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 1dww_1_A 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 0.000 176.142 176.000 0.237 0.000 1.003 77 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 77 Q CB 0.000 28.599 28.738 -0.232 0.000 1.108 78 Y N -1.494 118.896 120.300 0.150 0.000 2.604 78 Y HA 0.688 5.238 4.550 0.000 0.000 0.331 78 Y C -1.459 174.475 175.900 0.056 0.000 1.158 78 Y CA -1.324 56.862 58.100 0.143 0.000 1.056 78 Y CB 0.844 39.343 38.460 0.065 0.000 1.330 78 Y HN -0.169 nan 8.280 nan 0.000 0.457 79 V N 3.466 123.570 119.914 0.317 0.000 2.439 79 V HA 0.476 4.596 4.120 0.000 0.000 0.282 79 V C 0.162 176.407 176.094 0.251 0.000 1.039 79 V CA -0.737 61.638 62.300 0.125 0.000 0.913 79 V CB 1.275 32.991 31.823 -0.178 0.000 0.983 79 V HN 0.801 nan 8.190 nan 0.000 0.460 80 R N 3.754 124.391 120.500 0.230 0.000 2.298 80 R HA 0.544 4.884 4.340 0.000 0.000 0.310 80 R C -1.077 175.282 176.300 0.099 0.000 1.068 80 R CA -0.292 55.948 56.100 0.233 0.000 0.957 80 R CB 0.518 30.945 30.300 0.212 0.000 1.003 80 R HN 0.650 nan 8.270 nan 0.000 0.454 81 I N 3.621 124.211 120.570 0.033 0.000 2.509 81 I HA 0.333 4.503 4.170 0.000 0.000 0.293 81 I C -0.664 175.365 176.117 -0.146 0.000 1.020 81 I CA -0.361 60.911 61.300 -0.047 0.000 1.088 81 I CB 1.799 39.755 38.000 -0.074 0.000 1.267 81 I HN 0.525 nan 8.210 nan 0.000 0.430 82 K N 5.219 125.517 120.400 -0.171 0.000 2.318 82 K HA 0.428 4.748 4.320 0.000 0.000 0.249 82 K C -1.107 175.283 176.600 -0.350 0.000 0.942 82 K CA -0.780 55.290 56.287 -0.363 0.000 0.808 82 K CB 1.387 33.495 32.500 -0.655 0.000 1.189 82 K HN 0.536 nan 8.250 nan 0.000 0.428 83 N N 3.785 122.284 118.700 -0.333 0.000 2.469 83 N HA 0.111 4.851 4.740 0.000 0.000 0.253 83 N C -0.333 175.068 175.510 -0.181 0.000 0.970 83 N CA -0.373 52.601 53.050 -0.126 0.000 0.940 83 N CB 0.494 38.951 38.487 -0.050 0.000 1.128 83 N HN 0.662 nan 8.380 nan 0.000 0.503 84 W N 2.424 123.804 121.300 0.133 0.000 2.961 84 W HA 0.183 4.843 4.660 -0.000 0.000 0.240 84 W C 1.951 178.524 176.519 0.090 0.000 1.305 84 W CA -0.046 57.375 57.345 0.128 0.000 1.465 84 W CB 0.260 29.826 29.460 0.176 0.000 1.135 84 W HN 0.648 nan 8.180 nan 0.000 0.688 85 G N -0.329 108.594 108.800 0.206 0.000 2.437 85 G HA2 -0.160 3.800 3.960 0.000 0.000 0.212 85 G HA3 -0.160 3.800 3.960 0.000 0.000 0.212 85 G C 1.562 176.470 174.900 0.012 0.000 1.174 85 G CA 1.077 46.199 45.100 0.036 0.000 0.811 85 G HN 0.255 nan 8.290 nan 0.000 0.537 86 S N -1.044 114.657 115.700 0.002 0.000 2.503 86 S HA 0.374 4.844 4.470 0.000 0.000 0.215 86 S C 1.923 176.490 174.600 -0.056 0.000 1.003 86 S CA 1.097 59.281 58.200 -0.028 0.000 0.910 86 S CB 0.262 63.441 63.200 -0.035 0.000 0.790 86 S HN 1.557 nan 8.310 nan 0.000 0.514 87 G N 1.070 109.815 108.800 -0.092 0.000 2.176 87 G HA2 -0.297 3.663 3.960 0.000 0.000 0.253 87 G HA3 -0.297 3.663 3.960 0.000 0.000 0.253 87 G C -0.122 174.664 174.900 -0.191 0.000 0.979 87 G CA 0.313 45.322 45.100 -0.152 0.000 0.641 87 G HN 0.706 nan 8.290 nan 0.000 0.530 88 E N -0.014 120.085 120.200 -0.167 0.000 2.415 88 E HA 0.499 4.849 4.350 0.000 0.000 0.262 88 E C 0.077 176.534 176.600 -0.239 0.000 1.038 88 E CA -0.159 56.134 56.400 -0.179 0.000 0.921 88 E CB 0.288 29.898 29.700 -0.150 0.000 0.950 88 E HN 0.385 nan 8.360 nan 0.000 0.438 89 I N 4.323 124.744 120.570 -0.247 0.000 2.545 89 I HA 0.328 4.498 4.170 0.000 0.000 0.292 89 I C -0.719 175.176 176.117 -0.370 0.000 1.040 89 I CA -0.639 60.494 61.300 -0.279 0.000 1.068 89 I CB 1.422 39.291 38.000 -0.219 0.000 1.251 89 I HN 0.395 nan 8.210 nan 0.000 0.424 90 L N 4.943 125.928 121.223 -0.396 0.000 2.333 90 L HA 0.534 4.874 4.340 0.000 0.000 0.263 90 L C -1.003 175.682 176.870 -0.308 0.000 1.014 90 L CA -0.742 53.797 54.840 -0.502 0.000 0.820 90 L CB 2.186 43.757 42.059 -0.812 0.000 1.352 90 L HN 0.536 nan 8.230 nan 0.000 0.421 91 H N 0.386 119.316 119.070 -0.232 0.000 2.587 91 H HA 0.191 4.747 4.556 0.000 0.000 0.325 91 H C -1.171 174.178 175.328 0.035 0.000 1.012 91 H CA -0.780 55.093 56.048 -0.292 0.000 1.213 91 H CB 2.012 31.268 29.762 -0.842 0.000 1.431 91 H HN 0.415 nan 8.280 nan 0.000 0.492 92 D N 2.800 123.377 120.400 0.296 0.000 2.339 92 D HA 0.027 4.667 4.640 0.000 0.000 0.241 92 D C 0.635 177.091 176.300 0.260 0.000 1.183 92 D CA -0.016 54.181 54.000 0.327 0.000 0.859 92 D CB 1.291 42.259 40.800 0.281 0.000 1.067 92 D HN 0.683 nan 8.370 nan 0.000 0.484 93 T N 1.738 116.368 114.554 0.127 0.000 3.023 93 T HA 0.045 4.395 4.350 0.000 0.000 0.249 93 T C 2.155 176.763 174.700 -0.154 0.000 1.050 93 T CA -0.282 61.837 62.100 0.031 0.000 1.088 93 T CB 0.180 69.094 68.868 0.076 0.000 0.946 93 T HN 0.309 nan 8.240 nan 0.000 0.480 94 L N 2.001 123.152 121.223 -0.120 0.000 2.081 94 L HA -0.204 4.136 4.340 0.000 0.000 0.212 94 L C 2.774 179.407 176.870 -0.395 0.000 1.080 94 L CA 2.274 57.016 54.840 -0.164 0.000 0.754 94 L CB -0.473 41.554 42.059 -0.054 0.000 0.893 94 L HN 0.615 nan 8.230 nan 0.000 0.433 95 H N -3.264 115.304 119.070 -0.836 0.000 2.489 95 H HA -0.220 4.336 4.556 0.000 0.000 0.295 95 H C 1.855 176.814 175.328 -0.615 0.000 1.082 95 H CA 1.678 56.947 56.048 -1.299 0.000 1.295 95 H CB -0.672 28.397 29.762 -1.155 0.000 1.380 95 H HN 0.474 nan 8.280 nan 0.000 0.548 96 H N 0.712 119.311 119.070 -0.786 0.000 2.491 96 H HA 0.020 4.576 4.556 0.000 0.000 0.290 96 H C 1.310 176.475 175.328 -0.272 0.000 1.050 96 H CA 0.943 56.683 56.048 -0.513 0.000 1.309 96 H CB 0.251 29.752 29.762 -0.435 0.000 1.392 96 H HN 0.428 nan 8.280 nan 0.000 0.554 97 K N 0.687 121.014 120.400 -0.122 0.000 2.444 97 K HA 0.212 4.532 4.320 0.000 0.000 0.193 97 K C 0.497 177.071 176.600 -0.043 0.000 1.024 97 K CA -0.084 56.169 56.287 -0.057 0.000 1.077 97 K CB 0.753 33.231 32.500 -0.036 0.000 0.833 97 K HN 0.129 nan 8.250 nan 0.000 0.517 98 A N 1.516 124.289 122.820 -0.079 0.000 2.540 98 A HA 0.009 4.329 4.320 0.000 0.000 0.239 98 A C 1.069 178.643 177.584 -0.017 0.000 1.061 98 A CA 0.071 52.088 52.037 -0.034 0.000 0.758 98 A CB 0.116 19.080 19.000 -0.060 0.000 0.991 98 A HN 0.212 nan 8.150 nan 0.000 0.502 99 T N 2.112 116.656 114.554 -0.017 0.000 2.393 99 T HA -0.027 4.323 4.350 0.000 0.000 0.231 99 T C 1.194 175.909 174.700 0.025 0.000 1.377 99 T CA 1.779 63.878 62.100 -0.002 0.000 1.375 99 T CB -0.277 68.579 68.868 -0.020 0.000 0.887 99 T HN 0.742 nan 8.240 nan 0.000 0.386 100 S N -0.110 115.613 115.700 0.038 0.000 2.993 100 S HA 0.358 4.828 4.470 0.000 0.000 0.281 100 S C -0.847 173.802 174.600 0.082 0.000 1.033 100 S CA -0.828 57.405 58.200 0.055 0.000 0.950 100 S CB 0.455 63.688 63.200 0.055 0.000 1.349 100 S HN 0.424 nan 8.310 nan 0.000 0.652 101 D N 0.659 121.111 120.400 0.087 0.000 2.449 101 D HA 0.249 4.889 4.640 0.000 0.000 0.236 101 D C -0.558 175.862 176.300 0.200 0.000 1.149 101 D CA 0.513 54.584 54.000 0.119 0.000 0.878 101 D CB 0.241 41.089 40.800 0.078 0.000 1.198 101 D HN 0.153 nan 8.370 nan 0.000 0.446 102 F N -0.072 119.889 119.950 0.019 0.000 2.561 102 F HA 0.159 4.686 4.527 0.000 0.000 0.384 102 F C 1.873 177.688 175.800 0.025 0.000 1.131 102 F CA -0.684 57.327 58.000 0.018 0.000 1.133 102 F CB 0.164 39.183 39.000 0.032 0.000 1.506 102 F HN 0.180 nan 8.300 nan 0.000 0.499 103 T N 0.506 114.596 114.554 -0.773 0.000 2.777 103 T HA -0.072 4.278 4.350 0.000 0.000 0.266 103 T C 0.848 175.448 174.700 -0.167 0.000 1.040 103 T CA 1.127 62.928 62.100 -0.498 0.000 1.141 103 T CB -0.642 67.820 68.868 -0.677 0.000 0.868 103 T HN 0.416 nan 8.240 nan 0.000 0.444 104 C N 2.008 121.279 119.300 -0.048 0.000 2.580 104 C HA 0.480 4.940 4.460 0.000 0.000 0.371 104 C C 1.022 176.041 174.990 0.047 0.000 1.308 104 C CA -1.158 57.879 59.018 0.032 0.000 2.428 104 C CB 0.420 28.216 27.740 0.093 0.000 2.529 104 C HN 0.452 nan 8.230 nan 0.000 0.657 105 K N 0.454 120.876 120.400 0.037 0.000 2.450 105 K HA 0.335 4.655 4.320 0.000 0.000 0.248 105 K C 1.249 177.872 176.600 0.039 0.000 1.056 105 K CA -0.188 56.120 56.287 0.034 0.000 0.974 105 K CB 0.592 33.105 32.500 0.021 0.000 1.334 105 K HN 0.741 nan 8.250 nan 0.000 0.516 106 S N 0.100 115.818 115.700 0.031 0.000 2.428 106 S HA -0.056 4.414 4.470 0.000 0.000 0.230 106 S C 0.976 175.590 174.600 0.023 0.000 1.014 106 S CA 0.854 59.071 58.200 0.029 0.000 0.957 106 S CB -0.100 63.114 63.200 0.024 0.000 0.784 106 S HN 0.453 nan 8.310 nan 0.000 0.499 107 K N 0.518 120.930 120.400 0.020 0.000 2.469 107 K HA 0.413 4.733 4.320 0.000 0.000 0.204 107 K C -0.661 175.947 176.600 0.014 0.000 1.047 107 K CA -0.102 56.194 56.287 0.015 0.000 1.072 107 K CB 1.071 33.578 32.500 0.012 0.000 0.863 107 K HN 0.152 nan 8.250 nan 0.000 0.530 108 S N 0.330 116.041 115.700 0.018 0.000 2.541 108 S HA 0.283 4.753 4.470 0.000 0.000 0.271 108 S C -1.538 173.076 174.600 0.023 0.000 1.133 108 S CA -0.791 57.419 58.200 0.017 0.000 0.876 108 S CB 2.260 65.467 63.200 0.013 0.000 1.105 108 S HN 0.286 nan 8.310 nan 0.000 0.470 109 C N 3.944 123.257 119.300 0.021 0.000 2.345 109 C HA 0.655 5.115 4.460 0.000 0.000 0.323 109 C C 0.192 175.197 174.990 0.024 0.000 1.276 109 C CA -0.590 58.446 59.018 0.031 0.000 1.543 109 C CB -1.272 26.485 27.740 0.028 0.000 2.211 109 C HN 0.893 nan 8.230 nan 0.000 0.493 110 L N 5.605 126.840 121.223 0.020 0.000 3.110 110 L HA 0.304 4.644 4.340 0.000 0.000 0.266 110 L C 1.981 178.860 176.870 0.015 0.000 1.257 110 L CA 0.188 55.033 54.840 0.009 0.000 1.038 110 L CB -0.318 41.732 42.059 -0.015 0.000 1.395 110 L HN 0.959 nan 8.230 nan 0.000 0.566 111 G N -0.106 108.724 108.800 0.049 0.000 2.527 111 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 111 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 111 G C 1.539 176.512 174.900 0.121 0.000 1.117 111 G CA 1.115 46.269 45.100 0.091 0.000 0.759 111 G HN 0.365 nan 8.290 nan 0.000 0.556 112 S N -0.348 115.412 115.700 0.101 0.000 2.527 112 S HA 0.172 4.642 4.470 0.000 0.000 0.222 112 S C 1.061 175.737 174.600 0.126 0.000 0.985 112 S CA -0.516 57.759 58.200 0.124 0.000 0.921 112 S CB -0.184 63.069 63.200 0.088 0.000 0.772 112 S HN 0.092 nan 8.310 nan 0.000 0.529 113 I N 3.027 123.650 120.570 0.089 0.000 2.598 113 I HA 0.040 4.210 4.170 0.000 0.000 0.284 113 I C 1.560 177.752 176.117 0.125 0.000 1.140 113 I CA 0.320 61.667 61.300 0.078 0.000 1.420 113 I CB 0.150 38.167 38.000 0.029 0.000 1.387 113 I HN 0.334 nan 8.210 nan 0.000 0.553 114 M N 4.913 124.600 119.600 0.145 0.000 2.059 114 M HA -0.123 4.357 4.480 0.000 0.000 0.259 114 M C 0.398 176.789 176.300 0.152 0.000 1.072 114 M CA 1.659 57.081 55.300 0.203 0.000 1.117 114 M CB -0.270 32.427 32.600 0.160 0.000 1.320 114 M HN 0.524 nan 8.290 nan 0.000 0.408 115 N N 1.421 120.161 118.700 0.066 0.000 3.012 115 N HA 0.322 5.062 4.740 0.000 0.000 0.270 115 N C -2.456 173.098 175.510 0.074 0.000 1.469 115 N CA -0.749 52.330 53.050 0.048 0.000 0.928 115 N CB 0.593 39.022 38.487 -0.097 0.000 1.219 115 N HN 0.276 nan 8.380 nan 0.000 0.492 116 P HA 0.267 nan 4.420 nan 0.000 0.281 116 P C 0.547 177.873 177.300 0.043 0.000 1.249 116 P CA -0.416 62.694 63.100 0.016 0.000 0.810 116 P CB 2.077 33.734 31.700 -0.071 0.000 1.008 117 K N 0.517 120.926 120.400 0.015 0.000 2.152 117 K HA -0.120 4.200 4.320 0.000 0.000 0.206 117 K C 2.012 178.638 176.600 0.043 0.000 1.048 117 K CA 2.049 58.353 56.287 0.028 0.000 0.933 117 K CB -0.421 32.081 32.500 0.004 0.000 0.721 117 K HN 0.553 nan 8.250 nan 0.000 0.447 118 S N 0.536 116.234 115.700 -0.003 0.000 2.469 118 S HA -0.089 4.381 4.470 0.000 0.000 0.238 118 S C 1.471 176.139 174.600 0.114 0.000 0.998 118 S CA 0.796 59.005 58.200 0.015 0.000 0.957 118 S CB 0.001 63.121 63.200 -0.133 0.000 0.764 118 S HN 0.087 nan 8.310 nan 0.000 0.514 119 L N 1.389 122.683 121.223 0.119 0.000 2.769 119 L HA 0.443 4.783 4.340 0.000 0.000 0.240 119 L C -0.081 176.994 176.870 0.342 0.000 1.163 119 L CA 0.462 55.408 54.840 0.176 0.000 0.962 119 L CB 0.108 42.185 42.059 0.029 0.000 1.258 119 L HN 0.204 nan 8.230 nan 0.000 0.513 120 T N -0.431 114.324 114.554 0.336 0.000 2.841 120 T HA 0.524 4.874 4.350 0.000 0.000 0.283 120 T C -0.504 174.240 174.700 0.074 0.000 1.000 120 T CA -0.517 61.746 62.100 0.271 0.000 0.977 120 T CB 2.371 71.345 68.868 0.177 0.000 0.979 120 T HN -0.156 nan 8.240 nan 0.000 0.446 121 R N 1.797 122.301 120.500 0.007 0.000 2.358 121 R HA 0.600 4.940 4.340 0.000 0.000 0.309 121 R C 0.487 176.746 176.300 -0.069 0.000 1.026 121 R CA -0.439 55.551 56.100 -0.183 0.000 0.909 121 R CB 0.230 30.309 30.300 -0.368 0.000 1.153 121 R HN 0.838 nan 8.270 nan 0.000 0.515 122 G N 3.399 112.157 108.800 -0.070 0.000 2.570 122 G HA2 0.301 4.261 3.960 0.000 0.000 0.276 122 G HA3 0.301 4.261 3.960 0.000 0.000 0.276 122 G C -2.000 172.869 174.900 -0.051 0.000 1.346 122 G CA -0.867 44.200 45.100 -0.055 0.000 1.034 122 G HN 0.496 nan 8.290 nan 0.000 0.512 123 P HA 0.454 nan 4.420 nan 0.000 0.277 123 P C -0.383 176.901 177.300 -0.028 0.000 1.276 123 P CA -0.438 62.640 63.100 -0.037 0.000 0.788 123 P CB 0.698 32.372 31.700 -0.043 0.000 1.114 124 R N -0.514 119.977 120.500 -0.015 0.000 2.680 124 R HA 0.254 4.594 4.340 0.000 0.000 0.269 124 R C -0.451 175.851 176.300 0.003 0.000 1.026 124 R CA -0.509 55.586 56.100 -0.008 0.000 0.889 124 R CB 1.588 31.883 30.300 -0.008 0.000 1.241 124 R HN 0.321 nan 8.270 nan 0.000 0.463 125 D N 0.491 120.893 120.400 0.004 0.000 2.454 125 D HA 0.167 4.807 4.640 0.000 0.000 0.219 125 D C -0.507 175.805 176.300 0.020 0.000 1.081 125 D CA 0.915 54.922 54.000 0.012 0.000 0.867 125 D CB 0.798 41.601 40.800 0.005 0.000 1.054 125 D HN 0.215 nan 8.370 nan 0.000 0.500 126 K N 0.245 120.653 120.400 0.014 0.000 2.400 126 K HA 0.515 4.835 4.320 0.000 0.000 0.246 126 K C -2.653 173.953 176.600 0.010 0.000 0.995 126 K CA -1.805 54.491 56.287 0.014 0.000 0.840 126 K CB 2.165 34.670 32.500 0.008 0.000 1.293 126 K HN -0.246 nan 8.250 nan 0.000 0.445 127 P HA 0.028 nan 4.420 nan 0.000 0.272 127 P C -0.742 176.558 177.300 0.001 0.000 1.254 127 P CA -0.270 62.831 63.100 0.002 0.000 0.795 127 P CB 0.330 32.031 31.700 0.001 0.000 1.022 128 T N 2.414 116.967 114.554 -0.000 0.000 2.834 128 T HA 0.206 4.556 4.350 0.000 0.000 0.298 128 T C -2.130 172.575 174.700 0.007 0.000 0.966 128 T CA -0.744 61.359 62.100 0.005 0.000 1.141 128 T CB -0.510 68.366 68.868 0.014 0.000 0.905 128 T HN 0.279 nan 8.240 nan 0.000 0.535 129 P HA 0.054 nan 4.420 nan 0.000 0.262 129 P C 1.121 178.417 177.300 -0.007 0.000 1.182 129 P CA -0.130 62.967 63.100 -0.006 0.000 0.761 129 P CB 0.419 32.111 31.700 -0.014 0.000 0.795 130 L N 3.168 124.388 121.223 -0.004 0.000 2.042 130 L HA -0.196 4.144 4.340 0.000 0.000 0.210 130 L C 2.282 179.139 176.870 -0.022 0.000 1.076 130 L CA 1.909 56.747 54.840 -0.003 0.000 0.749 130 L CB -0.927 41.131 42.059 -0.001 0.000 0.893 130 L HN 0.566 nan 8.230 nan 0.000 0.432 131 E N 0.584 120.765 120.200 -0.032 0.000 2.204 131 E HA -0.241 4.109 4.350 0.000 0.000 0.195 131 E C 1.470 178.014 176.600 -0.093 0.000 0.990 131 E CA 1.285 57.655 56.400 -0.050 0.000 0.821 131 E CB -0.219 29.456 29.700 -0.042 0.000 0.750 131 E HN 0.622 nan 8.360 nan 0.000 0.477 132 E N 0.808 120.947 120.200 -0.102 0.000 2.102 132 E HA 0.068 4.418 4.350 0.000 0.000 0.190 132 E C 2.384 178.847 176.600 -0.229 0.000 0.971 132 E CA 0.192 56.472 56.400 -0.200 0.000 0.821 132 E CB -0.049 29.582 29.700 -0.114 0.000 0.777 132 E HN 0.156 nan 8.360 nan 0.000 0.460 133 L N 1.149 122.339 121.223 -0.054 0.000 1.989 133 L HA -0.208 4.132 4.340 0.000 0.000 0.211 133 L C 2.527 179.428 176.870 0.053 0.000 1.071 133 L CA 0.901 55.772 54.840 0.052 0.000 0.749 133 L CB -0.183 41.928 42.059 0.086 0.000 0.890 133 L HN 0.188 nan 8.230 nan 0.000 0.431 134 L N 0.491 121.713 121.223 -0.001 0.000 1.971 134 L HA -0.168 4.172 4.340 0.000 0.000 0.215 134 L C -0.526 176.346 176.870 0.003 0.000 1.072 134 L CA 2.303 57.135 54.840 -0.013 0.000 0.758 134 L CB -1.769 40.274 42.059 -0.027 0.000 0.889 134 L HN 0.116 nan 8.230 nan 0.000 0.433 135 P HA -0.151 nan 4.420 nan 0.000 0.215 135 P C 1.274 178.658 177.300 0.141 0.000 1.153 135 P CA 1.586 64.692 63.100 0.011 0.000 0.853 135 P CB -0.201 31.459 31.700 -0.066 0.000 0.788 136 H N -0.530 118.587 119.070 0.078 0.000 2.353 136 H HA -0.021 4.535 4.556 0.000 0.000 0.300 136 H C 1.986 177.418 175.328 0.173 0.000 1.090 136 H CA 1.408 57.526 56.048 0.118 0.000 1.327 136 H CB -1.175 28.652 29.762 0.109 0.000 1.383 136 H HN 0.041 nan 8.280 nan 0.000 0.508 137 A N 1.237 124.222 122.820 0.275 0.000 1.877 137 A HA -0.124 4.196 4.320 0.000 0.000 0.216 137 A C 2.405 180.091 177.584 0.171 0.000 1.186 137 A CA 1.467 53.622 52.037 0.195 0.000 0.620 137 A CB -0.501 18.423 19.000 -0.127 0.000 0.822 137 A HN 0.222 nan 8.150 nan 0.000 0.443 138 I N 0.232 120.865 120.570 0.105 0.000 2.226 138 I HA -0.221 3.949 4.170 0.000 0.000 0.245 138 I C 2.288 178.494 176.117 0.147 0.000 1.100 138 I CA 1.578 62.938 61.300 0.099 0.000 1.374 138 I CB -1.761 36.275 38.000 0.060 0.000 1.057 138 I HN 0.469 nan 8.210 nan 0.000 0.413 139 E N 0.254 120.561 120.200 0.178 0.000 2.085 139 E HA -0.260 4.090 4.350 0.000 0.000 0.194 139 E C 2.141 178.864 176.600 0.205 0.000 0.994 139 E CA 1.312 57.818 56.400 0.176 0.000 0.801 139 E CB -0.298 29.517 29.700 0.192 0.000 0.743 139 E HN 0.403 nan 8.360 nan 0.000 0.453 140 F N 1.310 121.349 119.950 0.149 0.000 2.146 140 F HA -0.124 4.403 4.527 0.000 0.000 0.298 140 F C 1.925 177.839 175.800 0.189 0.000 1.096 140 F CA 1.187 59.296 58.000 0.181 0.000 1.275 140 F CB -0.127 38.998 39.000 0.209 0.000 1.008 140 F HN -0.096 nan 8.300 nan 0.000 0.480 141 I N 0.512 121.094 120.570 0.019 0.000 2.286 141 I HA -0.342 3.828 4.170 0.000 0.000 0.248 141 I C 1.917 178.012 176.117 -0.037 0.000 1.115 141 I CA 1.225 62.520 61.300 -0.010 0.000 1.392 141 I CB -0.646 37.458 38.000 0.175 0.000 1.065 141 I HN 0.193 nan 8.210 nan 0.000 0.418 142 N N 0.490 119.199 118.700 0.016 0.000 2.244 142 N HA -0.213 4.527 4.740 0.000 0.000 0.183 142 N C 1.787 177.205 175.510 -0.155 0.000 1.016 142 N CA 1.015 54.061 53.050 -0.007 0.000 0.866 142 N CB -0.286 38.270 38.487 0.114 0.000 0.980 142 N HN 0.497 nan 8.380 nan 0.000 0.430 143 Q N -0.308 119.411 119.800 -0.135 0.000 2.046 143 Q HA -0.177 4.163 4.340 0.000 0.000 0.200 143 Q C 1.976 177.756 176.000 -0.368 0.000 0.975 143 Q CA 1.093 56.820 55.803 -0.127 0.000 0.836 143 Q CB -0.193 28.579 28.738 0.056 0.000 0.896 143 Q HN 0.406 nan 8.270 nan 0.000 0.428 144 Y N -0.094 119.747 120.300 -0.765 0.000 2.128 144 Y HA -0.287 4.263 4.550 0.000 0.000 0.284 144 Y C 1.540 176.668 175.900 -1.287 0.000 1.154 144 Y CA 1.958 59.287 58.100 -1.285 0.000 1.149 144 Y CB -0.418 37.318 38.460 -1.206 0.000 0.976 144 Y HN 0.199 nan 8.280 nan 0.000 0.505 145 Y N -0.448 119.257 120.300 -0.992 0.000 2.373 145 Y HA 0.066 4.616 4.550 0.000 0.000 0.293 145 Y C 2.502 177.693 175.900 -1.181 0.000 1.129 145 Y CA 1.172 58.516 58.100 -1.260 0.000 1.226 145 Y CB -0.617 37.162 38.460 -1.136 0.000 1.000 145 Y HN 0.193 nan 8.280 nan 0.000 0.549 146 G N -1.953 106.445 108.800 -0.671 0.000 3.124 146 G HA2 -0.065 3.895 3.960 0.000 0.000 0.212 146 G HA3 -0.065 3.895 3.960 0.000 0.000 0.212 146 G C 1.612 176.223 174.900 -0.481 0.000 1.181 146 G CA 0.767 45.611 45.100 -0.427 0.000 0.803 146 G HN 0.338 nan 8.290 nan 0.000 0.529 147 S N 0.108 115.307 115.700 -0.835 0.000 2.427 147 S HA 0.234 4.704 4.470 0.000 0.000 0.224 147 S C 0.788 175.134 174.600 -0.424 0.000 1.047 147 S CA -0.317 57.516 58.200 -0.611 0.000 0.953 147 S CB -0.153 62.569 63.200 -0.796 0.000 0.824 147 S HN 0.152 nan 8.310 nan 0.000 0.502 148 F N 2.746 122.515 119.950 -0.302 0.000 2.450 148 F HA 0.454 4.981 4.527 0.000 0.000 0.339 148 F C 1.455 177.190 175.800 -0.108 0.000 1.146 148 F CA -1.050 56.833 58.000 -0.195 0.000 1.267 148 F CB 0.242 39.111 39.000 -0.219 0.000 1.178 148 F HN 0.022 nan 8.300 nan 0.000 0.585 149 K N 0.955 121.420 120.400 0.109 0.000 2.015 149 K HA -0.193 4.127 4.320 0.000 0.000 0.216 149 K C 0.136 176.766 176.600 0.051 0.000 1.052 149 K CA 2.122 58.441 56.287 0.052 0.000 0.937 149 K CB -0.111 32.415 32.500 0.044 0.000 0.719 149 K HN 0.845 nan 8.250 nan 0.000 0.446 150 E N 1.088 121.337 120.200 0.082 0.000 2.400 150 E HA 0.320 4.670 4.350 0.000 0.000 0.232 150 E C -0.993 175.684 176.600 0.129 0.000 0.988 150 E CA -0.455 55.989 56.400 0.074 0.000 0.823 150 E CB 1.116 30.846 29.700 0.050 0.000 1.246 150 E HN 0.317 nan 8.360 nan 0.000 0.441 151 A N 3.512 126.404 122.820 0.120 0.000 2.608 151 A HA -0.164 4.156 4.320 0.000 0.000 0.246 151 A C 0.279 177.990 177.584 0.211 0.000 0.998 151 A CA 0.471 52.609 52.037 0.168 0.000 0.796 151 A CB -0.129 18.910 19.000 0.065 0.000 0.895 151 A HN 0.501 nan 8.150 nan 0.000 0.508 152 K N 3.912 124.521 120.400 0.349 0.000 2.187 152 K HA 0.244 4.564 4.320 0.000 0.000 0.242 152 K C 0.745 177.449 176.600 0.174 0.000 1.179 152 K CA -0.139 56.297 56.287 0.249 0.000 1.097 152 K CB -0.012 32.666 32.500 0.298 0.000 1.634 152 K HN 0.721 nan 8.250 nan 0.000 0.335 153 I N 1.693 122.324 120.570 0.102 0.000 2.145 153 I HA -0.421 3.749 4.170 0.000 0.000 0.244 153 I C 2.500 178.594 176.117 -0.039 0.000 1.075 153 I CA 1.619 62.936 61.300 0.029 0.000 1.332 153 I CB -0.412 37.586 38.000 -0.003 0.000 1.033 153 I HN 0.583 nan 8.210 nan 0.000 0.410 154 E N 1.619 121.808 120.200 -0.019 0.000 2.118 154 E HA -0.264 4.086 4.350 0.000 0.000 0.195 154 E C 1.724 178.294 176.600 -0.050 0.000 0.992 154 E CA 1.566 57.945 56.400 -0.035 0.000 0.804 154 E CB -0.489 29.204 29.700 -0.011 0.000 0.741 154 E HN 0.650 nan 8.360 nan 0.000 0.458 155 E N 0.232 120.415 120.200 -0.029 0.000 2.112 155 E HA -0.138 4.212 4.350 0.000 0.000 0.190 155 E C 2.131 178.531 176.600 -0.332 0.000 0.979 155 E CA 0.711 57.088 56.400 -0.037 0.000 0.814 155 E CB -0.281 29.507 29.700 0.146 0.000 0.762 155 E HN 0.512 nan 8.360 nan 0.000 0.460 156 H N 0.447 119.064 119.070 -0.756 0.000 2.290 156 H HA -0.149 4.407 4.556 0.000 0.000 0.298 156 H C 1.948 176.948 175.328 -0.547 0.000 1.087 156 H CA 0.852 56.155 56.048 -1.241 0.000 1.291 156 H CB 0.241 29.590 29.762 -0.689 0.000 1.369 156 H HN 0.038 nan 8.280 nan 0.000 0.492 157 L N 0.990 122.054 121.223 -0.264 0.000 2.046 157 L HA -0.115 4.225 4.340 0.000 0.000 0.208 157 L C 2.917 179.715 176.870 -0.121 0.000 1.077 157 L CA 1.768 56.477 54.840 -0.220 0.000 0.747 157 L CB -1.349 40.601 42.059 -0.181 0.000 0.896 157 L HN 0.441 nan 8.230 nan 0.000 0.432 158 A N -0.829 121.933 122.820 -0.096 0.000 1.933 158 A HA -0.237 4.083 4.320 0.000 0.000 0.218 158 A C 2.480 180.058 177.584 -0.009 0.000 1.175 158 A CA 1.738 53.751 52.037 -0.041 0.000 0.628 158 A CB -0.439 18.552 19.000 -0.016 0.000 0.814 158 A HN 0.320 nan 8.150 nan 0.000 0.444 159 R N 0.009 120.506 120.500 -0.005 0.000 2.073 159 R HA 0.066 4.406 4.340 0.000 0.000 0.229 159 R C 1.859 178.194 176.300 0.058 0.000 1.120 159 R CA 1.370 57.520 56.100 0.083 0.000 0.967 159 R CB -0.852 29.589 30.300 0.235 0.000 0.862 159 R HN 0.500 nan 8.270 nan 0.000 0.436 160 L N 0.518 121.761 121.223 0.033 0.000 2.042 160 L HA -0.188 4.152 4.340 0.000 0.000 0.210 160 L C 2.640 179.501 176.870 -0.015 0.000 1.076 160 L CA 1.905 56.755 54.840 0.017 0.000 0.749 160 L CB -0.599 41.456 42.059 -0.007 0.000 0.893 160 L HN 0.391 nan 8.230 nan 0.000 0.432 161 E N 0.405 120.593 120.200 -0.020 0.000 2.047 161 E HA -0.232 4.118 4.350 0.000 0.000 0.191 161 E C 2.198 178.792 176.600 -0.010 0.000 0.987 161 E CA 1.359 57.747 56.400 -0.020 0.000 0.799 161 E CB 0.037 29.724 29.700 -0.022 0.000 0.752 161 E HN 0.440 nan 8.360 nan 0.000 0.449 162 A N 0.699 123.522 122.820 0.006 0.000 1.972 162 A HA -0.121 4.199 4.320 0.000 0.000 0.219 162 A C 2.442 180.034 177.584 0.013 0.000 1.169 162 A CA 1.396 53.446 52.037 0.021 0.000 0.635 162 A CB -0.536 18.490 19.000 0.044 0.000 0.810 162 A HN 0.213 nan 8.150 nan 0.000 0.446 163 V N -0.397 119.507 119.914 -0.017 0.000 2.379 163 V HA -0.179 3.941 4.120 0.000 0.000 0.245 163 V C 2.728 178.748 176.094 -0.123 0.000 1.044 163 V CA 2.340 64.577 62.300 -0.105 0.000 1.036 163 V CB -1.061 30.622 31.823 -0.233 0.000 0.664 163 V HN 0.619 nan 8.190 nan 0.000 0.453 164 T N -0.321 114.183 114.554 -0.083 0.000 2.708 164 T HA -0.255 4.095 4.350 0.000 0.000 0.266 164 T C 1.941 176.625 174.700 -0.028 0.000 1.037 164 T CA 1.818 63.882 62.100 -0.060 0.000 1.146 164 T CB -0.209 68.633 68.868 -0.042 0.000 0.865 164 T HN 0.418 nan 8.240 nan 0.000 0.435 165 K N 0.947 121.339 120.400 -0.014 0.000 2.103 165 K HA -0.156 4.164 4.320 0.000 0.000 0.207 165 K C 2.364 178.974 176.600 0.016 0.000 1.048 165 K CA 1.512 57.800 56.287 0.002 0.000 0.930 165 K CB -0.061 32.443 32.500 0.006 0.000 0.716 165 K HN 0.415 nan 8.250 nan 0.000 0.444 166 E N 0.404 120.620 120.200 0.026 0.000 2.072 166 E HA -0.146 4.204 4.350 0.000 0.000 0.190 166 E C 1.975 178.615 176.600 0.067 0.000 0.982 166 E CA 0.961 57.397 56.400 0.060 0.000 0.803 166 E CB 0.009 29.771 29.700 0.104 0.000 0.755 166 E HN 0.341 nan 8.360 nan 0.000 0.453 167 I N 1.650 122.249 120.570 0.047 0.000 2.179 167 I HA -0.272 3.898 4.170 0.000 0.000 0.242 167 I C 2.366 178.504 176.117 0.035 0.000 1.088 167 I CA 1.605 62.938 61.300 0.056 0.000 1.357 167 I CB -0.418 37.591 38.000 0.016 0.000 1.051 167 I HN 0.236 nan 8.210 nan 0.000 0.409 168 E N -0.059 120.151 120.200 0.017 0.000 2.418 168 E HA -0.101 4.249 4.350 0.000 0.000 0.197 168 E C 1.535 178.144 176.600 0.016 0.000 1.026 168 E CA 1.142 57.550 56.400 0.013 0.000 0.862 168 E CB -0.208 29.494 29.700 0.004 0.000 0.799 168 E HN 0.371 nan 8.360 nan 0.000 0.518 169 T N 0.289 114.857 114.554 0.023 0.000 3.039 169 T HA -0.035 4.315 4.350 0.000 0.000 0.250 169 T C 1.872 176.587 174.700 0.025 0.000 1.052 169 T CA 1.326 63.440 62.100 0.022 0.000 1.125 169 T CB 0.363 69.245 68.868 0.024 0.000 0.908 169 T HN 0.430 nan 8.240 nan 0.000 0.473 170 T N -1.844 112.731 114.554 0.035 0.000 2.985 170 T HA 0.465 4.815 4.350 0.000 0.000 0.254 170 T C 1.797 176.516 174.700 0.031 0.000 1.021 170 T CA 0.834 62.953 62.100 0.033 0.000 0.957 170 T CB 0.372 69.266 68.868 0.042 0.000 1.047 170 T HN 0.429 nan 8.240 nan 0.000 0.511 171 G N 0.207 109.030 108.800 0.038 0.000 2.176 171 G HA2 -0.172 3.788 3.960 0.000 0.000 0.253 171 G HA3 -0.172 3.788 3.960 0.000 0.000 0.253 171 G C 0.209 175.141 174.900 0.052 0.000 0.979 171 G CA 0.595 45.716 45.100 0.034 0.000 0.641 171 G HN 1.061 nan 8.290 nan 0.000 0.530 172 T N -1.566 113.037 114.554 0.081 0.000 2.649 172 T HA 0.663 5.013 4.350 0.000 0.000 0.305 172 T C -1.674 173.161 174.700 0.225 0.000 1.409 172 T CA 0.553 62.727 62.100 0.124 0.000 1.021 172 T CB 1.139 70.020 68.868 0.022 0.000 1.726 172 T HN 1.711 nan 8.240 nan 0.000 0.475 173 Y N -0.359 119.944 120.300 0.004 0.000 2.656 173 Y HA 0.806 5.356 4.550 0.000 0.000 0.334 173 Y C -1.569 174.346 175.900 0.025 0.000 1.179 173 Y CA -1.144 56.970 58.100 0.023 0.000 1.050 173 Y CB 0.953 39.439 38.460 0.044 0.000 1.308 173 Y HN 0.447 nan 8.280 nan 0.000 0.456 174 Q N 2.380 122.207 119.800 0.045 0.000 2.312 174 Q HA 0.511 4.851 4.340 0.000 0.000 0.263 174 Q C -0.918 175.115 176.000 0.056 0.000 0.995 174 Q CA -0.817 54.960 55.803 -0.042 0.000 0.853 174 Q CB 2.885 31.640 28.738 0.029 0.000 1.300 174 Q HN 0.859 nan 8.270 nan 0.000 0.448 175 L N 1.370 122.592 121.223 -0.002 0.000 2.418 175 L HA 0.302 4.642 4.340 0.000 0.000 0.265 175 L C 1.059 177.972 176.870 0.071 0.000 1.143 175 L CA -0.394 54.500 54.840 0.091 0.000 0.809 175 L CB 0.718 42.810 42.059 0.054 0.000 1.124 175 L HN 0.677 nan 8.230 nan 0.000 0.456 176 T N -0.986 113.604 114.554 0.061 0.000 2.868 176 T HA 0.132 4.482 4.350 0.000 0.000 0.292 176 T C 0.935 175.637 174.700 0.004 0.000 1.028 176 T CA -0.732 61.384 62.100 0.026 0.000 1.059 176 T CB 1.079 69.950 68.868 0.005 0.000 0.991 176 T HN 0.476 nan 8.240 nan 0.000 0.531 177 L N 0.714 121.938 121.223 0.002 0.000 2.079 177 L HA -0.084 4.256 4.340 0.000 0.000 0.210 177 L C 2.214 179.090 176.870 0.010 0.000 1.081 177 L CA 1.925 56.759 54.840 -0.009 0.000 0.752 177 L CB -1.074 40.977 42.059 -0.013 0.000 0.896 177 L HN 0.855 nan 8.230 nan 0.000 0.433 178 D N -0.545 119.869 120.400 0.024 0.000 2.123 178 D HA -0.215 4.425 4.640 0.000 0.000 0.196 178 D C 1.944 178.319 176.300 0.125 0.000 0.992 178 D CA 1.588 55.640 54.000 0.087 0.000 0.833 178 D CB 0.204 41.072 40.800 0.113 0.000 0.954 178 D HN 0.570 nan 8.370 nan 0.000 0.455 179 E N 0.369 120.518 120.200 -0.086 0.000 2.106 179 E HA -0.108 4.242 4.350 0.000 0.000 0.192 179 E C 2.287 179.039 176.600 0.253 0.000 0.984 179 E CA 0.125 56.480 56.400 -0.075 0.000 0.806 179 E CB 0.048 29.674 29.700 -0.122 0.000 0.750 179 E HN 0.258 nan 8.360 nan 0.000 0.458 180 L N 0.896 122.173 121.223 0.090 0.000 2.017 180 L HA -0.202 4.138 4.340 0.000 0.000 0.208 180 L C 2.305 179.200 176.870 0.041 0.000 1.073 180 L CA 1.257 56.093 54.840 -0.007 0.000 0.745 180 L CB -0.182 41.818 42.059 -0.098 0.000 0.894 180 L HN 0.210 nan 8.230 nan 0.000 0.432 181 I N -0.877 119.743 120.570 0.083 0.000 2.163 181 I HA -0.382 3.788 4.170 0.000 0.000 0.243 181 I C 2.455 178.701 176.117 0.216 0.000 1.085 181 I CA 1.571 62.931 61.300 0.101 0.000 1.347 181 I CB -0.428 37.628 38.000 0.093 0.000 1.044 181 I HN 0.244 nan 8.210 nan 0.000 0.408 182 F N 1.843 121.913 119.950 0.199 0.000 2.134 182 F HA -0.202 4.325 4.527 0.000 0.000 0.299 182 F C 2.473 178.433 175.800 0.266 0.000 1.097 182 F CA 1.368 59.540 58.000 0.287 0.000 1.264 182 F CB -0.405 38.864 39.000 0.448 0.000 1.001 182 F HN -0.005 nan 8.300 nan 0.000 0.479 183 A N -0.081 122.894 122.820 0.259 0.000 1.902 183 A HA -0.215 4.105 4.320 0.000 0.000 0.217 183 A C 2.273 179.788 177.584 -0.115 0.000 1.181 183 A CA 2.625 54.687 52.037 0.040 0.000 0.623 183 A CB -1.657 17.312 19.000 -0.050 0.000 0.818 183 A HN 0.541 nan 8.150 nan 0.000 0.443 184 T N -2.013 112.508 114.554 -0.055 0.000 2.821 184 T HA -0.091 4.259 4.350 0.000 0.000 0.267 184 T C 1.808 176.561 174.700 0.087 0.000 1.046 184 T CA 1.546 63.639 62.100 -0.012 0.000 1.139 184 T CB -0.261 68.610 68.868 0.005 0.000 0.871 184 T HN 0.523 nan 8.240 nan 0.000 0.454 185 K N 0.184 120.652 120.400 0.113 0.000 2.062 185 K HA 0.124 4.444 4.320 0.000 0.000 0.205 185 K C 2.506 179.172 176.600 0.112 0.000 1.051 185 K CA 1.107 57.553 56.287 0.266 0.000 0.941 185 K CB -0.203 32.489 32.500 0.320 0.000 0.719 185 K HN 0.226 nan 8.250 nan 0.000 0.440 186 M N 0.465 119.957 119.600 -0.180 0.000 2.175 186 M HA -0.074 4.406 4.480 0.000 0.000 0.264 186 M C 2.385 178.519 176.300 -0.275 0.000 1.063 186 M CA 1.301 56.385 55.300 -0.360 0.000 1.119 186 M CB -0.902 31.358 32.600 -0.567 0.000 1.377 186 M HN 0.155 nan 8.290 nan 0.000 0.415 187 A N -0.840 121.801 122.820 -0.298 0.000 1.933 187 A HA -0.203 4.117 4.320 0.000 0.000 0.218 187 A C 1.981 179.356 177.584 -0.349 0.000 1.175 187 A CA 1.311 53.037 52.037 -0.519 0.000 0.628 187 A CB -1.053 17.306 19.000 -1.069 0.000 0.814 187 A HN 0.673 nan 8.150 nan 0.000 0.444 188 W N 0.877 122.028 121.300 -0.249 0.000 2.379 188 W HA -0.077 4.583 4.660 0.000 0.000 0.307 188 W C 2.260 178.685 176.519 -0.156 0.000 1.200 188 W CA 1.400 58.696 57.345 -0.082 0.000 1.297 188 W CB -0.728 28.716 29.460 -0.027 0.000 1.140 188 W HN 0.320 nan 8.180 nan 0.000 0.507 189 R N 0.184 120.591 120.500 -0.154 0.000 2.117 189 R HA -0.191 4.149 4.340 0.000 0.000 0.243 189 R C 1.520 177.674 176.300 -0.242 0.000 1.143 189 R CA 1.778 57.645 56.100 -0.388 0.000 0.968 189 R CB -0.471 29.448 30.300 -0.635 0.000 0.863 189 R HN 0.097 nan 8.270 nan 0.000 0.444 190 N N 0.027 118.605 118.700 -0.204 0.000 2.461 190 N HA 0.024 4.764 4.740 0.000 0.000 0.188 190 N C -0.573 174.842 175.510 -0.159 0.000 1.134 190 N CA 0.438 53.400 53.050 -0.147 0.000 0.878 190 N CB 0.603 39.045 38.487 -0.075 0.000 0.972 190 N HN 0.135 nan 8.380 nan 0.000 0.456 191 A N 2.341 125.054 122.820 -0.178 0.000 2.457 191 A HA 0.220 4.540 4.320 0.000 0.000 0.298 191 A C -1.047 176.472 177.584 -0.108 0.000 1.288 191 A CA -1.065 50.832 52.037 -0.233 0.000 0.956 191 A CB 0.440 19.380 19.000 -0.099 0.000 1.135 191 A HN 0.015 nan 8.150 nan 0.000 0.535 192 P HA -0.111 nan 4.420 nan 0.000 0.226 192 P C 0.730 178.002 177.300 -0.047 0.000 1.153 192 P CA 0.924 63.992 63.100 -0.055 0.000 0.777 192 P CB 0.225 31.895 31.700 -0.050 0.000 0.794 193 R N -1.349 119.091 120.500 -0.100 0.000 2.393 193 R HA 0.182 4.522 4.340 0.000 0.000 0.244 193 R C 0.315 176.650 176.300 0.059 0.000 0.920 193 R CA -0.191 55.883 56.100 -0.044 0.000 1.076 193 R CB -0.153 29.933 30.300 -0.357 0.000 1.119 193 R HN 0.143 nan 8.270 nan 0.000 0.524 194 C N 0.588 119.890 119.300 0.004 0.000 2.281 194 C HA 0.364 4.824 4.460 0.000 0.000 0.325 194 C C 1.634 176.592 174.990 -0.054 0.000 1.282 194 C CA -0.849 58.194 59.018 0.042 0.000 1.640 194 C CB -0.272 27.556 27.740 0.146 0.000 2.288 194 C HN 0.583 nan 8.230 nan 0.000 0.507 195 I N 4.218 124.721 120.570 -0.112 0.000 3.251 195 I HA 0.177 4.347 4.170 0.000 0.000 0.277 195 I C 1.900 178.051 176.117 0.058 0.000 1.268 195 I CA 1.212 62.373 61.300 -0.231 0.000 1.449 195 I CB 0.130 38.007 38.000 -0.206 0.000 1.083 195 I HN 0.922 nan 8.210 nan 0.000 0.464 196 G N 0.067 108.915 108.800 0.080 0.000 2.985 196 G HA2 -0.042 3.918 3.960 0.000 0.000 0.209 196 G HA3 -0.042 3.918 3.960 0.000 0.000 0.209 196 G C 1.360 176.273 174.900 0.022 0.000 1.165 196 G CA -0.306 44.843 45.100 0.082 0.000 0.776 196 G HN 0.282 nan 8.290 nan 0.000 0.541 197 R N -0.251 120.201 120.500 -0.080 0.000 2.371 197 R HA -0.006 4.334 4.340 0.000 0.000 0.226 197 R C 1.954 177.742 176.300 -0.855 0.000 1.132 197 R CA 0.396 56.139 56.100 -0.595 0.000 1.027 197 R CB -0.270 29.715 30.300 -0.525 0.000 0.848 197 R HN 0.461 nan 8.270 nan 0.000 0.479 198 I N 0.571 120.852 120.570 -0.481 0.000 2.830 198 I HA -0.190 3.980 4.170 0.000 0.000 0.263 198 I C 1.369 177.378 176.117 -0.180 0.000 1.230 198 I CA 1.042 62.211 61.300 -0.218 0.000 1.480 198 I CB 0.190 38.197 38.000 0.011 0.000 1.095 198 I HN 0.130 nan 8.210 nan 0.000 0.455 199 Q N 0.583 120.207 119.800 -0.294 0.000 2.403 199 Q HA -0.083 4.257 4.340 0.000 0.000 0.203 199 Q C 1.551 177.142 176.000 -0.681 0.000 0.932 199 Q CA 0.245 55.879 55.803 -0.282 0.000 0.945 199 Q CB -0.186 28.531 28.738 -0.034 0.000 1.045 199 Q HN 0.777 nan 8.270 nan 0.000 0.511 200 W N 1.151 121.731 121.300 -1.200 0.000 2.313 200 W HA -0.223 4.437 4.660 0.000 0.000 0.293 200 W C 1.076 177.326 176.519 -0.449 0.000 1.216 200 W CA 1.564 58.088 57.345 -1.368 0.000 1.223 200 W CB -1.202 27.645 29.460 -1.021 0.000 1.138 200 W HN 0.157 nan 8.180 nan 0.000 0.535 201 S N 0.181 115.133 115.700 -1.247 0.000 2.593 201 S HA 0.045 4.515 4.470 0.000 0.000 0.217 201 S C 0.040 174.419 174.600 -0.368 0.000 0.966 201 S CA -0.092 57.518 58.200 -0.983 0.000 0.914 201 S CB -0.923 61.507 63.200 -1.285 0.000 0.776 201 S HN 0.344 nan 8.310 nan 0.000 0.523 202 N N 1.414 120.007 118.700 -0.178 0.000 2.707 202 N HA 0.607 5.347 4.740 0.000 0.000 0.235 202 N C -1.559 174.046 175.510 0.158 0.000 1.028 202 N CA -0.419 52.633 53.050 0.003 0.000 0.906 202 N CB 1.389 39.905 38.487 0.048 0.000 1.131 202 N HN 0.206 nan 8.380 nan 0.000 0.509 203 L N 1.548 122.830 121.223 0.098 0.000 2.543 203 L HA 0.349 4.689 4.340 0.000 0.000 0.265 203 L C -1.298 175.530 176.870 -0.070 0.000 0.945 203 L CA -0.644 54.238 54.840 0.069 0.000 0.869 203 L CB 1.965 44.122 42.059 0.163 0.000 1.294 203 L HN 0.287 nan 8.230 nan 0.000 0.405 204 Q N 2.930 122.626 119.800 -0.173 0.000 2.267 204 Q HA 0.630 4.970 4.340 0.000 0.000 0.255 204 Q C -1.636 174.007 176.000 -0.594 0.000 0.923 204 Q CA -0.136 55.406 55.803 -0.436 0.000 0.925 204 Q CB 1.540 29.876 28.738 -0.670 0.000 1.195 204 Q HN 0.532 nan 8.270 nan 0.000 0.417 205 V N 5.755 125.315 119.914 -0.591 0.000 2.409 205 V HA 0.425 4.545 4.120 0.000 0.000 0.291 205 V C -0.948 174.797 176.094 -0.583 0.000 1.020 205 V CA -0.606 61.403 62.300 -0.486 0.000 0.848 205 V CB 0.741 32.414 31.823 -0.251 0.000 0.990 205 V HN 0.661 nan 8.190 nan 0.000 0.430 206 F N 2.577 122.369 119.950 -0.262 0.000 2.361 206 F HA 0.379 4.906 4.527 0.000 0.000 0.364 206 F C 0.524 176.133 175.800 -0.319 0.000 1.120 206 F CA -1.219 56.611 58.000 -0.283 0.000 1.102 206 F CB 1.022 39.844 39.000 -0.296 0.000 1.183 206 F HN 0.426 nan 8.300 nan 0.000 0.476 207 D N 3.392 123.739 120.400 -0.088 0.000 2.402 207 D HA 0.355 4.995 4.640 0.000 0.000 0.235 207 D C 0.209 176.348 176.300 -0.268 0.000 1.226 207 D CA 0.150 54.047 54.000 -0.173 0.000 0.918 207 D CB 0.763 41.500 40.800 -0.105 0.000 1.043 207 D HN 0.579 nan 8.370 nan 0.000 0.506 208 A N 4.420 126.954 122.820 -0.476 0.000 2.713 208 A HA 0.171 4.491 4.320 0.000 0.000 0.296 208 A C 1.619 178.999 177.584 -0.341 0.000 1.255 208 A CA -0.411 51.216 52.037 -0.683 0.000 0.955 208 A CB -0.017 18.119 19.000 -1.440 0.000 1.149 208 A HN 0.487 nan 8.150 nan 0.000 0.538 209 R N 0.626 121.009 120.500 -0.196 0.000 2.316 209 R HA -0.085 4.255 4.340 0.000 0.000 0.202 209 R C 0.876 177.136 176.300 -0.067 0.000 1.029 209 R CA 1.170 57.214 56.100 -0.093 0.000 1.018 209 R CB 0.035 30.322 30.300 -0.022 0.000 0.888 209 R HN 0.722 nan 8.270 nan 0.000 0.471 210 N N -0.712 117.967 118.700 -0.036 0.000 2.230 210 N HA -0.038 4.702 4.740 0.000 0.000 0.202 210 N C 0.057 175.615 175.510 0.080 0.000 1.119 210 N CA -0.321 52.742 53.050 0.022 0.000 0.851 210 N CB -0.295 38.216 38.487 0.041 0.000 0.990 210 N HN -0.002 nan 8.380 nan 0.000 0.497 211 C N 1.140 120.495 119.300 0.092 0.000 2.644 211 C HA 0.511 4.971 4.460 0.000 0.000 0.417 211 C C 1.669 176.830 174.990 0.285 0.000 1.304 211 C CA 0.395 59.561 59.018 0.246 0.000 2.035 211 C CB -0.035 27.960 27.740 0.426 0.000 2.673 211 C HN 0.649 nan 8.230 nan 0.000 0.602 212 S N 1.809 117.740 115.700 0.385 0.000 2.648 212 S HA 0.196 4.666 4.470 0.000 0.000 0.270 212 S C 0.277 175.070 174.600 0.322 0.000 1.082 212 S CA 0.419 58.889 58.200 0.450 0.000 1.116 212 S CB -0.225 63.135 63.200 0.267 0.000 1.040 212 S HN 1.030 nan 8.310 nan 0.000 0.572 213 T N -1.103 113.598 114.554 0.245 0.000 2.932 213 T HA 0.844 5.194 4.350 0.000 0.000 0.289 213 T C 1.273 176.038 174.700 0.108 0.000 1.039 213 T CA -0.196 61.983 62.100 0.131 0.000 1.024 213 T CB 1.545 70.479 68.868 0.110 0.000 1.090 213 T HN 0.237 nan 8.240 nan 0.000 0.496 214 A N 0.644 123.501 122.820 0.061 0.000 1.933 214 A HA -0.096 4.224 4.320 0.000 0.000 0.218 214 A C 2.309 179.863 177.584 -0.050 0.000 1.175 214 A CA 2.061 54.132 52.037 0.055 0.000 0.628 214 A CB -1.198 17.927 19.000 0.208 0.000 0.814 214 A HN 0.876 nan 8.150 nan 0.000 0.444 215 Q N 0.116 119.951 119.800 0.059 0.000 2.124 215 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 215 Q C 1.777 177.755 176.000 -0.036 0.000 0.977 215 Q CA 2.211 58.010 55.803 -0.007 0.000 0.850 215 Q CB -0.330 28.497 28.738 0.147 0.000 0.901 215 Q HN 0.768 nan 8.270 nan 0.000 0.429 216 E N -0.794 119.425 120.200 0.031 0.000 2.152 216 E HA -0.128 4.222 4.350 0.000 0.000 0.192 216 E C 1.984 178.658 176.600 0.123 0.000 0.983 216 E CA 0.999 57.421 56.400 0.037 0.000 0.818 216 E CB -0.080 29.696 29.700 0.126 0.000 0.758 216 E HN 0.443 nan 8.360 nan 0.000 0.467 217 M N 0.062 119.761 119.600 0.164 0.000 2.067 217 M HA -0.151 4.329 4.480 0.000 0.000 0.260 217 M C 2.251 178.636 176.300 0.142 0.000 1.069 217 M CA 1.253 56.675 55.300 0.203 0.000 1.117 217 M CB -0.340 32.189 32.600 -0.118 0.000 1.334 217 M HN 0.145 nan 8.290 nan 0.000 0.407 218 F N 1.594 121.377 119.950 -0.278 0.000 2.120 218 F HA -0.279 4.248 4.527 0.000 0.000 0.300 218 F C 2.212 177.904 175.800 -0.179 0.000 1.095 218 F CA 1.852 59.625 58.000 -0.379 0.000 1.249 218 F CB -0.667 37.759 39.000 -0.955 0.000 0.995 218 F HN 0.207 nan 8.300 nan 0.000 0.480 219 Q N -1.125 118.443 119.800 -0.387 0.000 2.079 219 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 219 Q C 2.106 177.930 176.000 -0.293 0.000 0.974 219 Q CA 1.971 57.502 55.803 -0.454 0.000 0.840 219 Q CB -0.459 28.069 28.738 -0.352 0.000 0.898 219 Q HN 0.600 nan 8.270 nan 0.000 0.430 220 H N 0.004 119.031 119.070 -0.071 0.000 2.353 220 H HA -0.087 4.469 4.556 0.000 0.000 0.300 220 H C 1.964 177.280 175.328 -0.020 0.000 1.090 220 H CA 1.296 57.319 56.048 -0.043 0.000 1.327 220 H CB 0.116 29.928 29.762 0.085 0.000 1.383 220 H HN 0.166 nan 8.280 nan 0.000 0.508 221 I N -0.361 120.327 120.570 0.197 0.000 2.226 221 I HA -0.335 3.835 4.170 0.000 0.000 0.245 221 I C 2.211 178.347 176.117 0.031 0.000 1.100 221 I CA 0.723 62.109 61.300 0.142 0.000 1.374 221 I CB -0.212 37.880 38.000 0.154 0.000 1.057 221 I HN 0.436 nan 8.210 nan 0.000 0.413 222 C N 0.303 119.530 119.300 -0.121 0.000 2.432 222 C HA -0.168 4.292 4.460 0.000 0.000 0.277 222 C C 2.993 177.931 174.990 -0.086 0.000 1.249 222 C CA 0.964 59.888 59.018 -0.156 0.000 1.725 222 C CB -1.142 26.382 27.740 -0.360 0.000 2.028 222 C HN 0.479 nan 8.230 nan 0.000 0.477 223 R N -0.057 120.364 120.500 -0.132 0.000 2.120 223 R HA -0.186 4.154 4.340 0.000 0.000 0.234 223 R C 2.086 178.305 176.300 -0.136 0.000 1.123 223 R CA 2.017 58.014 56.100 -0.172 0.000 0.975 223 R CB -0.620 29.503 30.300 -0.296 0.000 0.866 223 R HN 0.781 nan 8.270 nan 0.000 0.446 224 H N 0.141 119.109 119.070 -0.171 0.000 2.276 224 H HA -0.052 4.504 4.556 0.000 0.000 0.301 224 H C 2.146 177.544 175.328 0.117 0.000 1.073 224 H CA 2.310 58.354 56.048 -0.006 0.000 1.311 224 H CB -0.079 29.717 29.762 0.056 0.000 1.379 224 H HN 0.148 nan 8.280 nan 0.000 0.494 225 I N 0.119 120.869 120.570 0.299 0.000 2.145 225 I HA -0.292 3.878 4.170 0.000 0.000 0.244 225 I C 2.443 178.659 176.117 0.166 0.000 1.075 225 I CA 1.136 62.558 61.300 0.203 0.000 1.332 225 I CB -0.262 37.792 38.000 0.090 0.000 1.033 225 I HN 0.338 nan 8.210 nan 0.000 0.410 226 L N 0.015 121.306 121.223 0.113 0.000 2.046 226 L HA -0.264 4.076 4.340 0.000 0.000 0.208 226 L C 2.484 179.420 176.870 0.109 0.000 1.077 226 L CA 1.862 56.751 54.840 0.081 0.000 0.747 226 L CB -0.816 41.265 42.059 0.037 0.000 0.896 226 L HN 0.247 nan 8.230 nan 0.000 0.432 227 Y N -0.095 120.236 120.300 0.051 0.000 2.163 227 Y HA -0.134 4.416 4.550 0.000 0.000 0.288 227 Y C 2.376 178.345 175.900 0.115 0.000 1.136 227 Y CA 1.760 59.916 58.100 0.094 0.000 1.147 227 Y CB -0.617 37.951 38.460 0.180 0.000 0.987 227 Y HN 0.221 nan 8.280 nan 0.000 0.509 228 A N -0.250 122.746 122.820 0.294 0.000 1.865 228 A HA -0.228 4.092 4.320 0.000 0.000 0.217 228 A C 2.225 179.867 177.584 0.097 0.000 1.191 228 A CA 2.584 54.757 52.037 0.226 0.000 0.623 228 A CB -1.490 17.722 19.000 0.354 0.000 0.826 228 A HN 0.534 nan 8.150 nan 0.000 0.444 229 T N -0.064 114.556 114.554 0.109 0.000 2.635 229 T HA -0.200 4.150 4.350 0.000 0.000 0.267 229 T C 1.241 175.950 174.700 0.016 0.000 1.040 229 T CA 1.611 63.761 62.100 0.083 0.000 1.156 229 T CB -0.493 68.424 68.868 0.082 0.000 0.863 229 T HN 0.653 nan 8.240 nan 0.000 0.430 230 N N 1.763 120.435 118.700 -0.047 0.000 2.701 230 N HA -0.272 4.468 4.740 0.000 0.000 0.250 230 N C -0.100 175.386 175.510 -0.040 0.000 1.046 230 N CA 0.959 53.956 53.050 -0.088 0.000 0.733 230 N CB -2.164 36.224 38.487 -0.165 0.000 0.973 230 N HN 0.704 nan 8.380 nan 0.000 0.541 231 N N -1.543 117.149 118.700 -0.012 0.000 2.708 231 N HA -0.218 4.522 4.740 0.000 0.000 0.255 231 N C 0.975 176.480 175.510 -0.007 0.000 1.046 231 N CA 1.331 54.377 53.050 -0.007 0.000 0.715 231 N CB -1.276 37.202 38.487 -0.014 0.000 0.895 231 N HN 1.017 nan 8.380 nan 0.000 0.545 232 G N 0.982 109.789 108.800 0.013 0.000 2.417 232 G HA2 -0.370 3.590 3.960 0.000 0.000 0.233 232 G HA3 -0.370 3.590 3.960 0.000 0.000 0.233 232 G C 0.091 175.003 174.900 0.020 0.000 1.103 232 G CA 0.463 45.575 45.100 0.021 0.000 0.647 232 G HN 0.666 nan 8.290 nan 0.000 0.512 233 N N 1.938 120.630 118.700 -0.012 0.000 3.178 233 N HA 0.286 5.026 4.740 0.000 0.000 0.300 233 N C 0.742 176.238 175.510 -0.023 0.000 1.242 233 N CA -0.678 52.348 53.050 -0.040 0.000 1.192 233 N CB -0.295 38.160 38.487 -0.055 0.000 1.463 233 N HN 0.298 nan 8.380 nan 0.000 0.539 234 I N 1.765 122.356 120.570 0.035 0.000 2.996 234 I HA -0.163 4.007 4.170 0.000 0.000 0.311 234 I C 0.758 176.993 176.117 0.196 0.000 1.219 234 I CA 1.177 62.563 61.300 0.143 0.000 1.452 234 I CB -0.265 37.910 38.000 0.292 0.000 1.319 234 I HN 0.393 nan 8.210 nan 0.000 0.564 235 R N 3.647 124.260 120.500 0.188 0.000 2.561 235 R HA 0.379 4.719 4.340 0.000 0.000 0.297 235 R C -0.465 175.994 176.300 0.264 0.000 0.969 235 R CA -0.666 55.566 56.100 0.220 0.000 0.879 235 R CB 1.983 32.289 30.300 0.010 0.000 1.178 235 R HN 0.568 nan 8.270 nan 0.000 0.445 236 S N 1.490 117.332 115.700 0.237 0.000 2.533 236 S HA 0.473 4.943 4.470 0.000 0.000 0.282 236 S C -0.370 174.255 174.600 0.043 0.000 1.304 236 S CA -0.155 58.076 58.200 0.051 0.000 1.063 236 S CB 1.141 64.286 63.200 -0.091 0.000 0.881 236 S HN 0.676 nan 8.310 nan 0.000 0.493 237 A N 3.024 125.840 122.820 -0.007 0.000 2.606 237 A HA 0.840 5.160 4.320 0.000 0.000 0.293 237 A C -1.258 176.315 177.584 -0.019 0.000 1.082 237 A CA -0.659 51.298 52.037 -0.132 0.000 0.685 237 A CB 1.211 20.084 19.000 -0.213 0.000 1.284 237 A HN 0.798 nan 8.150 nan 0.000 0.408 238 I N 0.769 121.289 120.570 -0.084 0.000 2.752 238 I HA 0.707 4.877 4.170 0.000 0.000 0.295 238 I C -0.698 175.476 176.117 0.096 0.000 1.219 238 I CA -0.217 61.169 61.300 0.144 0.000 1.030 238 I CB 2.527 40.529 38.000 0.003 0.000 1.259 238 I HN 0.916 nan 8.210 nan 0.000 0.423 239 T N 4.218 118.892 114.554 0.202 0.000 2.812 239 T HA 0.654 5.004 4.350 0.000 0.000 0.282 239 T C -0.803 173.757 174.700 -0.233 0.000 0.990 239 T CA -0.624 61.473 62.100 -0.004 0.000 0.960 239 T CB 1.395 70.272 68.868 0.016 0.000 0.948 239 T HN 0.258 nan 8.240 nan 0.000 0.438 240 V N 4.706 124.413 119.914 -0.344 0.000 2.370 240 V HA 0.511 4.631 4.120 0.000 0.000 0.279 240 V C -0.383 175.452 176.094 -0.432 0.000 1.029 240 V CA -0.711 61.393 62.300 -0.326 0.000 0.870 240 V CB 0.046 31.635 31.823 -0.390 0.000 0.984 240 V HN 0.824 nan 8.190 nan 0.000 0.451 241 F N 4.745 124.675 119.950 -0.034 0.000 2.403 241 F HA 0.535 5.062 4.527 0.000 0.000 0.326 241 F C -1.920 173.823 175.800 -0.096 0.000 1.099 241 F CA -2.482 55.446 58.000 -0.121 0.000 1.036 241 F CB 0.449 39.401 39.000 -0.080 0.000 1.336 241 F HN 0.292 nan 8.300 nan 0.000 0.497 242 P HA -0.011 nan 4.420 nan 0.000 0.262 242 P C -1.112 176.149 177.300 -0.064 0.000 1.182 242 P CA -0.060 62.912 63.100 -0.213 0.000 0.761 242 P CB 0.156 31.503 31.700 -0.590 0.000 0.795 243 Q N 3.218 122.935 119.800 -0.139 0.000 2.432 243 Q HA 0.072 4.412 4.340 0.000 0.000 0.264 243 Q C 0.150 176.022 176.000 -0.214 0.000 1.035 243 Q CA -0.537 54.980 55.803 -0.477 0.000 0.908 243 Q CB 0.658 28.826 28.738 -0.949 0.000 1.280 243 Q HN 0.328 nan 8.270 nan 0.000 0.455 244 R N 1.580 121.968 120.500 -0.187 0.000 2.458 244 R HA -0.023 4.317 4.340 0.000 0.000 0.303 244 R C 0.325 176.585 176.300 -0.066 0.000 1.013 244 R CA 0.710 56.780 56.100 -0.051 0.000 1.026 244 R CB 0.492 30.767 30.300 -0.041 0.000 0.948 244 R HN 0.937 nan 8.270 nan 0.000 0.417 245 S N 2.972 118.673 115.700 0.001 0.000 2.291 245 S HA -0.089 4.381 4.470 0.000 0.000 0.185 245 S C 0.907 175.507 174.600 -0.001 0.000 0.996 245 S CA 0.642 58.831 58.200 -0.018 0.000 0.997 245 S CB -0.175 63.011 63.200 -0.023 0.000 0.899 245 S HN 0.830 nan 8.310 nan 0.000 0.493 246 D N -0.555 119.866 120.400 0.036 0.000 2.369 246 D HA 0.372 5.012 4.640 0.000 0.000 0.211 246 D C 1.324 177.664 176.300 0.067 0.000 1.077 246 D CA 0.574 54.602 54.000 0.048 0.000 0.842 246 D CB -0.069 40.764 40.800 0.056 0.000 0.947 246 D HN 0.832 nan 8.370 nan 0.000 0.509 247 G N 0.465 109.315 108.800 0.084 0.000 2.175 247 G HA2 -0.334 3.626 3.960 0.000 0.000 0.244 247 G HA3 -0.334 3.626 3.960 0.000 0.000 0.244 247 G C 0.946 175.889 174.900 0.071 0.000 0.982 247 G CA 0.299 45.437 45.100 0.064 0.000 0.641 247 G HN 0.408 nan 8.290 nan 0.000 0.527 248 K N -0.065 120.409 120.400 0.124 0.000 2.374 248 K HA 0.310 4.630 4.320 0.000 0.000 0.202 248 K C 0.756 177.275 176.600 -0.136 0.000 1.040 248 K CA -0.099 56.202 56.287 0.024 0.000 1.085 248 K CB 0.312 32.829 32.500 0.028 0.000 0.873 248 K HN 0.553 nan 8.250 nan 0.000 0.539 249 H N 0.359 119.452 119.070 0.038 0.000 2.549 249 H HA 0.151 4.707 4.556 0.000 0.000 0.253 249 H C -0.810 174.576 175.328 0.097 0.000 1.170 249 H CA -0.550 55.526 56.048 0.047 0.000 0.943 249 H CB 0.577 30.385 29.762 0.076 0.000 1.849 249 H HN 0.066 nan 8.280 nan 0.000 0.603 250 D N 0.869 121.356 120.400 0.146 0.000 2.424 250 D HA 0.024 4.664 4.640 0.000 0.000 0.244 250 D C 0.062 176.454 176.300 0.152 0.000 1.134 250 D CA 0.465 54.578 54.000 0.189 0.000 0.881 250 D CB 0.670 41.540 40.800 0.116 0.000 1.191 250 D HN 0.051 nan 8.370 nan 0.000 0.445 251 F N 2.511 122.496 119.950 0.059 0.000 2.411 251 F HA 0.347 4.874 4.527 0.000 0.000 0.350 251 F C 0.955 176.766 175.800 0.018 0.000 1.114 251 F CA -0.269 57.738 58.000 0.013 0.000 1.135 251 F CB 0.742 39.741 39.000 -0.002 0.000 1.120 251 F HN -0.146 nan 8.300 nan 0.000 0.495 252 R N 3.530 124.106 120.500 0.127 0.000 2.651 252 R HA 0.512 4.852 4.340 0.000 0.000 0.278 252 R C -1.737 174.682 176.300 0.199 0.000 1.010 252 R CA -1.133 55.062 56.100 0.158 0.000 0.896 252 R CB 2.253 32.657 30.300 0.173 0.000 1.211 252 R HN 0.455 nan 8.270 nan 0.000 0.456 253 L N 2.006 123.327 121.223 0.164 0.000 2.272 253 L HA 0.351 4.691 4.340 0.000 0.000 0.289 253 L C 0.575 177.621 176.870 0.293 0.000 1.032 253 L CA -0.088 54.858 54.840 0.176 0.000 0.810 253 L CB 0.787 42.885 42.059 0.065 0.000 1.205 253 L HN 0.583 nan 8.230 nan 0.000 0.422 254 W N 0.793 122.125 121.300 0.054 0.000 2.800 254 W HA 0.055 4.715 4.660 0.000 0.000 0.249 254 W C 0.575 177.090 176.519 -0.006 0.000 1.294 254 W CA -0.520 56.930 57.345 0.175 0.000 1.402 254 W CB -0.991 28.701 29.460 0.386 0.000 1.126 254 W HN 0.483 nan 8.180 nan 0.000 0.652 255 N N -0.476 118.252 118.700 0.046 0.000 2.503 255 N HA 0.060 4.800 4.740 0.000 0.000 0.267 255 N C 1.196 176.542 175.510 -0.272 0.000 1.214 255 N CA 0.416 53.264 53.050 -0.336 0.000 0.959 255 N CB 0.921 39.325 38.487 -0.139 0.000 1.142 255 N HN -0.276 nan 8.380 nan 0.000 0.455 256 S N 0.549 116.042 115.700 -0.344 0.000 2.345 256 S HA -0.100 4.370 4.470 0.000 0.000 0.220 256 S C 0.290 174.787 174.600 -0.172 0.000 1.031 256 S CA 1.098 59.180 58.200 -0.197 0.000 0.996 256 S CB -0.182 62.931 63.200 -0.145 0.000 0.882 256 S HN 0.642 nan 8.310 nan 0.000 0.445 257 Q N -0.738 118.952 119.800 -0.183 0.000 2.484 257 Q HA 0.479 4.819 4.340 0.000 0.000 0.285 257 Q C 0.070 175.943 176.000 -0.212 0.000 1.097 257 Q CA -0.938 54.749 55.803 -0.193 0.000 0.802 257 Q CB 0.926 29.581 28.738 -0.139 0.000 1.444 257 Q HN -0.087 nan 8.270 nan 0.000 0.429 258 L N 0.508 121.599 121.223 -0.220 0.000 1.990 258 L HA -0.045 4.295 4.340 0.000 0.000 0.213 258 L C 0.728 177.455 176.870 -0.240 0.000 1.072 258 L CA 1.877 56.602 54.840 -0.192 0.000 0.755 258 L CB -0.180 41.764 42.059 -0.191 0.000 0.889 258 L HN 0.560 nan 8.230 nan 0.000 0.432 259 I N -0.823 119.509 120.570 -0.396 0.000 2.362 259 I HA 0.389 4.559 4.170 0.000 0.000 0.289 259 I C -0.210 175.302 176.117 -1.008 0.000 0.994 259 I CA -0.615 60.287 61.300 -0.664 0.000 1.158 259 I CB 1.542 39.070 38.000 -0.787 0.000 1.315 259 I HN 0.033 nan 8.210 nan 0.000 0.451 260 R N 4.710 124.775 120.500 -0.724 0.000 2.604 260 R HA 0.468 4.808 4.340 0.000 0.000 0.270 260 R C -1.787 174.309 176.300 -0.340 0.000 1.052 260 R CA -0.703 55.081 56.100 -0.526 0.000 0.902 260 R CB 1.277 31.441 30.300 -0.226 0.000 1.233 260 R HN 0.274 nan 8.270 nan 0.000 0.455 261 Y N 1.259 121.556 120.300 -0.004 0.000 2.301 261 Y HA 0.616 5.166 4.550 0.000 0.000 0.325 261 Y C 0.900 176.782 175.900 -0.030 0.000 1.203 261 Y CA -0.404 57.714 58.100 0.029 0.000 1.255 261 Y CB 1.203 39.741 38.460 0.131 0.000 1.232 261 Y HN 0.723 nan 8.280 nan 0.000 0.501 262 A N 1.131 124.004 122.820 0.089 0.000 2.332 262 A HA 0.686 5.006 4.320 0.000 0.000 0.258 262 A C 0.393 177.778 177.584 -0.332 0.000 1.087 262 A CA 0.167 52.082 52.037 -0.203 0.000 0.802 262 A CB -0.091 18.717 19.000 -0.321 0.000 1.042 262 A HN 0.915 nan 8.150 nan 0.000 0.489 263 G N -0.238 108.280 108.800 -0.469 0.000 2.666 263 G HA2 0.578 4.538 3.960 0.000 0.000 0.303 263 G HA3 0.578 4.538 3.960 0.000 0.000 0.303 263 G C -1.366 173.295 174.900 -0.399 0.000 1.412 263 G CA -0.266 44.626 45.100 -0.346 0.000 0.979 263 G HN 0.517 nan 8.290 nan 0.000 0.507 264 Y N 0.440 120.759 120.300 0.031 0.000 2.393 264 Y HA 0.460 5.010 4.550 0.000 0.000 0.341 264 Y C 0.412 176.354 175.900 0.070 0.000 0.988 264 Y CA -1.188 56.955 58.100 0.071 0.000 1.078 264 Y CB 2.654 41.204 38.460 0.151 0.000 1.203 264 Y HN 0.446 nan 8.280 nan 0.000 0.453 265 Q N 3.508 123.447 119.800 0.231 0.000 3.027 265 Q HA 0.264 4.604 4.340 0.000 0.000 0.260 265 Q C -0.576 175.509 176.000 0.142 0.000 1.379 265 Q CA 0.020 55.907 55.803 0.141 0.000 1.038 265 Q CB -0.174 28.623 28.738 0.098 0.000 1.578 265 Q HN 0.649 nan 8.270 nan 0.000 0.571 266 M N 3.159 122.843 119.600 0.140 0.000 2.243 266 M HA -0.029 4.451 4.480 0.000 0.000 0.309 266 M C -1.027 175.287 176.300 0.024 0.000 1.050 266 M CA -0.668 54.675 55.300 0.072 0.000 1.139 266 M CB 0.094 32.725 32.600 0.051 0.000 1.457 266 M HN 0.371 nan 8.290 nan 0.000 0.440 267 P HA -0.203 nan 4.420 nan 0.000 0.216 267 P C 0.315 177.606 177.300 -0.015 0.000 1.153 267 P CA 1.677 64.759 63.100 -0.029 0.000 0.858 267 P CB -0.391 31.270 31.700 -0.065 0.000 0.789 268 D N -1.131 119.261 120.400 -0.014 0.000 2.395 268 D HA 0.048 4.688 4.640 0.000 0.000 0.250 268 D C 1.351 177.655 176.300 0.006 0.000 1.203 268 D CA 0.621 54.617 54.000 -0.006 0.000 0.872 268 D CB -0.900 39.895 40.800 -0.009 0.000 0.941 268 D HN 0.309 nan 8.370 nan 0.000 0.504 269 G N 0.887 109.694 108.800 0.012 0.000 2.284 269 G HA2 -0.382 3.578 3.960 0.000 0.000 0.261 269 G HA3 -0.382 3.578 3.960 0.000 0.000 0.261 269 G C 0.785 175.701 174.900 0.025 0.000 0.997 269 G CA 1.012 46.123 45.100 0.019 0.000 0.621 269 G HN 0.699 nan 8.290 nan 0.000 0.534 270 T N -1.144 113.426 114.554 0.027 0.000 2.889 270 T HA 0.680 5.030 4.350 0.000 0.000 0.340 270 T C 0.462 175.188 174.700 0.043 0.000 1.145 270 T CA 0.238 62.357 62.100 0.032 0.000 0.986 270 T CB 1.295 70.181 68.868 0.029 0.000 1.461 270 T HN 0.789 nan 8.240 nan 0.000 0.541 271 I N 0.145 120.740 120.570 0.041 0.000 2.627 271 I HA 0.374 4.544 4.170 0.000 0.000 0.288 271 I C -0.241 175.897 176.117 0.035 0.000 1.202 271 I CA -0.760 60.568 61.300 0.047 0.000 1.050 271 I CB 2.267 40.277 38.000 0.016 0.000 1.264 271 I HN 0.535 nan 8.210 nan 0.000 0.429 272 R N 3.156 123.715 120.500 0.099 0.000 2.540 272 R HA 0.765 5.105 4.340 0.000 0.000 0.287 272 R C 0.606 176.917 176.300 0.019 0.000 0.980 272 R CA 0.410 56.562 56.100 0.088 0.000 0.966 272 R CB 1.827 32.236 30.300 0.181 0.000 1.106 272 R HN 0.919 nan 8.270 nan 0.000 0.480 273 G N 1.843 110.560 108.800 -0.138 0.000 2.520 273 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 273 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 273 G C -0.969 173.509 174.900 -0.703 0.000 1.161 273 G CA 0.103 45.029 45.100 -0.290 0.000 0.946 273 G HN 0.591 nan 8.290 nan 0.000 0.565 274 D N 1.602 121.782 120.400 -0.367 0.000 2.454 274 D HA 0.672 5.312 4.640 0.000 0.000 0.225 274 D C 1.301 177.521 176.300 -0.135 0.000 1.081 274 D CA 0.651 54.487 54.000 -0.274 0.000 0.864 274 D CB 0.794 41.712 40.800 0.197 0.000 1.040 274 D HN 0.920 nan 8.370 nan 0.000 0.517 275 A N 3.487 126.217 122.820 -0.150 0.000 2.131 275 A HA -0.042 4.278 4.320 0.000 0.000 0.220 275 A C 2.005 179.587 177.584 -0.003 0.000 1.158 275 A CA 1.674 53.674 52.037 -0.061 0.000 0.665 275 A CB -0.212 18.761 19.000 -0.046 0.000 0.795 275 A HN 0.597 nan 8.150 nan 0.000 0.460 276 A N -0.249 122.591 122.820 0.033 0.000 1.969 276 A HA -0.011 4.309 4.320 0.000 0.000 0.218 276 A C 2.019 179.639 177.584 0.061 0.000 1.169 276 A CA 1.859 53.935 52.037 0.064 0.000 0.635 276 A CB -0.968 18.095 19.000 0.105 0.000 0.810 276 A HN 0.800 nan 8.150 nan 0.000 0.445 277 T N -2.242 112.345 114.554 0.055 0.000 3.332 277 T HA 0.478 4.828 4.350 0.000 0.000 0.246 277 T C 1.112 175.823 174.700 0.018 0.000 0.943 277 T CA -0.150 61.989 62.100 0.065 0.000 0.922 277 T CB -0.327 68.589 68.868 0.079 0.000 1.086 277 T HN 0.248 nan 8.240 nan 0.000 0.590 278 L N 0.324 121.549 121.223 0.002 0.000 1.993 278 L HA 0.054 4.394 4.340 0.000 0.000 0.206 278 L C 2.963 179.814 176.870 -0.032 0.000 1.074 278 L CA 1.613 56.436 54.840 -0.028 0.000 0.746 278 L CB -0.374 41.681 42.059 -0.006 0.000 0.896 278 L HN 0.420 nan 8.230 nan 0.000 0.435 279 E N -0.311 119.886 120.200 -0.006 0.000 2.160 279 E HA -0.293 4.057 4.350 0.000 0.000 0.195 279 E C 2.074 178.593 176.600 -0.135 0.000 0.991 279 E CA 1.380 57.754 56.400 -0.043 0.000 0.810 279 E CB -0.038 29.670 29.700 0.012 0.000 0.742 279 E HN 0.381 nan 8.360 nan 0.000 0.466 280 F N 0.791 120.580 119.950 -0.269 0.000 2.293 280 F HA -0.035 4.492 4.527 0.000 0.000 0.297 280 F C 2.181 177.810 175.800 -0.284 0.000 1.089 280 F CA 1.415 59.190 58.000 -0.374 0.000 1.377 280 F CB -0.366 38.464 39.000 -0.283 0.000 1.051 280 F HN -0.082 nan 8.300 nan 0.000 0.511 281 T N -0.031 114.360 114.554 -0.273 0.000 2.746 281 T HA -0.247 4.103 4.350 0.000 0.000 0.267 281 T C 1.767 176.314 174.700 -0.256 0.000 1.039 281 T CA 1.720 63.615 62.100 -0.342 0.000 1.142 281 T CB -0.307 68.404 68.868 -0.262 0.000 0.866 281 T HN 0.259 nan 8.240 nan 0.000 0.444 282 Q N 0.690 120.382 119.800 -0.180 0.000 2.084 282 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 282 Q C 2.115 178.008 176.000 -0.179 0.000 0.978 282 Q CA 1.259 56.991 55.803 -0.118 0.000 0.844 282 Q CB -0.738 27.950 28.738 -0.083 0.000 0.898 282 Q HN 0.403 nan 8.270 nan 0.000 0.426 283 L N -0.321 120.725 121.223 -0.295 0.000 2.042 283 L HA -0.213 4.127 4.340 0.000 0.000 0.210 283 L C 2.183 178.865 176.870 -0.313 0.000 1.076 283 L CA 1.858 56.514 54.840 -0.308 0.000 0.749 283 L CB -0.862 40.941 42.059 -0.425 0.000 0.893 283 L HN 0.431 nan 8.230 nan 0.000 0.432 284 C N -0.779 118.233 119.300 -0.481 0.000 2.425 284 C HA -0.128 4.332 4.460 0.000 0.000 0.277 284 C C 2.662 177.619 174.990 -0.055 0.000 1.280 284 C CA 0.321 59.106 59.018 -0.389 0.000 1.744 284 C CB -0.940 26.391 27.740 -0.683 0.000 1.989 284 C HN 0.537 nan 8.230 nan 0.000 0.491 285 I N 1.501 122.069 120.570 -0.004 0.000 2.163 285 I HA -0.129 4.041 4.170 0.000 0.000 0.240 285 I C 2.071 178.176 176.117 -0.020 0.000 1.081 285 I CA 1.802 63.134 61.300 0.054 0.000 1.353 285 I CB -1.650 36.373 38.000 0.040 0.000 1.054 285 I HN 0.287 nan 8.210 nan 0.000 0.407 286 D N 0.888 121.248 120.400 -0.066 0.000 2.228 286 D HA -0.145 4.495 4.640 0.000 0.000 0.203 286 D C 1.984 178.227 176.300 -0.095 0.000 0.988 286 D CA 0.933 54.880 54.000 -0.088 0.000 0.864 286 D CB -0.210 40.520 40.800 -0.117 0.000 0.928 286 D HN 0.330 nan 8.370 nan 0.000 0.469 287 L N -0.830 120.341 121.223 -0.087 0.000 2.629 287 L HA 0.248 4.588 4.340 0.000 0.000 0.230 287 L C 1.268 178.101 176.870 -0.062 0.000 1.151 287 L CA 0.160 54.950 54.840 -0.083 0.000 0.924 287 L CB -0.107 41.890 42.059 -0.103 0.000 1.137 287 L HN 0.107 nan 8.230 nan 0.000 0.457 288 G N -0.837 107.940 108.800 -0.038 0.000 2.132 288 G HA2 -0.300 3.660 3.960 0.000 0.000 0.234 288 G HA3 -0.300 3.660 3.960 0.000 0.000 0.234 288 G C -0.209 174.695 174.900 0.008 0.000 0.989 288 G CA -0.299 44.781 45.100 -0.033 0.000 0.676 288 G HN 0.372 nan 8.290 nan 0.000 0.522 289 W N 1.912 123.124 121.300 -0.147 0.000 2.202 289 W HA 0.654 5.314 4.660 0.000 0.000 0.332 289 W C 0.193 176.647 176.519 -0.108 0.000 1.263 289 W CA -0.923 56.338 57.345 -0.140 0.000 1.223 289 W CB 0.732 30.091 29.460 -0.169 0.000 1.128 289 W HN -0.065 nan 8.180 nan 0.000 0.573 290 K N 7.727 127.564 120.400 -0.938 0.000 2.250 290 K HA 0.193 4.513 4.320 0.000 0.000 0.285 290 K C -2.332 173.455 176.600 -1.356 0.000 1.097 290 K CA -1.898 53.877 56.287 -0.853 0.000 0.913 290 K CB 0.070 32.243 32.500 -0.545 0.000 1.179 290 K HN 0.315 nan 8.250 nan 0.000 0.462 291 P HA 0.099 nan 4.420 nan 0.000 0.265 291 P C 0.180 177.059 177.300 -0.702 0.000 1.222 291 P CA -0.016 62.535 63.100 -0.915 0.000 0.767 291 P CB 0.559 31.806 31.700 -0.754 0.000 0.801 292 R N 2.849 123.055 120.500 -0.489 0.000 2.320 292 R HA 0.039 4.379 4.340 0.000 0.000 0.211 292 R C -0.089 176.122 176.300 -0.148 0.000 0.931 292 R CA -0.417 55.559 56.100 -0.205 0.000 1.071 292 R CB -0.617 29.657 30.300 -0.043 0.000 1.025 292 R HN 0.346 nan 8.270 nan 0.000 0.495 293 Y N -0.977 119.003 120.300 -0.533 0.000 2.975 293 Y HA -0.297 4.253 4.550 0.000 0.000 0.194 293 Y C 0.605 176.307 175.900 -0.331 0.000 1.437 293 Y CA 0.825 58.384 58.100 -0.901 0.000 0.863 293 Y CB -1.370 36.732 38.460 -0.597 0.000 1.368 293 Y HN 0.350 nan 8.280 nan 0.000 0.365 294 G N 0.559 109.423 108.800 0.105 0.000 2.947 294 G HA2 0.640 4.600 3.960 0.000 0.000 0.293 294 G HA3 0.640 4.600 3.960 0.000 0.000 0.293 294 G C 0.323 175.365 174.900 0.238 0.000 1.243 294 G CA -0.779 44.437 45.100 0.193 0.000 0.802 294 G HN 0.205 nan 8.290 nan 0.000 0.560 295 R N -1.453 119.100 120.500 0.088 0.000 2.250 295 R HA 0.280 4.620 4.340 0.000 0.000 0.194 295 R C 0.027 176.009 176.300 -0.530 0.000 0.927 295 R CA 0.428 56.415 56.100 -0.188 0.000 1.052 295 R CB 0.470 30.602 30.300 -0.279 0.000 1.055 295 R HN 0.293 nan 8.270 nan 0.000 0.537 296 F N 1.245 121.153 119.950 -0.070 0.000 2.761 296 F HA 0.267 4.794 4.527 0.000 0.000 0.367 296 F C -0.724 175.059 175.800 -0.029 0.000 1.386 296 F CA -1.043 56.654 58.000 -0.504 0.000 1.177 296 F CB 0.679 39.292 39.000 -0.644 0.000 1.092 296 F HN -0.289 nan 8.300 nan 0.000 0.517 297 D N 1.852 122.439 120.400 0.312 0.000 2.374 297 D HA 0.116 4.756 4.640 0.000 0.000 0.240 297 D C 0.297 176.857 176.300 0.434 0.000 1.229 297 D CA 0.214 54.454 54.000 0.400 0.000 0.895 297 D CB 1.486 42.567 40.800 0.467 0.000 1.046 297 D HN -0.056 nan 8.370 nan 0.000 0.498 298 V N 4.203 124.359 119.914 0.403 0.000 2.452 298 V HA -0.108 4.012 4.120 0.000 0.000 0.286 298 V C 1.244 177.388 176.094 0.083 0.000 0.995 298 V CA 0.053 62.475 62.300 0.202 0.000 1.116 298 V CB -0.475 31.426 31.823 0.130 0.000 0.954 298 V HN 0.346 nan 8.190 nan 0.000 0.473 299 L N 8.509 129.681 121.223 -0.085 0.000 2.479 299 L HA 0.264 4.604 4.340 0.000 0.000 0.270 299 L C -1.652 175.039 176.870 -0.297 0.000 1.236 299 L CA -1.082 53.550 54.840 -0.346 0.000 0.823 299 L CB 0.405 42.301 42.059 -0.272 0.000 1.098 299 L HN 0.470 nan 8.230 nan 0.000 0.500 300 P HA 0.167 nan 4.420 nan 0.000 0.290 300 P C -1.091 176.126 177.300 -0.138 0.000 1.275 300 P CA -0.760 62.162 63.100 -0.297 0.000 0.841 300 P CB 1.358 32.775 31.700 -0.472 0.000 1.042 301 L N 3.077 124.282 121.223 -0.029 0.000 2.462 301 L HA 0.073 4.413 4.340 0.000 0.000 0.272 301 L C 0.412 177.316 176.870 0.057 0.000 1.166 301 L CA 0.126 54.998 54.840 0.053 0.000 0.880 301 L CB 0.020 42.138 42.059 0.097 0.000 1.142 301 L HN 0.150 nan 8.230 nan 0.000 0.473 302 V N 6.088 126.062 119.914 0.100 0.000 2.257 302 V HA 0.280 4.400 4.120 0.000 0.000 0.269 302 V C -0.134 175.930 176.094 -0.050 0.000 1.040 302 V CA -0.753 61.544 62.300 -0.004 0.000 0.813 302 V CB 1.136 33.015 31.823 0.093 0.000 1.065 302 V HN 0.337 nan 8.190 nan 0.000 0.457 303 L N 4.881 126.079 121.223 -0.042 0.000 2.295 303 L HA 0.552 4.892 4.340 0.000 0.000 0.285 303 L C 0.135 176.888 176.870 -0.195 0.000 1.035 303 L CA -0.231 54.571 54.840 -0.063 0.000 0.806 303 L CB 1.448 43.510 42.059 0.006 0.000 1.214 303 L HN 0.817 nan 8.230 nan 0.000 0.426 304 Q N 2.478 122.162 119.800 -0.194 0.000 2.333 304 Q HA 0.850 5.190 4.340 0.000 0.000 0.265 304 Q C -1.303 174.524 176.000 -0.288 0.000 0.989 304 Q CA -0.689 54.967 55.803 -0.245 0.000 0.842 304 Q CB 2.018 30.669 28.738 -0.145 0.000 1.262 304 Q HN 0.694 nan 8.270 nan 0.000 0.451 305 A N 3.187 125.766 122.820 -0.402 0.000 2.350 305 A HA 0.522 4.842 4.320 0.000 0.000 0.324 305 A C -0.269 176.846 177.584 -0.782 0.000 1.118 305 A CA -0.292 51.243 52.037 -0.837 0.000 0.783 305 A CB 1.127 19.800 19.000 -0.545 0.000 1.236 305 A HN 0.996 nan 8.150 nan 0.000 0.457 306 D N 0.919 120.570 120.400 -1.248 0.000 2.737 306 D HA -0.160 4.480 4.640 0.000 0.000 0.233 306 D C 1.209 177.375 176.300 -0.224 0.000 1.155 306 D CA 2.847 56.609 54.000 -0.396 0.000 0.667 306 D CB -1.112 39.622 40.800 -0.109 0.000 1.060 306 D HN 2.117 nan 8.370 nan 0.000 0.427 307 G N -1.161 107.494 108.800 -0.241 0.000 2.168 307 G HA2 -0.401 3.559 3.960 0.000 0.000 0.263 307 G HA3 -0.401 3.559 3.960 0.000 0.000 0.263 307 G C 0.395 175.232 174.900 -0.106 0.000 0.977 307 G CA 0.901 45.906 45.100 -0.158 0.000 0.659 307 G HN 0.608 nan 8.290 nan 0.000 0.533 308 Q N 0.419 120.133 119.800 -0.144 0.000 2.407 308 Q HA 0.476 4.816 4.340 0.000 0.000 0.214 308 Q C 0.221 176.165 176.000 -0.094 0.000 1.043 308 Q CA -0.320 55.423 55.803 -0.099 0.000 0.983 308 Q CB 0.409 29.080 28.738 -0.112 0.000 1.211 308 Q HN 0.318 nan 8.270 nan 0.000 0.564 309 D N 2.119 122.468 120.400 -0.085 0.000 2.443 309 D HA 0.068 4.708 4.640 0.000 0.000 0.239 309 D C -2.194 173.882 176.300 -0.372 0.000 1.136 309 D CA -0.915 52.959 54.000 -0.210 0.000 0.879 309 D CB 0.113 40.881 40.800 -0.054 0.000 1.195 309 D HN 0.241 nan 8.370 nan 0.000 0.443 310 P HA 0.056 nan 4.420 nan 0.000 0.268 310 P C -0.633 176.423 177.300 -0.406 0.000 1.205 310 P CA -0.011 62.662 63.100 -0.711 0.000 0.771 310 P CB 0.875 31.698 31.700 -1.462 0.000 0.858 311 E N 1.068 121.098 120.200 -0.284 0.000 2.179 311 E HA 0.339 4.689 4.350 0.000 0.000 0.275 311 E C -0.507 175.849 176.600 -0.406 0.000 0.945 311 E CA -1.171 55.044 56.400 -0.309 0.000 0.792 311 E CB 1.789 31.346 29.700 -0.239 0.000 1.125 311 E HN 0.193 nan 8.360 nan 0.000 0.397 312 V N 3.689 123.292 119.914 -0.517 0.000 2.583 312 V HA 0.270 4.390 4.120 0.000 0.000 0.287 312 V C -0.549 175.081 176.094 -0.774 0.000 1.051 312 V CA 0.023 62.056 62.300 -0.444 0.000 1.010 312 V CB -0.105 31.553 31.823 -0.276 0.000 0.988 312 V HN 0.506 nan 8.190 nan 0.000 0.478 313 F N 1.947 121.707 119.950 -0.317 0.000 2.585 313 F HA 0.414 4.941 4.527 0.000 0.000 0.319 313 F C 0.109 175.674 175.800 -0.391 0.000 1.165 313 F CA -0.634 57.042 58.000 -0.540 0.000 0.949 313 F CB 1.730 40.077 39.000 -1.088 0.000 1.218 313 F HN 0.443 nan 8.300 nan 0.000 0.453 314 E N 3.323 123.471 120.200 -0.086 0.000 2.313 314 E HA 0.449 4.799 4.350 0.000 0.000 0.276 314 E C -0.603 176.068 176.600 0.118 0.000 1.031 314 E CA -0.416 56.020 56.400 0.060 0.000 0.857 314 E CB 0.927 30.711 29.700 0.139 0.000 1.040 314 E HN 0.472 nan 8.360 nan 0.000 0.408 315 I N 5.958 126.622 120.570 0.157 0.000 2.441 315 I HA 0.153 4.323 4.170 0.000 0.000 0.287 315 I C -1.985 174.252 176.117 0.201 0.000 1.049 315 I CA -2.086 59.352 61.300 0.230 0.000 1.381 315 I CB 0.745 38.830 38.000 0.142 0.000 1.409 315 I HN 0.351 nan 8.210 nan 0.000 0.523 316 P HA 0.107 nan 4.420 nan 0.000 0.264 316 P C -2.027 175.339 177.300 0.109 0.000 1.229 316 P CA -0.953 62.238 63.100 0.152 0.000 0.780 316 P CB 0.222 31.999 31.700 0.129 0.000 0.808 317 P HA -0.249 nan 4.420 nan 0.000 0.218 317 P C 0.863 178.205 177.300 0.070 0.000 1.150 317 P CA 1.463 64.617 63.100 0.089 0.000 0.841 317 P CB -0.045 31.707 31.700 0.087 0.000 0.784 318 D N -1.166 119.271 120.400 0.061 0.000 2.218 318 D HA -0.102 4.538 4.640 0.000 0.000 0.204 318 D C 1.886 178.212 176.300 0.043 0.000 0.976 318 D CA 0.971 54.998 54.000 0.045 0.000 0.853 318 D CB -0.232 40.591 40.800 0.038 0.000 0.939 318 D HN 0.280 nan 8.370 nan 0.000 0.481 319 L N 0.589 121.842 121.223 0.049 0.000 2.209 319 L HA -0.005 4.335 4.340 0.000 0.000 0.207 319 L C 0.820 177.722 176.870 0.053 0.000 1.094 319 L CA 0.250 55.118 54.840 0.046 0.000 0.790 319 L CB 0.155 42.239 42.059 0.043 0.000 0.932 319 L HN -0.202 nan 8.230 nan 0.000 0.447 320 V N 2.712 122.660 119.914 0.056 0.000 2.364 320 V HA 0.018 4.138 4.120 0.000 0.000 0.252 320 V C 0.118 176.255 176.094 0.072 0.000 1.075 320 V CA -0.232 62.102 62.300 0.057 0.000 1.033 320 V CB 0.333 32.190 31.823 0.055 0.000 1.116 320 V HN 0.078 nan 8.190 nan 0.000 0.488 321 L N 5.990 127.260 121.223 0.079 0.000 2.319 321 L HA 0.472 4.812 4.340 0.000 0.000 0.280 321 L C 0.153 177.074 176.870 0.084 0.000 1.099 321 L CA 0.638 55.518 54.840 0.066 0.000 0.828 321 L CB 0.599 42.693 42.059 0.059 0.000 1.150 321 L HN 0.654 nan 8.230 nan 0.000 0.442 322 E N 3.193 123.418 120.200 0.041 0.000 2.281 322 E HA 0.645 4.995 4.350 0.000 0.000 0.262 322 E C -1.429 175.117 176.600 -0.090 0.000 0.933 322 E CA -1.058 55.358 56.400 0.026 0.000 0.809 322 E CB 2.450 32.182 29.700 0.053 0.000 1.242 322 E HN 0.378 nan 8.360 nan 0.000 0.418 323 V N 1.782 121.610 119.914 -0.144 0.000 2.409 323 V HA 0.208 4.328 4.120 0.000 0.000 0.290 323 V C -0.266 175.746 176.094 -0.136 0.000 1.017 323 V CA -0.881 61.263 62.300 -0.259 0.000 0.841 323 V CB 1.395 32.809 31.823 -0.681 0.000 1.003 323 V HN 0.830 nan 8.190 nan 0.000 0.426 324 T N 3.771 118.254 114.554 -0.118 0.000 2.851 324 T HA 0.470 4.820 4.350 0.000 0.000 0.298 324 T C 0.038 174.720 174.700 -0.029 0.000 0.977 324 T CA -0.713 61.329 62.100 -0.097 0.000 1.126 324 T CB 0.667 69.478 68.868 -0.096 0.000 0.916 324 T HN 0.297 nan 8.240 nan 0.000 0.529 325 M N 3.761 123.362 119.600 0.003 0.000 2.200 325 M HA 0.288 4.768 4.480 0.000 0.000 0.355 325 M C 0.459 176.872 176.300 0.188 0.000 1.283 325 M CA -0.031 55.352 55.300 0.139 0.000 1.124 325 M CB -0.113 32.594 32.600 0.179 0.000 1.625 325 M HN 0.966 nan 8.290 nan 0.000 0.463 326 E N 2.022 122.412 120.200 0.317 0.000 2.311 326 E HA 0.278 4.628 4.350 0.000 0.000 0.281 326 E C -1.256 175.537 176.600 0.322 0.000 0.905 326 E CA -0.775 55.832 56.400 0.345 0.000 0.778 326 E CB 1.424 31.241 29.700 0.196 0.000 1.240 326 E HN 0.611 nan 8.360 nan 0.000 0.410 327 H N 4.772 123.901 119.070 0.099 0.000 2.683 327 H HA 0.155 4.711 4.556 0.000 0.000 0.339 327 H C -1.563 173.653 175.328 -0.186 0.000 1.081 327 H CA -1.828 54.099 56.048 -0.201 0.000 1.432 327 H CB 1.657 31.139 29.762 -0.465 0.000 1.462 327 H HN 0.492 nan 8.280 nan 0.000 0.557 328 P HA -0.025 nan 4.420 nan 0.000 0.239 328 P C 0.215 177.506 177.300 -0.014 0.000 1.184 328 P CA 0.791 63.622 63.100 -0.448 0.000 0.760 328 P CB 0.751 31.912 31.700 -0.899 0.000 0.884 329 K N -1.656 118.883 120.400 0.232 0.000 2.757 329 K HA 0.171 4.491 4.320 0.000 0.000 0.201 329 K C 0.103 176.617 176.600 -0.143 0.000 1.495 329 K CA 0.363 56.658 56.287 0.012 0.000 1.090 329 K CB -0.282 32.210 32.500 -0.014 0.000 1.796 329 K HN -0.142 nan 8.250 nan 0.000 0.523 330 Y N 3.514 123.517 120.300 -0.494 0.000 2.530 330 Y HA 0.082 4.632 4.550 0.000 0.000 0.340 330 Y C 0.632 176.191 175.900 -0.568 0.000 1.247 330 Y CA 0.018 57.724 58.100 -0.656 0.000 1.727 330 Y CB -0.483 37.264 38.460 -1.190 0.000 1.613 330 Y HN 0.173 nan 8.280 nan 0.000 0.464 331 E N 1.936 122.060 120.200 -0.128 0.000 2.396 331 E HA -0.205 4.145 4.350 0.000 0.000 0.200 331 E C 1.279 177.909 176.600 0.050 0.000 1.023 331 E CA 1.009 57.404 56.400 -0.007 0.000 0.857 331 E CB -0.088 29.641 29.700 0.048 0.000 0.775 331 E HN 0.882 nan 8.360 nan 0.000 0.525 332 W N -0.491 120.912 121.300 0.171 0.000 3.047 332 W HA 0.017 4.677 4.660 0.000 0.000 0.250 332 W C 1.257 177.891 176.519 0.192 0.000 1.314 332 W CA -0.340 57.093 57.345 0.148 0.000 1.540 332 W CB -0.688 28.849 29.460 0.128 0.000 1.127 332 W HN -0.056 nan 8.180 nan 0.000 0.679 333 F N 3.634 123.281 119.950 -0.505 0.000 2.134 333 F HA -0.223 4.304 4.527 0.000 0.000 0.299 333 F C 2.819 178.567 175.800 -0.087 0.000 1.097 333 F CA 2.725 60.455 58.000 -0.449 0.000 1.264 333 F CB -0.539 38.123 39.000 -0.563 0.000 1.001 333 F HN 0.039 nan 8.300 nan 0.000 0.479 334 Q N -0.387 119.389 119.800 -0.041 0.000 2.436 334 Q HA -0.135 4.205 4.340 0.000 0.000 0.209 334 Q C 1.340 177.304 176.000 -0.061 0.000 0.965 334 Q CA 1.400 57.151 55.803 -0.088 0.000 0.910 334 Q CB -0.721 28.018 28.738 0.002 0.000 0.980 334 Q HN 0.497 nan 8.270 nan 0.000 0.491 335 E N 0.354 120.567 120.200 0.021 0.000 2.478 335 E HA -0.069 4.281 4.350 0.000 0.000 0.198 335 E C 1.012 177.627 176.600 0.026 0.000 1.046 335 E CA 0.160 56.595 56.400 0.059 0.000 0.870 335 E CB 0.166 29.952 29.700 0.143 0.000 0.818 335 E HN 0.309 nan 8.360 nan 0.000 0.527 336 L N -0.424 120.764 121.223 -0.059 0.000 2.418 336 L HA 0.099 4.439 4.340 0.000 0.000 0.218 336 L C 1.345 178.172 176.870 -0.072 0.000 1.125 336 L CA 0.951 55.737 54.840 -0.090 0.000 0.835 336 L CB -0.427 41.471 42.059 -0.267 0.000 0.953 336 L HN 0.154 nan 8.230 nan 0.000 0.454 337 G N 0.470 109.215 108.800 -0.092 0.000 2.324 337 G HA2 -0.243 3.717 3.960 0.000 0.000 0.292 337 G HA3 -0.243 3.717 3.960 0.000 0.000 0.292 337 G C -0.341 174.529 174.900 -0.050 0.000 1.079 337 G CA -0.127 44.946 45.100 -0.044 0.000 1.026 337 G HN 0.102 nan 8.290 nan 0.000 0.506 338 L N 0.232 121.329 121.223 -0.210 0.000 2.334 338 L HA 0.904 5.244 4.340 0.000 0.000 0.276 338 L C 0.361 177.024 176.870 -0.345 0.000 1.014 338 L CA -0.556 54.123 54.840 -0.268 0.000 0.815 338 L CB 1.742 43.520 42.059 -0.468 0.000 1.268 338 L HN 0.644 nan 8.230 nan 0.000 0.428 339 K N 1.763 121.849 120.400 -0.522 0.000 2.571 339 K HA 0.586 4.906 4.320 0.000 0.000 0.289 339 K C -1.894 174.772 176.600 0.110 0.000 1.028 339 K CA -0.996 55.116 56.287 -0.292 0.000 0.895 339 K CB 2.098 34.295 32.500 -0.505 0.000 1.534 339 K HN 0.489 nan 8.250 nan 0.000 0.421 340 W N 1.829 123.131 121.300 0.003 0.000 3.419 340 W HA 0.276 4.936 4.660 0.000 0.000 0.298 340 W C -1.395 175.167 176.519 0.072 0.000 1.260 340 W CA -0.767 56.654 57.345 0.128 0.000 1.199 340 W CB 1.355 30.753 29.460 -0.103 0.000 1.349 340 W HN 0.693 nan 8.180 nan 0.000 0.557 341 Y N 1.386 121.604 120.300 -0.137 0.000 2.480 341 Y HA 0.460 5.010 4.550 0.000 0.000 0.338 341 Y C 0.793 176.877 175.900 0.307 0.000 1.220 341 Y CA 0.380 58.481 58.100 0.002 0.000 1.430 341 Y CB 0.212 38.561 38.460 -0.184 0.000 1.311 341 Y HN 0.345 nan 8.280 nan 0.000 0.575 342 A N 2.840 125.902 122.820 0.404 0.000 2.251 342 A HA 0.194 4.514 4.320 0.000 0.000 0.209 342 A C 0.108 178.065 177.584 0.621 0.000 1.187 342 A CA -0.001 52.339 52.037 0.504 0.000 0.823 342 A CB -0.340 18.806 19.000 0.244 0.000 0.846 342 A HN 0.642 nan 8.150 nan 0.000 0.486 343 L N 1.697 123.285 121.223 0.609 0.000 2.324 343 L HA 0.431 4.771 4.340 0.000 0.000 0.274 343 L C -2.641 174.428 176.870 0.331 0.000 1.012 343 L CA -2.219 52.863 54.840 0.404 0.000 0.859 343 L CB 1.786 43.990 42.059 0.242 0.000 1.224 343 L HN -0.080 nan 8.230 nan 0.000 0.429 344 P HA 0.318 nan 4.420 nan 0.000 0.284 344 P C -1.242 175.966 177.300 -0.154 0.000 1.343 344 P CA -0.237 62.685 63.100 -0.297 0.000 0.826 344 P CB 1.174 32.329 31.700 -0.908 0.000 0.956 345 A N 4.651 127.392 122.820 -0.133 0.000 2.545 345 A HA 0.378 4.698 4.320 0.000 0.000 0.300 345 A C -0.160 177.198 177.584 -0.376 0.000 1.252 345 A CA -0.666 51.222 52.037 -0.248 0.000 0.753 345 A CB 0.759 19.634 19.000 -0.210 0.000 1.144 345 A HN 0.286 nan 8.150 nan 0.000 0.457 346 V N 2.123 121.659 119.914 -0.631 0.000 2.529 346 V HA 0.249 4.369 4.120 0.000 0.000 0.292 346 V C 1.322 177.010 176.094 -0.677 0.000 1.028 346 V CA 1.259 63.134 62.300 -0.708 0.000 1.074 346 V CB 0.841 32.028 31.823 -1.062 0.000 0.958 346 V HN 1.039 nan 8.190 nan 0.000 0.481 347 A N 4.237 126.834 122.820 -0.371 0.000 2.259 347 A HA 0.113 4.433 4.320 0.000 0.000 0.213 347 A C 1.349 178.856 177.584 -0.128 0.000 1.209 347 A CA 0.421 52.316 52.037 -0.237 0.000 0.910 347 A CB -0.121 18.778 19.000 -0.169 0.000 0.946 347 A HN 0.919 nan 8.150 nan 0.000 0.497 348 N N -1.157 117.473 118.700 -0.116 0.000 2.251 348 N HA 0.296 5.036 4.740 0.000 0.000 0.217 348 N C 0.198 175.724 175.510 0.028 0.000 1.124 348 N CA -0.234 52.789 53.050 -0.044 0.000 0.843 348 N CB 0.142 38.584 38.487 -0.075 0.000 1.024 348 N HN 0.313 nan 8.380 nan 0.000 0.501 349 M N 1.093 120.723 119.600 0.050 0.000 2.371 349 M HA 0.367 4.847 4.480 0.000 0.000 0.301 349 M C -0.618 175.817 176.300 0.224 0.000 1.173 349 M CA -0.858 54.544 55.300 0.170 0.000 1.020 349 M CB 2.039 34.766 32.600 0.212 0.000 1.490 349 M HN 0.129 nan 8.290 nan 0.000 0.485 350 L N 2.046 123.445 121.223 0.292 0.000 2.346 350 L HA 0.580 4.920 4.340 0.000 0.000 0.276 350 L C -1.557 175.560 176.870 0.412 0.000 1.006 350 L CA -1.031 54.000 54.840 0.319 0.000 0.817 350 L CB 1.522 43.733 42.059 0.254 0.000 1.272 350 L HN 0.584 nan 8.230 nan 0.000 0.421 351 L N 4.854 126.322 121.223 0.408 0.000 2.264 351 L HA 0.481 4.821 4.340 0.000 0.000 0.289 351 L C -0.488 176.577 176.870 0.324 0.000 1.044 351 L CA 0.355 55.398 54.840 0.338 0.000 0.807 351 L CB 1.084 43.302 42.059 0.265 0.000 1.192 351 L HN 0.644 nan 8.230 nan 0.000 0.425 352 E N 4.952 125.292 120.200 0.233 0.000 2.158 352 E HA 0.536 4.886 4.350 0.000 0.000 0.271 352 E C -1.901 174.739 176.600 0.068 0.000 0.911 352 E CA -0.438 56.083 56.400 0.201 0.000 0.767 352 E CB 1.893 31.793 29.700 0.334 0.000 1.120 352 E HN 0.534 nan 8.360 nan 0.000 0.405 353 V N 3.014 122.935 119.914 0.012 0.000 2.789 353 V HA 0.489 4.609 4.120 0.000 0.000 0.300 353 V C 0.247 176.225 176.094 -0.193 0.000 1.184 353 V CA 0.478 62.677 62.300 -0.168 0.000 0.930 353 V CB 1.293 32.922 31.823 -0.323 0.000 1.041 353 V HN 0.867 nan 8.190 nan 0.000 0.430 354 G N 4.292 113.007 108.800 -0.142 0.000 2.341 354 G HA2 0.088 4.048 3.960 0.000 0.000 0.292 354 G HA3 0.088 4.048 3.960 0.000 0.000 0.292 354 G C 1.643 176.678 174.900 0.226 0.000 1.021 354 G CA 1.418 46.587 45.100 0.114 0.000 0.905 354 G HN 2.784 nan 8.290 nan 0.000 0.508 355 G N -2.204 106.679 108.800 0.137 0.000 2.225 355 G HA2 -0.235 3.725 3.960 0.000 0.000 0.254 355 G HA3 -0.235 3.725 3.960 0.000 0.000 0.254 355 G C 0.505 175.453 174.900 0.079 0.000 0.988 355 G CA 0.622 45.847 45.100 0.208 0.000 0.625 355 G HN 1.279 nan 8.290 nan 0.000 0.527 356 L N 0.648 121.860 121.223 -0.019 0.000 2.387 356 L HA 0.736 5.076 4.340 0.000 0.000 0.266 356 L C 0.307 177.077 176.870 -0.166 0.000 1.059 356 L CA -0.863 53.868 54.840 -0.182 0.000 0.801 356 L CB 1.230 43.069 42.059 -0.366 0.000 1.223 356 L HN 0.413 nan 8.230 nan 0.000 0.456 357 E N 1.021 121.033 120.200 -0.314 0.000 2.290 357 E HA 0.442 4.792 4.350 0.000 0.000 0.274 357 E C -1.713 174.694 176.600 -0.321 0.000 0.889 357 E CA -0.570 55.734 56.400 -0.159 0.000 0.760 357 E CB 1.770 31.435 29.700 -0.058 0.000 1.206 357 E HN 0.221 nan 8.360 nan 0.000 0.419 358 F N 2.956 122.932 119.950 0.043 0.000 2.311 358 F HA 0.289 4.816 4.527 0.000 0.000 0.371 358 F C -1.607 174.264 175.800 0.119 0.000 1.083 358 F CA -2.388 55.653 58.000 0.068 0.000 1.113 358 F CB 1.606 40.640 39.000 0.056 0.000 1.349 358 F HN 0.361 nan 8.300 nan 0.000 0.470 359 P HA 0.013 nan 4.420 nan 0.000 0.242 359 P C -0.096 177.335 177.300 0.219 0.000 1.197 359 P CA 0.566 63.783 63.100 0.195 0.000 0.765 359 P CB 0.431 32.210 31.700 0.132 0.000 0.936 360 A N 0.352 123.349 122.820 0.296 0.000 2.499 360 A HA 0.533 4.853 4.320 0.000 0.000 0.280 360 A C -0.168 177.667 177.584 0.418 0.000 1.135 360 A CA -0.422 51.808 52.037 0.322 0.000 0.744 360 A CB 0.194 19.379 19.000 0.308 0.000 1.213 360 A HN 0.274 nan 8.150 nan 0.000 0.434 361 C N 0.872 120.355 119.300 0.305 0.000 3.253 361 C HA 0.478 4.938 4.460 0.000 0.000 0.230 361 C C -2.766 172.323 174.990 0.165 0.000 1.124 361 C CA -1.490 57.669 59.018 0.234 0.000 1.143 361 C CB -0.335 27.526 27.740 0.202 0.000 1.794 361 C HN 0.588 nan 8.230 nan 0.000 0.617 362 P HA 0.370 nan 4.420 nan 0.000 0.266 362 P C -0.586 176.672 177.300 -0.069 0.000 1.195 362 P CA 0.937 63.961 63.100 -0.128 0.000 0.768 362 P CB 0.630 32.241 31.700 -0.148 0.000 0.838 363 F N -0.222 119.615 119.950 -0.189 0.000 2.662 363 F HA 0.693 5.220 4.527 0.000 0.000 0.312 363 F C -1.079 174.615 175.800 -0.177 0.000 1.113 363 F CA -1.152 56.752 58.000 -0.160 0.000 0.951 363 F CB 1.678 40.463 39.000 -0.358 0.000 1.344 363 F HN 0.434 nan 8.300 nan 0.000 0.462 364 N N -0.198 118.614 118.700 0.186 0.000 2.598 364 N HA 0.627 5.367 4.740 0.000 0.000 0.263 364 N C -1.365 174.107 175.510 -0.063 0.000 1.254 364 N CA -0.353 52.727 53.050 0.051 0.000 0.863 364 N CB 1.814 40.362 38.487 0.101 0.000 1.586 364 N HN 1.107 nan 8.380 nan 0.000 0.491 365 G N -0.474 108.239 108.800 -0.146 0.000 3.356 365 G HA2 0.681 4.641 3.960 0.000 0.000 0.178 365 G HA3 0.681 4.641 3.960 0.000 0.000 0.178 365 G C -1.502 173.373 174.900 -0.042 0.000 1.130 365 G CA -0.610 44.320 45.100 -0.284 0.000 0.800 365 G HN 0.697 nan 8.290 nan 0.000 0.669 366 W N -1.808 119.505 121.300 0.021 0.000 2.894 366 W HA 0.825 5.485 4.660 0.000 0.000 0.345 366 W C -1.354 175.168 176.519 0.005 0.000 1.152 366 W CA -2.047 55.325 57.345 0.044 0.000 1.089 366 W CB 0.346 29.865 29.460 0.098 0.000 1.454 366 W HN 0.368 nan 8.180 nan 0.000 0.589 367 Y N 2.035 122.521 120.300 0.310 0.000 2.314 367 Y HA 0.333 4.883 4.550 0.000 0.000 0.334 367 Y C 0.628 176.559 175.900 0.051 0.000 1.266 367 Y CA -0.825 57.326 58.100 0.086 0.000 1.391 367 Y CB 1.319 39.734 38.460 -0.074 0.000 1.306 367 Y HN 0.404 nan 8.280 nan 0.000 0.558 368 M N 2.200 121.929 119.600 0.216 0.000 2.125 368 M HA 0.377 4.857 4.480 0.000 0.000 0.321 368 M C 0.933 177.190 176.300 -0.072 0.000 0.983 368 M CA -0.256 55.087 55.300 0.070 0.000 0.934 368 M CB 1.361 33.987 32.600 0.044 0.000 1.542 368 M HN 0.827 nan 8.290 nan 0.000 0.424 369 G N 2.206 110.910 108.800 -0.160 0.000 2.597 369 G HA2 -0.363 3.597 3.960 0.000 0.000 0.222 369 G HA3 -0.363 3.597 3.960 0.000 0.000 0.222 369 G C 1.116 175.826 174.900 -0.318 0.000 1.135 369 G CA 2.072 47.004 45.100 -0.279 0.000 0.759 369 G HN 0.888 nan 8.290 nan 0.000 0.595 370 T N -0.624 113.743 114.554 -0.312 0.000 2.803 370 T HA -0.079 4.271 4.350 0.000 0.000 0.269 370 T C 1.960 176.471 174.700 -0.316 0.000 1.052 370 T CA 1.686 63.570 62.100 -0.359 0.000 1.136 370 T CB -0.351 68.256 68.868 -0.435 0.000 0.864 370 T HN 0.578 nan 8.240 nan 0.000 0.467 371 E N 1.015 121.060 120.200 -0.257 0.000 2.085 371 E HA -0.059 4.291 4.350 0.000 0.000 0.194 371 E C 2.115 178.439 176.600 -0.460 0.000 0.994 371 E CA 1.411 57.674 56.400 -0.229 0.000 0.801 371 E CB -0.351 29.361 29.700 0.020 0.000 0.743 371 E HN 0.580 nan 8.360 nan 0.000 0.453 372 I N 0.504 120.659 120.570 -0.691 0.000 2.260 372 I HA -0.066 4.104 4.170 0.000 0.000 0.237 372 I C 2.653 178.180 176.117 -0.984 0.000 1.075 372 I CA 0.928 61.519 61.300 -1.182 0.000 1.376 372 I CB -0.680 36.542 38.000 -1.296 0.000 1.107 372 I HN 0.109 nan 8.210 nan 0.000 0.420 373 G N 0.752 109.224 108.800 -0.547 0.000 2.476 373 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 373 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 373 G C 1.595 176.421 174.900 -0.124 0.000 1.164 373 G CA 1.508 46.496 45.100 -0.187 0.000 0.768 373 G HN 0.250 nan 8.290 nan 0.000 0.560 374 V N 0.177 119.959 119.914 -0.221 0.000 2.436 374 V HA 0.064 4.184 4.120 0.000 0.000 0.240 374 V C 2.830 178.829 176.094 -0.157 0.000 1.040 374 V CA 1.160 63.361 62.300 -0.165 0.000 1.052 374 V CB -0.348 31.352 31.823 -0.205 0.000 0.707 374 V HN 0.129 nan 8.190 nan 0.000 0.469 375 R N 0.785 121.151 120.500 -0.224 0.000 2.051 375 R HA -0.024 4.316 4.340 0.000 0.000 0.225 375 R C 2.016 178.215 176.300 -0.168 0.000 1.155 375 R CA 1.518 57.509 56.100 -0.181 0.000 0.945 375 R CB -1.201 28.983 30.300 -0.194 0.000 0.840 375 R HN 0.474 nan 8.270 nan 0.000 0.432 376 D N 0.633 120.819 120.400 -0.356 0.000 2.092 376 D HA -0.149 4.491 4.640 0.000 0.000 0.193 376 D C 1.966 178.197 176.300 -0.115 0.000 0.994 376 D CA 1.239 54.989 54.000 -0.416 0.000 0.828 376 D CB -0.282 39.749 40.800 -1.281 0.000 0.963 376 D HN 0.083 nan 8.370 nan 0.000 0.450 377 F N 0.599 120.419 119.950 -0.217 0.000 2.187 377 F HA -0.021 4.506 4.527 0.000 0.000 0.295 377 F C 2.513 178.346 175.800 0.055 0.000 1.091 377 F CA -0.050 57.919 58.000 -0.052 0.000 1.308 377 F CB -0.876 38.072 39.000 -0.086 0.000 1.030 377 F HN 0.039 nan 8.300 nan 0.000 0.487 378 C N -0.994 118.418 119.300 0.186 0.000 2.696 378 C HA 0.150 4.610 4.460 0.000 0.000 0.264 378 C C 0.466 175.500 174.990 0.072 0.000 1.288 378 C CA -0.798 58.290 59.018 0.116 0.000 1.717 378 C CB -1.018 26.756 27.740 0.058 0.000 1.893 378 C HN 0.108 nan 8.230 nan 0.000 0.577 379 D N 1.304 121.741 120.400 0.062 0.000 2.414 379 D HA 0.085 4.725 4.640 0.000 0.000 0.242 379 D C 1.294 177.633 176.300 0.065 0.000 1.129 379 D CA 0.541 54.565 54.000 0.040 0.000 0.885 379 D CB 0.872 41.689 40.800 0.029 0.000 1.198 379 D HN 0.125 nan 8.370 nan 0.000 0.437 380 T N 1.051 115.631 114.554 0.044 0.000 2.833 380 T HA -0.179 4.171 4.350 0.000 0.000 0.269 380 T C 1.573 176.303 174.700 0.049 0.000 1.054 380 T CA 1.031 63.160 62.100 0.049 0.000 1.135 380 T CB 0.006 68.895 68.868 0.036 0.000 0.869 380 T HN 0.498 nan 8.240 nan 0.000 0.466 381 Q N 0.349 120.176 119.800 0.044 0.000 2.403 381 Q HA 0.131 4.471 4.340 0.000 0.000 0.203 381 Q C 1.039 177.068 176.000 0.049 0.000 0.932 381 Q CA 0.219 56.046 55.803 0.040 0.000 0.945 381 Q CB 0.252 29.011 28.738 0.036 0.000 1.045 381 Q HN 0.294 nan 8.270 nan 0.000 0.511 382 R N -0.263 120.282 120.500 0.076 0.000 2.647 382 R HA 0.260 4.600 4.340 0.000 0.000 0.124 382 R C 1.676 178.031 176.300 0.092 0.000 1.294 382 R CA -0.421 55.749 56.100 0.117 0.000 1.060 382 R CB -1.194 29.227 30.300 0.201 0.000 1.282 382 R HN 0.037 nan 8.270 nan 0.000 0.430 383 Y N 1.358 121.762 120.300 0.173 0.000 2.200 383 Y HA -0.139 4.411 4.550 0.000 0.000 0.290 383 Y C 0.797 176.771 175.900 0.125 0.000 1.137 383 Y CA 1.588 59.794 58.100 0.177 0.000 1.163 383 Y CB -0.148 38.490 38.460 0.297 0.000 0.988 383 Y HN 0.457 nan 8.280 nan 0.000 0.518 384 N N -0.124 118.731 118.700 0.258 0.000 2.746 384 N HA -0.198 4.542 4.740 0.000 0.000 0.250 384 N C 0.244 175.858 175.510 0.173 0.000 1.055 384 N CA 0.776 53.928 53.050 0.171 0.000 0.699 384 N CB -1.561 36.996 38.487 0.116 0.000 0.919 384 N HN 0.633 nan 8.380 nan 0.000 0.548 385 I N -3.291 117.396 120.570 0.195 0.000 3.684 385 I HA 0.084 4.254 4.170 0.000 0.000 0.304 385 I C 1.877 178.099 176.117 0.175 0.000 1.278 385 I CA -0.222 61.173 61.300 0.159 0.000 1.272 385 I CB -0.111 37.946 38.000 0.096 0.000 1.029 385 I HN 0.177 nan 8.210 nan 0.000 0.458 386 L N 1.419 122.753 121.223 0.186 0.000 1.990 386 L HA -0.257 4.083 4.340 0.000 0.000 0.213 386 L C 2.745 179.834 176.870 0.366 0.000 1.072 386 L CA 2.245 57.227 54.840 0.237 0.000 0.755 386 L CB -0.424 41.721 42.059 0.145 0.000 0.889 386 L HN 0.412 nan 8.230 nan 0.000 0.432 387 E N 0.653 121.038 120.200 0.308 0.000 2.086 387 E HA -0.318 4.032 4.350 0.000 0.000 0.205 387 E C 1.879 178.528 176.600 0.081 0.000 1.027 387 E CA 2.344 58.874 56.400 0.217 0.000 0.830 387 E CB -0.105 29.668 29.700 0.122 0.000 0.751 387 E HN 0.667 nan 8.360 nan 0.000 0.456 388 E N -0.709 119.547 120.200 0.095 0.000 2.299 388 E HA -0.058 4.292 4.350 0.000 0.000 0.193 388 E C 1.977 178.633 176.600 0.094 0.000 0.998 388 E CA 0.914 57.345 56.400 0.052 0.000 0.851 388 E CB 0.018 29.748 29.700 0.050 0.000 0.795 388 E HN 0.193 nan 8.360 nan 0.000 0.492 389 V N 1.397 121.432 119.914 0.202 0.000 2.667 389 V HA -0.081 4.039 4.120 0.000 0.000 0.252 389 V C 2.311 178.559 176.094 0.256 0.000 1.065 389 V CA 1.736 64.228 62.300 0.321 0.000 1.083 389 V CB -0.322 31.718 31.823 0.362 0.000 0.692 389 V HN 0.544 nan 8.190 nan 0.000 0.468 390 G N -0.289 108.640 108.800 0.216 0.000 2.396 390 G HA2 -0.147 3.813 3.960 0.000 0.000 0.214 390 G HA3 -0.147 3.813 3.960 0.000 0.000 0.214 390 G C 1.739 176.603 174.900 -0.061 0.000 1.166 390 G CA 0.275 45.473 45.100 0.163 0.000 0.793 390 G HN 0.376 nan 8.290 nan 0.000 0.533 391 R N 0.157 120.573 120.500 -0.141 0.000 2.080 391 R HA -0.020 4.321 4.340 0.000 0.000 0.236 391 R C 2.689 178.857 176.300 -0.219 0.000 1.137 391 R CA 1.307 57.295 56.100 -0.187 0.000 0.943 391 R CB -0.294 29.910 30.300 -0.159 0.000 0.846 391 R HN 0.213 nan 8.270 nan 0.000 0.431 392 R N -0.055 120.262 120.500 -0.306 0.000 2.293 392 R HA -0.035 4.305 4.340 0.000 0.000 0.219 392 R C 1.871 177.763 176.300 -0.680 0.000 1.091 392 R CA 0.936 56.613 56.100 -0.706 0.000 1.004 392 R CB -0.029 29.552 30.300 -1.199 0.000 0.865 392 R HN 0.278 nan 8.270 nan 0.000 0.469 393 M N -1.317 118.169 119.600 -0.189 0.000 2.509 393 M HA 0.136 4.616 4.480 0.000 0.000 0.250 393 M C 0.952 177.275 176.300 0.038 0.000 1.132 393 M CA 0.615 55.979 55.300 0.108 0.000 1.080 393 M CB 0.960 33.692 32.600 0.219 0.000 1.408 393 M HN 0.416 nan 8.290 nan 0.000 0.484 394 G N 0.922 109.681 108.800 -0.068 0.000 2.157 394 G HA2 -0.202 3.758 3.960 0.000 0.000 0.248 394 G HA3 -0.202 3.758 3.960 0.000 0.000 0.248 394 G C -0.093 174.778 174.900 -0.049 0.000 0.979 394 G CA -0.397 44.664 45.100 -0.065 0.000 0.650 394 G HN 0.238 nan 8.290 nan 0.000 0.529 395 L N 0.769 121.967 121.223 -0.042 0.000 2.476 395 L HA 0.341 4.681 4.340 0.000 0.000 0.264 395 L C 1.111 177.879 176.870 -0.171 0.000 1.224 395 L CA -0.038 54.778 54.840 -0.039 0.000 0.821 395 L CB 0.120 42.220 42.059 0.068 0.000 1.101 395 L HN 0.320 nan 8.230 nan 0.000 0.488 396 E N 0.636 120.758 120.200 -0.130 0.000 1.775 396 E HA 0.024 4.374 4.350 0.000 0.000 0.266 396 E C 0.700 177.003 176.600 -0.496 0.000 1.191 396 E CA -0.019 56.278 56.400 -0.172 0.000 1.048 396 E CB -0.090 29.597 29.700 -0.023 0.000 1.081 396 E HN 0.557 nan 8.360 nan 0.000 0.434 397 T N 0.952 115.056 114.554 -0.750 0.000 2.929 397 T HA -0.148 4.202 4.350 0.000 0.000 0.271 397 T C 0.886 175.057 174.700 -0.882 0.000 1.085 397 T CA 0.963 62.248 62.100 -1.358 0.000 1.125 397 T CB -0.073 68.150 68.868 -1.074 0.000 0.874 397 T HN 0.520 nan 8.240 nan 0.000 0.494 398 H N 0.299 119.206 119.070 -0.272 0.000 2.505 398 H HA 0.264 4.820 4.556 0.000 0.000 0.289 398 H C -0.055 175.288 175.328 0.024 0.000 1.052 398 H CA 0.194 56.199 56.048 -0.071 0.000 1.156 398 H CB 0.427 30.150 29.762 -0.064 0.000 1.507 398 H HN 0.150 nan 8.280 nan 0.000 0.548 399 T N 2.725 117.357 114.554 0.130 0.000 3.038 399 T HA 0.103 4.453 4.350 0.000 0.000 0.344 399 T C 1.255 176.140 174.700 0.308 0.000 1.054 399 T CA -0.444 61.762 62.100 0.177 0.000 1.092 399 T CB 1.167 70.107 68.868 0.119 0.000 1.031 399 T HN 0.025 nan 8.240 nan 0.000 0.482 400 L N 1.948 123.343 121.223 0.286 0.000 2.013 400 L HA -0.143 4.197 4.340 0.000 0.000 0.212 400 L C 2.787 179.748 176.870 0.152 0.000 1.073 400 L CA 2.198 57.177 54.840 0.232 0.000 0.753 400 L CB -1.469 40.661 42.059 0.120 0.000 0.890 400 L HN 0.724 nan 8.230 nan 0.000 0.432 401 A N -0.174 122.720 122.820 0.124 0.000 2.084 401 A HA -0.205 4.115 4.320 0.000 0.000 0.221 401 A C 2.388 180.034 177.584 0.103 0.000 1.161 401 A CA 1.737 53.827 52.037 0.088 0.000 0.653 401 A CB -0.609 18.434 19.000 0.072 0.000 0.802 401 A HN 0.626 nan 8.150 nan 0.000 0.457 402 S N -0.636 115.164 115.700 0.165 0.000 2.507 402 S HA 0.081 4.551 4.470 0.000 0.000 0.235 402 S C 0.861 175.560 174.600 0.164 0.000 0.988 402 S CA 0.715 59.017 58.200 0.169 0.000 0.944 402 S CB -0.761 62.560 63.200 0.203 0.000 0.762 402 S HN 0.916 nan 8.310 nan 0.000 0.526 403 L N 0.341 121.640 121.223 0.127 0.000 3.717 403 L HA -0.172 4.168 4.340 0.000 0.000 0.411 403 L C 1.606 178.515 176.870 0.066 0.000 1.233 403 L CA 0.674 55.531 54.840 0.030 0.000 0.917 403 L CB -2.694 39.382 42.059 0.027 0.000 1.902 403 L HN 0.727 nan 8.230 nan 0.000 0.894 404 W N 0.353 121.662 121.300 0.015 0.000 2.355 404 W HA -0.142 4.518 4.660 0.000 0.000 0.309 404 W C 1.754 178.282 176.519 0.016 0.000 1.206 404 W CA 1.428 58.782 57.345 0.016 0.000 1.284 404 W CB -0.878 28.587 29.460 0.008 0.000 1.145 404 W HN 0.243 nan 8.180 nan 0.000 0.502 405 K N 0.974 120.958 120.400 -0.692 0.000 2.113 405 K HA -0.213 4.107 4.320 0.000 0.000 0.208 405 K C 1.485 177.943 176.600 -0.235 0.000 1.047 405 K CA 2.466 58.358 56.287 -0.658 0.000 0.928 405 K CB -0.436 31.527 32.500 -0.895 0.000 0.716 405 K HN 0.111 nan 8.250 nan 0.000 0.446 406 D N -0.035 120.266 120.400 -0.165 0.000 2.117 406 D HA -0.083 4.557 4.640 0.000 0.000 0.198 406 D C 1.967 178.261 176.300 -0.010 0.000 0.982 406 D CA 0.988 54.945 54.000 -0.071 0.000 0.828 406 D CB 0.101 40.874 40.800 -0.045 0.000 0.967 406 D HN 0.116 nan 8.370 nan 0.000 0.464 407 R N 0.303 120.824 120.500 0.035 0.000 2.090 407 R HA 0.065 4.405 4.340 0.000 0.000 0.228 407 R C 2.182 178.518 176.300 0.060 0.000 1.110 407 R CA 0.988 57.129 56.100 0.067 0.000 0.973 407 R CB -0.170 30.197 30.300 0.112 0.000 0.869 407 R HN 0.121 nan 8.270 nan 0.000 0.440 408 A N 0.792 123.667 122.820 0.091 0.000 1.835 408 A HA -0.123 4.197 4.320 0.000 0.000 0.215 408 A C 2.301 179.906 177.584 0.036 0.000 1.199 408 A CA 1.473 53.569 52.037 0.098 0.000 0.615 408 A CB -0.839 18.282 19.000 0.202 0.000 0.838 408 A HN 0.096 nan 8.150 nan 0.000 0.444 409 V N 0.391 120.313 119.914 0.015 0.000 2.370 409 V HA -0.300 3.820 4.120 0.000 0.000 0.252 409 V C 2.698 178.777 176.094 -0.025 0.000 1.068 409 V CA 2.570 64.865 62.300 -0.010 0.000 1.061 409 V CB -1.528 30.267 31.823 -0.047 0.000 0.656 409 V HN 0.659 nan 8.190 nan 0.000 0.455 410 T N -0.725 113.820 114.554 -0.015 0.000 2.777 410 T HA -0.146 4.204 4.350 0.000 0.000 0.266 410 T C 1.861 176.540 174.700 -0.036 0.000 1.040 410 T CA 1.353 63.450 62.100 -0.006 0.000 1.141 410 T CB -0.229 68.652 68.868 0.021 0.000 0.868 410 T HN 0.481 nan 8.240 nan 0.000 0.444 411 E N 1.046 121.212 120.200 -0.058 0.000 2.106 411 E HA 0.035 4.385 4.350 0.000 0.000 0.192 411 E C 2.259 178.711 176.600 -0.248 0.000 0.984 411 E CA 0.613 56.945 56.400 -0.113 0.000 0.806 411 E CB -0.404 29.172 29.700 -0.208 0.000 0.750 411 E HN 0.527 nan 8.360 nan 0.000 0.458 412 I N 1.611 122.082 120.570 -0.164 0.000 2.286 412 I HA -0.251 3.919 4.170 0.000 0.000 0.248 412 I C 2.048 178.123 176.117 -0.070 0.000 1.115 412 I CA 0.793 62.032 61.300 -0.101 0.000 1.392 412 I CB -0.325 37.736 38.000 0.102 0.000 1.065 412 I HN 0.042 nan 8.210 nan 0.000 0.418 413 N N 0.756 119.409 118.700 -0.079 0.000 2.142 413 N HA -0.119 4.621 4.740 0.000 0.000 0.186 413 N C 1.973 177.431 175.510 -0.088 0.000 1.023 413 N CA 1.786 54.787 53.050 -0.083 0.000 0.852 413 N CB -0.187 38.252 38.487 -0.081 0.000 0.998 413 N HN 0.345 nan 8.380 nan 0.000 0.424 414 V N -0.956 118.878 119.914 -0.134 0.000 2.667 414 V HA 0.065 4.185 4.120 0.000 0.000 0.252 414 V C 2.343 178.296 176.094 -0.235 0.000 1.065 414 V CA 1.400 63.601 62.300 -0.164 0.000 1.083 414 V CB -1.109 30.594 31.823 -0.199 0.000 0.692 414 V HN 0.132 nan 8.190 nan 0.000 0.468 415 A N 0.899 123.504 122.820 -0.358 0.000 1.841 415 A HA -0.075 4.245 4.320 0.000 0.000 0.214 415 A C 2.401 180.005 177.584 0.033 0.000 1.195 415 A CA 2.146 54.005 52.037 -0.297 0.000 0.611 415 A CB -0.977 17.718 19.000 -0.508 0.000 0.835 415 A HN 0.357 nan 8.150 nan 0.000 0.443 416 V N -0.161 119.797 119.914 0.074 0.000 2.252 416 V HA -0.290 3.830 4.120 0.000 0.000 0.249 416 V C 2.574 178.763 176.094 0.158 0.000 1.056 416 V CA 2.206 64.603 62.300 0.162 0.000 1.022 416 V CB -0.863 30.969 31.823 0.014 0.000 0.641 416 V HN 0.492 nan 8.190 nan 0.000 0.445 417 L N -0.544 120.699 121.223 0.034 0.000 1.970 417 L HA -0.207 4.133 4.340 0.000 0.000 0.212 417 L C 2.480 179.417 176.870 0.111 0.000 1.071 417 L CA 2.395 57.255 54.840 0.034 0.000 0.751 417 L CB -1.402 40.666 42.059 0.016 0.000 0.889 417 L HN 0.487 nan 8.230 nan 0.000 0.432 418 H N -0.849 118.217 119.070 -0.007 0.000 2.289 418 H HA -0.198 4.358 4.556 0.000 0.000 0.294 418 H C 2.178 177.535 175.328 0.049 0.000 1.095 418 H CA 2.043 58.086 56.048 -0.009 0.000 1.256 418 H CB 0.306 30.011 29.762 -0.094 0.000 1.359 418 H HN 0.326 nan 8.280 nan 0.000 0.487 419 S N 0.305 116.007 115.700 0.004 0.000 2.359 419 S HA -0.178 4.292 4.470 0.000 0.000 0.222 419 S C 2.024 176.605 174.600 -0.032 0.000 1.038 419 S CA 1.635 59.813 58.200 -0.037 0.000 1.051 419 S CB -0.712 62.546 63.200 0.097 0.000 0.944 419 S HN 0.318 nan 8.310 nan 0.000 0.433 420 F N 2.091 122.000 119.950 -0.068 0.000 2.126 420 F HA -0.157 4.370 4.527 0.000 0.000 0.299 420 F C 2.712 178.468 175.800 -0.073 0.000 1.096 420 F CA 1.287 59.258 58.000 -0.048 0.000 1.255 420 F CB -0.609 38.377 39.000 -0.023 0.000 0.997 420 F HN 0.269 nan 8.300 nan 0.000 0.479 421 Q N -0.302 119.556 119.800 0.097 0.000 2.119 421 Q HA -0.214 4.126 4.340 0.000 0.000 0.201 421 Q C 2.164 178.123 176.000 -0.069 0.000 0.972 421 Q CA 1.416 57.224 55.803 0.008 0.000 0.847 421 Q CB -0.262 28.479 28.738 0.005 0.000 0.903 421 Q HN 0.393 nan 8.270 nan 0.000 0.433 422 K N 1.170 121.471 120.400 -0.165 0.000 2.031 422 K HA -0.116 4.204 4.320 0.000 0.000 0.205 422 K C 1.635 178.166 176.600 -0.114 0.000 1.049 422 K CA 1.073 57.248 56.287 -0.186 0.000 0.939 422 K CB 0.218 32.523 32.500 -0.324 0.000 0.717 422 K HN 0.116 nan 8.250 nan 0.000 0.438 423 Q N 0.666 120.394 119.800 -0.120 0.000 2.373 423 Q HA 0.057 4.397 4.340 0.000 0.000 0.206 423 Q C -0.494 175.458 176.000 -0.080 0.000 0.942 423 Q CA -0.054 55.685 55.803 -0.107 0.000 0.953 423 Q CB 0.172 28.818 28.738 -0.152 0.000 1.022 423 Q HN 0.321 nan 8.270 nan 0.000 0.502 424 N N -0.141 118.527 118.700 -0.054 0.000 2.708 424 N HA -0.151 4.589 4.740 0.000 0.000 0.249 424 N C -1.088 174.414 175.510 -0.012 0.000 1.097 424 N CA 0.622 53.653 53.050 -0.031 0.000 0.710 424 N CB -1.277 37.189 38.487 -0.035 0.000 1.032 424 N HN 0.055 nan 8.380 nan 0.000 0.551 425 V N 1.370 121.291 119.914 0.012 0.000 2.364 425 V HA 0.154 4.274 4.120 0.000 0.000 0.272 425 V C 1.033 177.272 176.094 0.241 0.000 1.036 425 V CA -0.459 61.894 62.300 0.088 0.000 0.880 425 V CB 1.599 33.395 31.823 -0.046 0.000 0.991 425 V HN 0.125 nan 8.190 nan 0.000 0.460 426 T N 6.679 121.303 114.554 0.118 0.000 2.923 426 T HA 0.283 4.633 4.350 0.000 0.000 0.304 426 T C -0.189 174.560 174.700 0.082 0.000 1.044 426 T CA 1.133 63.220 62.100 -0.021 0.000 1.141 426 T CB 0.002 68.730 68.868 -0.234 0.000 1.023 426 T HN 0.595 nan 8.240 nan 0.000 0.533 427 I N 2.097 122.628 120.570 -0.064 0.000 3.099 427 I HA 0.636 4.806 4.170 0.000 0.000 0.308 427 I C -1.710 174.384 176.117 -0.038 0.000 1.405 427 I CA -1.094 60.166 61.300 -0.067 0.000 0.953 427 I CB 2.063 39.883 38.000 -0.300 0.000 1.324 427 I HN 0.677 nan 8.210 nan 0.000 0.495 428 M N 4.814 124.445 119.600 0.051 0.000 2.378 428 M HA 0.376 4.856 4.480 0.000 0.000 0.289 428 M C -1.925 174.425 176.300 0.083 0.000 1.136 428 M CA -0.620 54.744 55.300 0.107 0.000 0.917 428 M CB 1.739 34.500 32.600 0.268 0.000 1.669 428 M HN 0.616 nan 8.290 nan 0.000 0.461 429 D N 3.409 123.866 120.400 0.095 0.000 2.313 429 D HA 0.081 4.721 4.640 0.000 0.000 0.247 429 D C 0.661 177.060 176.300 0.164 0.000 1.094 429 D CA -0.201 53.890 54.000 0.153 0.000 0.925 429 D CB 0.672 41.570 40.800 0.164 0.000 1.188 429 D HN 0.854 nan 8.370 nan 0.000 0.430 430 H N 1.002 120.005 119.070 -0.112 0.000 2.421 430 H HA -0.167 4.389 4.556 0.000 0.000 0.298 430 H C 1.316 176.533 175.328 -0.185 0.000 1.087 430 H CA 1.365 57.303 56.048 -0.182 0.000 1.330 430 H CB -0.850 28.744 29.762 -0.280 0.000 1.388 430 H HN 0.547 nan 8.280 nan 0.000 0.526 431 H N 0.717 119.621 119.070 -0.276 0.000 2.326 431 H HA -0.029 4.527 4.556 0.000 0.000 0.301 431 H C 1.964 177.270 175.328 -0.036 0.000 1.081 431 H CA 1.909 57.844 56.048 -0.188 0.000 1.334 431 H CB -0.338 29.284 29.762 -0.232 0.000 1.385 431 H HN 0.402 nan 8.280 nan 0.000 0.504 432 T N 1.206 115.829 114.554 0.116 0.000 2.788 432 T HA -0.074 4.276 4.350 0.000 0.000 0.268 432 T C 2.347 177.121 174.700 0.124 0.000 1.044 432 T CA 1.124 63.290 62.100 0.109 0.000 1.139 432 T CB -0.354 68.576 68.868 0.102 0.000 0.867 432 T HN 0.430 nan 8.240 nan 0.000 0.454 433 A N 1.442 124.337 122.820 0.125 0.000 1.902 433 A HA -0.077 4.243 4.320 0.000 0.000 0.217 433 A C 2.625 180.305 177.584 0.160 0.000 1.181 433 A CA 1.859 53.984 52.037 0.147 0.000 0.623 433 A CB -0.906 18.170 19.000 0.126 0.000 0.818 433 A HN 0.431 nan 8.150 nan 0.000 0.443 434 S N -0.134 115.638 115.700 0.121 0.000 2.370 434 S HA -0.185 4.285 4.470 0.000 0.000 0.226 434 S C 1.844 176.563 174.600 0.198 0.000 1.033 434 S CA 1.586 59.876 58.200 0.149 0.000 1.011 434 S CB -0.341 62.911 63.200 0.087 0.000 0.852 434 S HN 0.697 nan 8.310 nan 0.000 0.457 435 E N 1.138 121.428 120.200 0.151 0.000 2.077 435 E HA -0.121 4.229 4.350 0.000 0.000 0.193 435 E C 2.469 179.151 176.600 0.136 0.000 0.989 435 E CA 1.424 57.903 56.400 0.131 0.000 0.800 435 E CB -0.233 29.527 29.700 0.099 0.000 0.746 435 E HN 0.642 nan 8.360 nan 0.000 0.452 436 S N 0.750 116.543 115.700 0.155 0.000 2.383 436 S HA -0.167 4.303 4.470 0.000 0.000 0.227 436 S C 1.935 176.646 174.600 0.184 0.000 1.026 436 S CA 0.581 58.871 58.200 0.152 0.000 0.981 436 S CB -0.491 62.804 63.200 0.158 0.000 0.818 436 S HN 0.297 nan 8.310 nan 0.000 0.472 437 F N 2.205 122.217 119.950 0.103 0.000 2.134 437 F HA 0.049 4.576 4.527 0.000 0.000 0.299 437 F C 2.323 178.214 175.800 0.151 0.000 1.097 437 F CA 1.370 59.449 58.000 0.131 0.000 1.264 437 F CB -0.352 38.704 39.000 0.094 0.000 1.001 437 F HN 0.095 nan 8.300 nan 0.000 0.479 438 M N 0.209 119.873 119.600 0.108 0.000 2.108 438 M HA -0.215 4.265 4.480 0.000 0.000 0.261 438 M C 2.208 178.467 176.300 -0.068 0.000 1.066 438 M CA 1.627 56.933 55.300 0.010 0.000 1.107 438 M CB -1.142 31.517 32.600 0.099 0.000 1.356 438 M HN 0.097 nan 8.290 nan 0.000 0.406 439 K N -0.798 119.596 120.400 -0.011 0.000 2.097 439 K HA -0.186 4.134 4.320 0.000 0.000 0.205 439 K C 1.966 178.538 176.600 -0.046 0.000 1.050 439 K CA 1.414 57.694 56.287 -0.012 0.000 0.938 439 K CB -0.363 32.157 32.500 0.033 0.000 0.718 439 K HN 0.340 nan 8.250 nan 0.000 0.442 440 H N -0.288 118.680 119.070 -0.170 0.000 2.353 440 H HA -0.007 4.549 4.556 0.000 0.000 0.300 440 H C 1.848 177.003 175.328 -0.288 0.000 1.090 440 H CA 2.262 58.179 56.048 -0.218 0.000 1.327 440 H CB -0.024 29.574 29.762 -0.273 0.000 1.383 440 H HN 0.134 nan 8.280 nan 0.000 0.508 441 M N 0.009 119.280 119.600 -0.548 0.000 2.065 441 M HA -0.251 4.229 4.480 0.000 0.000 0.259 441 M C 2.340 178.559 176.300 -0.134 0.000 1.069 441 M CA 2.129 57.194 55.300 -0.393 0.000 1.110 441 M CB -0.171 32.261 32.600 -0.279 0.000 1.328 441 M HN 0.472 nan 8.290 nan 0.000 0.405 442 Q N -0.059 119.665 119.800 -0.128 0.000 2.061 442 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 442 Q C 1.705 177.664 176.000 -0.069 0.000 0.984 442 Q CA 1.623 57.383 55.803 -0.072 0.000 0.846 442 Q CB -0.320 28.373 28.738 -0.075 0.000 0.902 442 Q HN 0.525 nan 8.270 nan 0.000 0.421 443 N N 0.477 119.108 118.700 -0.115 0.000 2.166 443 N HA -0.176 4.564 4.740 0.000 0.000 0.186 443 N C 1.616 177.035 175.510 -0.151 0.000 1.019 443 N CA 1.177 54.168 53.050 -0.098 0.000 0.856 443 N CB -0.140 38.311 38.487 -0.060 0.000 0.993 443 N HN 0.225 nan 8.380 nan 0.000 0.426 444 E N 0.028 120.053 120.200 -0.293 0.000 2.072 444 E HA -0.065 4.285 4.350 0.000 0.000 0.191 444 E C 1.623 178.055 176.600 -0.281 0.000 0.985 444 E CA 0.904 57.084 56.400 -0.368 0.000 0.801 444 E CB -0.207 29.127 29.700 -0.611 0.000 0.750 444 E HN 0.374 nan 8.360 nan 0.000 0.452 445 Y N 0.145 120.325 120.300 -0.201 0.000 2.181 445 Y HA -0.100 4.450 4.550 0.000 0.000 0.288 445 Y C 2.509 178.338 175.900 -0.119 0.000 1.146 445 Y CA 1.715 59.731 58.100 -0.140 0.000 1.164 445 Y CB -0.092 38.286 38.460 -0.137 0.000 0.982 445 Y HN -0.032 nan 8.280 nan 0.000 0.515 446 R N -0.115 120.398 120.500 0.022 0.000 2.092 446 R HA -0.145 4.195 4.340 0.000 0.000 0.231 446 R C 2.237 178.512 176.300 -0.042 0.000 1.119 446 R CA 1.096 57.187 56.100 -0.015 0.000 0.970 446 R CB -0.296 29.989 30.300 -0.024 0.000 0.864 446 R HN 0.340 nan 8.270 nan 0.000 0.440 447 A N 1.436 124.213 122.820 -0.071 0.000 1.843 447 A HA -0.128 4.192 4.320 0.000 0.000 0.213 447 A C 1.770 179.299 177.584 -0.092 0.000 1.202 447 A CA 1.432 53.424 52.037 -0.075 0.000 0.607 447 A CB -0.134 18.817 19.000 -0.082 0.000 0.847 447 A HN 0.486 nan 8.150 nan 0.000 0.445 448 R N -2.091 118.323 120.500 -0.144 0.000 2.565 448 R HA 0.415 4.755 4.340 0.000 0.000 0.347 448 R C 0.771 176.978 176.300 -0.154 0.000 1.010 448 R CA 0.505 56.521 56.100 -0.140 0.000 1.126 448 R CB -0.290 29.916 30.300 -0.157 0.000 1.331 448 R HN 0.894 nan 8.270 nan 0.000 0.552 449 G N -0.024 108.675 108.800 -0.168 0.000 2.176 449 G HA2 -0.098 3.862 3.960 0.000 0.000 0.252 449 G HA3 -0.098 3.862 3.960 0.000 0.000 0.252 449 G C 0.217 174.904 174.900 -0.354 0.000 1.024 449 G CA 0.046 45.056 45.100 -0.150 0.000 0.755 449 G HN 0.940 nan 8.290 nan 0.000 0.507 450 G N -2.518 105.812 108.800 -0.785 0.000 2.321 450 G HA2 0.568 4.528 3.960 0.000 0.000 0.298 450 G HA3 0.568 4.528 3.960 0.000 0.000 0.298 450 G C -0.895 173.521 174.900 -0.806 0.000 1.385 450 G CA 0.327 44.772 45.100 -1.093 0.000 0.856 450 G HN 1.921 nan 8.290 nan 0.000 0.584 451 C N 2.040 121.052 119.300 -0.480 0.000 2.968 451 C HA 0.641 5.101 4.460 0.000 0.000 0.389 451 C C -2.608 172.272 174.990 -0.182 0.000 1.068 451 C CA -1.113 57.749 59.018 -0.261 0.000 1.272 451 C CB 1.064 28.669 27.740 -0.225 0.000 1.711 451 C HN 0.695 nan 8.230 nan 0.000 0.501 452 P HA 0.370 nan 4.420 nan 0.000 0.267 452 P C -0.582 176.580 177.300 -0.231 0.000 1.209 452 P CA 0.698 63.339 63.100 -0.765 0.000 0.763 452 P CB 0.943 32.119 31.700 -0.873 0.000 0.816 453 A N 2.770 125.520 122.820 -0.115 0.000 2.427 453 A HA 0.401 4.721 4.320 0.000 0.000 0.298 453 A C -0.968 176.677 177.584 0.101 0.000 1.036 453 A CA -0.544 51.542 52.037 0.081 0.000 0.701 453 A CB 1.233 20.394 19.000 0.268 0.000 1.250 453 A HN 0.437 nan 8.150 nan 0.000 0.412 454 D N 2.232 122.697 120.400 0.108 0.000 2.467 454 D HA 0.128 4.768 4.640 0.000 0.000 0.220 454 D C 0.828 177.281 176.300 0.256 0.000 1.103 454 D CA -0.518 53.596 54.000 0.189 0.000 0.886 454 D CB 0.317 41.202 40.800 0.142 0.000 1.025 454 D HN 0.624 nan 8.370 nan 0.000 0.514 455 W N 4.463 125.817 121.300 0.091 0.000 2.304 455 W HA -0.234 4.426 4.660 0.000 0.000 0.315 455 W C 1.719 178.285 176.519 0.079 0.000 1.233 455 W CA 1.267 58.649 57.345 0.062 0.000 1.261 455 W CB -0.073 29.404 29.460 0.027 0.000 1.150 455 W HN 0.462 nan 8.180 nan 0.000 0.494 456 I N -0.979 119.930 120.570 0.566 0.000 2.423 456 I HA -0.294 3.876 4.170 0.000 0.000 0.254 456 I C 1.670 177.932 176.117 0.241 0.000 1.151 456 I CA 1.336 62.902 61.300 0.443 0.000 1.421 456 I CB -0.594 37.667 38.000 0.435 0.000 1.079 456 I HN 0.140 nan 8.210 nan 0.000 0.431 457 W N -0.008 121.300 121.300 0.013 0.000 2.683 457 W HA 0.170 4.830 4.660 0.000 0.000 0.267 457 W C 2.182 178.614 176.519 -0.145 0.000 1.243 457 W CA 0.105 57.425 57.345 -0.043 0.000 1.380 457 W CB -0.245 29.213 29.460 -0.003 0.000 1.063 457 W HN -0.088 nan 8.180 nan 0.000 0.599 458 L N -0.091 121.122 121.223 -0.017 0.000 2.217 458 L HA -0.015 4.325 4.340 0.000 0.000 0.211 458 L C 0.545 177.227 176.870 -0.312 0.000 1.107 458 L CA 0.421 55.122 54.840 -0.232 0.000 0.783 458 L CB -0.811 41.030 42.059 -0.364 0.000 0.919 458 L HN -0.395 nan 8.230 nan 0.000 0.442 459 V N 1.253 120.912 119.914 -0.426 0.000 2.432 459 V HA 0.169 4.289 4.120 0.000 0.000 0.271 459 V C -1.864 174.063 176.094 -0.279 0.000 1.046 459 V CA -1.474 60.550 62.300 -0.460 0.000 0.945 459 V CB 0.550 31.846 31.823 -0.879 0.000 0.992 459 V HN 0.022 nan 8.190 nan 0.000 0.471 460 P HA 0.032 nan 4.420 nan 0.000 0.266 460 P C -1.715 175.491 177.300 -0.157 0.000 1.186 460 P CA -0.741 62.267 63.100 -0.154 0.000 0.767 460 P CB 0.096 31.761 31.700 -0.060 0.000 0.820 461 P HA -0.060 nan 4.420 nan 0.000 0.234 461 P C -0.067 177.154 177.300 -0.131 0.000 1.167 461 P CA 1.031 64.031 63.100 -0.166 0.000 0.763 461 P CB 0.114 31.694 31.700 -0.200 0.000 0.835 462 V N -6.727 113.110 119.914 -0.129 0.000 3.159 462 V HA 0.577 4.697 4.120 0.000 0.000 0.308 462 V C 0.386 176.484 176.094 0.008 0.000 1.190 462 V CA -0.925 61.332 62.300 -0.072 0.000 1.037 462 V CB 1.289 33.056 31.823 -0.094 0.000 1.060 462 V HN -0.144 nan 8.190 nan 0.000 0.437 463 S N 0.544 116.263 115.700 0.031 0.000 3.635 463 S HA -0.189 4.281 4.470 0.000 0.000 0.328 463 S C 1.541 176.132 174.600 -0.015 0.000 1.135 463 S CA 1.331 59.562 58.200 0.051 0.000 0.942 463 S CB -1.555 61.732 63.200 0.145 0.000 0.930 463 S HN 2.112 nan 8.310 nan 0.000 0.512 464 G N 2.426 111.196 108.800 -0.050 0.000 2.812 464 G HA2 -0.372 3.588 3.960 0.000 0.000 0.218 464 G HA3 -0.372 3.588 3.960 0.000 0.000 0.218 464 G C 1.458 176.170 174.900 -0.313 0.000 1.287 464 G CA 1.859 46.917 45.100 -0.071 0.000 0.796 464 G HN 1.313 nan 8.290 nan 0.000 0.649 465 S N 0.293 115.501 115.700 -0.821 0.000 2.474 465 S HA 0.028 4.498 4.470 0.000 0.000 0.235 465 S C 2.082 176.623 174.600 -0.098 0.000 0.997 465 S CA 0.859 58.513 58.200 -0.911 0.000 0.949 465 S CB -0.061 62.535 63.200 -1.008 0.000 0.766 465 S HN 0.220 nan 8.310 nan 0.000 0.517 466 I N 2.113 122.649 120.570 -0.056 0.000 3.001 466 I HA 0.039 4.209 4.170 0.000 0.000 0.268 466 I C 0.793 176.989 176.117 0.132 0.000 1.267 466 I CA 0.564 61.900 61.300 0.061 0.000 1.472 466 I CB -1.954 36.099 38.000 0.088 0.000 1.089 466 I HN 0.244 nan 8.210 nan 0.000 0.468 467 T N 2.564 117.188 114.554 0.117 0.000 2.882 467 T HA 0.216 4.566 4.350 0.000 0.000 0.287 467 T C -1.479 173.377 174.700 0.260 0.000 0.992 467 T CA -0.999 61.188 62.100 0.144 0.000 1.076 467 T CB 2.165 71.066 68.868 0.054 0.000 0.961 467 T HN -0.065 nan 8.240 nan 0.000 0.490 468 P HA -0.075 nan 4.420 nan 0.000 0.219 468 P C 1.704 179.201 177.300 0.329 0.000 1.150 468 P CA 0.494 63.771 63.100 0.295 0.000 0.814 468 P CB -0.131 31.684 31.700 0.192 0.000 0.787 469 V N -3.623 116.433 119.914 0.237 0.000 2.626 469 V HA -0.203 3.917 4.120 0.000 0.000 0.252 469 V C 2.056 178.249 176.094 0.164 0.000 1.067 469 V CA 1.306 63.720 62.300 0.189 0.000 1.081 469 V CB -1.976 29.884 31.823 0.062 0.000 0.686 469 V HN -0.050 nan 8.190 nan 0.000 0.468 470 F N 2.471 122.409 119.950 -0.021 0.000 2.171 470 F HA -0.100 4.427 4.527 0.000 0.000 0.300 470 F C 2.075 177.992 175.800 0.195 0.000 1.090 470 F CA 2.258 60.258 58.000 -0.001 0.000 1.293 470 F CB -0.372 38.521 39.000 -0.180 0.000 1.013 470 F HN 0.334 nan 8.300 nan 0.000 0.486 471 H N -1.490 117.941 119.070 0.602 0.000 2.533 471 H HA 0.161 4.717 4.556 0.000 0.000 0.271 471 H C 0.144 175.718 175.328 0.410 0.000 1.000 471 H CA 0.119 56.473 56.048 0.510 0.000 1.149 471 H CB -0.130 29.890 29.762 0.430 0.000 1.375 471 H HN 0.133 nan 8.280 nan 0.000 0.582 472 Q N 1.880 121.943 119.800 0.438 0.000 2.372 472 Q HA 0.164 4.504 4.340 0.000 0.000 0.259 472 Q C -0.777 175.424 176.000 0.336 0.000 0.993 472 Q CA -0.478 55.519 55.803 0.323 0.000 0.854 472 Q CB 0.592 29.493 28.738 0.272 0.000 1.231 472 Q HN 0.340 nan 8.270 nan 0.000 0.462 473 E N 4.013 124.358 120.200 0.241 0.000 2.392 473 E HA 0.335 4.685 4.350 0.000 0.000 0.264 473 E C -0.303 176.405 176.600 0.180 0.000 1.024 473 E CA 0.201 56.714 56.400 0.188 0.000 0.903 473 E CB 0.649 30.442 29.700 0.154 0.000 0.963 473 E HN 0.669 nan 8.360 nan 0.000 0.432 474 M N 0.735 120.450 119.600 0.193 0.000 2.569 474 M HA 0.476 4.956 4.480 0.000 0.000 0.279 474 M C -1.589 174.816 176.300 0.176 0.000 1.253 474 M CA -1.215 54.215 55.300 0.217 0.000 0.867 474 M CB 1.185 33.962 32.600 0.296 0.000 1.727 474 M HN 0.162 nan 8.290 nan 0.000 0.467 475 L N 2.264 123.606 121.223 0.198 0.000 2.317 475 L HA 0.573 4.913 4.340 0.000 0.000 0.281 475 L C -0.774 176.166 176.870 0.117 0.000 1.024 475 L CA 0.025 54.980 54.840 0.193 0.000 0.810 475 L CB 1.614 43.835 42.059 0.271 0.000 1.240 475 L HN 0.774 nan 8.230 nan 0.000 0.427 476 N N 2.907 121.643 118.700 0.060 0.000 2.417 476 N HA 0.556 5.296 4.740 0.000 0.000 0.274 476 N C -1.672 173.580 175.510 -0.430 0.000 0.987 476 N CA -0.250 52.705 53.050 -0.158 0.000 0.912 476 N CB 0.724 39.240 38.487 0.048 0.000 1.177 476 N HN 0.392 nan 8.380 nan 0.000 0.490 477 Y N -0.112 119.877 120.300 -0.519 0.000 2.609 477 Y HA 0.585 5.135 4.550 0.000 0.000 0.336 477 Y C -1.170 174.450 175.900 -0.466 0.000 1.129 477 Y CA -1.339 56.335 58.100 -0.710 0.000 1.040 477 Y CB 0.566 38.802 38.460 -0.374 0.000 1.310 477 Y HN -0.003 nan 8.280 nan 0.000 0.460 478 V N 4.233 123.945 119.914 -0.336 0.000 2.364 478 V HA 0.372 4.492 4.120 0.000 0.000 0.272 478 V C 0.161 176.113 176.094 -0.236 0.000 1.036 478 V CA -0.329 61.696 62.300 -0.458 0.000 0.880 478 V CB 0.486 31.943 31.823 -0.610 0.000 0.991 478 V HN 0.739 nan 8.190 nan 0.000 0.460 479 L N 3.085 124.225 121.223 -0.138 0.000 2.693 479 L HA 0.744 5.084 4.340 0.000 0.000 0.253 479 L C 0.240 177.096 176.870 -0.024 0.000 1.155 479 L CA -0.522 54.309 54.840 -0.015 0.000 1.026 479 L CB 1.602 43.691 42.059 0.050 0.000 1.817 479 L HN 0.607 nan 8.230 nan 0.000 0.556 480 S N 0.070 115.780 115.700 0.017 0.000 2.572 480 S HA 0.521 4.991 4.470 0.000 0.000 0.274 480 S C -2.766 171.863 174.600 0.048 0.000 1.150 480 S CA -1.148 57.070 58.200 0.031 0.000 0.944 480 S CB 1.825 65.026 63.200 0.000 0.000 1.071 480 S HN 0.237 nan 8.310 nan 0.000 0.479 481 P HA 0.376 nan 4.420 nan 0.000 0.270 481 P C -1.069 176.188 177.300 -0.071 0.000 1.223 481 P CA -0.165 62.900 63.100 -0.060 0.000 0.785 481 P CB 0.258 31.865 31.700 -0.155 0.000 0.923 482 F N 0.346 120.095 119.950 -0.336 0.000 2.645 482 F HA 0.432 4.959 4.527 0.000 0.000 0.310 482 F C -1.424 174.060 175.800 -0.526 0.000 1.102 482 F CA -0.877 56.837 58.000 -0.478 0.000 0.952 482 F CB 1.442 40.141 39.000 -0.502 0.000 1.326 482 F HN 0.112 nan 8.300 nan 0.000 0.456 483 Y N 3.628 123.403 120.300 -0.875 0.000 2.369 483 Y HA 0.442 4.992 4.550 0.000 0.000 0.337 483 Y C -0.997 174.619 175.900 -0.473 0.000 0.961 483 Y CA -0.956 56.843 58.100 -0.501 0.000 1.186 483 Y CB 0.356 38.507 38.460 -0.515 0.000 1.139 483 Y HN 0.356 nan 8.280 nan 0.000 0.494 484 Y N 1.308 121.706 120.300 0.164 0.000 2.488 484 Y HA 0.400 4.950 4.550 0.000 0.000 0.325 484 Y C -0.194 175.753 175.900 0.077 0.000 1.204 484 Y CA -0.949 57.231 58.100 0.134 0.000 1.229 484 Y CB 0.846 39.418 38.460 0.188 0.000 1.274 484 Y HN 0.405 nan 8.280 nan 0.000 0.493 485 Y N 0.516 120.991 120.300 0.292 0.000 2.289 485 Y HA 0.387 4.937 4.550 0.000 0.000 0.332 485 Y C -0.021 175.940 175.900 0.101 0.000 1.324 485 Y CA -1.237 56.943 58.100 0.133 0.000 1.478 485 Y CB 0.597 39.103 38.460 0.078 0.000 1.378 485 Y HN 0.431 nan 8.280 nan 0.000 0.558 486 Q N 0.236 120.154 119.800 0.196 0.000 2.456 486 Q HA 0.490 4.830 4.340 0.000 0.000 0.284 486 Q C -1.329 174.626 176.000 -0.075 0.000 1.061 486 Q CA -0.993 54.836 55.803 0.043 0.000 0.799 486 Q CB 2.839 31.579 28.738 0.003 0.000 1.445 486 Q HN 0.494 nan 8.270 nan 0.000 0.411 487 I N 1.647 122.142 120.570 -0.125 0.000 2.588 487 I HA -0.004 4.166 4.170 0.000 0.000 0.283 487 I C 0.335 176.221 176.117 -0.385 0.000 1.119 487 I CA 0.145 61.317 61.300 -0.214 0.000 1.419 487 I CB 0.364 38.257 38.000 -0.178 0.000 1.394 487 I HN 0.443 nan 8.210 nan 0.000 0.562 488 E N 8.720 128.588 120.200 -0.552 0.000 2.585 488 E HA -0.066 4.284 4.350 0.000 0.000 0.252 488 E C -1.318 174.597 176.600 -1.142 0.000 0.981 488 E CA -0.957 54.817 56.400 -1.042 0.000 0.943 488 E CB 0.305 29.177 29.700 -1.380 0.000 0.923 488 E HN 0.433 nan 8.360 nan 0.000 0.486 489 P HA -0.223 nan 4.420 nan 0.000 0.216 489 P C 0.962 177.697 177.300 -0.943 0.000 1.154 489 P CA 1.674 64.134 63.100 -1.066 0.000 0.865 489 P CB -0.217 30.559 31.700 -1.540 0.000 0.789 490 W N 1.023 121.799 121.300 -0.874 0.000 2.468 490 W HA 0.062 4.722 4.660 0.000 0.000 0.262 490 W C 1.679 178.204 176.519 0.011 0.000 1.241 490 W CA 0.557 57.743 57.345 -0.265 0.000 1.232 490 W CB -1.458 28.036 29.460 0.056 0.000 1.124 490 W HN -0.067 nan 8.180 nan 0.000 0.597 491 K N 0.279 120.510 120.400 -0.283 0.000 2.305 491 K HA 0.029 4.349 4.320 0.000 0.000 0.199 491 K C 1.711 178.284 176.600 -0.045 0.000 1.047 491 K CA 1.595 57.818 56.287 -0.107 0.000 0.976 491 K CB -0.116 32.246 32.500 -0.231 0.000 0.765 491 K HN 0.328 nan 8.250 nan 0.000 0.474 492 T N -3.198 111.302 114.554 -0.090 0.000 3.003 492 T HA 0.054 4.404 4.350 0.000 0.000 0.261 492 T C 0.338 175.052 174.700 0.022 0.000 1.003 492 T CA -0.408 61.668 62.100 -0.039 0.000 0.917 492 T CB -0.181 68.633 68.868 -0.089 0.000 1.084 492 T HN 0.044 nan 8.240 nan 0.000 0.522 493 H N 1.850 120.886 119.070 -0.056 0.000 2.871 493 H HA 0.403 4.959 4.556 0.000 0.000 0.355 493 H C -0.118 175.162 175.328 -0.080 0.000 1.092 493 H CA -0.802 55.199 56.048 -0.079 0.000 1.420 493 H CB 0.211 29.936 29.762 -0.061 0.000 1.400 493 H HN 0.341 nan 8.280 nan 0.000 0.604 494 I N 4.501 124.503 120.570 -0.947 0.000 2.304 494 I HA 0.089 4.259 4.170 0.000 0.000 0.291 494 I C -0.592 174.996 176.117 -0.882 0.000 1.018 494 I CA -0.393 60.531 61.300 -0.628 0.000 1.260 494 I CB 0.581 38.340 38.000 -0.401 0.000 1.390 494 I HN 0.451 nan 8.210 nan 0.000 0.475 495 W N 7.148 128.289 121.300 -0.266 0.000 2.367 495 W HA 0.306 4.966 4.660 0.000 0.000 0.329 495 W C 0.567 177.046 176.519 -0.066 0.000 1.066 495 W CA -0.465 56.816 57.345 -0.105 0.000 1.435 495 W CB 0.653 30.125 29.460 0.020 0.000 1.296 495 W HN 0.500 nan 8.180 nan 0.000 0.401 496 Q N 0.000 119.866 119.800 0.110 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.848 55.803 0.074 0.000 1.022 496 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481