0.193 0.000 0.985 444 E CA 0.928 57.160 56.400 -0.281 0.000 0.801 444 E CB -0.195 29.204 29.700 -0.501 0.000 0.750 444 E HN 0.395 nan 8.360 nan 0.000 0.452 445 Y N 0.143 120.335 120.300 -0.179 0.000 2.242 445 Y HA -0.061 4.489 4.550 0.000 0.000 0.291 445 Y C 2.420 178.263 175.900 -0.096 0.000 1.137 445 Y CA 1.355 59.383 58.100 -0.121 0.000 1.181 445 Y CB -0.114 38.273 38.460 -0.122 0.000 0.989 445 Y HN -0.022 nan 8.280 nan 0.000 0.527 446 R N 0.422 120.947 120.500 0.041 0.000 2.075 446 R HA -0.147 4.193 4.340 0.000 0.000 0.232 446 R C 2.228 178.514 176.300 -0.023 0.000 1.126 446 R CA 1.333 57.435 56.100 0.002 0.000 0.963 446 R CB -0.445 29.851 30.300 -0.006 0.000 0.858 446 R HN 0.331 nan 8.270 nan 0.000 0.435 447 A N 1.659 124.451 122.820 -0.047 0.000 1.873 447 A HA -0.154 4.166 4.320 0.000 0.000 0.215 447 A C 1.793 179.330 177.584 -0.078 0.000 1.186 447 A CA 1.679 53.684 52.037 -0.053 0.000 0.616 447 A CB -0.128 18.838 19.000 -0.057 0.000 0.823 447 A HN 0.563 nan 8.150 nan 0.000 0.442 448 R N -2.799 117.622 120.500 -0.130 0.000 2.527 448 R HA 0.388 4.728 4.340 0.000 0.000 0.402 448 R C 0.687 176.889 176.300 -0.164 0.000 0.933 448 R CA 0.419 56.438 56.100 -0.135 0.000 1.171 448 R CB -0.666 29.545 30.300 -0.148 0.000 1.612 448 R HN 0.920 nan 8.270 nan 0.000 0.546 449 G N 0.165 108.850 108.800 -0.191 0.000 2.272 449 G HA2 -0.017 3.943 3.960 0.000 0.000 0.280 449 G HA3 -0.017 3.943 3.960 0.000 0.000 0.280 449 G C 0.243 174.866 174.900 -0.461 0.000 1.067 449 G CA 0.200 45.178 45.100 -0.202 0.000 0.902 449 G HN 0.987 nan 8.290 nan 0.000 0.500 450 G N -2.518 105.707 108.800 -0.958 0.000 2.339 450 G HA2 0.547 4.507 3.960 0.000 0.000 0.302 450 G HA3 0.547 4.507 3.960 0.000 0.000 0.302 450 G C -0.774 173.689 174.900 -0.728 0.000 1.425 450 G CA 0.284 44.708 45.100 -1.128 0.000 0.899 450 G HN 1.977 nan 8.290 nan 0.000 0.619 451 C N 2.419 121.498 119.300 -0.369 0.000 2.887 451 C HA 0.645 5.105 4.460 0.000 0.000 0.379 451 C C -2.560 172.333 174.990 -0.162 0.000 1.064 451 C CA -1.171 57.739 59.018 -0.180 0.000 1.282 451 C CB 1.117 28.794 27.740 -0.105 0.000 1.749 451 C HN 0.707 nan 8.230 nan 0.000 0.489 452 P HA 0.349 nan 4.420 nan 0.000 0.266 452 P C -0.518 176.620 177.300 -0.270 0.000 1.215 452 P CA 0.789 63.367 63.100 -0.870 0.000 0.763 452 P CB 0.841 31.992 31.700 -0.915 0.000 0.806 453 A N 3.051 125.793 122.820 -0.129 0.000 2.455 453 A HA 0.430 4.750 4.320 0.000 0.000 0.300 453 A C -0.934 176.710 177.584 0.101 0.000 1.040 453 A CA -0.557 51.528 52.037 0.079 0.000 0.697 453 A CB 1.309 20.470 19.000 0.268 0.000 1.265 453 A HN 0.427 nan 8.150 nan 0.000 0.407 454 D N 2.051 122.517 120.400 0.110 0.000 2.473 454 D HA 0.132 4.772 4.640 0.000 0.000 0.226 454 D C 0.761 177.214 176.300 0.256 0.000 1.089 454 D CA -0.514 53.598 54.000 0.187 0.000 0.883 454 D CB 0.339 41.217 40.800 0.130 0.000 1.029 454 D HN 0.622 nan 8.370 nan 0.000 0.517 455 W N 4.507 125.861 121.300 0.091 0.000 2.321 455 W HA -0.213 4.447 4.660 0.000 0.000 0.306 455 W C 1.718 178.285 176.519 0.079 0.000 1.217 455 W CA 1.172 58.554 57.345 0.062 0.000 1.257 455 W CB -0.023 29.454 29.460 0.029 0.000 1.145 455 W HN 0.453 nan 8.180 nan 0.000 0.509 456 I N -1.011 119.880 120.570 0.535 0.000 2.335 456 I HA -0.297 3.873 4.170 0.000 0.000 0.251 456 I C 1.720 177.976 176.117 0.231 0.000 1.129 456 I CA 1.374 62.928 61.300 0.422 0.000 1.402 456 I CB -0.660 37.594 38.000 0.424 0.000 1.069 456 I HN 0.123 nan 8.210 nan 0.000 0.424 457 W N 0.287 121.592 121.300 0.008 0.000 2.630 457 W HA 0.138 4.798 4.660 0.000 0.000 0.271 457 W C 2.264 178.688 176.519 -0.158 0.000 1.244 457 W CA 0.189 57.504 57.345 -0.050 0.000 1.353 457 W CB -0.425 29.028 29.460 -0.010 0.000 1.080 457 W HN -0.071 nan 8.180 nan 0.000 0.594 458 L N -0.179 121.023 121.223 -0.035 0.000 2.156 458 L HA -0.050 4.290 4.340 0.000 0.000 0.208 458 L C 0.655 177.321 176.870 -0.340 0.000 1.095 458 L CA 0.439 55.122 54.840 -0.262 0.000 0.770 458 L CB -0.902 40.923 42.059 -0.390 0.000 0.914 458 L HN -0.399 nan 8.230 nan 0.000 0.439 459 V N 1.494 121.132 119.914 -0.460 0.000 2.439 459 V HA 0.123 4.243 4.120 0.000 0.000 0.271 459 V C -1.856 174.069 176.094 -0.282 0.000 1.040 459 V CA -1.402 60.616 62.300 -0.470 0.000 1.002 459 V CB 0.351 31.668 31.823 -0.844 0.000 1.000 459 V HN 0.039 nan 8.190 nan 0.000 0.477 460 P HA 0.025 nan 4.420 nan 0.000 0.264 460 P C -1.713 175.479 177.300 -0.180 0.000 1.179 460 P CA -0.766 62.227 63.100 -0.178 0.000 0.763 460 P CB 0.087 31.730 31.700 -0.094 0.000 0.806 461 P HA -0.047 nan 4.420 nan 0.000 0.236 461 P C 0.022 177.229 177.300 -0.156 0.000 1.172 461 P CA 1.074 64.064 63.100 -0.184 0.000 0.759 461 P CB 0.436 32.007 31.700 -0.214 0.000 0.843 462 V N -1.270 118.545 119.914 -0.165 0.000 3.012 462 V HA 0.310 4.430 4.120 0.000 0.000 0.307 462 V C -0.113 175.964 176.094 -0.028 0.000 1.166 462 V CA -0.458 61.774 62.300 -0.115 0.000 0.974 462 V CB 1.852 33.574 31.823 -0.169 0.000 1.040 462 V HN -0.011 nan 8.190 nan 0.000 0.428 463 S N 3.134 118.837 115.700 0.004 0.000 3.682 463 S HA -0.185 4.285 4.470 0.000 0.000 0.354 463 S C 1.380 175.960 174.600 -0.034 0.000 1.034 463 S CA 1.058 59.275 58.200 0.029 0.000 1.084 463 S CB -1.423 61.866 63.200 0.148 0.000 0.903 463 S HN 1.734 nan 8.310 nan 0.000 0.470 464 G N 2.548 111.296 108.800 -0.085 0.000 2.721 464 G HA2 -0.335 3.625 3.960 0.000 0.000 0.218 464 G HA3 -0.335 3.625 3.960 0.000 0.000 0.218 464 G C 1.488 176.180 174.900 -0.345 0.000 1.265 464 G CA 1.599 46.623 45.100 -0.127 0.000 0.796 464 G HN 1.268 nan 8.290 nan 0.000 0.620 465 S N 0.362 115.550 115.700 -0.853 0.000 2.469 465 S HA 0.001 4.471 4.470 0.000 0.000 0.238 465 S C 2.036 176.602 174.600 -0.056 0.000 0.998 465 S CA 0.937 58.610 58.200 -0.877 0.000 0.957 465 S CB -0.103 62.547 63.200 -0.917 0.000 0.764 465 S HN 0.231 nan 8.310 nan 0.000 0.514 466 I N 1.472 122.015 120.570 -0.045 0.000 3.111 466 I HA 0.109 4.279 4.170 0.000 0.000 0.272 466 I C 1.047 177.250 176.117 0.144 0.000 1.268 466 I CA 0.544 61.887 61.300 0.072 0.000 1.467 466 I CB -1.691 36.369 38.000 0.100 0.000 1.087 466 I HN 0.255 nan 8.210 nan 0.000 0.467 467 T N 2.377 116.995 114.554 0.108 0.000 2.837 467 T HA 0.243 4.593 4.350 0.000 0.000 0.285 467 T C -1.494 173.350 174.700 0.240 0.000 0.984 467 T CA -1.338 60.834 62.100 0.120 0.000 1.049 467 T CB 2.239 71.109 68.868 0.003 0.000 0.947 467 T HN -0.100 nan 8.240 nan 0.000 0.472 468 P HA -0.122 nan 4.420 nan 0.000 0.215 468 P C 1.702 179.196 177.300 0.323 0.000 1.153 468 P CA 0.873 64.149 63.100 0.293 0.000 0.853 468 P CB -0.169 31.644 31.700 0.189 0.000 0.788 469 V N -3.151 116.890 119.914 0.213 0.000 2.568 469 V HA -0.264 3.856 4.120 0.000 0.000 0.253 469 V C 2.089 178.251 176.094 0.114 0.000 1.072 469 V CA 1.571 63.962 62.300 0.152 0.000 1.084 469 V CB -2.058 29.782 31.823 0.029 0.000 0.676 469 V HN -0.036 nan 8.190 nan 0.000 0.469 470 F N 1.893 121.802 119.950 -0.069 0.000 2.126 470 F HA -0.158 4.369 4.527 0.000 0.000 0.299 470 F C 2.409 178.332 175.800 0.205 0.000 1.096 470 F CA 2.272 60.246 58.000 -0.044 0.000 1.255 470 F CB -0.338 38.532 39.000 -0.217 0.000 0.997 470 F HN 0.305 nan 8.300 nan 0.000 0.479 471 H N -0.747 118.680 119.070 0.596 0.000 2.536 471 H HA 0.105 4.661 4.556 0.000 0.000 0.276 471 H C 0.153 175.732 175.328 0.418 0.000 1.019 471 H CA 0.235 56.582 56.048 0.499 0.000 1.159 471 H CB -0.230 29.790 29.762 0.430 0.000 1.373 471 H HN 0.272 nan 8.280 nan 0.000 0.584 472 Q N 1.810 121.882 119.800 0.454 0.000 2.348 472 Q HA 0.173 4.513 4.340 0.000 0.000 0.265 472 Q C -0.686 175.532 176.000 0.363 0.000 0.998 472 Q CA -0.490 55.517 55.803 0.340 0.000 0.831 472 Q CB 0.907 29.809 28.738 0.273 0.000 1.251 472 Q HN 0.225 nan 8.270 nan 0.000 0.456 473 E N 3.530 123.882 120.200 0.253 0.000 2.373 473 E HA 0.261 4.611 4.350 0.000 0.000 0.267 473 E C -0.490 176.216 176.600 0.177 0.000 1.032 473 E CA 0.285 56.793 56.400 0.180 0.000 0.889 473 E CB 0.870 30.668 29.700 0.162 0.000 0.984 473 E HN 0.596 nan 8.360 nan 0.000 0.425 474 M N 2.021 121.733 119.600 0.186 0.000 2.658 474 M HA 0.402 4.882 4.480 0.000 0.000 0.295 474 M C -1.341 175.063 176.300 0.173 0.000 1.248 474 M CA -1.033 54.396 55.300 0.216 0.000 0.843 474 M CB 1.647 34.433 32.600 0.311 0.000 1.749 474 M HN 0.244 nan 8.290 nan 0.000 0.464 475 L N 1.939 123.280 121.223 0.197 0.000 2.333 475 L HA 0.491 4.831 4.340 0.000 0.000 0.280 475 L C -0.828 176.109 176.870 0.111 0.000 1.004 475 L CA -0.207 54.757 54.840 0.206 0.000 0.820 475 L CB 1.484 43.728 42.059 0.307 0.000 1.247 475 L HN 0.541 nan 8.230 nan 0.000 0.416 476 N N 3.395 122.139 118.700 0.072 0.000 2.424 476 N HA 0.555 5.295 4.740 0.000 0.000 0.271 476 N C -1.646 173.648 175.510 -0.360 0.000 0.985 476 N CA -0.188 52.783 53.050 -0.132 0.000 0.921 476 N CB 0.722 39.258 38.487 0.081 0.000 1.149 476 N HN 0.395 nan 8.380 nan 0.000 0.492 477 Y N -0.267 119.755 120.300 -0.463 0.000 2.609 477 Y HA 0.563 5.113 4.550 0.000 0.000 0.336 477 Y C -1.192 174.415 175.900 -0.488 0.000 1.129 477 Y CA -1.331 56.368 58.100 -0.667 0.000 1.040 477 Y CB 0.621 38.855 38.460 -0.378 0.000 1.310 477 Y HN -0.003 nan 8.280 nan 0.000 0.460 478 V N 4.294 123.976 119.914 -0.388 0.000 2.318 478 V HA 0.356 4.477 4.120 0.000 0.000 0.271 478 V C 0.167 176.056 176.094 -0.340 0.000 1.030 478 V CA -0.410 61.553 62.300 -0.562 0.000 0.844 478 V CB 0.239 31.635 31.823 -0.712 0.000 1.015 478 V HN 0.714 nan 8.190 nan 0.000 0.460 479 L N 2.840 123.933 121.223 -0.216 0.000 2.751 479 L HA 0.697 5.037 4.340 0.000 0.000 0.241 479 L C 0.429 177.260 176.870 -0.066 0.000 1.146 479 L CA -0.397 54.405 54.840 -0.064 0.000 0.879 479 L CB 1.327 43.403 42.059 0.028 0.000 1.687 479 L HN 0.590 nan 8.230 nan 0.000 0.527 480 S N -0.793 114.906 115.700 -0.001 0.000 2.548 480 S HA 0.547 5.017 4.470 0.000 0.000 0.276 480 S C -2.665 171.970 174.600 0.058 0.000 1.129 480 S CA -1.176 57.042 58.200 0.030 0.000 0.931 480 S CB 1.922 65.127 63.200 0.009 0.000 1.068 480 S HN 0.153 nan 8.310 nan 0.000 0.480 481 P HA 0.438 nan 4.420 nan 0.000 0.270 481 P C -1.318 175.936 177.300 -0.077 0.000 1.223 481 P CA -0.136 62.929 63.100 -0.057 0.000 0.785 481 P CB 0.271 31.872 31.700 -0.166 0.000 0.923 482 F N 0.523 120.268 119.950 -0.343 0.000 2.631 482 F HA 0.445 4.972 4.527 0.000 0.000 0.308 482 F C -1.487 173.992 175.800 -0.534 0.000 1.097 482 F CA -0.753 56.947 58.000 -0.500 0.000 0.952 482 F CB 1.283 39.951 39.000 -0.553 0.000 1.307 482 F HN 0.161 nan 8.300 nan 0.000 0.450 483 Y N 4.308 124.098 120.300 -0.851 0.000 2.385 483 Y HA 0.428 4.978 4.550 0.000 0.000 0.341 483 Y C -0.896 174.650 175.900 -0.591 0.000 0.965 483 Y CA -0.872 56.912 58.100 -0.526 0.000 1.180 483 Y CB 0.237 38.373 38.460 -0.541 0.000 1.139 483 Y HN 0.377 nan 8.280 nan 0.000 0.502 484 Y N 1.156 121.504 120.300 0.081 0.000 2.488 484 Y HA 0.417 4.967 4.550 0.000 0.000 0.325 484 Y C -0.360 175.547 175.900 0.012 0.000 1.204 484 Y CA -1.041 57.099 58.100 0.067 0.000 1.229 484 Y CB 0.871 39.435 38.460 0.173 0.000 1.274 484 Y HN 0.375 nan 8.280 nan 0.000 0.493 485 Y N 0.725 121.205 120.300 0.299 0.000 2.316 485 Y HA 0.342 4.892 4.550 0.000 0.000 0.324 485 Y C 0.066 176.032 175.900 0.111 0.000 1.267 485 Y CA -1.123 57.061 58.100 0.140 0.000 1.311 485 Y CB 0.692 39.203 38.460 0.085 0.000 1.267 485 Y HN 0.430 nan 8.280 nan 0.000 0.516 486 Q N 0.971 120.893 119.800 0.204 0.000 2.416 486 Q HA 0.535 4.875 4.340 0.000 0.000 0.279 486 Q C -1.011 174.956 176.000 -0.055 0.000 1.101 486 Q CA -1.114 54.722 55.803 0.055 0.000 0.830 486 Q CB 2.686 31.428 28.738 0.007 0.000 1.402 486 Q HN 0.534 nan 8.270 nan 0.000 0.445 487 I N 1.448 121.948 120.570 -0.115 0.000 2.575 487 I HA -0.006 4.164 4.170 0.000 0.000 0.285 487 I C 0.248 176.136 176.117 -0.382 0.000 1.085 487 I CA 0.065 61.243 61.300 -0.202 0.000 1.403 487 I CB 0.587 38.486 38.000 -0.169 0.000 1.409 487 I HN 0.479 nan 8.210 nan 0.000 0.557 488 E N 8.264 128.136 120.200 -0.547 0.000 2.606 488 E HA -0.069 4.281 4.350 0.000 0.000 0.248 488 E C -1.342 174.551 176.600 -1.179 0.000 1.005 488 E CA -0.891 54.870 56.400 -1.066 0.000 0.946 488 E CB 0.298 29.184 29.700 -1.357 0.000 0.928 488 E HN 0.397 nan 8.360 nan 0.000 0.494 489 P HA -0.231 nan 4.420 nan 0.000 0.218 489 P C 0.843 177.559 177.300 -0.973 0.000 1.152 489 P CA 1.736 64.190 63.100 -1.076 0.000 0.857 489 P CB -0.174 30.602 31.700 -1.539 0.000 0.787 490 W N 1.071 121.851 121.300 -0.867 0.000 2.425 490 W HA 0.087 4.747 4.660 0.000 0.000 0.277 490 W C 1.865 178.280 176.519 -0.172 0.000 1.231 490 W CA 0.570 57.656 57.345 -0.432 0.000 1.248 490 W CB -1.497 27.869 29.460 -0.157 0.000 1.117 490 W HN -0.110 nan 8.180 nan 0.000 0.568 491 K N 0.106 120.338 120.400 -0.281 0.000 2.217 491 K HA -0.049 4.271 4.320 0.000 0.000 0.202 491 K C 0.706 177.252 176.600 -0.091 0.000 1.051 491 K CA 1.455 57.661 56.287 -0.135 0.000 0.952 491 K CB -0.179 32.190 32.500 -0.218 0.000 0.736 491 K HN 0.065 nan 8.250 nan 0.000 0.453 492 T N 0.559 115.049 114.554 -0.108 0.000 3.305 492 T HA 0.180 4.530 4.350 0.000 0.000 0.348 492 T C -1.940 172.812 174.700 0.087 0.000 1.394 492 T CA -0.646 61.435 62.100 -0.031 0.000 1.549 492 T CB -0.110 68.719 68.868 -0.065 0.000 0.962 492 T HN 0.231 nan 8.240 nan 0.000 0.609 493 H N 2.255 121.343 119.070 0.029 0.000 3.086 493 H HA 0.530 5.086 4.556 0.000 0.000 0.353 493 H C -1.306 174.124 175.328 0.171 0.000 1.134 493 H CA -0.643 55.499 56.048 0.157 0.000 1.248 493 H CB 1.064 31.040 29.762 0.356 0.000 1.878 493 H HN 0.482 nan 8.280 nan 0.000 0.527 494 I N 4.500 124.842 120.570 -0.380 0.000 2.304 494 I HA 0.147 4.317 4.170 0.000 0.000 0.291 494 I C -0.125 175.937 176.117 -0.093 0.000 1.018 494 I CA -0.517 60.675 61.300 -0.180 0.000 1.260 494 I CB 0.335 38.253 38.000 -0.137 0.000 1.390 494 I HN 0.358 nan 8.210 nan 0.000 0.475 495 W N 4.779 126.018 121.300 -0.101 0.000 1.716 495 W HA 0.164 4.824 4.660 0.000 0.000 0.389 495 W C 0.982 177.487 176.519 -0.023 0.000 1.745 495 W CA -0.297 57.048 57.345 0.001 0.000 1.911 495 W CB 0.127 29.635 29.460 0.081 0.000 1.416 495 W HN 0.445 nan 8.180 nan 0.000 0.750 496 Q N 0.000 119.895 119.800 0.158 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.837 55.803 0.057 0.000 1.022 496 Q CB 0.000 28.726 28.738 -0.019 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481