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 2nod_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDXXXXX XSCLGSIMNP 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 0.000 176.212 176.000 0.354 0.000 1.003 77 Q CA 0.000 55.851 55.803 0.080 0.000 1.022 77 Q CB 0.000 28.673 28.738 -0.108 0.000 1.108 78 Y N -1.498 118.946 120.300 0.241 0.000 2.677 78 Y HA 0.702 5.252 4.550 -0.000 0.000 0.334 78 Y C -1.598 174.354 175.900 0.086 0.000 1.196 78 Y CA -1.310 56.950 58.100 0.268 0.000 1.059 78 Y CB 0.863 39.428 38.460 0.174 0.000 1.315 78 Y HN -0.180 nan 8.280 nan 0.000 0.455 79 V N 3.132 123.228 119.914 0.303 0.000 2.435 79 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 79 V C 0.048 176.281 176.094 0.232 0.000 1.030 79 V CA -0.892 61.466 62.300 0.096 0.000 0.881 79 V CB 1.418 33.093 31.823 -0.247 0.000 0.983 79 V HN 0.824 nan 8.190 nan 0.000 0.445 80 R N 3.889 124.528 120.500 0.232 0.000 2.390 80 R HA 0.615 4.955 4.340 -0.000 0.000 0.291 80 R C -1.133 175.211 176.300 0.074 0.000 1.070 80 R CA -0.258 55.981 56.100 0.231 0.000 1.014 80 R CB 0.605 31.038 30.300 0.222 0.000 1.007 80 R HN 0.692 nan 8.270 nan 0.000 0.466 81 I N 4.051 124.631 120.570 0.016 0.000 2.499 81 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 81 I C -0.631 175.418 176.117 -0.113 0.000 1.048 81 I CA -0.662 60.615 61.300 -0.038 0.000 1.062 81 I CB 2.060 40.036 38.000 -0.040 0.000 1.238 81 I HN 0.524 nan 8.210 nan 0.000 0.426 82 K N 5.946 126.238 120.400 -0.180 0.000 2.259 82 K HA 0.359 4.679 4.320 -0.000 0.000 0.249 82 K C -0.810 175.561 176.600 -0.381 0.000 0.942 82 K CA -0.690 55.380 56.287 -0.362 0.000 0.816 82 K CB 1.658 33.767 32.500 -0.652 0.000 1.155 82 K HN 0.553 nan 8.250 nan 0.000 0.428 83 N N 4.065 122.573 118.700 -0.320 0.000 2.485 83 N HA 0.074 4.814 4.740 -0.000 0.000 0.243 83 N C -0.254 175.148 175.510 -0.179 0.000 0.987 83 N CA -0.363 52.588 53.050 -0.166 0.000 0.940 83 N CB 0.426 38.866 38.487 -0.077 0.000 1.122 83 N HN 0.652 nan 8.380 nan 0.000 0.509 84 W N 2.641 123.957 121.300 0.027 0.000 2.848 84 W HA 0.125 4.785 4.660 -0.000 0.000 0.241 84 W C 1.914 178.449 176.519 0.028 0.000 1.289 84 W CA -0.033 57.332 57.345 0.034 0.000 1.396 84 W CB 0.248 29.734 29.460 0.042 0.000 1.138 84 W HN 0.635 nan 8.180 nan 0.000 0.677 85 G N -0.340 108.561 108.800 0.169 0.000 2.524 85 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.210 85 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.210 85 G C 1.510 176.454 174.900 0.074 0.000 1.187 85 G CA 0.887 46.057 45.100 0.115 0.000 0.825 85 G HN 0.230 nan 8.290 nan 0.000 0.558 86 S N -0.472 115.249 115.700 0.034 0.000 2.548 86 S HA 0.357 4.827 4.470 -0.000 0.000 0.215 86 S C 1.934 176.529 174.600 -0.009 0.000 0.976 86 S CA 1.060 59.268 58.200 0.014 0.000 0.908 86 S CB 0.177 63.376 63.200 -0.002 0.000 0.781 86 S HN 1.569 nan 8.310 nan 0.000 0.519 87 G N 1.339 110.119 108.800 -0.033 0.000 2.189 87 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.267 87 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.267 87 G C -0.096 174.723 174.900 -0.135 0.000 0.975 87 G CA 0.483 45.530 45.100 -0.089 0.000 0.644 87 G HN 0.770 nan 8.290 nan 0.000 0.537 88 E N 0.716 120.848 120.200 -0.113 0.000 2.415 88 E HA 0.399 4.749 4.350 -0.000 0.000 0.262 88 E C 0.962 177.460 176.600 -0.171 0.000 1.038 88 E CA -0.222 56.106 56.400 -0.119 0.000 0.921 88 E CB 0.168 29.814 29.700 -0.091 0.000 0.950 88 E HN 0.621 nan 8.360 nan 0.000 0.438 89 I N 2.238 122.704 120.570 -0.173 0.000 2.474 89 I HA 0.473 4.643 4.170 -0.000 0.000 0.294 89 I C -0.790 175.150 176.117 -0.296 0.000 1.005 89 I CA -1.045 60.130 61.300 -0.208 0.000 1.113 89 I CB 1.183 39.089 38.000 -0.156 0.000 1.289 89 I HN 0.367 nan 8.210 nan 0.000 0.436 90 L N 4.673 125.718 121.223 -0.296 0.000 2.354 90 L HA 0.532 4.872 4.340 -0.000 0.000 0.264 90 L C -0.976 175.690 176.870 -0.341 0.000 1.008 90 L CA -0.624 53.997 54.840 -0.364 0.000 0.819 90 L CB 2.492 44.433 42.059 -0.195 0.000 1.339 90 L HN 0.633 nan 8.230 nan 0.000 0.420 91 H N 0.358 119.289 119.070 -0.231 0.000 2.551 91 H HA 0.202 4.758 4.556 -0.000 0.000 0.321 91 H C -1.074 174.107 175.328 -0.246 0.000 1.028 91 H CA -0.766 55.040 56.048 -0.404 0.000 1.215 91 H CB 1.781 30.946 29.762 -0.995 0.000 1.414 91 H HN 0.399 nan 8.280 nan 0.000 0.480 92 D N 2.591 122.993 120.400 0.003 0.000 2.317 92 D HA 0.042 4.682 4.640 -0.000 0.000 0.252 92 D C 0.268 176.694 176.300 0.210 0.000 1.174 92 D CA 0.129 54.158 54.000 0.049 0.000 0.866 92 D CB 1.463 42.251 40.800 -0.020 0.000 1.127 92 D HN 0.584 nan 8.370 nan 0.000 0.467 93 T N 3.945 118.600 114.554 0.169 0.000 3.038 93 T HA 0.052 4.402 4.350 -0.000 0.000 0.244 93 T C 2.052 176.777 174.700 0.043 0.000 1.016 93 T CA -0.173 62.023 62.100 0.161 0.000 1.098 93 T CB 0.162 69.103 68.868 0.121 0.000 0.954 93 T HN 0.359 nan 8.240 nan 0.000 0.469 94 L N 1.737 123.003 121.223 0.072 0.000 2.081 94 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 94 L C 2.553 179.410 176.870 -0.021 0.000 1.080 94 L CA 2.080 56.938 54.840 0.030 0.000 0.754 94 L CB -0.542 41.544 42.059 0.045 0.000 0.893 94 L HN 0.625 nan 8.230 nan 0.000 0.433 95 H N -2.805 116.194 119.070 -0.118 0.000 2.496 95 H HA -0.250 4.306 4.556 -0.000 0.000 0.296 95 H C 1.852 177.120 175.328 -0.099 0.000 1.107 95 H CA 1.891 57.863 56.048 -0.128 0.000 1.263 95 H CB -0.725 28.938 29.762 -0.165 0.000 1.369 95 H HN 0.488 nan 8.280 nan 0.000 0.541 96 H N 0.815 119.628 119.070 -0.430 0.000 2.457 96 H HA 0.043 4.599 4.556 -0.000 0.000 0.294 96 H C 1.219 176.482 175.328 -0.109 0.000 1.064 96 H CA 0.959 56.836 56.048 -0.285 0.000 1.330 96 H CB 0.227 29.816 29.762 -0.289 0.000 1.395 96 H HN 0.422 nan 8.280 nan 0.000 0.541 97 K N 0.979 121.399 120.400 0.033 0.000 2.476 97 K HA 0.229 4.549 4.320 -0.000 0.000 0.196 97 K C 0.613 177.229 176.600 0.026 0.000 1.025 97 K CA -0.167 56.138 56.287 0.030 0.000 1.138 97 K CB 0.628 33.142 32.500 0.025 0.000 0.860 97 K HN 0.171 nan 8.250 nan 0.000 0.515 98 A N 1.140 123.978 122.820 0.030 0.000 2.387 98 A HA 0.107 4.427 4.320 -0.000 0.000 0.251 98 A C 0.405 178.006 177.584 0.028 0.000 1.113 98 A CA 0.116 52.173 52.037 0.034 0.000 0.794 98 A CB 0.212 19.240 19.000 0.047 0.000 1.069 98 A HN 0.154 nan 8.150 nan 0.000 0.506 99 T N 0.521 115.090 114.554 0.025 0.000 2.918 99 T HA 0.312 4.662 4.350 -0.000 0.000 0.283 99 T C 1.039 175.751 174.700 0.020 0.000 1.001 99 T CA -0.013 62.099 62.100 0.020 0.000 1.041 99 T CB 1.059 69.936 68.868 0.015 0.000 1.028 99 T HN 0.523 nan 8.240 nan 0.000 0.511 100 S N 1.733 117.443 115.700 0.016 0.000 3.009 100 S HA 0.192 4.662 4.470 -0.000 0.000 0.243 100 S C 0.942 175.550 174.600 0.013 0.000 1.012 100 S CA -0.130 58.078 58.200 0.014 0.000 1.113 100 S CB -1.269 61.937 63.200 0.011 0.000 0.827 100 S HN 0.875 nan 8.310 nan 0.000 0.495 109 C N 3.360 122.668 119.300 0.012 0.000 2.648 109 C HA 0.288 4.748 4.460 -0.000 0.000 0.415 109 C C 1.589 176.589 174.990 0.016 0.000 1.366 109 C CA -0.279 58.747 59.018 0.014 0.000 1.756 109 C CB -0.567 27.179 27.740 0.010 0.000 2.549 109 C HN 0.746 nan 8.230 nan 0.000 0.597 110 L N 5.521 126.756 121.223 0.020 0.000 2.611 110 L HA 0.146 4.486 4.340 -0.000 0.000 0.229 110 L C 2.299 179.195 176.870 0.043 0.000 1.137 110 L CA 0.941 55.795 54.840 0.023 0.000 0.901 110 L CB -1.579 40.489 42.059 0.015 0.000 1.098 110 L HN 1.077 nan 8.230 nan 0.000 0.456 111 G N -0.027 108.803 108.800 0.050 0.000 2.503 111 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.221 111 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.221 111 G C 1.762 176.731 174.900 0.115 0.000 1.131 111 G CA 1.318 46.465 45.100 0.077 0.000 0.756 111 G HN 0.429 nan 8.290 nan 0.000 0.572 112 S N -0.352 115.412 115.700 0.107 0.000 2.447 112 S HA 0.069 4.539 4.470 -0.000 0.000 0.233 112 S C 1.148 175.849 174.600 0.169 0.000 1.006 112 S CA -0.246 58.037 58.200 0.139 0.000 0.957 112 S CB -0.286 62.978 63.200 0.106 0.000 0.773 112 S HN 0.108 nan 8.310 nan 0.000 0.507 113 I N 2.913 123.563 120.570 0.133 0.000 2.598 113 I HA 0.050 4.220 4.170 -0.000 0.000 0.284 113 I C 1.572 177.780 176.117 0.151 0.000 1.140 113 I CA 0.240 61.629 61.300 0.148 0.000 1.420 113 I CB 0.235 38.287 38.000 0.086 0.000 1.387 113 I HN 0.355 nan 8.210 nan 0.000 0.553 114 M N 4.707 124.444 119.600 0.229 0.000 2.062 114 M HA -0.109 4.371 4.480 -0.000 0.000 0.259 114 M C 0.449 176.674 176.300 -0.124 0.000 1.076 114 M CA 1.629 57.002 55.300 0.120 0.000 1.122 114 M CB -0.259 32.374 32.600 0.055 0.000 1.312 114 M HN 0.510 nan 8.290 nan 0.000 0.412 115 N N 1.534 120.183 118.700 -0.085 0.000 3.194 115 N HA 0.302 5.042 4.740 -0.000 0.000 0.271 115 N C -2.370 173.056 175.510 -0.140 0.000 1.308 115 N CA -0.787 52.090 53.050 -0.288 0.000 1.042 115 N CB 0.335 38.720 38.487 -0.169 0.000 1.310 115 N HN 0.297 nan 8.380 nan 0.000 0.502 116 P HA 0.216 nan 4.420 nan 0.000 0.277 116 P C 0.595 177.873 177.300 -0.037 0.000 1.240 116 P CA -0.366 62.704 63.100 -0.049 0.000 0.798 116 P CB 2.025 33.705 31.700 -0.033 0.000 0.979 117 K N 0.601 120.998 120.400 -0.006 0.000 2.152 117 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 117 K C 1.890 178.513 176.600 0.039 0.000 1.048 117 K CA 1.923 58.217 56.287 0.012 0.000 0.933 117 K CB -0.319 32.186 32.500 0.007 0.000 0.721 117 K HN 0.555 nan 8.250 nan 0.000 0.447 118 S N 0.234 115.953 115.700 0.031 0.000 2.547 118 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 118 S C 1.387 176.042 174.600 0.091 0.000 0.980 118 S CA 0.656 58.885 58.200 0.049 0.000 0.941 118 S CB 0.073 63.284 63.200 0.019 0.000 0.763 118 S HN 0.099 nan 8.310 nan 0.000 0.532 119 L N 0.837 122.125 121.223 0.107 0.000 2.858 119 L HA 0.426 4.766 4.340 -0.000 0.000 0.251 119 L C 0.171 177.281 176.870 0.400 0.000 1.149 119 L CA 0.503 55.459 54.840 0.192 0.000 0.955 119 L CB 0.615 42.718 42.059 0.073 0.000 1.289 119 L HN 0.165 nan 8.230 nan 0.000 0.542 120 T N -0.507 114.230 114.554 0.305 0.000 2.925 120 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 120 T C -0.473 174.348 174.700 0.202 0.000 1.021 120 T CA -0.445 61.824 62.100 0.282 0.000 1.042 120 T CB 2.172 71.109 68.868 0.116 0.000 1.037 120 T HN -0.141 nan 8.240 nan 0.000 0.481 121 R N 1.210 121.781 120.500 0.119 0.000 2.545 121 R HA 0.529 4.869 4.340 -0.000 0.000 0.289 121 R C 0.341 176.627 176.300 -0.023 0.000 1.327 121 R CA -0.359 55.697 56.100 -0.072 0.000 1.040 121 R CB 0.207 30.353 30.300 -0.257 0.000 1.176 121 R HN 0.837 nan 8.270 nan 0.000 0.518 122 G N 3.093 111.875 108.800 -0.031 0.000 2.583 122 G HA2 0.267 4.227 3.960 -0.000 0.000 0.275 122 G HA3 0.267 4.227 3.960 -0.000 0.000 0.275 122 G C -1.829 173.053 174.900 -0.030 0.000 1.342 122 G CA -0.851 44.232 45.100 -0.027 0.000 1.030 122 G HN 0.467 nan 8.290 nan 0.000 0.520 123 P HA 0.344 nan 4.420 nan 0.000 0.291 123 P C 0.081 177.368 177.300 -0.021 0.000 1.287 123 P CA -0.204 62.886 63.100 -0.017 0.000 0.767 123 P CB 0.437 32.128 31.700 -0.014 0.000 1.290 124 R N -1.838 118.651 120.500 -0.018 0.000 2.826 124 R HA 0.299 4.639 4.340 -0.000 0.000 0.269 124 R C -0.822 175.461 176.300 -0.028 0.000 1.031 124 R CA -0.512 55.573 56.100 -0.025 0.000 0.900 124 R CB 0.913 31.196 30.300 -0.029 0.000 1.318 124 R HN 0.291 nan 8.270 nan 0.000 0.447 125 D N -0.612 119.767 120.400 -0.035 0.000 2.204 125 D HA 0.195 4.835 4.640 -0.000 0.000 0.337 125 D C -0.909 175.361 176.300 -0.051 0.000 1.054 125 D CA 0.546 54.520 54.000 -0.043 0.000 0.869 125 D CB 1.026 41.807 40.800 -0.031 0.000 1.548 125 D HN 0.162 nan 8.370 nan 0.000 0.530 126 K N 0.512 120.887 120.400 -0.042 0.000 2.443 126 K HA 0.564 4.884 4.320 -0.000 0.000 0.251 126 K C -2.702 173.877 176.600 -0.035 0.000 0.972 126 K CA -1.727 54.537 56.287 -0.038 0.000 0.833 126 K CB 2.604 35.088 32.500 -0.027 0.000 1.317 126 K HN -0.236 nan 8.250 nan 0.000 0.441 127 P HA 0.038 nan 4.420 nan 0.000 0.282 127 P C -0.696 176.596 177.300 -0.013 0.000 1.286 127 P CA -0.303 62.784 63.100 -0.022 0.000 0.777 127 P CB 0.323 32.015 31.700 -0.013 0.000 1.184 128 T N 1.812 116.364 114.554 -0.003 0.000 2.737 128 T HA 0.251 4.601 4.350 -0.000 0.000 0.296 128 T C -2.228 172.478 174.700 0.011 0.000 0.922 128 T CA -0.939 61.166 62.100 0.009 0.000 1.079 128 T CB -0.422 68.464 68.868 0.029 0.000 0.892 128 T HN 0.241 nan 8.240 nan 0.000 0.514 129 P HA 0.015 nan 4.420 nan 0.000 0.260 129 P C 1.235 178.530 177.300 -0.007 0.000 1.172 129 P CA -0.232 62.865 63.100 -0.004 0.000 0.760 129 P CB 0.379 32.073 31.700 -0.010 0.000 0.773 130 L N 3.812 125.031 121.223 -0.008 0.000 2.064 130 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 130 L C 2.304 179.153 176.870 -0.034 0.000 1.077 130 L CA 2.243 57.075 54.840 -0.013 0.000 0.766 130 L CB -1.290 40.760 42.059 -0.014 0.000 0.890 130 L HN 0.560 nan 8.230 nan 0.000 0.435 131 E N 0.157 120.332 120.200 -0.041 0.000 2.204 131 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 131 E C 1.574 178.113 176.600 -0.102 0.000 0.990 131 E CA 1.315 57.679 56.400 -0.060 0.000 0.821 131 E CB -0.220 29.451 29.700 -0.048 0.000 0.750 131 E HN 0.635 nan 8.360 nan 0.000 0.477 132 E N 0.898 121.035 120.200 -0.104 0.000 2.057 132 E HA 0.067 4.417 4.350 -0.000 0.000 0.190 132 E C 2.413 178.873 176.600 -0.233 0.000 0.969 132 E CA 0.267 56.548 56.400 -0.198 0.000 0.812 132 E CB -0.173 29.483 29.700 -0.074 0.000 0.777 132 E HN 0.123 nan 8.360 nan 0.000 0.455 133 L N 1.303 122.501 121.223 -0.041 0.000 2.043 133 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 133 L C 2.460 179.340 176.870 0.015 0.000 1.075 133 L CA 0.841 55.715 54.840 0.055 0.000 0.752 133 L CB -0.134 41.968 42.059 0.071 0.000 0.891 133 L HN 0.172 nan 8.230 nan 0.000 0.432 134 L N 0.256 121.449 121.223 -0.050 0.000 1.970 134 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 134 L C -0.456 176.382 176.870 -0.053 0.000 1.071 134 L CA 2.197 56.997 54.840 -0.066 0.000 0.751 134 L CB -1.814 40.204 42.059 -0.067 0.000 0.889 134 L HN 0.097 nan 8.230 nan 0.000 0.432 135 P HA -0.160 nan 4.420 nan 0.000 0.215 135 P C 1.327 178.662 177.300 0.058 0.000 1.157 135 P CA 1.575 64.642 63.100 -0.056 0.000 0.868 135 P CB -0.210 31.409 31.700 -0.136 0.000 0.788 136 H N -0.445 118.669 119.070 0.072 0.000 2.319 136 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 136 H C 1.993 177.429 175.328 0.181 0.000 1.092 136 H CA 1.606 57.725 56.048 0.119 0.000 1.302 136 H CB -1.224 28.601 29.762 0.105 0.000 1.373 136 H HN 0.050 nan 8.280 nan 0.000 0.497 137 A N 1.636 124.615 122.820 0.265 0.000 1.865 137 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 137 A C 2.495 180.193 177.584 0.190 0.000 1.191 137 A CA 1.751 53.910 52.037 0.203 0.000 0.623 137 A CB -0.585 18.313 19.000 -0.170 0.000 0.826 137 A HN 0.265 nan 8.150 nan 0.000 0.444 138 I N -0.009 120.620 120.570 0.097 0.000 2.163 138 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 138 I C 2.289 178.499 176.117 0.156 0.000 1.085 138 I CA 1.813 63.169 61.300 0.092 0.000 1.347 138 I CB -1.961 36.067 38.000 0.047 0.000 1.044 138 I HN 0.456 nan 8.210 nan 0.000 0.408 139 E N 0.624 120.935 120.200 0.185 0.000 2.070 139 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 139 E C 2.162 178.907 176.600 0.241 0.000 1.004 139 E CA 1.605 58.126 56.400 0.202 0.000 0.805 139 E CB -0.359 29.477 29.700 0.226 0.000 0.744 139 E HN 0.419 nan 8.360 nan 0.000 0.451 140 F N 1.510 121.572 119.950 0.187 0.000 2.069 140 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 140 F C 2.009 177.936 175.800 0.211 0.000 1.113 140 F CA 1.421 59.550 58.000 0.216 0.000 1.214 140 F CB -0.281 38.865 39.000 0.242 0.000 0.978 140 F HN -0.078 nan 8.300 nan 0.000 0.474 141 I N 0.481 121.041 120.570 -0.016 0.000 2.454 141 I HA -0.330 3.840 4.170 -0.000 0.000 0.254 141 I C 2.145 178.256 176.117 -0.010 0.000 1.156 141 I CA 1.228 62.481 61.300 -0.079 0.000 1.433 141 I CB -0.664 37.415 38.000 0.132 0.000 1.082 141 I HN 0.291 nan 8.210 nan 0.000 0.432 142 N N 0.394 119.137 118.700 0.072 0.000 2.216 142 N HA -0.201 4.539 4.740 -0.000 0.000 0.183 142 N C 1.863 177.370 175.510 -0.005 0.000 1.017 142 N CA 1.006 54.129 53.050 0.120 0.000 0.861 142 N CB -0.049 38.548 38.487 0.184 0.000 0.986 142 N HN 0.499 nan 8.380 nan 0.000 0.428 143 Q N 0.216 120.003 119.800 -0.022 0.000 1.993 143 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 143 Q C 2.041 177.942 176.000 -0.166 0.000 0.984 143 Q CA 1.452 57.258 55.803 0.006 0.000 0.837 143 Q CB -0.256 28.564 28.738 0.136 0.000 0.902 143 Q HN 0.352 nan 8.270 nan 0.000 0.423 144 Y N -0.065 119.846 120.300 -0.647 0.000 2.053 144 Y HA -0.335 4.215 4.550 -0.000 0.000 0.277 144 Y C 1.814 177.214 175.900 -0.834 0.000 1.159 144 Y CA 2.275 59.673 58.100 -1.169 0.000 1.125 144 Y CB -0.618 37.111 38.460 -1.219 0.000 0.969 144 Y HN 0.249 nan 8.280 nan 0.000 0.492 145 Y N -0.281 119.827 120.300 -0.321 0.000 2.497 145 Y HA -0.015 4.535 4.550 -0.000 0.000 0.292 145 Y C 2.485 178.192 175.900 -0.322 0.000 1.137 145 Y CA 1.133 58.995 58.100 -0.397 0.000 1.285 145 Y CB -0.681 37.284 38.460 -0.824 0.000 0.991 145 Y HN 0.257 nan 8.280 nan 0.000 0.556 146 G N -1.894 106.823 108.800 -0.139 0.000 2.920 146 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.208 146 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.208 146 G C 1.678 176.553 174.900 -0.041 0.000 1.159 146 G CA 0.737 45.819 45.100 -0.031 0.000 0.784 146 G HN 0.363 nan 8.290 nan 0.000 0.535 147 S N 0.112 115.728 115.700 -0.140 0.000 2.310 147 S HA 0.143 4.613 4.470 -0.000 0.000 0.201 147 S C 0.890 175.467 174.600 -0.038 0.000 1.032 147 S CA -0.515 57.627 58.200 -0.096 0.000 0.993 147 S CB -0.489 62.565 63.200 -0.243 0.000 0.970 147 S HN 0.128 nan 8.310 nan 0.000 0.446 148 F N 3.299 123.120 119.950 -0.214 0.000 2.613 148 F HA 0.047 4.574 4.527 -0.000 0.000 0.373 148 F C 0.750 176.512 175.800 -0.064 0.000 1.085 148 F CA 0.714 58.633 58.000 -0.136 0.000 1.309 148 F CB 0.330 39.224 39.000 -0.175 0.000 0.986 148 F HN 0.279 nan 8.300 nan 0.000 0.592 149 K N 5.846 126.226 120.400 -0.033 0.000 2.436 149 K HA 0.013 4.333 4.320 -0.000 0.000 0.275 149 K C -0.224 176.526 176.600 0.251 0.000 0.999 149 K CA 0.177 56.499 56.287 0.059 0.000 0.980 149 K CB 0.239 32.715 32.500 -0.040 0.000 0.919 149 K HN 0.778 nan 8.250 nan 0.000 0.484 150 E N 0.841 121.130 120.200 0.148 0.000 3.179 150 E HA -0.229 4.121 4.350 -0.000 0.000 0.148 150 E C -1.050 175.637 176.600 0.145 0.000 1.916 150 E CA 0.449 56.927 56.400 0.131 0.000 0.709 150 E CB -1.780 27.986 29.700 0.112 0.000 1.081 150 E HN 0.658 nan 8.360 nan 0.000 0.351 151 A N 3.818 126.712 122.820 0.124 0.000 2.483 151 A HA 0.137 4.457 4.320 -0.000 0.000 0.238 151 A C 0.562 178.211 177.584 0.108 0.000 1.070 151 A CA 0.112 52.228 52.037 0.131 0.000 0.770 151 A CB 0.401 19.489 19.000 0.148 0.000 1.008 151 A HN 0.471 nan 8.150 nan 0.000 0.497 152 K N 3.131 123.613 120.400 0.137 0.000 2.333 152 K HA 0.240 4.560 4.320 -0.000 0.000 0.241 152 K C 0.546 177.193 176.600 0.078 0.000 1.193 152 K CA -0.072 56.275 56.287 0.099 0.000 1.142 152 K CB -0.074 32.503 32.500 0.129 0.000 1.731 152 K HN 0.683 nan 8.250 nan 0.000 0.344 153 I N 1.416 122.026 120.570 0.066 0.000 2.145 153 I HA -0.424 3.746 4.170 -0.000 0.000 0.244 153 I C 2.417 178.506 176.117 -0.047 0.000 1.075 153 I CA 1.471 62.790 61.300 0.032 0.000 1.332 153 I CB -0.440 37.565 38.000 0.007 0.000 1.033 153 I HN 0.510 nan 8.210 nan 0.000 0.410 154 E N 1.932 122.108 120.200 -0.041 0.000 2.058 154 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 154 E C 1.791 178.338 176.600 -0.089 0.000 0.997 154 E CA 1.713 58.078 56.400 -0.059 0.000 0.801 154 E CB -0.712 28.967 29.700 -0.034 0.000 0.746 154 E HN 0.653 nan 8.360 nan 0.000 0.450 155 E N 0.113 120.262 120.200 -0.086 0.000 2.152 155 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 155 E C 2.181 178.531 176.600 -0.417 0.000 0.983 155 E CA 0.801 57.127 56.400 -0.123 0.000 0.818 155 E CB -0.330 29.389 29.700 0.032 0.000 0.758 155 E HN 0.537 nan 8.360 nan 0.000 0.467 156 H N 0.411 119.025 119.070 -0.761 0.000 2.267 156 H HA -0.153 4.403 4.556 -0.000 0.000 0.297 156 H C 1.934 176.940 175.328 -0.536 0.000 1.080 156 H CA 0.955 56.332 56.048 -1.118 0.000 1.278 156 H CB 0.218 29.625 29.762 -0.591 0.000 1.365 156 H HN 0.031 nan 8.280 nan 0.000 0.489 157 L N 0.986 122.055 121.223 -0.257 0.000 2.042 157 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 157 L C 2.922 179.703 176.870 -0.148 0.000 1.076 157 L CA 1.765 56.471 54.840 -0.223 0.000 0.749 157 L CB -1.358 40.591 42.059 -0.183 0.000 0.893 157 L HN 0.443 nan 8.230 nan 0.000 0.432 158 A N -0.660 122.080 122.820 -0.134 0.000 1.877 158 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 158 A C 2.503 180.046 177.584 -0.068 0.000 1.186 158 A CA 1.877 53.863 52.037 -0.085 0.000 0.620 158 A CB -0.477 18.485 19.000 -0.064 0.000 0.822 158 A HN 0.317 nan 8.150 nan 0.000 0.443 159 R N -0.038 120.405 120.500 -0.096 0.000 2.075 159 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 159 R C 1.929 178.222 176.300 -0.013 0.000 1.126 159 R CA 1.523 57.611 56.100 -0.020 0.000 0.963 159 R CB -0.900 29.426 30.300 0.043 0.000 0.858 159 R HN 0.513 nan 8.270 nan 0.000 0.435 160 L N 0.425 121.626 121.223 -0.037 0.000 1.990 160 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 160 L C 2.654 179.495 176.870 -0.049 0.000 1.072 160 L CA 1.949 56.773 54.840 -0.027 0.000 0.755 160 L CB -0.616 41.414 42.059 -0.049 0.000 0.889 160 L HN 0.376 nan 8.230 nan 0.000 0.432 161 E N 0.122 120.288 120.200 -0.056 0.000 2.077 161 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 161 E C 2.161 178.740 176.600 -0.036 0.000 0.989 161 E CA 1.415 57.785 56.400 -0.049 0.000 0.800 161 E CB 0.049 29.718 29.700 -0.052 0.000 0.746 161 E HN 0.472 nan 8.360 nan 0.000 0.452 162 A N 0.468 123.274 122.820 -0.024 0.000 1.930 162 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 162 A C 2.433 180.016 177.584 -0.003 0.000 1.175 162 A CA 1.285 53.320 52.037 -0.005 0.000 0.627 162 A CB -0.419 18.589 19.000 0.013 0.000 0.815 162 A HN 0.184 nan 8.150 nan 0.000 0.443 163 V N -0.424 119.475 119.914 -0.025 0.000 2.379 163 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 163 V C 2.697 178.715 176.094 -0.126 0.000 1.044 163 V CA 2.281 64.531 62.300 -0.082 0.000 1.036 163 V CB -1.263 30.454 31.823 -0.177 0.000 0.664 163 V HN 0.584 nan 8.190 nan 0.000 0.453 164 T N -0.013 114.479 114.554 -0.103 0.000 2.665 164 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 164 T C 1.918 176.585 174.700 -0.055 0.000 1.035 164 T CA 2.118 64.165 62.100 -0.088 0.000 1.151 164 T CB -0.226 68.603 68.868 -0.065 0.000 0.862 164 T HN 0.462 nan 8.240 nan 0.000 0.438 165 K N 0.987 121.365 120.400 -0.036 0.000 2.009 165 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 165 K C 2.410 179.008 176.600 -0.002 0.000 1.049 165 K CA 1.795 58.073 56.287 -0.016 0.000 0.929 165 K CB -0.172 32.323 32.500 -0.009 0.000 0.714 165 K HN 0.398 nan 8.250 nan 0.000 0.440 166 E N 0.384 120.589 120.200 0.009 0.000 2.160 166 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 166 E C 1.929 178.557 176.600 0.047 0.000 0.991 166 E CA 1.255 57.680 56.400 0.042 0.000 0.810 166 E CB -0.045 29.705 29.700 0.084 0.000 0.742 166 E HN 0.411 nan 8.360 nan 0.000 0.466 167 I N 1.353 121.928 120.570 0.008 0.000 2.202 167 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 167 I C 2.405 178.528 176.117 0.011 0.000 1.091 167 I CA 1.482 62.787 61.300 0.009 0.000 1.368 167 I CB -0.431 37.529 38.000 -0.066 0.000 1.058 167 I HN 0.206 nan 8.210 nan 0.000 0.410 168 E N 0.521 120.718 120.200 -0.004 0.000 2.204 168 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 168 E C 1.773 178.378 176.600 0.008 0.000 0.989 168 E CA 1.630 58.029 56.400 -0.002 0.000 0.824 168 E CB -0.488 29.206 29.700 -0.010 0.000 0.756 168 E HN 0.436 nan 8.360 nan 0.000 0.477 169 T N 0.592 115.155 114.554 0.014 0.000 2.896 169 T HA -0.049 4.301 4.350 -0.000 0.000 0.263 169 T C 1.872 176.587 174.700 0.026 0.000 1.050 169 T CA 1.609 63.720 62.100 0.018 0.000 1.140 169 T CB -0.085 68.795 68.868 0.020 0.000 0.877 169 T HN 0.314 nan 8.240 nan 0.000 0.457 170 T N -1.236 113.339 114.554 0.036 0.000 2.978 170 T HA 0.554 4.904 4.350 -0.000 0.000 0.248 170 T C 1.743 176.468 174.700 0.041 0.000 1.018 170 T CA 0.456 62.581 62.100 0.041 0.000 1.026 170 T CB 0.448 69.348 68.868 0.053 0.000 1.032 170 T HN 0.534 nan 8.240 nan 0.000 0.485 171 G N 1.049 109.876 108.800 0.045 0.000 3.700 171 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.211 171 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.211 171 G C 0.426 175.371 174.900 0.075 0.000 1.777 171 G CA 0.147 45.272 45.100 0.043 0.000 1.460 171 G HN 0.701 nan 8.290 nan 0.000 0.615 172 T N 0.576 115.180 114.554 0.083 0.000 2.793 172 T HA 0.643 4.993 4.350 -0.000 0.000 0.299 172 T C -0.105 174.731 174.700 0.226 0.000 1.038 172 T CA 0.879 63.055 62.100 0.128 0.000 0.948 172 T CB 0.713 69.600 68.868 0.032 0.000 1.231 172 T HN 1.627 nan 8.240 nan 0.000 0.538 173 Y N -1.099 119.199 120.300 -0.003 0.000 2.638 173 Y HA 0.681 5.231 4.550 -0.000 0.000 0.335 173 Y C -1.298 174.614 175.900 0.019 0.000 1.155 173 Y CA -1.344 56.766 58.100 0.015 0.000 1.046 173 Y CB 0.883 39.363 38.460 0.034 0.000 1.303 173 Y HN 0.362 nan 8.280 nan 0.000 0.460 174 Q N 2.330 122.136 119.800 0.010 0.000 2.282 174 Q HA 0.506 4.846 4.340 -0.000 0.000 0.260 174 Q C -1.087 174.902 176.000 -0.018 0.000 0.964 174 Q CA -0.773 54.985 55.803 -0.074 0.000 0.880 174 Q CB 2.800 31.543 28.738 0.009 0.000 1.286 174 Q HN 0.859 nan 8.270 nan 0.000 0.445 175 L N 1.545 122.733 121.223 -0.059 0.000 2.350 175 L HA 0.301 4.641 4.340 -0.000 0.000 0.275 175 L C 0.943 177.840 176.870 0.045 0.000 1.099 175 L CA -0.517 54.344 54.840 0.035 0.000 0.808 175 L CB 1.024 43.105 42.059 0.037 0.000 1.149 175 L HN 0.654 nan 8.230 nan 0.000 0.442 176 T N -0.132 114.444 114.554 0.036 0.000 2.930 176 T HA 0.083 4.433 4.350 -0.000 0.000 0.306 176 T C 1.094 175.810 174.700 0.027 0.000 1.045 176 T CA -0.577 61.532 62.100 0.015 0.000 1.134 176 T CB 0.907 69.758 68.868 -0.027 0.000 0.961 176 T HN 0.552 nan 8.240 nan 0.000 0.545 177 L N 1.497 122.741 121.223 0.034 0.000 2.021 177 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 177 L C 2.335 179.255 176.870 0.084 0.000 1.074 177 L CA 2.294 57.159 54.840 0.042 0.000 0.760 177 L CB -0.763 41.317 42.059 0.035 0.000 0.889 177 L HN 0.898 nan 8.230 nan 0.000 0.433 178 D N -0.714 119.750 120.400 0.106 0.000 2.265 178 D HA -0.199 4.441 4.640 -0.000 0.000 0.208 178 D C 2.013 178.527 176.300 0.356 0.000 0.977 178 D CA 1.110 55.229 54.000 0.199 0.000 0.871 178 D CB 0.099 41.021 40.800 0.203 0.000 0.925 178 D HN 0.584 nan 8.370 nan 0.000 0.485 179 E N -0.395 119.919 120.200 0.189 0.000 2.076 179 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 179 E C 2.240 179.090 176.600 0.416 0.000 0.979 179 E CA 0.077 56.608 56.400 0.219 0.000 0.807 179 E CB 0.090 29.756 29.700 -0.056 0.000 0.761 179 E HN 0.278 nan 8.360 nan 0.000 0.454 180 L N 1.049 122.396 121.223 0.207 0.000 2.017 180 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 180 L C 2.370 179.320 176.870 0.133 0.000 1.073 180 L CA 1.118 56.014 54.840 0.093 0.000 0.745 180 L CB -0.208 41.829 42.059 -0.037 0.000 0.894 180 L HN 0.212 nan 8.230 nan 0.000 0.432 181 I N -0.789 119.875 120.570 0.156 0.000 2.145 181 I HA -0.416 3.754 4.170 -0.000 0.000 0.244 181 I C 2.427 178.685 176.117 0.235 0.000 1.075 181 I CA 1.842 63.230 61.300 0.148 0.000 1.332 181 I CB -0.383 37.707 38.000 0.150 0.000 1.033 181 I HN 0.250 nan 8.210 nan 0.000 0.410 182 F N 1.412 121.487 119.950 0.207 0.000 2.146 182 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 182 F C 2.437 178.395 175.800 0.263 0.000 1.096 182 F CA 1.377 59.523 58.000 0.244 0.000 1.275 182 F CB -0.285 38.908 39.000 0.321 0.000 1.008 182 F HN 0.000 nan 8.300 nan 0.000 0.480 183 A N 0.063 123.128 122.820 0.410 0.000 1.877 183 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 183 A C 2.278 179.849 177.584 -0.023 0.000 1.186 183 A CA 2.619 54.772 52.037 0.193 0.000 0.620 183 A CB -1.656 17.389 19.000 0.074 0.000 0.822 183 A HN 0.520 nan 8.150 nan 0.000 0.443 184 T N -1.469 113.084 114.554 -0.001 0.000 2.746 184 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 184 T C 1.803 176.575 174.700 0.120 0.000 1.039 184 T CA 1.683 63.799 62.100 0.027 0.000 1.142 184 T CB -0.349 68.540 68.868 0.036 0.000 0.866 184 T HN 0.539 nan 8.240 nan 0.000 0.444 185 K N 0.156 120.629 120.400 0.122 0.000 2.097 185 K HA 0.097 4.417 4.320 -0.000 0.000 0.205 185 K C 2.484 179.162 176.600 0.129 0.000 1.050 185 K CA 1.134 57.562 56.287 0.235 0.000 0.938 185 K CB -0.205 32.429 32.500 0.223 0.000 0.718 185 K HN 0.246 nan 8.250 nan 0.000 0.442 186 M N 0.414 119.940 119.600 -0.124 0.000 2.132 186 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 186 M C 2.416 178.606 176.300 -0.182 0.000 1.065 186 M CA 1.289 56.437 55.300 -0.253 0.000 1.122 186 M CB -1.049 31.323 32.600 -0.381 0.000 1.365 186 M HN 0.137 nan 8.290 nan 0.000 0.411 187 A N -0.651 122.031 122.820 -0.230 0.000 1.940 187 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 187 A C 2.026 179.452 177.584 -0.264 0.000 1.176 187 A CA 1.554 53.295 52.037 -0.493 0.000 0.631 187 A CB -1.108 17.195 19.000 -1.161 0.000 0.814 187 A HN 0.677 nan 8.150 nan 0.000 0.446 188 W N 0.796 122.034 121.300 -0.103 0.000 2.407 188 W HA -0.079 4.581 4.660 -0.000 0.000 0.305 188 W C 2.267 178.724 176.519 -0.104 0.000 1.196 188 W CA 1.386 58.732 57.345 0.003 0.000 1.311 188 W CB -0.724 28.728 29.460 -0.014 0.000 1.135 188 W HN 0.342 nan 8.180 nan 0.000 0.514 189 R N 0.394 120.831 120.500 -0.105 0.000 2.159 189 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 189 R C 1.082 177.251 176.300 -0.220 0.000 1.131 189 R CA 1.739 57.638 56.100 -0.336 0.000 0.982 189 R CB -0.432 29.547 30.300 -0.535 0.000 0.868 189 R HN 0.079 nan 8.270 nan 0.000 0.453 190 N N -0.164 118.442 118.700 -0.157 0.000 2.270 190 N HA 0.079 4.819 4.740 -0.000 0.000 0.198 190 N C -0.803 174.620 175.510 -0.145 0.000 1.117 190 N CA 0.370 53.357 53.050 -0.105 0.000 0.845 190 N CB 1.183 39.667 38.487 -0.005 0.000 0.980 190 N HN 0.130 nan 8.380 nan 0.000 0.486 191 A N 2.275 124.995 122.820 -0.166 0.000 2.539 191 A HA 0.258 4.578 4.320 -0.000 0.000 0.306 191 A C -1.065 176.456 177.584 -0.105 0.000 1.392 191 A CA -1.109 50.784 52.037 -0.240 0.000 1.060 191 A CB 0.424 19.362 19.000 -0.104 0.000 1.134 191 A HN -0.005 nan 8.150 nan 0.000 0.542 192 P HA -0.153 nan 4.420 nan 0.000 0.225 192 P C 0.713 177.993 177.300 -0.033 0.000 1.148 192 P CA 1.020 64.097 63.100 -0.040 0.000 0.779 192 P CB 0.203 31.884 31.700 -0.030 0.000 0.780 193 R N -1.401 119.052 120.500 -0.080 0.000 2.393 193 R HA 0.186 4.526 4.340 -0.000 0.000 0.244 193 R C 0.445 176.796 176.300 0.085 0.000 0.920 193 R CA -0.211 55.884 56.100 -0.008 0.000 1.076 193 R CB -0.150 29.964 30.300 -0.311 0.000 1.119 193 R HN 0.162 nan 8.270 nan 0.000 0.524 194 C N 0.470 119.784 119.300 0.023 0.000 2.322 194 C HA 0.427 4.887 4.460 -0.000 0.000 0.324 194 C C 1.615 176.594 174.990 -0.018 0.000 1.284 194 C CA -0.755 58.292 59.018 0.049 0.000 1.606 194 C CB 0.083 27.908 27.740 0.141 0.000 2.251 194 C HN 0.472 nan 8.230 nan 0.000 0.502 195 I N 4.102 124.629 120.570 -0.072 0.000 3.030 195 I HA 0.134 4.304 4.170 -0.000 0.000 0.270 195 I C 2.243 178.419 176.117 0.099 0.000 1.211 195 I CA 1.024 62.240 61.300 -0.141 0.000 1.479 195 I CB -0.327 37.575 38.000 -0.163 0.000 1.105 195 I HN 0.920 nan 8.210 nan 0.000 0.447 196 G N 1.124 109.979 108.800 0.092 0.000 3.124 196 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.212 196 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.212 196 G C 1.347 176.268 174.900 0.035 0.000 1.181 196 G CA -0.326 44.826 45.100 0.087 0.000 0.803 196 G HN 0.309 nan 8.290 nan 0.000 0.529 197 R N -0.188 120.251 120.500 -0.102 0.000 2.377 197 R HA 0.101 4.441 4.340 -0.000 0.000 0.207 197 R C 1.791 177.519 176.300 -0.953 0.000 1.075 197 R CA 0.163 55.868 56.100 -0.658 0.000 1.035 197 R CB -0.198 29.794 30.300 -0.514 0.000 0.857 197 R HN 0.448 nan 8.270 nan 0.000 0.475 198 I N 0.655 120.886 120.570 -0.565 0.000 3.111 198 I HA -0.146 4.024 4.170 -0.000 0.000 0.272 198 I C 1.231 177.235 176.117 -0.189 0.000 1.268 198 I CA 0.856 61.970 61.300 -0.310 0.000 1.467 198 I CB 0.234 38.210 38.000 -0.041 0.000 1.087 198 I HN 0.145 nan 8.210 nan 0.000 0.467 199 Q N 0.629 120.246 119.800 -0.305 0.000 2.280 199 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 199 Q C 1.515 177.132 176.000 -0.637 0.000 0.890 199 Q CA 0.078 55.724 55.803 -0.261 0.000 0.947 199 Q CB -0.067 28.677 28.738 0.009 0.000 1.081 199 Q HN 0.746 nan 8.270 nan 0.000 0.502 200 W N 1.130 121.729 121.300 -1.168 0.000 2.308 200 W HA -0.242 4.418 4.660 0.000 0.000 0.301 200 W C 1.270 177.538 176.519 -0.419 0.000 1.220 200 W CA 1.641 58.191 57.345 -1.325 0.000 1.240 200 W CB -1.300 27.561 29.460 -0.999 0.000 1.142 200 W HN 0.161 nan 8.180 nan 0.000 0.521 201 S N 0.543 115.381 115.700 -1.437 0.000 2.527 201 S HA -0.033 4.437 4.470 -0.000 0.000 0.222 201 S C 0.350 174.682 174.600 -0.446 0.000 0.985 201 S CA 0.334 57.839 58.200 -1.158 0.000 0.921 201 S CB -0.980 61.360 63.200 -1.433 0.000 0.772 201 S HN 0.344 nan 8.310 nan 0.000 0.529 202 N N 1.605 120.155 118.700 -0.250 0.000 3.105 202 N HA 0.548 5.288 4.740 -0.000 0.000 0.256 202 N C -1.295 174.280 175.510 0.108 0.000 1.174 202 N CA -0.341 52.685 53.050 -0.040 0.000 1.030 202 N CB 0.958 39.455 38.487 0.016 0.000 1.305 202 N HN 0.265 nan 8.380 nan 0.000 0.509 203 L N 1.055 122.324 121.223 0.078 0.000 2.431 203 L HA 0.480 4.820 4.340 -0.000 0.000 0.266 203 L C -1.204 175.652 176.870 -0.023 0.000 0.978 203 L CA -0.812 54.075 54.840 0.078 0.000 0.822 203 L CB 2.087 44.242 42.059 0.161 0.000 1.310 203 L HN 0.177 nan 8.230 nan 0.000 0.409 204 Q N 2.675 122.413 119.800 -0.102 0.000 2.290 204 Q HA 0.666 5.006 4.340 -0.000 0.000 0.259 204 Q C -1.748 173.965 176.000 -0.479 0.000 0.941 204 Q CA -0.384 55.239 55.803 -0.301 0.000 0.912 204 Q CB 1.728 30.208 28.738 -0.430 0.000 1.244 204 Q HN 0.540 nan 8.270 nan 0.000 0.441 205 V N 5.295 124.949 119.914 -0.434 0.000 2.417 205 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 205 V C -0.899 174.992 176.094 -0.340 0.000 1.024 205 V CA -0.630 61.457 62.300 -0.354 0.000 0.861 205 V CB 0.859 32.590 31.823 -0.152 0.000 0.985 205 V HN 0.640 nan 8.190 nan 0.000 0.436 206 F N 2.448 122.303 119.950 -0.159 0.000 2.361 206 F HA 0.374 4.901 4.527 -0.000 0.000 0.364 206 F C 0.504 176.158 175.800 -0.243 0.000 1.117 206 F CA -1.635 56.256 58.000 -0.181 0.000 1.071 206 F CB 1.057 39.958 39.000 -0.165 0.000 1.188 206 F HN 0.447 nan 8.300 nan 0.000 0.464 207 D N 3.364 123.768 120.400 0.007 0.000 2.383 207 D HA 0.319 4.959 4.640 -0.000 0.000 0.245 207 D C 0.278 176.443 176.300 -0.225 0.000 1.263 207 D CA 0.310 54.242 54.000 -0.113 0.000 0.936 207 D CB 0.819 41.586 40.800 -0.054 0.000 1.053 207 D HN 0.603 nan 8.370 nan 0.000 0.507 208 A N 4.515 127.065 122.820 -0.450 0.000 2.701 208 A HA 0.160 4.480 4.320 -0.000 0.000 0.297 208 A C 1.667 178.942 177.584 -0.515 0.000 1.197 208 A CA -0.406 51.171 52.037 -0.766 0.000 0.963 208 A CB 0.116 18.152 19.000 -1.605 0.000 1.175 208 A HN 0.477 nan 8.150 nan 0.000 0.531 209 R N 0.563 120.895 120.500 -0.280 0.000 2.237 209 R HA -0.111 4.229 4.340 -0.000 0.000 0.219 209 R C 1.018 177.225 176.300 -0.155 0.000 1.080 209 R CA 1.434 57.431 56.100 -0.172 0.000 0.995 209 R CB -0.054 30.213 30.300 -0.054 0.000 0.875 209 R HN 0.740 nan 8.270 nan 0.000 0.462 210 N N -0.610 118.015 118.700 -0.126 0.000 2.336 210 N HA -0.041 4.699 4.740 -0.000 0.000 0.189 210 N C 0.320 175.817 175.510 -0.021 0.000 1.113 210 N CA -0.189 52.829 53.050 -0.053 0.000 0.858 210 N CB -0.219 38.257 38.487 -0.017 0.000 0.970 210 N HN 0.023 nan 8.380 nan 0.000 0.471 211 C N 0.772 120.025 119.300 -0.077 0.000 2.703 211 C HA 0.428 4.888 4.460 -0.000 0.000 0.411 211 C C 1.580 176.691 174.990 0.202 0.000 1.290 211 C CA 0.529 59.589 59.018 0.070 0.000 2.054 211 C CB 0.016 27.779 27.740 0.038 0.000 2.732 211 C HN 0.680 nan 8.230 nan 0.000 0.650 212 S N 0.866 116.779 115.700 0.354 0.000 2.700 212 S HA 0.216 4.686 4.470 -0.000 0.000 0.272 212 S C -0.019 174.763 174.600 0.302 0.000 1.052 212 S CA 0.319 58.770 58.200 0.418 0.000 1.317 212 S CB -0.203 63.132 63.200 0.225 0.000 1.212 212 S HN 1.033 nan 8.310 nan 0.000 0.675 213 T N -0.942 113.782 114.554 0.282 0.000 2.906 213 T HA 0.862 5.212 4.350 -0.000 0.000 0.295 213 T C 1.197 176.019 174.700 0.204 0.000 1.075 213 T CA -0.274 61.926 62.100 0.167 0.000 1.005 213 T CB 1.424 70.369 68.868 0.129 0.000 1.136 213 T HN 0.219 nan 8.240 nan 0.000 0.498 214 A N 0.643 123.556 122.820 0.154 0.000 1.858 214 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 214 A C 2.292 180.010 177.584 0.223 0.000 1.190 214 A CA 2.146 54.325 52.037 0.237 0.000 0.617 214 A CB -1.223 17.958 19.000 0.303 0.000 0.827 214 A HN 0.878 nan 8.150 nan 0.000 0.443 215 Q N -0.292 119.596 119.800 0.147 0.000 2.135 215 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 215 Q C 1.886 177.886 176.000 0.000 0.000 0.981 215 Q CA 2.227 57.975 55.803 -0.092 0.000 0.856 215 Q CB -0.276 28.473 28.738 0.019 0.000 0.902 215 Q HN 0.774 nan 8.270 nan 0.000 0.425 216 E N -1.136 119.136 120.200 0.120 0.000 2.152 216 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 216 E C 1.791 178.618 176.600 0.377 0.000 0.983 216 E CA 0.865 57.373 56.400 0.179 0.000 0.818 216 E CB 0.022 29.859 29.700 0.229 0.000 0.758 216 E HN 0.447 nan 8.360 nan 0.000 0.467 217 M N -0.253 119.606 119.600 0.431 0.000 2.077 217 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 217 M C 2.124 178.709 176.300 0.475 0.000 1.070 217 M CA 1.027 56.699 55.300 0.619 0.000 1.125 217 M CB -0.368 32.425 32.600 0.321 0.000 1.339 217 M HN 0.199 nan 8.290 nan 0.000 0.409 218 F N 1.815 121.786 119.950 0.034 0.000 2.115 218 F HA -0.300 4.227 4.527 -0.000 0.000 0.300 218 F C 2.199 177.967 175.800 -0.052 0.000 1.092 218 F CA 1.897 59.828 58.000 -0.114 0.000 1.245 218 F CB -0.793 37.852 39.000 -0.591 0.000 0.995 218 F HN 0.234 nan 8.300 nan 0.000 0.481 219 Q N -1.400 118.314 119.800 -0.143 0.000 2.079 219 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 219 Q C 2.047 177.940 176.000 -0.178 0.000 0.974 219 Q CA 1.848 57.468 55.803 -0.305 0.000 0.840 219 Q CB -0.386 28.165 28.738 -0.313 0.000 0.898 219 Q HN 0.560 nan 8.270 nan 0.000 0.430 220 H N 0.063 119.132 119.070 -0.002 0.000 2.353 220 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 220 H C 1.889 177.270 175.328 0.088 0.000 1.090 220 H CA 1.453 57.490 56.048 -0.018 0.000 1.327 220 H CB 0.087 29.817 29.762 -0.054 0.000 1.383 220 H HN 0.159 nan 8.280 nan 0.000 0.508 221 I N -0.358 120.423 120.570 0.352 0.000 2.179 221 I HA -0.336 3.834 4.170 -0.000 0.000 0.242 221 I C 2.090 178.352 176.117 0.242 0.000 1.088 221 I CA 0.909 62.416 61.300 0.345 0.000 1.357 221 I CB -0.254 37.962 38.000 0.360 0.000 1.051 221 I HN 0.419 nan 8.210 nan 0.000 0.409 222 C N 0.264 119.623 119.300 0.098 0.000 2.429 222 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 222 C C 2.957 177.959 174.990 0.021 0.000 1.262 222 C CA 0.985 60.008 59.018 0.008 0.000 1.733 222 C CB -1.276 26.348 27.740 -0.194 0.000 2.010 222 C HN 0.488 nan 8.230 nan 0.000 0.483 223 R N -0.026 120.462 120.500 -0.020 0.000 2.096 223 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 223 R C 2.316 178.673 176.300 0.094 0.000 1.127 223 R CA 1.599 57.663 56.100 -0.060 0.000 0.968 223 R CB -0.684 29.476 30.300 -0.233 0.000 0.861 223 R HN 0.740 nan 8.270 nan 0.000 0.440 224 H N 0.337 119.470 119.070 0.105 0.000 2.276 224 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 224 H C 2.140 177.632 175.328 0.274 0.000 1.073 224 H CA 2.076 58.309 56.048 0.308 0.000 1.311 224 H CB -0.037 29.903 29.762 0.296 0.000 1.379 224 H HN 0.205 nan 8.280 nan 0.000 0.494 225 I N 0.678 121.335 120.570 0.145 0.000 2.194 225 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 225 I C 2.760 178.900 176.117 0.039 0.000 1.093 225 I CA 0.897 62.219 61.300 0.038 0.000 1.355 225 I CB -0.271 37.770 38.000 0.069 0.000 1.046 225 I HN 0.252 nan 8.210 nan 0.000 0.413 226 L N 0.268 121.533 121.223 0.071 0.000 1.994 226 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 226 L C 2.558 179.473 176.870 0.075 0.000 1.071 226 L CA 1.916 56.788 54.840 0.054 0.000 0.745 226 L CB -0.905 41.179 42.059 0.041 0.000 0.892 226 L HN 0.244 nan 8.230 nan 0.000 0.431 227 Y N 0.120 120.452 120.300 0.052 0.000 2.128 227 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 227 Y C 2.357 178.294 175.900 0.061 0.000 1.154 227 Y CA 2.099 60.264 58.100 0.108 0.000 1.149 227 Y CB -0.659 37.984 38.460 0.305 0.000 0.976 227 Y HN 0.266 nan 8.280 nan 0.000 0.505 228 A N -0.350 122.504 122.820 0.057 0.000 1.883 228 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 228 A C 2.225 179.750 177.584 -0.097 0.000 1.186 228 A CA 2.505 54.500 52.037 -0.070 0.000 0.624 228 A CB -1.462 17.450 19.000 -0.146 0.000 0.822 228 A HN 0.546 nan 8.150 nan 0.000 0.444 229 T N -0.197 114.324 114.554 -0.055 0.000 2.652 229 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 229 T C 1.219 175.884 174.700 -0.059 0.000 1.039 229 T CA 1.579 63.664 62.100 -0.024 0.000 1.153 229 T CB -0.462 68.403 68.868 -0.004 0.000 0.863 229 T HN 0.648 nan 8.240 nan 0.000 0.428 230 N N 1.650 120.290 118.700 -0.101 0.000 2.708 230 N HA -0.263 4.477 4.740 -0.000 0.000 0.249 230 N C -0.122 175.347 175.510 -0.069 0.000 1.097 230 N CA 0.944 53.924 53.050 -0.117 0.000 0.710 230 N CB -2.226 36.152 38.487 -0.182 0.000 1.032 230 N HN 0.691 nan 8.380 nan 0.000 0.551 231 N N -1.540 117.133 118.700 -0.046 0.000 2.696 231 N HA -0.229 4.511 4.740 -0.000 0.000 0.256 231 N C 1.000 176.486 175.510 -0.040 0.000 1.031 231 N CA 1.316 54.344 53.050 -0.037 0.000 0.730 231 N CB -1.238 37.227 38.487 -0.036 0.000 0.894 231 N HN 1.031 nan 8.380 nan 0.000 0.544 232 G N 1.125 109.908 108.800 -0.030 0.000 2.527 232 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.218 232 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.218 232 G C 0.098 174.983 174.900 -0.024 0.000 1.177 232 G CA 0.321 45.406 45.100 -0.026 0.000 0.695 232 G HN 0.619 nan 8.290 nan 0.000 0.517 233 N N 2.191 120.860 118.700 -0.051 0.000 3.193 233 N HA 0.228 4.968 4.740 -0.000 0.000 0.312 233 N C 0.651 176.124 175.510 -0.061 0.000 1.261 233 N CA -0.529 52.477 53.050 -0.074 0.000 1.208 233 N CB -0.361 38.078 38.487 -0.080 0.000 1.471 233 N HN 0.327 nan 8.380 nan 0.000 0.548 234 I N 1.945 122.509 120.570 -0.009 0.000 3.075 234 I HA -0.185 3.985 4.170 -0.000 0.000 0.320 234 I C 0.830 177.028 176.117 0.135 0.000 1.211 234 I CA 1.237 62.584 61.300 0.078 0.000 1.463 234 I CB -0.210 37.922 38.000 0.220 0.000 1.308 234 I HN 0.351 nan 8.210 nan 0.000 0.553 235 R N 3.921 124.467 120.500 0.077 0.000 2.534 235 R HA 0.375 4.715 4.340 -0.000 0.000 0.301 235 R C -0.378 176.014 176.300 0.153 0.000 0.961 235 R CA -0.653 55.513 56.100 0.110 0.000 0.871 235 R CB 1.865 32.074 30.300 -0.151 0.000 1.170 235 R HN 0.546 nan 8.270 nan 0.000 0.446 236 S N 1.533 117.330 115.700 0.161 0.000 2.531 236 S HA 0.500 4.970 4.470 -0.000 0.000 0.279 236 S C -0.406 174.212 174.600 0.030 0.000 1.305 236 S CA -0.196 57.994 58.200 -0.016 0.000 1.058 236 S CB 1.180 64.282 63.200 -0.163 0.000 0.899 236 S HN 0.689 nan 8.310 nan 0.000 0.493 237 A N 3.136 125.955 122.820 -0.001 0.000 2.612 237 A HA 0.811 5.131 4.320 -0.000 0.000 0.293 237 A C -1.357 176.320 177.584 0.155 0.000 1.075 237 A CA -0.658 51.385 52.037 0.010 0.000 0.680 237 A CB 1.174 20.199 19.000 0.042 0.000 1.279 237 A HN 0.794 nan 8.150 nan 0.000 0.411 238 I N 0.548 121.092 120.570 -0.044 0.000 2.656 238 I HA 0.639 4.809 4.170 -0.000 0.000 0.292 238 I C -0.838 175.129 176.117 -0.250 0.000 1.144 238 I CA -0.123 61.126 61.300 -0.085 0.000 1.038 238 I CB 2.323 40.288 38.000 -0.060 0.000 1.244 238 I HN 0.673 nan 8.210 nan 0.000 0.420 239 T N 6.933 121.280 114.554 -0.345 0.000 2.821 239 T HA 0.468 4.818 4.350 -0.000 0.000 0.307 239 T C -0.789 173.793 174.700 -0.197 0.000 1.034 239 T CA -0.360 61.595 62.100 -0.242 0.000 0.953 239 T CB 0.289 69.013 68.868 -0.241 0.000 0.968 239 T HN 0.302 nan 8.240 nan 0.000 0.462 240 V N 7.519 127.290 119.914 -0.239 0.000 2.408 240 V HA 0.391 4.511 4.120 -0.000 0.000 0.267 240 V C 0.135 176.060 176.094 -0.282 0.000 1.047 240 V CA -0.487 61.689 62.300 -0.208 0.000 0.937 240 V CB -0.502 31.115 31.823 -0.342 0.000 0.999 240 V HN 0.744 nan 8.190 nan 0.000 0.472 241 F N 5.600 125.492 119.950 -0.097 0.000 2.348 241 F HA 0.451 4.978 4.527 -0.000 0.000 0.308 241 F C -1.716 174.009 175.800 -0.124 0.000 1.175 241 F CA -2.262 55.638 58.000 -0.167 0.000 1.080 241 F CB 0.135 39.067 39.000 -0.114 0.000 1.341 241 F HN 0.303 nan 8.300 nan 0.000 0.518 242 P HA -0.015 nan 4.420 nan 0.000 0.264 242 P C -0.971 176.286 177.300 -0.072 0.000 1.183 242 P CA -0.025 62.913 63.100 -0.271 0.000 0.763 242 P CB 0.220 31.466 31.700 -0.756 0.000 0.807 243 Q N 3.070 122.772 119.800 -0.163 0.000 2.631 243 Q HA 0.137 4.477 4.340 -0.000 0.000 0.210 243 Q C 0.057 175.909 176.000 -0.246 0.000 1.094 243 Q CA -0.470 54.998 55.803 -0.559 0.000 1.055 243 Q CB 0.504 28.628 28.738 -1.023 0.000 1.261 243 Q HN 0.290 nan 8.270 nan 0.000 0.615 244 R N 0.360 120.698 120.500 -0.270 0.000 2.340 244 R HA 0.085 4.425 4.340 -0.000 0.000 0.300 244 R C 0.329 176.584 176.300 -0.076 0.000 1.069 244 R CA 0.561 56.604 56.100 -0.094 0.000 0.984 244 R CB 0.719 30.966 30.300 -0.087 0.000 1.003 244 R HN 0.904 nan 8.270 nan 0.000 0.459 245 S N 2.698 118.401 115.700 0.005 0.000 2.500 245 S HA -0.059 4.411 4.470 -0.000 0.000 0.174 245 S C 1.071 175.660 174.600 -0.018 0.000 0.857 245 S CA 0.457 58.665 58.200 0.012 0.000 0.905 245 S CB -0.167 63.089 63.200 0.093 0.000 0.819 245 S HN 0.814 nan 8.310 nan 0.000 0.557 246 D N -0.092 120.278 120.400 -0.049 0.000 2.338 246 D HA 0.244 4.884 4.640 -0.000 0.000 0.208 246 D C 1.474 177.721 176.300 -0.088 0.000 0.997 246 D CA 1.107 55.050 54.000 -0.094 0.000 0.880 246 D CB 0.077 40.767 40.800 -0.183 0.000 0.980 246 D HN 0.850 nan 8.370 nan 0.000 0.509 247 G N 1.125 109.881 108.800 -0.073 0.000 2.229 247 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.189 247 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.189 247 G C 0.824 175.703 174.900 -0.035 0.000 1.000 247 G CA 0.221 45.297 45.100 -0.039 0.000 0.663 247 G HN 0.410 nan 8.290 nan 0.000 0.493 248 K N 0.158 120.494 120.400 -0.107 0.000 2.438 248 K HA 0.295 4.615 4.320 -0.000 0.000 0.205 248 K C 0.229 176.889 176.600 0.101 0.000 1.033 248 K CA -0.256 55.994 56.287 -0.061 0.000 1.089 248 K CB 0.236 32.656 32.500 -0.132 0.000 0.857 248 K HN 0.297 nan 8.250 nan 0.000 0.522 249 H N 0.534 119.634 119.070 0.050 0.000 2.591 249 H HA 0.239 4.795 4.556 -0.000 0.000 0.241 249 H C -1.191 174.211 175.328 0.123 0.000 1.292 249 H CA -0.849 55.236 56.048 0.062 0.000 1.022 249 H CB 0.104 29.914 29.762 0.080 0.000 1.875 249 H HN 0.103 nan 8.280 nan 0.000 0.570 250 D N 0.648 121.176 120.400 0.214 0.000 2.264 250 D HA 0.096 4.736 4.640 -0.000 0.000 0.250 250 D C 0.077 176.496 176.300 0.198 0.000 1.113 250 D CA -0.169 53.969 54.000 0.231 0.000 0.871 250 D CB 1.290 42.187 40.800 0.162 0.000 1.167 250 D HN 0.034 nan 8.370 nan 0.000 0.447 251 F N 2.324 122.330 119.950 0.093 0.000 2.424 251 F HA 0.300 4.827 4.527 -0.000 0.000 0.356 251 F C 0.989 176.811 175.800 0.036 0.000 1.110 251 F CA -0.228 57.806 58.000 0.056 0.000 1.161 251 F CB 0.716 39.756 39.000 0.066 0.000 1.115 251 F HN -0.124 nan 8.300 nan 0.000 0.507 252 R N 3.793 124.385 120.500 0.154 0.000 2.604 252 R HA 0.479 4.819 4.340 -0.000 0.000 0.281 252 R C -1.694 174.743 176.300 0.229 0.000 1.020 252 R CA -1.116 55.091 56.100 0.177 0.000 0.899 252 R CB 2.156 32.587 30.300 0.219 0.000 1.205 252 R HN 0.447 nan 8.270 nan 0.000 0.450 253 L N 2.113 123.432 121.223 0.160 0.000 2.264 253 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 253 L C 0.710 177.800 176.870 0.365 0.000 1.044 253 L CA -0.082 54.866 54.840 0.180 0.000 0.807 253 L CB 0.584 42.657 42.059 0.023 0.000 1.192 253 L HN 0.572 nan 8.230 nan 0.000 0.425 254 W N 0.736 122.098 121.300 0.102 0.000 2.905 254 W HA 0.065 4.725 4.660 0.000 0.000 0.251 254 W C 0.514 177.174 176.519 0.235 0.000 1.305 254 W CA -0.578 56.946 57.345 0.299 0.000 1.465 254 W CB -1.036 28.658 29.460 0.390 0.000 1.122 254 W HN 0.498 nan 8.180 nan 0.000 0.659 255 N N -0.371 118.419 118.700 0.151 0.000 2.503 255 N HA 0.075 4.815 4.740 -0.000 0.000 0.267 255 N C 1.211 176.548 175.510 -0.290 0.000 1.214 255 N CA 0.498 53.308 53.050 -0.401 0.000 0.959 255 N CB 0.820 39.168 38.487 -0.233 0.000 1.142 255 N HN -0.243 nan 8.380 nan 0.000 0.455 256 S N 0.323 115.785 115.700 -0.397 0.000 2.355 256 S HA -0.147 4.323 4.470 -0.000 0.000 0.222 256 S C 0.430 174.916 174.600 -0.190 0.000 1.031 256 S CA 0.935 59.012 58.200 -0.205 0.000 0.993 256 S CB -0.475 62.630 63.200 -0.158 0.000 0.859 256 S HN 0.799 nan 8.310 nan 0.000 0.453 257 Q N -0.796 118.879 119.800 -0.209 0.000 2.456 257 Q HA 0.542 4.882 4.340 -0.000 0.000 0.284 257 Q C -0.111 175.768 176.000 -0.201 0.000 1.061 257 Q CA -0.968 54.720 55.803 -0.192 0.000 0.799 257 Q CB 0.952 29.617 28.738 -0.123 0.000 1.445 257 Q HN -0.081 nan 8.270 nan 0.000 0.411 258 L N 0.702 121.825 121.223 -0.166 0.000 1.965 258 L HA -0.106 4.234 4.340 -0.000 0.000 0.226 258 L C 0.810 177.550 176.870 -0.216 0.000 1.083 258 L CA 1.973 56.737 54.840 -0.125 0.000 0.790 258 L CB -0.535 41.498 42.059 -0.044 0.000 0.898 258 L HN 0.693 nan 8.230 nan 0.000 0.439 259 I N -1.369 118.984 120.570 -0.361 0.000 2.359 259 I HA 0.418 4.588 4.170 -0.000 0.000 0.294 259 I C -0.007 175.475 176.117 -1.059 0.000 0.987 259 I CA -0.145 60.760 61.300 -0.658 0.000 1.225 259 I CB 1.429 38.976 38.000 -0.755 0.000 1.366 259 I HN 0.097 nan 8.210 nan 0.000 0.466 260 R N 4.648 124.624 120.500 -0.874 0.000 2.563 260 R HA 0.399 4.739 4.340 -0.000 0.000 0.262 260 R C -1.787 174.279 176.300 -0.390 0.000 1.128 260 R CA -0.647 55.075 56.100 -0.631 0.000 0.969 260 R CB 0.727 30.856 30.300 -0.285 0.000 1.251 260 R HN 0.312 nan 8.270 nan 0.000 0.442 261 Y N 1.630 121.923 120.300 -0.012 0.000 2.357 261 Y HA 0.510 5.060 4.550 -0.000 0.000 0.340 261 Y C 1.028 176.931 175.900 0.004 0.000 1.260 261 Y CA 0.243 58.375 58.100 0.052 0.000 1.425 261 Y CB 0.764 39.330 38.460 0.177 0.000 1.326 261 Y HN 0.713 nan 8.280 nan 0.000 0.580 262 A N 0.694 123.604 122.820 0.149 0.000 2.293 262 A HA 0.727 5.047 4.320 -0.000 0.000 0.302 262 A C 0.260 177.633 177.584 -0.350 0.000 1.119 262 A CA 0.032 51.976 52.037 -0.154 0.000 0.823 262 A CB 0.155 19.023 19.000 -0.219 0.000 1.097 262 A HN 0.891 nan 8.150 nan 0.000 0.491 263 G N 0.192 108.711 108.800 -0.469 0.000 2.626 263 G HA2 0.583 4.543 3.960 -0.000 0.000 0.304 263 G HA3 0.583 4.543 3.960 -0.000 0.000 0.304 263 G C -1.332 173.325 174.900 -0.404 0.000 1.385 263 G CA -0.252 44.627 45.100 -0.368 0.000 0.957 263 G HN 0.529 nan 8.290 nan 0.000 0.504 264 Y N 0.281 120.622 120.300 0.067 0.000 2.409 264 Y HA 0.472 5.022 4.550 -0.000 0.000 0.343 264 Y C 0.427 176.388 175.900 0.102 0.000 0.973 264 Y CA -1.078 57.084 58.100 0.103 0.000 1.064 264 Y CB 2.445 41.006 38.460 0.169 0.000 1.207 264 Y HN 0.498 nan 8.280 nan 0.000 0.452 265 Q N 4.303 124.249 119.800 0.243 0.000 2.423 265 Q HA 0.309 4.649 4.340 -0.000 0.000 0.235 265 Q C -0.582 175.515 176.000 0.162 0.000 1.100 265 Q CA -0.235 55.663 55.803 0.158 0.000 0.908 265 Q CB 0.348 29.152 28.738 0.110 0.000 1.312 265 Q HN 0.703 nan 8.270 nan 0.000 0.497 266 M N 4.535 124.223 119.600 0.147 0.000 2.219 266 M HA 0.029 4.509 4.480 -0.000 0.000 0.307 266 M C -1.165 175.158 176.300 0.039 0.000 1.116 266 M CA -1.158 54.196 55.300 0.089 0.000 1.181 266 M CB 0.203 32.845 32.600 0.069 0.000 1.410 266 M HN 0.525 nan 8.290 nan 0.000 0.454 267 P HA -0.200 nan 4.420 nan 0.000 0.216 267 P C 0.276 177.573 177.300 -0.005 0.000 1.153 267 P CA 1.643 64.733 63.100 -0.017 0.000 0.858 267 P CB -0.400 31.268 31.700 -0.054 0.000 0.789 268 D N -1.106 119.291 120.400 -0.006 0.000 2.395 268 D HA 0.046 4.686 4.640 -0.000 0.000 0.250 268 D C 1.325 177.632 176.300 0.012 0.000 1.203 268 D CA 0.630 54.630 54.000 0.000 0.000 0.872 268 D CB -0.831 39.967 40.800 -0.003 0.000 0.941 268 D HN 0.301 nan 8.370 nan 0.000 0.504 269 G N 1.014 109.825 108.800 0.019 0.000 2.328 269 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.256 269 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.256 269 G C 0.810 175.730 174.900 0.033 0.000 1.014 269 G CA 0.969 46.084 45.100 0.025 0.000 0.620 269 G HN 0.698 nan 8.290 nan 0.000 0.530 270 T N -0.961 113.614 114.554 0.034 0.000 2.773 270 T HA 0.624 4.974 4.350 -0.000 0.000 0.337 270 T C 0.487 175.219 174.700 0.053 0.000 1.086 270 T CA 0.380 62.504 62.100 0.039 0.000 0.998 270 T CB 1.192 70.082 68.868 0.036 0.000 1.281 270 T HN 0.812 nan 8.240 nan 0.000 0.525 271 I N 0.233 120.834 120.570 0.051 0.000 2.586 271 I HA 0.389 4.559 4.170 -0.000 0.000 0.288 271 I C -0.165 175.979 176.117 0.044 0.000 1.147 271 I CA -0.770 60.564 61.300 0.056 0.000 1.047 271 I CB 2.177 40.193 38.000 0.026 0.000 1.244 271 I HN 0.547 nan 8.210 nan 0.000 0.429 272 R N 3.302 123.864 120.500 0.102 0.000 2.604 272 R HA 0.805 5.145 4.340 -0.000 0.000 0.287 272 R C 0.353 176.678 176.300 0.041 0.000 0.970 272 R CA -0.017 56.141 56.100 0.097 0.000 0.946 272 R CB 1.983 32.399 30.300 0.193 0.000 1.127 272 R HN 0.903 nan 8.270 nan 0.000 0.473 273 G N 1.704 110.453 108.800 -0.085 0.000 2.568 273 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.222 273 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.222 273 G C -1.056 173.481 174.900 -0.605 0.000 1.321 273 G CA -0.327 44.657 45.100 -0.194 0.000 0.893 273 G HN 0.606 nan 8.290 nan 0.000 0.569 274 D N 1.525 121.722 120.400 -0.339 0.000 2.374 274 D HA 0.555 5.195 4.640 -0.000 0.000 0.240 274 D C 1.565 177.777 176.300 -0.147 0.000 1.229 274 D CA 0.864 54.697 54.000 -0.280 0.000 0.895 274 D CB 0.602 41.561 40.800 0.266 0.000 1.046 274 D HN 0.983 nan 8.370 nan 0.000 0.498 275 A N 3.807 126.517 122.820 -0.183 0.000 2.084 275 A HA -0.131 4.189 4.320 -0.000 0.000 0.221 275 A C 2.062 179.659 177.584 0.021 0.000 1.161 275 A CA 1.773 53.774 52.037 -0.060 0.000 0.653 275 A CB -0.236 18.739 19.000 -0.041 0.000 0.802 275 A HN 0.608 nan 8.150 nan 0.000 0.457 276 A N -0.378 122.476 122.820 0.057 0.000 1.968 276 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 276 A C 1.959 179.604 177.584 0.102 0.000 1.169 276 A CA 1.798 53.898 52.037 0.106 0.000 0.638 276 A CB -0.911 18.170 19.000 0.136 0.000 0.812 276 A HN 0.811 nan 8.150 nan 0.000 0.446 277 T N -2.277 112.322 114.554 0.074 0.000 3.268 277 T HA 0.489 4.839 4.350 -0.000 0.000 0.244 277 T C 1.062 175.789 174.700 0.046 0.000 0.915 277 T CA -0.194 61.947 62.100 0.068 0.000 0.935 277 T CB -0.252 68.645 68.868 0.049 0.000 1.110 277 T HN 0.239 nan 8.240 nan 0.000 0.573 278 L N 0.226 121.479 121.223 0.049 0.000 1.993 278 L HA 0.062 4.402 4.340 -0.000 0.000 0.206 278 L C 2.930 179.820 176.870 0.034 0.000 1.074 278 L CA 1.551 56.407 54.840 0.027 0.000 0.746 278 L CB -0.322 41.765 42.059 0.047 0.000 0.896 278 L HN 0.429 nan 8.230 nan 0.000 0.435 279 E N -0.285 119.956 120.200 0.068 0.000 2.070 279 E HA -0.320 4.030 4.350 -0.000 0.000 0.197 279 E C 2.126 178.687 176.600 -0.064 0.000 1.004 279 E CA 1.809 58.232 56.400 0.040 0.000 0.805 279 E CB -0.190 29.586 29.700 0.126 0.000 0.744 279 E HN 0.353 nan 8.360 nan 0.000 0.451 280 F N 1.104 120.918 119.950 -0.227 0.000 2.134 280 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 280 F C 2.345 177.977 175.800 -0.281 0.000 1.097 280 F CA 1.886 59.661 58.000 -0.376 0.000 1.264 280 F CB -0.532 38.285 39.000 -0.305 0.000 1.001 280 F HN -0.018 nan 8.300 nan 0.000 0.479 281 T N -0.199 114.287 114.554 -0.113 0.000 2.684 281 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 281 T C 1.763 176.370 174.700 -0.155 0.000 1.036 281 T CA 1.717 63.703 62.100 -0.189 0.000 1.148 281 T CB -0.392 68.391 68.868 -0.142 0.000 0.863 281 T HN 0.308 nan 8.240 nan 0.000 0.436 282 Q N 0.599 120.339 119.800 -0.100 0.000 2.135 282 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 282 Q C 2.070 177.986 176.000 -0.140 0.000 0.981 282 Q CA 1.352 57.120 55.803 -0.059 0.000 0.856 282 Q CB -0.718 27.999 28.738 -0.035 0.000 0.902 282 Q HN 0.420 nan 8.270 nan 0.000 0.425 283 L N -0.470 120.578 121.223 -0.290 0.000 2.017 283 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 283 L C 2.230 178.892 176.870 -0.346 0.000 1.073 283 L CA 1.810 56.438 54.840 -0.355 0.000 0.745 283 L CB -0.908 40.802 42.059 -0.582 0.000 0.894 283 L HN 0.435 nan 8.230 nan 0.000 0.432 284 C N -0.665 118.337 119.300 -0.496 0.000 2.429 284 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 284 C C 2.699 177.679 174.990 -0.018 0.000 1.262 284 C CA 0.400 59.185 59.018 -0.388 0.000 1.733 284 C CB -0.952 26.386 27.740 -0.670 0.000 2.010 284 C HN 0.527 nan 8.230 nan 0.000 0.483 285 I N 1.386 121.995 120.570 0.065 0.000 2.179 285 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 285 I C 2.088 178.225 176.117 0.033 0.000 1.088 285 I CA 1.845 63.222 61.300 0.128 0.000 1.357 285 I CB -1.485 36.580 38.000 0.110 0.000 1.051 285 I HN 0.352 nan 8.210 nan 0.000 0.409 286 D N 0.744 121.127 120.400 -0.028 0.000 2.221 286 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 286 D C 1.689 177.962 176.300 -0.045 0.000 0.982 286 D CA 0.887 54.856 54.000 -0.051 0.000 0.857 286 D CB -0.086 40.660 40.800 -0.091 0.000 0.934 286 D HN 0.338 nan 8.370 nan 0.000 0.475 287 L N -0.244 120.953 121.223 -0.043 0.000 2.851 287 L HA 0.296 4.636 4.340 -0.000 0.000 0.237 287 L C 1.034 177.897 176.870 -0.012 0.000 1.257 287 L CA -0.244 54.576 54.840 -0.034 0.000 1.061 287 L CB -0.280 41.727 42.059 -0.087 0.000 1.372 287 L HN -0.022 nan 8.230 nan 0.000 0.493 288 G N -0.233 108.573 108.800 0.010 0.000 2.273 288 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.280 288 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.280 288 G C -0.269 174.669 174.900 0.063 0.000 1.047 288 G CA -0.048 45.063 45.100 0.018 0.000 0.869 288 G HN 0.543 nan 8.290 nan 0.000 0.502 289 W N 0.940 122.180 121.300 -0.099 0.000 2.316 289 W HA 0.658 5.318 4.660 -0.000 0.000 0.321 289 W C 0.243 176.724 176.519 -0.063 0.000 1.203 289 W CA -1.341 55.948 57.345 -0.093 0.000 1.214 289 W CB 0.770 30.158 29.460 -0.120 0.000 1.169 289 W HN -0.020 nan 8.180 nan 0.000 0.561 290 K N 7.633 127.536 120.400 -0.829 0.000 2.292 290 K HA 0.167 4.487 4.320 -0.000 0.000 0.290 290 K C -2.319 173.512 176.600 -1.281 0.000 1.083 290 K CA -1.882 53.934 56.287 -0.785 0.000 0.918 290 K CB 0.071 32.264 32.500 -0.511 0.000 1.089 290 K HN 0.317 nan 8.250 nan 0.000 0.473 291 P HA 0.147 nan 4.420 nan 0.000 0.268 291 P C 0.214 177.054 177.300 -0.766 0.000 1.282 291 P CA -0.101 62.439 63.100 -0.934 0.000 0.880 291 P CB 0.427 31.598 31.700 -0.882 0.000 0.971 292 R N 2.796 122.951 120.500 -0.576 0.000 2.323 292 R HA -0.011 4.329 4.340 -0.000 0.000 0.198 292 R C 0.015 176.226 176.300 -0.148 0.000 0.988 292 R CA -0.183 55.776 56.100 -0.236 0.000 1.041 292 R CB -0.762 29.492 30.300 -0.076 0.000 0.926 292 R HN 0.349 nan 8.270 nan 0.000 0.476 293 Y N -1.227 118.760 120.300 -0.522 0.000 2.976 293 Y HA -0.300 4.250 4.550 -0.000 0.000 0.204 293 Y C 0.610 176.411 175.900 -0.165 0.000 1.257 293 Y CA 0.661 58.348 58.100 -0.689 0.000 0.856 293 Y CB -1.585 36.568 38.460 -0.512 0.000 1.222 293 Y HN 0.289 nan 8.280 nan 0.000 0.442 294 G N -0.193 108.744 108.800 0.228 0.000 3.211 294 G HA2 0.630 4.590 3.960 -0.000 0.000 0.262 294 G HA3 0.630 4.590 3.960 -0.000 0.000 0.262 294 G C 0.395 175.447 174.900 0.254 0.000 1.352 294 G CA -1.019 44.219 45.100 0.231 0.000 1.004 294 G HN 0.218 nan 8.290 nan 0.000 0.559 295 R N -1.442 119.120 120.500 0.104 0.000 2.265 295 R HA 0.229 4.569 4.340 -0.000 0.000 0.194 295 R C -0.191 175.785 176.300 -0.540 0.000 0.931 295 R CA 0.553 56.561 56.100 -0.154 0.000 1.032 295 R CB 0.239 30.391 30.300 -0.247 0.000 0.980 295 R HN 0.308 nan 8.270 nan 0.000 0.497 296 F N 0.841 120.772 119.950 -0.031 0.000 2.576 296 F HA 0.251 4.778 4.527 -0.000 0.000 0.365 296 F C -0.831 174.995 175.800 0.043 0.000 1.506 296 F CA -1.117 56.623 58.000 -0.434 0.000 1.113 296 F CB 0.727 39.342 39.000 -0.641 0.000 1.293 296 F HN -0.274 nan 8.300 nan 0.000 0.540 297 D N 1.689 122.313 120.400 0.373 0.000 2.347 297 D HA 0.191 4.831 4.640 -0.000 0.000 0.235 297 D C 0.214 176.805 176.300 0.484 0.000 1.149 297 D CA 0.064 54.330 54.000 0.444 0.000 0.850 297 D CB 2.081 43.178 40.800 0.496 0.000 1.061 297 D HN -0.067 nan 8.370 nan 0.000 0.487 298 V N 3.895 124.061 119.914 0.420 0.000 2.493 298 V HA -0.055 4.065 4.120 -0.000 0.000 0.292 298 V C 1.129 177.294 176.094 0.118 0.000 1.016 298 V CA -0.078 62.335 62.300 0.189 0.000 1.097 298 V CB -0.007 31.870 31.823 0.091 0.000 0.947 298 V HN 0.357 nan 8.190 nan 0.000 0.479 299 L N 8.385 129.568 121.223 -0.066 0.000 2.473 299 L HA 0.290 4.630 4.340 -0.000 0.000 0.268 299 L C -1.680 175.016 176.870 -0.290 0.000 1.215 299 L CA -1.264 53.395 54.840 -0.300 0.000 0.823 299 L CB 0.552 42.482 42.059 -0.215 0.000 1.099 299 L HN 0.480 nan 8.230 nan 0.000 0.483 300 P HA 0.113 nan 4.420 nan 0.000 0.281 300 P C -0.963 176.212 177.300 -0.209 0.000 1.249 300 P CA -0.679 62.204 63.100 -0.361 0.000 0.810 300 P CB 1.247 32.567 31.700 -0.634 0.000 1.008 301 L N 3.169 124.310 121.223 -0.136 0.000 2.385 301 L HA 0.099 4.439 4.340 -0.000 0.000 0.281 301 L C 0.041 176.848 176.870 -0.105 0.000 1.106 301 L CA -0.006 54.795 54.840 -0.066 0.000 0.856 301 L CB 0.140 42.170 42.059 -0.047 0.000 1.186 301 L HN 0.105 nan 8.230 nan 0.000 0.453 302 V N 6.649 126.540 119.914 -0.038 0.000 2.304 302 V HA 0.276 4.396 4.120 -0.000 0.000 0.262 302 V C 0.053 176.040 176.094 -0.178 0.000 1.061 302 V CA -0.599 61.596 62.300 -0.175 0.000 0.872 302 V CB 0.876 32.634 31.823 -0.109 0.000 1.077 302 V HN 0.373 nan 8.190 nan 0.000 0.480 303 L N 5.127 126.216 121.223 -0.224 0.000 2.331 303 L HA 0.652 4.992 4.340 -0.000 0.000 0.275 303 L C -0.015 176.682 176.870 -0.288 0.000 1.022 303 L CA -0.268 54.484 54.840 -0.146 0.000 0.812 303 L CB 1.871 43.971 42.059 0.068 0.000 1.257 303 L HN 0.834 nan 8.230 nan 0.000 0.435 304 Q N 1.681 121.350 119.800 -0.220 0.000 2.274 304 Q HA 0.881 5.221 4.340 -0.000 0.000 0.268 304 Q C -1.470 174.378 176.000 -0.253 0.000 1.015 304 Q CA -0.744 54.906 55.803 -0.254 0.000 0.775 304 Q CB 1.956 30.548 28.738 -0.244 0.000 1.256 304 Q HN 0.655 nan 8.270 nan 0.000 0.442 305 A N 2.597 125.202 122.820 -0.359 0.000 2.294 305 A HA 0.647 4.967 4.320 -0.000 0.000 0.330 305 A C 0.050 177.154 177.584 -0.800 0.000 1.133 305 A CA 0.118 51.673 52.037 -0.805 0.000 0.836 305 A CB 0.704 19.415 19.000 -0.482 0.000 1.190 305 A HN 1.001 nan 8.150 nan 0.000 0.492 306 D N 0.232 119.837 120.400 -1.325 0.000 4.317 306 D HA -0.263 4.377 4.640 -0.000 0.000 0.206 306 D C 1.265 177.443 176.300 -0.204 0.000 0.647 306 D CA 3.213 56.911 54.000 -0.503 0.000 1.051 306 D CB -1.201 39.400 40.800 -0.331 0.000 0.501 306 D HN 1.012 nan 8.370 nan 0.000 0.419 307 G N -0.760 107.969 108.800 -0.119 0.000 2.797 307 G HA2 0.207 4.167 3.960 -0.000 0.000 0.209 307 G HA3 0.207 4.167 3.960 -0.000 0.000 0.209 307 G C -0.030 174.883 174.900 0.022 0.000 1.080 307 G CA 0.170 45.297 45.100 0.045 0.000 0.897 307 G HN 0.323 nan 8.290 nan 0.000 0.641 308 Q N 1.856 121.605 119.800 -0.084 0.000 2.354 308 Q HA 0.213 4.553 4.340 -0.000 0.000 0.310 308 Q C -0.283 175.651 176.000 -0.109 0.000 1.104 308 Q CA 0.296 56.037 55.803 -0.102 0.000 0.968 308 Q CB 0.469 29.129 28.738 -0.130 0.000 1.251 308 Q HN 0.230 nan 8.270 nan 0.000 0.411 309 D N 2.889 123.193 120.400 -0.160 0.000 2.406 309 D HA 0.005 4.645 4.640 -0.000 0.000 0.234 309 D C -2.171 173.853 176.300 -0.459 0.000 1.196 309 D CA -0.641 53.164 54.000 -0.325 0.000 0.881 309 D CB -0.066 40.434 40.800 -0.500 0.000 1.205 309 D HN 0.330 nan 8.370 nan 0.000 0.453 310 P HA 0.050 nan 4.420 nan 0.000 0.271 310 P C -0.830 176.122 177.300 -0.580 0.000 1.226 310 P CA 0.063 62.674 63.100 -0.816 0.000 0.765 310 P CB 0.532 31.375 31.700 -1.428 0.000 0.835 311 E N 1.923 121.807 120.200 -0.528 0.000 2.134 311 E HA 0.272 4.622 4.350 -0.000 0.000 0.278 311 E C -0.321 175.710 176.600 -0.948 0.000 0.959 311 E CA -1.031 54.976 56.400 -0.656 0.000 0.783 311 E CB 1.395 30.740 29.700 -0.591 0.000 1.095 311 E HN 0.239 nan 8.360 nan 0.000 0.399 312 V N 4.695 124.126 119.914 -0.804 0.000 2.508 312 V HA 0.164 4.284 4.120 -0.000 0.000 0.281 312 V C -0.463 175.122 176.094 -0.848 0.000 1.041 312 V CA 0.111 62.013 62.300 -0.662 0.000 1.016 312 V CB -0.438 31.167 31.823 -0.363 0.000 0.984 312 V HN 0.478 nan 8.190 nan 0.000 0.478 313 F N 2.345 122.080 119.950 -0.359 0.000 2.547 313 F HA 0.462 4.989 4.527 -0.000 0.000 0.316 313 F C 0.193 175.739 175.800 -0.423 0.000 1.121 313 F CA -0.991 56.680 58.000 -0.548 0.000 0.911 313 F CB 1.714 39.946 39.000 -1.280 0.000 1.179 313 F HN 0.487 nan 8.300 nan 0.000 0.443 314 E N 3.424 123.627 120.200 0.005 0.000 2.283 314 E HA 0.463 4.813 4.350 -0.000 0.000 0.278 314 E C -0.683 176.024 176.600 0.179 0.000 1.027 314 E CA -0.473 55.995 56.400 0.114 0.000 0.843 314 E CB 0.908 30.745 29.700 0.228 0.000 1.062 314 E HN 0.539 nan 8.360 nan 0.000 0.401 315 I N 5.799 126.473 120.570 0.175 0.000 2.441 315 I HA 0.158 4.328 4.170 -0.000 0.000 0.287 315 I C -1.971 174.271 176.117 0.208 0.000 1.049 315 I CA -2.127 59.320 61.300 0.245 0.000 1.381 315 I CB 0.746 38.835 38.000 0.148 0.000 1.409 315 I HN 0.395 nan 8.210 nan 0.000 0.523 316 P HA 0.082 nan 4.420 nan 0.000 0.264 316 P C -2.019 175.339 177.300 0.097 0.000 1.229 316 P CA -0.856 62.322 63.100 0.132 0.000 0.780 316 P CB 0.184 31.934 31.700 0.084 0.000 0.808 317 P HA -0.225 nan 4.420 nan 0.000 0.218 317 P C 0.825 178.159 177.300 0.057 0.000 1.146 317 P CA 1.405 64.553 63.100 0.080 0.000 0.820 317 P CB 0.001 31.750 31.700 0.081 0.000 0.778 318 D N -1.263 119.165 120.400 0.046 0.000 2.264 318 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 318 D C 1.844 178.159 176.300 0.025 0.000 0.966 318 D CA 0.903 54.920 54.000 0.029 0.000 0.864 318 D CB -0.141 40.670 40.800 0.020 0.000 0.933 318 D HN 0.270 nan 8.370 nan 0.000 0.499 319 L N 0.477 121.719 121.223 0.033 0.000 2.270 319 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 319 L C 0.772 177.660 176.870 0.030 0.000 1.104 319 L CA 0.233 55.091 54.840 0.029 0.000 0.804 319 L CB 0.278 42.359 42.059 0.037 0.000 0.937 319 L HN -0.218 nan 8.230 nan 0.000 0.450 320 V N 2.667 122.603 119.914 0.036 0.000 2.352 320 V HA 0.046 4.166 4.120 -0.000 0.000 0.253 320 V C 0.139 176.258 176.094 0.041 0.000 1.083 320 V CA -0.287 62.031 62.300 0.031 0.000 0.993 320 V CB 0.501 32.342 31.823 0.031 0.000 1.111 320 V HN 0.065 nan 8.190 nan 0.000 0.490 321 L N 6.045 127.292 121.223 0.041 0.000 2.349 321 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 321 L C 0.101 176.998 176.870 0.046 0.000 1.115 321 L CA 0.583 55.440 54.840 0.028 0.000 0.820 321 L CB 0.784 42.853 42.059 0.016 0.000 1.135 321 L HN 0.681 nan 8.230 nan 0.000 0.445 322 E N 3.082 123.285 120.200 0.005 0.000 2.410 322 E HA 0.627 4.977 4.350 -0.000 0.000 0.269 322 E C -1.585 174.941 176.600 -0.123 0.000 0.937 322 E CA -1.076 55.321 56.400 -0.006 0.000 0.793 322 E CB 2.434 32.156 29.700 0.036 0.000 1.314 322 E HN 0.365 nan 8.360 nan 0.000 0.447 323 V N 1.433 121.238 119.914 -0.182 0.000 2.483 323 V HA 0.270 4.390 4.120 -0.000 0.000 0.297 323 V C -0.272 175.737 176.094 -0.141 0.000 1.027 323 V CA -0.821 61.307 62.300 -0.287 0.000 0.855 323 V CB 1.663 33.057 31.823 -0.715 0.000 0.995 323 V HN 0.841 nan 8.190 nan 0.000 0.424 324 T N 3.601 118.086 114.554 -0.114 0.000 2.780 324 T HA 0.498 4.848 4.350 -0.000 0.000 0.294 324 T C -0.031 174.672 174.700 0.005 0.000 0.949 324 T CA -0.770 61.286 62.100 -0.075 0.000 1.074 324 T CB 0.707 69.531 68.868 -0.074 0.000 0.910 324 T HN 0.305 nan 8.240 nan 0.000 0.501 325 M N 4.106 123.749 119.600 0.071 0.000 2.217 325 M HA 0.257 4.737 4.480 -0.000 0.000 0.352 325 M C 0.464 176.946 176.300 0.304 0.000 1.376 325 M CA 0.120 55.562 55.300 0.237 0.000 1.107 325 M CB -0.494 32.329 32.600 0.373 0.000 1.723 325 M HN 0.936 nan 8.290 nan 0.000 0.461 326 E N 1.978 122.380 120.200 0.338 0.000 2.311 326 E HA 0.293 4.643 4.350 -0.000 0.000 0.281 326 E C -1.132 175.610 176.600 0.236 0.000 0.905 326 E CA -0.805 55.805 56.400 0.351 0.000 0.778 326 E CB 1.425 31.244 29.700 0.198 0.000 1.240 326 E HN 0.602 nan 8.360 nan 0.000 0.410 327 H N 4.434 123.480 119.070 -0.040 0.000 2.652 327 H HA 0.139 4.695 4.556 -0.000 0.000 0.349 327 H C -1.506 173.700 175.328 -0.203 0.000 1.099 327 H CA -1.647 54.213 56.048 -0.314 0.000 1.417 327 H CB 1.583 30.982 29.762 -0.606 0.000 1.457 327 H HN 0.493 nan 8.280 nan 0.000 0.568 328 P HA -0.018 nan 4.420 nan 0.000 0.237 328 P C 0.379 177.669 177.300 -0.016 0.000 1.178 328 P CA 0.928 63.743 63.100 -0.475 0.000 0.766 328 P CB 0.757 31.914 31.700 -0.905 0.000 0.876 329 K N -2.146 118.455 120.400 0.336 0.000 2.556 329 K HA 0.167 4.487 4.320 -0.000 0.000 0.201 329 K C 0.078 176.674 176.600 -0.007 0.000 1.423 329 K CA 0.288 56.663 56.287 0.147 0.000 1.010 329 K CB 0.172 32.765 32.500 0.155 0.000 1.409 329 K HN -0.101 nan 8.250 nan 0.000 0.538 330 Y N 2.831 122.900 120.300 -0.385 0.000 2.636 330 Y HA 0.181 4.731 4.550 -0.000 0.000 0.334 330 Y C 0.577 176.143 175.900 -0.556 0.000 1.286 330 Y CA -0.518 57.176 58.100 -0.677 0.000 1.688 330 Y CB -0.251 37.397 38.460 -1.352 0.000 1.662 330 Y HN 0.091 nan 8.280 nan 0.000 0.465 331 E N 1.458 121.605 120.200 -0.090 0.000 2.339 331 E HA -0.239 4.111 4.350 -0.000 0.000 0.201 331 E C 1.300 177.956 176.600 0.093 0.000 1.015 331 E CA 1.348 57.764 56.400 0.027 0.000 0.841 331 E CB -0.092 29.650 29.700 0.070 0.000 0.754 331 E HN 0.875 nan 8.360 nan 0.000 0.508 332 W N -0.570 120.831 121.300 0.169 0.000 2.937 332 W HA 0.003 4.663 4.660 -0.000 0.000 0.245 332 W C 1.305 177.923 176.519 0.166 0.000 1.306 332 W CA -0.319 57.107 57.345 0.136 0.000 1.470 332 W CB -0.706 28.821 29.460 0.112 0.000 1.132 332 W HN -0.058 nan 8.180 nan 0.000 0.675 333 F N 3.505 123.244 119.950 -0.351 0.000 2.234 333 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 333 F C 2.844 178.628 175.800 -0.027 0.000 1.087 333 F CA 2.654 60.467 58.000 -0.311 0.000 1.340 333 F CB -0.358 38.350 39.000 -0.486 0.000 1.031 333 F HN 0.004 nan 8.300 nan 0.000 0.500 334 Q N -0.315 119.536 119.800 0.085 0.000 2.369 334 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 334 Q C 1.434 177.428 176.000 -0.009 0.000 0.963 334 Q CA 1.532 57.351 55.803 0.028 0.000 0.894 334 Q CB -0.747 28.037 28.738 0.075 0.000 0.965 334 Q HN 0.482 nan 8.270 nan 0.000 0.475 335 E N 0.422 120.651 120.200 0.049 0.000 2.409 335 E HA -0.101 4.249 4.350 -0.000 0.000 0.198 335 E C 1.128 177.735 176.600 0.011 0.000 1.024 335 E CA 0.324 56.761 56.400 0.062 0.000 0.861 335 E CB 0.101 29.883 29.700 0.137 0.000 0.788 335 E HN 0.314 nan 8.360 nan 0.000 0.521 336 L N -0.340 120.833 121.223 -0.082 0.000 2.478 336 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 336 L C 1.415 178.226 176.870 -0.099 0.000 1.140 336 L CA 1.016 55.773 54.840 -0.138 0.000 0.842 336 L CB -0.608 41.224 42.059 -0.378 0.000 0.953 336 L HN 0.159 nan 8.230 nan 0.000 0.452 337 G N 0.193 108.942 108.800 -0.086 0.000 2.338 337 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.296 337 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.296 337 G C -0.112 174.757 174.900 -0.052 0.000 1.040 337 G CA -0.001 45.075 45.100 -0.040 0.000 1.004 337 G HN 0.131 nan 8.290 nan 0.000 0.509 338 L N -0.125 120.997 121.223 -0.168 0.000 2.334 338 L HA 0.917 5.257 4.340 -0.000 0.000 0.275 338 L C 0.444 177.143 176.870 -0.285 0.000 1.036 338 L CA -0.471 54.237 54.840 -0.220 0.000 0.807 338 L CB 1.675 43.516 42.059 -0.364 0.000 1.231 338 L HN 0.659 nan 8.230 nan 0.000 0.438 339 K N 1.275 121.397 120.400 -0.464 0.000 2.617 339 K HA 0.544 4.864 4.320 -0.000 0.000 0.293 339 K C -1.910 174.728 176.600 0.063 0.000 1.034 339 K CA -1.022 55.105 56.287 -0.266 0.000 0.884 339 K CB 1.731 33.949 32.500 -0.470 0.000 1.541 339 K HN 0.499 nan 8.250 nan 0.000 0.409 340 W N 1.755 123.045 121.300 -0.017 0.000 3.275 340 W HA 0.302 4.962 4.660 -0.000 0.000 0.306 340 W C -1.367 175.212 176.519 0.101 0.000 1.259 340 W CA -0.780 56.649 57.345 0.141 0.000 1.194 340 W CB 1.335 30.743 29.460 -0.086 0.000 1.375 340 W HN 0.685 nan 8.180 nan 0.000 0.564 341 Y N 1.388 121.562 120.300 -0.211 0.000 2.480 341 Y HA 0.453 5.003 4.550 -0.000 0.000 0.338 341 Y C 0.841 176.906 175.900 0.275 0.000 1.220 341 Y CA 0.348 58.412 58.100 -0.059 0.000 1.430 341 Y CB 0.110 38.415 38.460 -0.258 0.000 1.311 341 Y HN 0.343 nan 8.280 nan 0.000 0.575 342 A N 2.584 125.631 122.820 0.378 0.000 2.178 342 A HA 0.164 4.484 4.320 -0.000 0.000 0.211 342 A C 0.216 178.142 177.584 0.570 0.000 1.157 342 A CA 0.072 52.391 52.037 0.469 0.000 0.780 342 A CB -0.219 18.898 19.000 0.195 0.000 0.828 342 A HN 0.634 nan 8.150 nan 0.000 0.476 343 L N 1.683 123.209 121.223 0.504 0.000 2.276 343 L HA 0.453 4.793 4.340 -0.000 0.000 0.286 343 L C -2.636 174.389 176.870 0.259 0.000 1.024 343 L CA -2.184 52.836 54.840 0.300 0.000 0.826 343 L CB 1.822 43.963 42.059 0.136 0.000 1.211 343 L HN -0.073 nan 8.230 nan 0.000 0.422 344 P HA 0.381 nan 4.420 nan 0.000 0.270 344 P C -1.455 175.724 177.300 -0.202 0.000 1.551 344 P CA -0.325 62.583 63.100 -0.320 0.000 1.049 344 P CB 1.237 32.339 31.700 -0.997 0.000 1.397 345 A N 4.242 126.980 122.820 -0.137 0.000 2.332 345 A HA 0.496 4.816 4.320 -0.000 0.000 0.300 345 A C -0.198 177.195 177.584 -0.319 0.000 1.153 345 A CA -0.689 51.226 52.037 -0.203 0.000 0.764 345 A CB 1.155 20.102 19.000 -0.088 0.000 1.174 345 A HN 0.272 nan 8.150 nan 0.000 0.467 346 V N 2.541 122.086 119.914 -0.615 0.000 2.508 346 V HA 0.380 4.500 4.120 -0.000 0.000 0.281 346 V C 1.231 176.915 176.094 -0.683 0.000 1.041 346 V CA 0.787 62.654 62.300 -0.723 0.000 1.016 346 V CB 0.713 31.870 31.823 -1.109 0.000 0.984 346 V HN 1.096 nan 8.190 nan 0.000 0.478 347 A N 4.340 126.925 122.820 -0.392 0.000 1.938 347 A HA 0.047 4.367 4.320 -0.000 0.000 0.207 347 A C 1.545 179.019 177.584 -0.184 0.000 1.292 347 A CA 0.605 52.490 52.037 -0.254 0.000 0.700 347 A CB -0.329 18.576 19.000 -0.158 0.000 0.947 347 A HN 0.907 nan 8.150 nan 0.000 0.476 348 N N -0.407 118.201 118.700 -0.154 0.000 2.466 348 N HA 0.111 4.851 4.740 -0.000 0.000 0.211 348 N C 0.128 175.600 175.510 -0.063 0.000 1.256 348 N CA -0.072 52.928 53.050 -0.082 0.000 0.840 348 N CB -0.136 38.314 38.487 -0.061 0.000 1.079 348 N HN 0.413 nan 8.380 nan 0.000 0.466 349 M N 0.982 120.539 119.600 -0.071 0.000 2.573 349 M HA 0.363 4.843 4.480 -0.000 0.000 0.309 349 M C -0.631 175.766 176.300 0.162 0.000 1.202 349 M CA -0.886 54.431 55.300 0.029 0.000 0.975 349 M CB 2.419 35.035 32.600 0.027 0.000 1.600 349 M HN 0.116 nan 8.290 nan 0.000 0.479 350 L N 2.593 123.960 121.223 0.240 0.000 2.313 350 L HA 0.517 4.857 4.340 -0.000 0.000 0.283 350 L C -1.447 175.651 176.870 0.380 0.000 1.013 350 L CA -0.993 54.020 54.840 0.288 0.000 0.816 350 L CB 1.405 43.602 42.059 0.230 0.000 1.236 350 L HN 0.565 nan 8.230 nan 0.000 0.419 351 L N 5.301 126.744 121.223 0.367 0.000 2.257 351 L HA 0.437 4.777 4.340 -0.000 0.000 0.290 351 L C -0.357 176.677 176.870 0.274 0.000 1.044 351 L CA 0.347 55.346 54.840 0.264 0.000 0.810 351 L CB 0.970 43.145 42.059 0.192 0.000 1.193 351 L HN 0.604 nan 8.230 nan 0.000 0.425 352 E N 4.944 125.266 120.200 0.204 0.000 2.166 352 E HA 0.542 4.892 4.350 -0.000 0.000 0.275 352 E C -1.867 174.771 176.600 0.063 0.000 0.941 352 E CA -0.428 56.066 56.400 0.156 0.000 0.784 352 E CB 1.907 31.727 29.700 0.200 0.000 1.115 352 E HN 0.518 nan 8.360 nan 0.000 0.399 353 V N 3.015 122.928 119.914 -0.001 0.000 2.852 353 V HA 0.459 4.579 4.120 -0.000 0.000 0.300 353 V C 0.215 176.181 176.094 -0.214 0.000 1.205 353 V CA 0.428 62.625 62.300 -0.171 0.000 0.940 353 V CB 1.401 33.033 31.823 -0.319 0.000 1.047 353 V HN 0.883 nan 8.190 nan 0.000 0.429 354 G N 4.296 112.998 108.800 -0.162 0.000 2.390 354 G HA2 0.079 4.039 3.960 -0.000 0.000 0.299 354 G HA3 0.079 4.039 3.960 -0.000 0.000 0.299 354 G C 1.673 176.708 174.900 0.225 0.000 1.002 354 G CA 1.600 46.777 45.100 0.128 0.000 0.979 354 G HN 2.760 nan 8.290 nan 0.000 0.513 355 G N -1.911 106.956 108.800 0.112 0.000 2.320 355 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 355 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 355 G C 0.643 175.577 174.900 0.057 0.000 1.033 355 G CA 0.629 45.825 45.100 0.161 0.000 0.620 355 G HN 1.315 nan 8.290 nan 0.000 0.517 356 L N 1.276 122.496 121.223 -0.006 0.000 2.453 356 L HA 0.634 4.974 4.340 -0.000 0.000 0.261 356 L C 0.569 177.337 176.870 -0.169 0.000 1.179 356 L CA -0.160 54.581 54.840 -0.165 0.000 0.813 356 L CB 0.841 42.703 42.059 -0.329 0.000 1.110 356 L HN 0.552 nan 8.230 nan 0.000 0.466 357 E N 0.851 120.871 120.200 -0.300 0.000 2.287 357 E HA 0.373 4.723 4.350 -0.000 0.000 0.274 357 E C -1.687 174.769 176.600 -0.241 0.000 0.896 357 E CA -0.618 55.695 56.400 -0.145 0.000 0.788 357 E CB 1.192 30.851 29.700 -0.069 0.000 1.244 357 E HN 0.212 nan 8.360 nan 0.000 0.408 358 F N 3.552 123.514 119.950 0.021 0.000 2.293 358 F HA 0.304 4.831 4.527 -0.000 0.000 0.370 358 F C -1.503 174.354 175.800 0.095 0.000 1.090 358 F CA -2.576 55.455 58.000 0.051 0.000 1.133 358 F CB 1.308 40.336 39.000 0.046 0.000 1.360 358 F HN 0.381 nan 8.300 nan 0.000 0.489 359 P HA -0.042 nan 4.420 nan 0.000 0.236 359 P C -0.055 177.353 177.300 0.181 0.000 1.172 359 P CA 0.643 63.849 63.100 0.176 0.000 0.759 359 P CB 0.391 32.169 31.700 0.131 0.000 0.843 360 A N 0.179 123.138 122.820 0.233 0.000 2.414 360 A HA 0.555 4.875 4.320 -0.000 0.000 0.286 360 A C -0.193 177.558 177.584 0.279 0.000 1.073 360 A CA -0.394 51.751 52.037 0.180 0.000 0.727 360 A CB 0.474 19.535 19.000 0.101 0.000 1.215 360 A HN 0.267 nan 8.150 nan 0.000 0.430 361 C N 0.606 120.034 119.300 0.213 0.000 2.706 361 C HA 0.391 4.851 4.460 -0.000 0.000 0.283 361 C C -2.989 172.061 174.990 0.100 0.000 0.856 361 C CA -1.268 57.874 59.018 0.206 0.000 0.951 361 C CB -0.624 27.221 27.740 0.175 0.000 1.635 361 C HN 0.590 nan 8.230 nan 0.000 0.692 362 P HA 0.300 nan 4.420 nan 0.000 0.264 362 P C -0.491 176.721 177.300 -0.146 0.000 1.183 362 P CA 1.042 64.038 63.100 -0.174 0.000 0.763 362 P CB 0.428 32.076 31.700 -0.088 0.000 0.807 363 F N 0.556 120.410 119.950 -0.160 0.000 2.620 363 F HA 0.702 5.229 4.527 -0.000 0.000 0.320 363 F C -0.512 175.188 175.800 -0.167 0.000 1.069 363 F CA -1.199 56.686 58.000 -0.192 0.000 0.953 363 F CB 1.722 40.447 39.000 -0.457 0.000 1.322 363 F HN 0.344 nan 8.300 nan 0.000 0.479 364 N N -0.161 118.570 118.700 0.052 0.000 2.396 364 N HA 0.680 5.420 4.740 -0.000 0.000 0.275 364 N C -1.211 174.168 175.510 -0.219 0.000 1.218 364 N CA -0.435 52.557 53.050 -0.096 0.000 0.812 364 N CB 1.986 40.422 38.487 -0.085 0.000 1.592 364 N HN 1.042 nan 8.380 nan 0.000 0.480 365 G N -0.462 108.175 108.800 -0.271 0.000 3.302 365 G HA2 0.694 4.654 3.960 -0.000 0.000 0.170 365 G HA3 0.694 4.654 3.960 -0.000 0.000 0.170 365 G C -1.696 173.110 174.900 -0.157 0.000 1.119 365 G CA -0.647 44.202 45.100 -0.420 0.000 0.826 365 G HN 0.701 nan 8.290 nan 0.000 0.646 366 W N -1.639 119.613 121.300 -0.080 0.000 3.033 366 W HA 0.790 5.450 4.660 -0.000 0.000 0.336 366 W C -1.461 175.011 176.519 -0.079 0.000 1.173 366 W CA -2.341 54.976 57.345 -0.047 0.000 1.185 366 W CB 0.242 29.719 29.460 0.029 0.000 1.425 366 W HN 0.440 nan 8.180 nan 0.000 0.536 367 Y N 2.569 123.026 120.300 0.262 0.000 2.511 367 Y HA 0.165 4.715 4.550 -0.000 0.000 0.347 367 Y C 0.886 176.808 175.900 0.036 0.000 1.257 367 Y CA 0.022 58.146 58.100 0.040 0.000 1.469 367 Y CB 0.710 39.072 38.460 -0.163 0.000 1.353 367 Y HN 0.450 nan 8.280 nan 0.000 0.617 368 M N 2.294 121.992 119.600 0.163 0.000 2.190 368 M HA 0.322 4.802 4.480 -0.000 0.000 0.312 368 M C 1.009 177.256 176.300 -0.088 0.000 0.990 368 M CA -0.259 55.070 55.300 0.049 0.000 0.927 368 M CB 1.413 34.029 32.600 0.027 0.000 1.571 368 M HN 0.860 nan 8.290 nan 0.000 0.427 369 G N 2.308 111.013 108.800 -0.158 0.000 2.783 369 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.225 369 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.225 369 G C 1.105 175.813 174.900 -0.320 0.000 1.191 369 G CA 2.394 47.336 45.100 -0.264 0.000 0.774 369 G HN 0.894 nan 8.290 nan 0.000 0.632 370 T N -0.940 113.419 114.554 -0.324 0.000 2.869 370 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 370 T C 1.929 176.422 174.700 -0.344 0.000 1.082 370 T CA 1.894 63.761 62.100 -0.389 0.000 1.123 370 T CB -0.370 68.205 68.868 -0.490 0.000 0.856 370 T HN 0.609 nan 8.240 nan 0.000 0.499 371 E N 0.779 120.804 120.200 -0.291 0.000 2.077 371 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 371 E C 2.077 178.387 176.600 -0.482 0.000 0.989 371 E CA 1.493 57.735 56.400 -0.263 0.000 0.800 371 E CB -0.259 29.428 29.700 -0.022 0.000 0.746 371 E HN 0.619 nan 8.360 nan 0.000 0.452 372 I N 0.016 120.160 120.570 -0.710 0.000 2.385 372 I HA -0.030 4.140 4.170 -0.000 0.000 0.244 372 I C 2.586 178.111 176.117 -0.985 0.000 1.089 372 I CA 0.817 61.402 61.300 -1.190 0.000 1.410 372 I CB -0.485 36.696 38.000 -1.365 0.000 1.117 372 I HN 0.091 nan 8.210 nan 0.000 0.429 373 G N 0.772 109.226 108.800 -0.577 0.000 2.422 373 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 373 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 373 G C 1.577 176.384 174.900 -0.154 0.000 1.146 373 G CA 1.285 46.240 45.100 -0.242 0.000 0.769 373 G HN 0.243 nan 8.290 nan 0.000 0.547 374 V N 0.144 119.913 119.914 -0.242 0.000 2.490 374 V HA 0.089 4.209 4.120 -0.000 0.000 0.238 374 V C 2.769 178.767 176.094 -0.159 0.000 1.056 374 V CA 0.891 63.083 62.300 -0.180 0.000 1.075 374 V CB -0.331 31.355 31.823 -0.228 0.000 0.746 374 V HN 0.104 nan 8.190 nan 0.000 0.479 375 R N 0.777 121.143 120.500 -0.224 0.000 2.051 375 R HA -0.028 4.312 4.340 -0.000 0.000 0.225 375 R C 1.995 178.205 176.300 -0.150 0.000 1.155 375 R CA 1.518 57.510 56.100 -0.179 0.000 0.945 375 R CB -1.151 29.024 30.300 -0.209 0.000 0.840 375 R HN 0.457 nan 8.270 nan 0.000 0.432 376 D N 0.474 120.680 120.400 -0.323 0.000 2.104 376 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 376 D C 1.856 178.150 176.300 -0.010 0.000 0.994 376 D CA 1.213 54.992 54.000 -0.367 0.000 0.830 376 D CB -0.175 39.891 40.800 -1.223 0.000 0.959 376 D HN 0.095 nan 8.370 nan 0.000 0.452 377 F N 0.038 119.890 119.950 -0.163 0.000 2.387 377 F HA 0.057 4.584 4.527 -0.000 0.000 0.294 377 F C 2.276 178.109 175.800 0.055 0.000 1.093 377 F CA -0.254 57.741 58.000 -0.008 0.000 1.420 377 F CB -0.539 38.435 39.000 -0.043 0.000 1.086 377 F HN 0.022 nan 8.300 nan 0.000 0.531 378 C N -0.995 118.417 119.300 0.186 0.000 3.038 378 C HA 0.218 4.678 4.460 -0.000 0.000 0.279 378 C C 0.474 175.506 174.990 0.070 0.000 1.276 378 C CA -0.706 58.380 59.018 0.113 0.000 1.697 378 C CB -0.856 26.917 27.740 0.055 0.000 2.032 378 C HN 0.059 nan 8.230 nan 0.000 0.636 379 D N 1.096 121.536 120.400 0.067 0.000 2.372 379 D HA 0.136 4.776 4.640 -0.000 0.000 0.243 379 D C 1.311 177.657 176.300 0.077 0.000 1.121 379 D CA 0.527 54.558 54.000 0.052 0.000 0.898 379 D CB 1.067 41.894 40.800 0.045 0.000 1.202 379 D HN 0.088 nan 8.370 nan 0.000 0.428 380 T N 0.870 115.463 114.554 0.065 0.000 2.821 380 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 380 T C 1.604 176.347 174.700 0.071 0.000 1.046 380 T CA 0.957 63.099 62.100 0.069 0.000 1.139 380 T CB -0.031 68.874 68.868 0.061 0.000 0.871 380 T HN 0.514 nan 8.240 nan 0.000 0.454 381 Q N 0.655 120.503 119.800 0.080 0.000 2.444 381 Q HA 0.071 4.411 4.340 -0.000 0.000 0.206 381 Q C 0.988 177.031 176.000 0.072 0.000 0.948 381 Q CA 0.417 56.270 55.803 0.084 0.000 0.946 381 Q CB 0.177 28.987 28.738 0.120 0.000 1.027 381 Q HN 0.317 nan 8.270 nan 0.000 0.513 382 R N -0.234 120.315 120.500 0.083 0.000 3.091 382 R HA 0.242 4.582 4.340 -0.000 0.000 0.197 382 R C 1.583 177.911 176.300 0.047 0.000 1.554 382 R CA -0.537 55.621 56.100 0.096 0.000 0.895 382 R CB -1.152 29.270 30.300 0.204 0.000 2.235 382 R HN 0.031 nan 8.270 nan 0.000 0.512 383 Y N 1.420 121.832 120.300 0.187 0.000 2.403 383 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 383 Y C 0.703 176.672 175.900 0.115 0.000 1.143 383 Y CA 1.216 59.417 58.100 0.169 0.000 1.257 383 Y CB -0.392 38.231 38.460 0.271 0.000 0.984 383 Y HN 0.500 nan 8.280 nan 0.000 0.550 384 N N 0.547 119.385 118.700 0.229 0.000 2.642 384 N HA -0.224 4.516 4.740 -0.000 0.000 0.269 384 N C 0.263 175.864 175.510 0.152 0.000 1.073 384 N CA 0.820 53.964 53.050 0.157 0.000 0.748 384 N CB -1.267 37.284 38.487 0.106 0.000 0.894 384 N HN 0.667 nan 8.380 nan 0.000 0.548 385 I N -2.655 118.014 120.570 0.164 0.000 3.883 385 I HA 0.120 4.290 4.170 -0.000 0.000 0.326 385 I C 1.672 177.881 176.117 0.154 0.000 1.283 385 I CA -0.409 60.965 61.300 0.125 0.000 1.161 385 I CB -0.091 37.939 38.000 0.049 0.000 1.012 385 I HN 0.224 nan 8.210 nan 0.000 0.421 386 L N 1.490 122.815 121.223 0.171 0.000 2.043 386 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 386 L C 2.677 179.754 176.870 0.345 0.000 1.075 386 L CA 2.155 57.128 54.840 0.221 0.000 0.752 386 L CB -0.293 41.847 42.059 0.135 0.000 0.891 386 L HN 0.431 nan 8.230 nan 0.000 0.432 387 E N 0.800 121.166 120.200 0.277 0.000 2.048 387 E HA -0.310 4.040 4.350 -0.000 0.000 0.202 387 E C 1.882 178.535 176.600 0.088 0.000 1.021 387 E CA 2.360 58.883 56.400 0.204 0.000 0.825 387 E CB -0.119 29.651 29.700 0.117 0.000 0.756 387 E HN 0.663 nan 8.360 nan 0.000 0.454 388 E N -0.576 119.673 120.200 0.082 0.000 2.230 388 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 388 E C 2.066 178.710 176.600 0.073 0.000 0.987 388 E CA 0.964 57.384 56.400 0.034 0.000 0.841 388 E CB -0.051 29.661 29.700 0.020 0.000 0.783 388 E HN 0.186 nan 8.360 nan 0.000 0.481 389 V N 1.599 121.625 119.914 0.187 0.000 2.626 389 V HA -0.127 3.993 4.120 -0.000 0.000 0.252 389 V C 2.364 178.626 176.094 0.278 0.000 1.067 389 V CA 1.827 64.325 62.300 0.329 0.000 1.081 389 V CB -0.589 31.459 31.823 0.374 0.000 0.686 389 V HN 0.534 nan 8.190 nan 0.000 0.468 390 G N -0.318 108.620 108.800 0.230 0.000 2.404 390 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 390 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 390 G C 1.736 176.610 174.900 -0.044 0.000 1.189 390 G CA 0.440 45.648 45.100 0.181 0.000 0.789 390 G HN 0.368 nan 8.290 nan 0.000 0.533 391 R N 0.085 120.502 120.500 -0.138 0.000 2.094 391 R HA -0.044 4.296 4.340 -0.000 0.000 0.239 391 R C 2.756 178.926 176.300 -0.217 0.000 1.137 391 R CA 1.425 57.410 56.100 -0.192 0.000 0.943 391 R CB -0.283 29.915 30.300 -0.169 0.000 0.850 391 R HN 0.233 nan 8.270 nan 0.000 0.433 392 R N -0.129 120.191 120.500 -0.299 0.000 2.241 392 R HA -0.043 4.297 4.340 -0.000 0.000 0.224 392 R C 1.931 177.867 176.300 -0.607 0.000 1.101 392 R CA 1.009 56.709 56.100 -0.668 0.000 0.995 392 R CB -0.044 29.557 30.300 -1.166 0.000 0.870 392 R HN 0.281 nan 8.270 nan 0.000 0.463 393 M N -1.075 118.445 119.600 -0.134 0.000 2.541 393 M HA 0.125 4.605 4.480 -0.000 0.000 0.252 393 M C 0.889 177.228 176.300 0.064 0.000 1.125 393 M CA 0.632 56.037 55.300 0.175 0.000 1.091 393 M CB 0.869 33.661 32.600 0.320 0.000 1.420 393 M HN 0.408 nan 8.290 nan 0.000 0.486 394 G N 1.021 109.789 108.800 -0.053 0.000 2.136 394 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.242 394 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.242 394 G C -0.127 174.745 174.900 -0.046 0.000 0.989 394 G CA -0.397 44.667 45.100 -0.060 0.000 0.682 394 G HN 0.234 nan 8.290 nan 0.000 0.522 395 L N 0.315 121.508 121.223 -0.050 0.000 2.466 395 L HA 0.407 4.747 4.340 -0.000 0.000 0.257 395 L C 1.030 177.776 176.870 -0.207 0.000 1.189 395 L CA -0.382 54.424 54.840 -0.056 0.000 0.813 395 L CB 0.173 42.267 42.059 0.057 0.000 1.118 395 L HN 0.315 nan 8.230 nan 0.000 0.471 396 E N 0.279 120.377 120.200 -0.171 0.000 1.852 396 E HA 0.066 4.416 4.350 -0.000 0.000 0.276 396 E C 0.600 176.877 176.600 -0.539 0.000 1.163 396 E CA -0.052 56.222 56.400 -0.210 0.000 1.117 396 E CB -0.140 29.531 29.700 -0.048 0.000 1.124 396 E HN 0.505 nan 8.360 nan 0.000 0.458 397 T N 0.815 114.834 114.554 -0.891 0.000 3.025 397 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 397 T C 0.738 174.859 174.700 -0.965 0.000 1.126 397 T CA 0.898 62.052 62.100 -1.577 0.000 1.105 397 T CB -0.117 67.938 68.868 -1.355 0.000 0.884 397 T HN 0.493 nan 8.240 nan 0.000 0.522 398 H N 0.396 119.299 119.070 -0.277 0.000 2.505 398 H HA 0.267 4.823 4.556 -0.000 0.000 0.286 398 H C -0.057 175.283 175.328 0.020 0.000 1.072 398 H CA 0.079 56.083 56.048 -0.073 0.000 1.141 398 H CB 0.470 30.189 29.762 -0.071 0.000 1.550 398 H HN 0.162 nan 8.280 nan 0.000 0.547 399 T N 2.601 117.228 114.554 0.122 0.000 3.038 399 T HA 0.117 4.467 4.350 -0.000 0.000 0.344 399 T C 1.228 176.111 174.700 0.305 0.000 1.054 399 T CA -0.470 61.734 62.100 0.173 0.000 1.092 399 T CB 1.401 70.340 68.868 0.119 0.000 1.031 399 T HN -0.009 nan 8.240 nan 0.000 0.482 400 L N 2.004 123.392 121.223 0.275 0.000 2.012 400 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 400 L C 2.737 179.700 176.870 0.156 0.000 1.073 400 L CA 2.037 57.018 54.840 0.234 0.000 0.748 400 L CB -1.418 40.717 42.059 0.127 0.000 0.891 400 L HN 0.759 nan 8.230 nan 0.000 0.431 401 A N -0.358 122.538 122.820 0.126 0.000 2.234 401 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 401 A C 2.293 179.941 177.584 0.107 0.000 1.167 401 A CA 1.484 53.576 52.037 0.091 0.000 0.698 401 A CB -0.564 18.481 19.000 0.074 0.000 0.779 401 A HN 0.610 nan 8.150 nan 0.000 0.475 402 S N -0.719 115.085 115.700 0.174 0.000 2.562 402 S HA 0.188 4.658 4.470 -0.000 0.000 0.221 402 S C 0.845 175.551 174.600 0.177 0.000 0.975 402 S CA 0.469 58.777 58.200 0.181 0.000 0.918 402 S CB -0.703 62.629 63.200 0.219 0.000 0.772 402 S HN 0.812 nan 8.310 nan 0.000 0.531 403 L N 0.617 121.913 121.223 0.123 0.000 3.843 403 L HA -0.184 4.156 4.340 -0.000 0.000 0.411 403 L C 1.678 178.572 176.870 0.040 0.000 1.205 403 L CA 0.814 55.664 54.840 0.017 0.000 0.945 403 L CB -2.601 39.471 42.059 0.022 0.000 1.929 403 L HN 0.747 nan 8.230 nan 0.000 0.934 404 W N 0.287 121.598 121.300 0.018 0.000 2.363 404 W HA -0.134 4.526 4.660 -0.000 0.000 0.296 404 W C 1.748 178.280 176.519 0.022 0.000 1.212 404 W CA 1.287 58.645 57.345 0.021 0.000 1.260 404 W CB -0.794 28.672 29.460 0.010 0.000 1.131 404 W HN 0.259 nan 8.180 nan 0.000 0.530 405 K N 0.969 120.880 120.400 -0.815 0.000 2.103 405 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 405 K C 1.470 177.907 176.600 -0.273 0.000 1.048 405 K CA 2.316 58.154 56.287 -0.747 0.000 0.930 405 K CB -0.376 31.561 32.500 -0.939 0.000 0.716 405 K HN 0.039 nan 8.250 nan 0.000 0.444 406 D N 0.158 120.443 120.400 -0.192 0.000 2.144 406 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 406 D C 1.947 178.234 176.300 -0.021 0.000 0.978 406 D CA 0.978 54.926 54.000 -0.086 0.000 0.833 406 D CB 0.052 40.818 40.800 -0.056 0.000 0.961 406 D HN 0.119 nan 8.370 nan 0.000 0.470 407 R N 0.507 121.022 120.500 0.025 0.000 2.062 407 R HA 0.059 4.399 4.340 -0.000 0.000 0.229 407 R C 2.269 178.613 176.300 0.073 0.000 1.128 407 R CA 1.106 57.249 56.100 0.072 0.000 0.960 407 R CB -0.393 29.984 30.300 0.128 0.000 0.855 407 R HN 0.149 nan 8.270 nan 0.000 0.432 408 A N 1.060 123.946 122.820 0.111 0.000 1.851 408 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 408 A C 2.407 180.029 177.584 0.063 0.000 1.195 408 A CA 1.765 53.880 52.037 0.129 0.000 0.622 408 A CB -0.900 18.238 19.000 0.230 0.000 0.831 408 A HN 0.110 nan 8.150 nan 0.000 0.444 409 V N -0.019 119.911 119.914 0.025 0.000 2.317 409 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 409 V C 2.726 178.812 176.094 -0.013 0.000 1.065 409 V CA 2.639 64.939 62.300 -0.000 0.000 1.049 409 V CB -1.504 30.291 31.823 -0.047 0.000 0.651 409 V HN 0.645 nan 8.190 nan 0.000 0.450 410 T N -0.634 113.915 114.554 -0.008 0.000 2.746 410 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 410 T C 1.879 176.561 174.700 -0.029 0.000 1.039 410 T CA 1.512 63.610 62.100 -0.003 0.000 1.142 410 T CB -0.271 68.609 68.868 0.020 0.000 0.866 410 T HN 0.495 nan 8.240 nan 0.000 0.444 411 E N 0.905 121.081 120.200 -0.040 0.000 2.150 411 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 411 E C 2.219 178.713 176.600 -0.175 0.000 0.985 411 E CA 0.656 57.001 56.400 -0.093 0.000 0.814 411 E CB -0.393 29.166 29.700 -0.235 0.000 0.752 411 E HN 0.543 nan 8.360 nan 0.000 0.466 412 I N 1.465 121.979 120.570 -0.094 0.000 2.315 412 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 412 I C 2.047 178.125 176.117 -0.065 0.000 1.117 412 I CA 0.679 61.952 61.300 -0.044 0.000 1.404 412 I CB -0.319 37.773 38.000 0.154 0.000 1.071 412 I HN 0.031 nan 8.210 nan 0.000 0.419 413 N N 0.840 119.497 118.700 -0.071 0.000 2.120 413 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 413 N C 1.948 177.394 175.510 -0.106 0.000 1.024 413 N CA 1.715 54.712 53.050 -0.088 0.000 0.852 413 N CB -0.277 38.169 38.487 -0.068 0.000 1.003 413 N HN 0.268 nan 8.380 nan 0.000 0.424 414 V N 0.252 120.072 119.914 -0.156 0.000 2.515 414 V HA -0.055 4.065 4.120 -0.000 0.000 0.250 414 V C 2.503 178.427 176.094 -0.283 0.000 1.058 414 V CA 1.499 63.668 62.300 -0.218 0.000 1.064 414 V CB -1.287 30.353 31.823 -0.305 0.000 0.675 414 V HN 0.176 nan 8.190 nan 0.000 0.461 415 A N 0.862 123.439 122.820 -0.405 0.000 1.851 415 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 415 A C 2.439 180.001 177.584 -0.036 0.000 1.195 415 A CA 2.490 54.297 52.037 -0.383 0.000 0.622 415 A CB -0.995 17.561 19.000 -0.740 0.000 0.831 415 A HN 0.343 nan 8.150 nan 0.000 0.444 416 V N -0.370 119.557 119.914 0.022 0.000 2.231 416 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 416 V C 2.558 178.722 176.094 0.118 0.000 1.054 416 V CA 2.196 64.564 62.300 0.113 0.000 1.015 416 V CB -0.880 30.913 31.823 -0.049 0.000 0.638 416 V HN 0.499 nan 8.190 nan 0.000 0.444 417 L N -0.512 120.709 121.223 -0.003 0.000 2.042 417 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 417 L C 2.455 179.377 176.870 0.085 0.000 1.076 417 L CA 2.240 57.086 54.840 0.009 0.000 0.749 417 L CB -1.151 40.898 42.059 -0.017 0.000 0.893 417 L HN 0.506 nan 8.230 nan 0.000 0.432 418 H N -1.110 117.932 119.070 -0.047 0.000 2.293 418 H HA -0.134 4.422 4.556 -0.000 0.000 0.300 418 H C 2.182 177.515 175.328 0.007 0.000 1.082 418 H CA 1.682 57.696 56.048 -0.057 0.000 1.308 418 H CB 0.379 30.047 29.762 -0.157 0.000 1.375 418 H HN 0.289 nan 8.280 nan 0.000 0.495 419 S N 0.271 115.940 115.700 -0.051 0.000 2.383 419 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 419 S C 1.925 176.483 174.600 -0.070 0.000 1.030 419 S CA 1.396 59.541 58.200 -0.092 0.000 1.002 419 S CB -0.460 62.773 63.200 0.055 0.000 0.829 419 S HN 0.305 nan 8.310 nan 0.000 0.467 420 F N 1.401 121.292 119.950 -0.098 0.000 2.163 420 F HA -0.015 4.512 4.527 -0.000 0.000 0.297 420 F C 2.698 178.441 175.800 -0.095 0.000 1.094 420 F CA 1.029 58.985 58.000 -0.073 0.000 1.290 420 F CB -0.481 38.490 39.000 -0.049 0.000 1.017 420 F HN 0.162 nan 8.300 nan 0.000 0.483 421 Q N 0.294 120.141 119.800 0.077 0.000 2.079 421 Q HA -0.238 4.102 4.340 -0.000 0.000 0.200 421 Q C 2.248 178.200 176.000 -0.080 0.000 0.974 421 Q CA 1.722 57.522 55.803 -0.005 0.000 0.840 421 Q CB -0.058 28.679 28.738 -0.003 0.000 0.898 421 Q HN 0.251 nan 8.270 nan 0.000 0.430 422 K N 0.149 120.439 120.400 -0.183 0.000 2.026 422 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 422 K C 1.207 177.721 176.600 -0.144 0.000 1.048 422 K CA 1.615 57.771 56.287 -0.218 0.000 0.929 422 K CB 0.145 32.402 32.500 -0.406 0.000 0.713 422 K HN 0.217 nan 8.250 nan 0.000 0.439 423 Q N 0.720 120.431 119.800 -0.148 0.000 2.228 423 Q HA 0.121 4.461 4.340 -0.000 0.000 0.211 423 Q C -0.683 175.254 176.000 -0.106 0.000 0.890 423 Q CA -0.237 55.487 55.803 -0.131 0.000 0.953 423 Q CB 0.234 28.868 28.738 -0.172 0.000 1.053 423 Q HN 0.288 nan 8.270 nan 0.000 0.471 424 N N 0.381 119.034 118.700 -0.079 0.000 2.707 424 N HA -0.158 4.582 4.740 -0.000 0.000 0.253 424 N C -1.251 174.230 175.510 -0.047 0.000 0.998 424 N CA 0.601 53.617 53.050 -0.057 0.000 0.751 424 N CB -0.902 37.551 38.487 -0.056 0.000 0.920 424 N HN 0.069 nan 8.380 nan 0.000 0.539 425 V N 1.038 120.938 119.914 -0.023 0.000 2.384 425 V HA 0.192 4.312 4.120 -0.000 0.000 0.287 425 V C 0.830 177.026 176.094 0.170 0.000 1.020 425 V CA -0.671 61.651 62.300 0.037 0.000 0.850 425 V CB 1.919 33.692 31.823 -0.084 0.000 0.987 425 V HN 0.160 nan 8.190 nan 0.000 0.436 426 T N 6.504 121.096 114.554 0.063 0.000 2.923 426 T HA 0.342 4.692 4.350 -0.000 0.000 0.304 426 T C -0.209 174.511 174.700 0.032 0.000 1.044 426 T CA 1.046 63.098 62.100 -0.080 0.000 1.141 426 T CB 0.065 68.757 68.868 -0.294 0.000 1.023 426 T HN 0.598 nan 8.240 nan 0.000 0.533 427 I N 2.055 122.555 120.570 -0.117 0.000 2.897 427 I HA 0.557 4.727 4.170 -0.000 0.000 0.299 427 I C -1.763 174.305 176.117 -0.082 0.000 1.527 427 I CA -1.001 60.246 61.300 -0.089 0.000 0.979 427 I CB 1.979 39.830 38.000 -0.248 0.000 1.360 427 I HN 0.681 nan 8.210 nan 0.000 0.495 428 M N 4.603 124.215 119.600 0.020 0.000 2.324 428 M HA 0.387 4.867 4.480 -0.000 0.000 0.288 428 M C -1.633 174.705 176.300 0.062 0.000 1.097 428 M CA -0.483 54.855 55.300 0.064 0.000 0.928 428 M CB 1.756 34.470 32.600 0.190 0.000 1.648 428 M HN 0.638 nan 8.290 nan 0.000 0.460 429 D N 2.106 122.546 120.400 0.066 0.000 2.363 429 D HA 0.044 4.684 4.640 -0.000 0.000 0.240 429 D C 1.081 177.470 176.300 0.150 0.000 1.236 429 D CA 0.042 54.119 54.000 0.127 0.000 0.927 429 D CB 0.496 41.369 40.800 0.121 0.000 1.150 429 D HN 0.696 nan 8.370 nan 0.000 0.458 430 H N -0.452 118.576 119.070 -0.071 0.000 2.457 430 H HA -0.107 4.449 4.556 -0.000 0.000 0.294 430 H C 1.196 176.425 175.328 -0.166 0.000 1.064 430 H CA 1.386 57.341 56.048 -0.155 0.000 1.330 430 H CB -0.776 28.830 29.762 -0.261 0.000 1.395 430 H HN 0.536 nan 8.280 nan 0.000 0.541 431 H N 1.225 120.115 119.070 -0.300 0.000 2.284 431 H HA -0.069 4.487 4.556 -0.000 0.000 0.304 431 H C 2.334 177.623 175.328 -0.064 0.000 1.069 431 H CA 2.345 58.267 56.048 -0.209 0.000 1.327 431 H CB -0.306 29.305 29.762 -0.252 0.000 1.387 431 H HN 0.565 nan 8.280 nan 0.000 0.498 432 T N -0.346 114.267 114.554 0.099 0.000 2.849 432 T HA -0.054 4.296 4.350 -0.000 0.000 0.270 432 T C 2.255 177.013 174.700 0.097 0.000 1.066 432 T CA 1.034 63.183 62.100 0.082 0.000 1.130 432 T CB -0.420 68.488 68.868 0.067 0.000 0.864 432 T HN 0.354 nan 8.240 nan 0.000 0.481 433 A N 1.768 124.645 122.820 0.095 0.000 1.873 433 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 433 A C 2.727 180.384 177.584 0.123 0.000 1.186 433 A CA 1.726 53.833 52.037 0.116 0.000 0.616 433 A CB -1.042 18.016 19.000 0.097 0.000 0.823 433 A HN 0.516 nan 8.150 nan 0.000 0.442 434 S N -0.030 115.716 115.700 0.077 0.000 2.368 434 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 434 S C 1.821 176.517 174.600 0.160 0.000 1.030 434 S CA 1.536 59.793 58.200 0.096 0.000 0.999 434 S CB -0.360 62.849 63.200 0.015 0.000 0.844 434 S HN 0.685 nan 8.310 nan 0.000 0.459 435 E N 1.288 121.560 120.200 0.120 0.000 2.110 435 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 435 E C 2.401 179.074 176.600 0.122 0.000 0.988 435 E CA 1.469 57.936 56.400 0.112 0.000 0.804 435 E CB -0.238 29.513 29.700 0.085 0.000 0.745 435 E HN 0.652 nan 8.360 nan 0.000 0.458 436 S N 0.486 116.269 115.700 0.138 0.000 2.406 436 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 436 S C 1.861 176.562 174.600 0.168 0.000 1.020 436 S CA 0.444 58.725 58.200 0.136 0.000 0.965 436 S CB -0.386 62.898 63.200 0.140 0.000 0.798 436 S HN 0.293 nan 8.310 nan 0.000 0.488 437 F N 2.303 122.300 119.950 0.079 0.000 2.163 437 F HA 0.118 4.645 4.527 -0.000 0.000 0.297 437 F C 2.323 178.197 175.800 0.122 0.000 1.094 437 F CA 1.198 59.262 58.000 0.106 0.000 1.290 437 F CB -0.317 38.722 39.000 0.065 0.000 1.017 437 F HN 0.061 nan 8.300 nan 0.000 0.483 438 M N 0.285 119.967 119.600 0.136 0.000 2.149 438 M HA -0.215 4.264 4.480 -0.000 0.000 0.261 438 M C 2.178 178.440 176.300 -0.063 0.000 1.064 438 M CA 1.612 56.930 55.300 0.029 0.000 1.102 438 M CB -1.137 31.522 32.600 0.097 0.000 1.369 438 M HN 0.113 nan 8.290 nan 0.000 0.408 439 K N -0.419 119.974 120.400 -0.011 0.000 2.097 439 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 439 K C 1.913 178.484 176.600 -0.047 0.000 1.050 439 K CA 1.571 57.850 56.287 -0.012 0.000 0.938 439 K CB -0.520 31.999 32.500 0.033 0.000 0.718 439 K HN 0.335 nan 8.250 nan 0.000 0.442 440 H N 0.054 119.005 119.070 -0.198 0.000 2.321 440 H HA -0.029 4.527 4.556 -0.000 0.000 0.300 440 H C 1.781 176.929 175.328 -0.300 0.000 1.087 440 H CA 2.533 58.426 56.048 -0.257 0.000 1.319 440 H CB -0.125 29.415 29.762 -0.370 0.000 1.379 440 H HN 0.160 nan 8.280 nan 0.000 0.501 441 M N 0.057 119.310 119.600 -0.578 0.000 2.080 441 M HA -0.263 4.217 4.480 -0.000 0.000 0.260 441 M C 2.421 178.613 176.300 -0.180 0.000 1.068 441 M CA 2.127 57.183 55.300 -0.406 0.000 1.109 441 M CB -0.323 32.092 32.600 -0.309 0.000 1.342 441 M HN 0.461 nan 8.290 nan 0.000 0.405 442 Q N 0.048 119.750 119.800 -0.163 0.000 2.112 442 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 442 Q C 1.762 177.722 176.000 -0.067 0.000 0.987 442 Q CA 1.559 57.310 55.803 -0.088 0.000 0.858 442 Q CB -0.366 28.331 28.738 -0.069 0.000 0.905 442 Q HN 0.538 nan 8.270 nan 0.000 0.420 443 N N 0.431 119.063 118.700 -0.113 0.000 2.142 443 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 443 N C 1.644 177.066 175.510 -0.146 0.000 1.023 443 N CA 1.120 54.114 53.050 -0.093 0.000 0.852 443 N CB -0.220 38.234 38.487 -0.054 0.000 0.998 443 N HN 0.198 nan 8.380 nan 0.000 0.424 444 E N 0.149 120.174 120.200 -0.292 0.000 2.051 444 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 444 E C 1.673 178.154 176.600 -0.198 0.000 0.991 444 E CA 1.132 57.325 56.400 -0.344 0.000 0.799 444 E CB -0.275 29.080 29.700 -0.575 0.000 0.748 444 E HN 0.360 nan 8.360 nan 0.000 0.449 445 Y N 0.280 120.461 120.300 -0.200 0.000 2.145 445 Y HA -0.126 4.424 4.550 -0.000 0.000 0.286 445 Y C 2.562 178.407 175.900 -0.091 0.000 1.145 445 Y CA 1.929 59.959 58.100 -0.117 0.000 1.148 445 Y CB -0.348 38.058 38.460 -0.089 0.000 0.981 445 Y HN 0.013 nan 8.280 nan 0.000 0.507 446 R N 0.280 120.819 120.500 0.064 0.000 2.081 446 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 446 R C 2.165 178.451 176.300 -0.024 0.000 1.131 446 R CA 1.324 57.434 56.100 0.017 0.000 0.960 446 R CB -0.428 29.875 30.300 0.006 0.000 0.856 446 R HN 0.288 nan 8.270 nan 0.000 0.436 447 A N 1.800 124.586 122.820 -0.057 0.000 1.819 447 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 447 A C 2.016 179.546 177.584 -0.091 0.000 1.226 447 A CA 1.567 53.561 52.037 -0.072 0.000 0.608 447 A CB -0.506 18.438 19.000 -0.093 0.000 0.877 447 A HN 0.562 nan 8.150 nan 0.000 0.452 448 R N -1.146 119.268 120.500 -0.143 0.000 2.334 448 R HA 0.359 4.699 4.340 -0.000 0.000 0.216 448 R C 0.950 177.151 176.300 -0.165 0.000 0.905 448 R CA 0.777 56.792 56.100 -0.143 0.000 1.064 448 R CB -0.228 29.974 30.300 -0.163 0.000 1.046 448 R HN 1.098 nan 8.270 nan 0.000 0.508 449 G N -0.094 108.587 108.800 -0.198 0.000 2.137 449 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.237 449 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.237 449 G C 0.151 174.753 174.900 -0.496 0.000 1.002 449 G CA -0.062 44.898 45.100 -0.234 0.000 0.702 449 G HN 0.883 nan 8.290 nan 0.000 0.515 450 G N -2.462 105.875 108.800 -0.773 0.000 2.441 450 G HA2 0.606 4.566 3.960 -0.000 0.000 0.294 450 G HA3 0.606 4.566 3.960 -0.000 0.000 0.294 450 G C -1.005 173.479 174.900 -0.693 0.000 1.393 450 G CA 0.281 44.794 45.100 -0.978 0.000 0.796 450 G HN 1.794 nan 8.290 nan 0.000 0.494 451 C N 1.883 120.996 119.300 -0.312 0.000 3.130 451 C HA 0.513 4.973 4.460 -0.000 0.000 0.386 451 C C -2.661 172.261 174.990 -0.112 0.000 1.064 451 C CA -1.064 57.873 59.018 -0.136 0.000 1.298 451 C CB 0.756 28.492 27.740 -0.006 0.000 1.675 451 C HN 0.640 nan 8.230 nan 0.000 0.527 452 P HA 0.328 nan 4.420 nan 0.000 0.261 452 P C -0.440 176.752 177.300 -0.181 0.000 1.203 452 P CA 0.849 63.527 63.100 -0.704 0.000 0.767 452 P CB 0.707 31.961 31.700 -0.744 0.000 0.785 453 A N 3.182 125.972 122.820 -0.048 0.000 2.374 453 A HA 0.397 4.717 4.320 -0.000 0.000 0.305 453 A C -0.706 176.941 177.584 0.105 0.000 1.053 453 A CA -0.579 51.520 52.037 0.104 0.000 0.726 453 A CB 1.172 20.334 19.000 0.269 0.000 1.229 453 A HN 0.433 nan 8.150 nan 0.000 0.431 454 D N 2.377 122.831 120.400 0.090 0.000 2.467 454 D HA 0.104 4.744 4.640 -0.000 0.000 0.220 454 D C 0.812 177.238 176.300 0.209 0.000 1.103 454 D CA -0.504 53.583 54.000 0.144 0.000 0.886 454 D CB 0.336 41.193 40.800 0.094 0.000 1.025 454 D HN 0.637 nan 8.370 nan 0.000 0.514 455 W N 4.716 126.040 121.300 0.041 0.000 2.302 455 W HA -0.252 4.408 4.660 0.000 0.000 0.320 455 W C 1.831 178.363 176.519 0.022 0.000 1.241 455 W CA 1.347 58.694 57.345 0.004 0.000 1.264 455 W CB -0.119 29.323 29.460 -0.030 0.000 1.154 455 W HN 0.456 nan 8.180 nan 0.000 0.483 456 I N -0.942 119.937 120.570 0.516 0.000 2.315 456 I HA -0.330 3.840 4.170 -0.000 0.000 0.251 456 I C 1.798 177.999 176.117 0.141 0.000 1.125 456 I CA 1.638 63.170 61.300 0.386 0.000 1.392 456 I CB -0.722 37.517 38.000 0.400 0.000 1.065 456 I HN 0.167 nan 8.210 nan 0.000 0.424 457 W N 0.170 121.438 121.300 -0.052 0.000 2.630 457 W HA 0.138 4.798 4.660 -0.000 0.000 0.271 457 W C 2.275 178.665 176.519 -0.214 0.000 1.244 457 W CA 0.201 57.479 57.345 -0.111 0.000 1.353 457 W CB -0.311 29.109 29.460 -0.065 0.000 1.080 457 W HN -0.067 nan 8.180 nan 0.000 0.594 458 L N -0.199 120.964 121.223 -0.100 0.000 2.217 458 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 458 L C 0.623 177.244 176.870 -0.416 0.000 1.107 458 L CA 0.367 55.019 54.840 -0.313 0.000 0.783 458 L CB -0.915 40.876 42.059 -0.446 0.000 0.919 458 L HN -0.398 nan 8.230 nan 0.000 0.442 459 V N 1.512 121.088 119.914 -0.564 0.000 2.470 459 V HA 0.120 4.240 4.120 -0.000 0.000 0.276 459 V C -1.859 174.006 176.094 -0.381 0.000 1.040 459 V CA -1.331 60.612 62.300 -0.593 0.000 1.008 459 V CB 0.435 31.627 31.823 -1.052 0.000 0.990 459 V HN 0.036 nan 8.190 nan 0.000 0.477 460 P HA 0.041 nan 4.420 nan 0.000 0.265 460 P C -1.722 175.443 177.300 -0.224 0.000 1.187 460 P CA -0.801 62.163 63.100 -0.227 0.000 0.766 460 P CB 0.091 31.715 31.700 -0.127 0.000 0.820 461 P HA -0.078 nan 4.420 nan 0.000 0.236 461 P C -0.084 177.112 177.300 -0.173 0.000 1.172 461 P CA 1.068 64.039 63.100 -0.215 0.000 0.759 461 P CB 0.048 31.603 31.700 -0.242 0.000 0.843 462 V N -6.877 112.931 119.914 -0.177 0.000 3.120 462 V HA 0.529 4.649 4.120 -0.000 0.000 0.303 462 V C 0.129 176.193 176.094 -0.050 0.000 1.238 462 V CA -0.962 61.269 62.300 -0.117 0.000 1.008 462 V CB 1.385 33.125 31.823 -0.137 0.000 1.064 462 V HN -0.124 nan 8.190 nan 0.000 0.434 463 S N 1.124 116.809 115.700 -0.025 0.000 3.614 463 S HA -0.181 4.289 4.470 -0.000 0.000 0.360 463 S C 1.521 176.070 174.600 -0.086 0.000 1.023 463 S CA 1.170 59.361 58.200 -0.016 0.000 1.114 463 S CB -1.574 61.673 63.200 0.078 0.000 0.907 463 S HN 2.073 nan 8.310 nan 0.000 0.470 464 G N 2.543 111.277 108.800 -0.110 0.000 2.679 464 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 464 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 464 G C 1.502 176.198 174.900 -0.341 0.000 1.267 464 G CA 1.531 46.560 45.100 -0.119 0.000 0.799 464 G HN 1.258 nan 8.290 nan 0.000 0.606 465 S N 0.413 115.617 115.700 -0.826 0.000 2.469 465 S HA -0.010 4.460 4.470 -0.000 0.000 0.238 465 S C 2.102 176.523 174.600 -0.297 0.000 0.998 465 S CA 0.892 58.477 58.200 -1.025 0.000 0.957 465 S CB -0.138 62.446 63.200 -1.026 0.000 0.764 465 S HN 0.195 nan 8.310 nan 0.000 0.514 466 I N 1.957 122.434 120.570 -0.155 0.000 2.830 466 I HA 0.043 4.213 4.170 -0.000 0.000 0.263 466 I C 0.903 177.050 176.117 0.051 0.000 1.230 466 I CA 0.548 61.853 61.300 0.009 0.000 1.480 466 I CB -2.023 36.019 38.000 0.070 0.000 1.095 466 I HN 0.253 nan 8.210 nan 0.000 0.455 467 T N 2.457 116.985 114.554 -0.043 0.000 2.909 467 T HA 0.210 4.560 4.350 -0.000 0.000 0.286 467 T C -1.449 173.262 174.700 0.019 0.000 1.002 467 T CA -0.992 61.092 62.100 -0.026 0.000 1.074 467 T CB 2.228 71.030 68.868 -0.110 0.000 0.984 467 T HN -0.071 nan 8.240 nan 0.000 0.495 468 P HA -0.094 nan 4.420 nan 0.000 0.216 468 P C 1.754 179.143 177.300 0.149 0.000 1.153 468 P CA 0.600 63.801 63.100 0.168 0.000 0.848 468 P CB -0.143 31.646 31.700 0.147 0.000 0.787 469 V N -3.155 116.811 119.914 0.087 0.000 2.720 469 V HA -0.227 3.893 4.120 -0.000 0.000 0.256 469 V C 1.996 178.114 176.094 0.040 0.000 1.082 469 V CA 1.445 63.783 62.300 0.064 0.000 1.101 469 V CB -1.918 29.871 31.823 -0.057 0.000 0.693 469 V HN -0.047 nan 8.190 nan 0.000 0.479 470 F N 2.378 122.219 119.950 -0.183 0.000 2.186 470 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 470 F C 2.093 178.006 175.800 0.188 0.000 1.090 470 F CA 2.189 60.150 58.000 -0.065 0.000 1.307 470 F CB -0.346 38.465 39.000 -0.315 0.000 1.019 470 F HN 0.355 nan 8.300 nan 0.000 0.489 471 H N -1.682 117.705 119.070 0.527 0.000 2.533 471 H HA 0.139 4.695 4.556 -0.000 0.000 0.271 471 H C 0.154 175.619 175.328 0.230 0.000 1.000 471 H CA -0.114 56.149 56.048 0.359 0.000 1.149 471 H CB -0.011 29.923 29.762 0.286 0.000 1.375 471 H HN 0.099 nan 8.280 nan 0.000 0.582 472 Q N 2.054 122.046 119.800 0.319 0.000 2.340 472 Q HA 0.151 4.491 4.340 -0.000 0.000 0.259 472 Q C -0.801 175.344 176.000 0.242 0.000 0.964 472 Q CA -0.458 55.487 55.803 0.238 0.000 0.900 472 Q CB 0.656 29.526 28.738 0.220 0.000 1.228 472 Q HN 0.336 nan 8.270 nan 0.000 0.449 473 E N 4.187 124.468 120.200 0.134 0.000 2.338 473 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 473 E C -0.342 176.339 176.600 0.135 0.000 1.029 473 E CA 0.039 56.491 56.400 0.087 0.000 0.872 473 E CB 0.718 30.438 29.700 0.033 0.000 1.015 473 E HN 0.671 nan 8.360 nan 0.000 0.417 474 M N 0.754 120.450 119.600 0.160 0.000 2.520 474 M HA 0.443 4.923 4.480 -0.000 0.000 0.283 474 M C -1.663 174.756 176.300 0.198 0.000 1.237 474 M CA -1.245 54.183 55.300 0.213 0.000 0.885 474 M CB 1.213 33.977 32.600 0.273 0.000 1.727 474 M HN 0.137 nan 8.290 nan 0.000 0.468 475 L N 2.629 124.007 121.223 0.258 0.000 2.296 475 L HA 0.486 4.826 4.340 -0.000 0.000 0.286 475 L C -0.528 176.499 176.870 0.261 0.000 1.023 475 L CA -0.020 54.999 54.840 0.299 0.000 0.812 475 L CB 1.248 43.559 42.059 0.419 0.000 1.223 475 L HN 0.766 nan 8.230 nan 0.000 0.421 476 N N 3.695 122.516 118.700 0.202 0.000 2.462 476 N HA 0.401 5.141 4.740 -0.000 0.000 0.242 476 N C -1.544 174.053 175.510 0.144 0.000 1.010 476 N CA -0.233 52.865 53.050 0.080 0.000 0.939 476 N CB 0.214 38.753 38.487 0.087 0.000 1.127 476 N HN 0.379 nan 8.380 nan 0.000 0.509 477 Y N 0.269 120.591 120.300 0.038 0.000 2.534 477 Y HA 0.601 5.151 4.550 -0.000 0.000 0.345 477 Y C -0.937 174.939 175.900 -0.041 0.000 1.031 477 Y CA -1.448 56.646 58.100 -0.010 0.000 1.022 477 Y CB 0.561 39.011 38.460 -0.016 0.000 1.292 477 Y HN -0.037 nan 8.280 nan 0.000 0.459 478 V N 5.050 124.947 119.914 -0.028 0.000 2.408 478 V HA 0.276 4.396 4.120 -0.000 0.000 0.267 478 V C 0.298 176.272 176.094 -0.200 0.000 1.047 478 V CA -0.235 61.834 62.300 -0.386 0.000 0.937 478 V CB 0.138 31.552 31.823 -0.681 0.000 0.999 478 V HN 0.786 nan 8.190 nan 0.000 0.472 479 L N 3.119 124.281 121.223 -0.101 0.000 2.793 479 L HA 0.727 5.067 4.340 -0.000 0.000 0.242 479 L C 0.303 177.192 176.870 0.032 0.000 1.315 479 L CA -0.499 54.362 54.840 0.035 0.000 1.263 479 L CB 1.478 43.604 42.059 0.111 0.000 2.076 479 L HN 0.600 nan 8.230 nan 0.000 0.575 480 S N -0.148 115.607 115.700 0.091 0.000 2.543 480 S HA 0.512 4.982 4.470 -0.000 0.000 0.271 480 S C -2.725 171.955 174.600 0.132 0.000 1.148 480 S CA -1.123 57.145 58.200 0.114 0.000 0.914 480 S CB 1.934 65.182 63.200 0.079 0.000 1.096 480 S HN 0.245 nan 8.310 nan 0.000 0.471 481 P HA 0.409 nan 4.420 nan 0.000 0.272 481 P C -1.014 176.322 177.300 0.061 0.000 1.254 481 P CA -0.217 62.905 63.100 0.038 0.000 0.795 481 P CB 0.321 31.982 31.700 -0.066 0.000 1.022 482 F N -1.073 118.746 119.950 -0.218 0.000 2.678 482 F HA 0.371 4.898 4.527 0.000 0.000 0.308 482 F C -1.499 174.097 175.800 -0.340 0.000 1.118 482 F CA -0.807 57.004 58.000 -0.316 0.000 0.959 482 F CB 1.238 40.071 39.000 -0.279 0.000 1.305 482 F HN 0.095 nan 8.300 nan 0.000 0.443 483 Y N 4.354 124.287 120.300 -0.612 0.000 2.595 483 Y HA 0.400 4.950 4.550 -0.000 0.000 0.336 483 Y C -0.844 174.899 175.900 -0.261 0.000 0.996 483 Y CA -0.818 57.083 58.100 -0.332 0.000 1.260 483 Y CB -0.030 38.158 38.460 -0.453 0.000 1.108 483 Y HN 0.334 nan 8.280 nan 0.000 0.509 484 Y N 1.035 121.490 120.300 0.259 0.000 2.316 484 Y HA 0.273 4.823 4.550 -0.000 0.000 0.324 484 Y C 0.150 176.161 175.900 0.185 0.000 1.267 484 Y CA -0.749 57.544 58.100 0.321 0.000 1.311 484 Y CB 0.603 39.235 38.460 0.287 0.000 1.267 484 Y HN 0.433 nan 8.280 nan 0.000 0.516 485 Y N 0.832 121.283 120.300 0.251 0.000 2.282 485 Y HA 0.325 4.875 4.550 -0.000 0.000 0.335 485 Y C -0.033 175.940 175.900 0.122 0.000 1.335 485 Y CA -0.437 57.736 58.100 0.121 0.000 1.529 485 Y CB 0.752 39.248 38.460 0.060 0.000 1.429 485 Y HN 0.458 nan 8.280 nan 0.000 0.563 486 Q N -0.368 119.566 119.800 0.224 0.000 2.472 486 Q HA 0.477 4.817 4.340 -0.000 0.000 0.281 486 Q C -1.694 174.305 176.000 -0.002 0.000 0.997 486 Q CA -0.925 54.935 55.803 0.095 0.000 0.828 486 Q CB 1.639 30.414 28.738 0.060 0.000 1.443 486 Q HN 0.563 nan 8.270 nan 0.000 0.390 487 I N 1.961 122.496 120.570 -0.058 0.000 2.668 487 I HA -0.059 4.111 4.170 -0.000 0.000 0.285 487 I C 0.308 176.241 176.117 -0.306 0.000 1.168 487 I CA 0.282 61.492 61.300 -0.151 0.000 1.424 487 I CB 0.185 38.106 38.000 -0.132 0.000 1.377 487 I HN 0.560 nan 8.210 nan 0.000 0.560 488 E N 9.422 129.336 120.200 -0.477 0.000 2.752 488 E HA -0.086 4.264 4.350 -0.000 0.000 0.241 488 E C -1.274 174.725 176.600 -1.002 0.000 1.016 488 E CA -0.886 54.943 56.400 -0.953 0.000 0.952 488 E CB 0.085 28.883 29.700 -1.504 0.000 0.921 488 E HN 0.472 nan 8.360 nan 0.000 0.515 489 P HA -0.221 nan 4.420 nan 0.000 0.218 489 P C 0.879 177.694 177.300 -0.809 0.000 1.150 489 P CA 1.605 64.212 63.100 -0.823 0.000 0.841 489 P CB -0.192 30.798 31.700 -1.183 0.000 0.784 490 W N 0.499 121.284 121.300 -0.858 0.000 2.825 490 W HA 0.183 4.843 4.660 0.000 0.000 0.243 490 W C 1.656 178.177 176.519 0.005 0.000 1.293 490 W CA 0.224 57.361 57.345 -0.345 0.000 1.403 490 W CB -1.084 28.350 29.460 -0.044 0.000 1.134 490 W HN -0.104 nan 8.180 nan 0.000 0.666 491 K N 0.527 120.769 120.400 -0.264 0.000 2.202 491 K HA 0.035 4.355 4.320 -0.000 0.000 0.201 491 K C 0.855 177.453 176.600 -0.003 0.000 1.051 491 K CA 1.402 57.622 56.287 -0.111 0.000 0.977 491 K CB -0.107 32.245 32.500 -0.247 0.000 0.792 491 K HN 0.123 nan 8.250 nan 0.000 0.469 492 T N -0.762 113.771 114.554 -0.036 0.000 3.390 492 T HA 0.258 4.608 4.350 -0.000 0.000 0.315 492 T C -0.937 173.857 174.700 0.156 0.000 1.799 492 T CA -0.738 61.385 62.100 0.038 0.000 1.553 492 T CB -0.066 68.789 68.868 -0.021 0.000 1.002 492 T HN 0.061 nan 8.240 nan 0.000 0.715 493 H N 0.645 119.796 119.070 0.135 0.000 2.851 493 H HA 0.636 5.192 4.556 -0.000 0.000 0.372 493 H C -0.862 174.588 175.328 0.203 0.000 1.158 493 H CA -1.114 55.041 56.048 0.178 0.000 1.159 493 H CB 1.359 31.303 29.762 0.303 0.000 1.757 493 H HN 0.427 nan 8.280 nan 0.000 0.546 494 I N 2.705 122.843 120.570 -0.721 0.000 2.474 494 I HA 0.072 4.242 4.170 -0.000 0.000 0.287 494 I C -0.556 175.259 176.117 -0.503 0.000 1.048 494 I CA 0.056 61.090 61.300 -0.443 0.000 1.383 494 I CB 0.730 38.476 38.000 -0.424 0.000 1.412 494 I HN 0.460 nan 8.210 nan 0.000 0.531 495 W N 6.555 127.810 121.300 -0.075 0.000 2.453 495 W HA 0.330 4.990 4.660 -0.000 0.000 0.298 495 W C 0.041 176.558 176.519 -0.004 0.000 0.983 495 W CA -0.517 56.832 57.345 0.007 0.000 1.600 495 W CB 0.763 30.260 29.460 0.061 0.000 1.430 495 W HN 0.449 nan 8.180 nan 0.000 0.422 496 Q N 0.000 119.829 119.800 0.049 0.000 2.315 496 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 496 Q CA 0.000 55.830 55.803 0.045 0.000 1.022 496 Q CB 0.000 28.724 28.738 -0.023 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481