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 3nqs_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATXXXXXXX XXCLGSIMNP 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 N 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 0.000 176.193 176.000 0.322 0.000 1.003 77 Q CA 0.000 55.870 55.803 0.112 0.000 1.022 77 Q CB 0.000 28.766 28.738 0.047 0.000 1.108 78 Y N -2.231 118.153 120.300 0.139 0.000 2.638 78 Y HA 0.807 5.357 4.550 0.000 0.000 0.335 78 Y C -0.760 175.141 175.900 0.003 0.000 1.155 78 Y CA -1.875 56.295 58.100 0.117 0.000 1.046 78 Y CB 1.399 39.885 38.460 0.043 0.000 1.303 78 Y HN 0.239 nan 8.280 nan 0.000 0.460 79 V N 3.156 123.172 119.914 0.170 0.000 2.398 79 V HA 0.476 4.596 4.120 0.000 0.000 0.286 79 V C 0.017 176.224 176.094 0.189 0.000 1.026 79 V CA -0.821 61.476 62.300 -0.005 0.000 0.868 79 V CB 1.255 32.922 31.823 -0.259 0.000 0.982 79 V HN 0.822 nan 8.190 nan 0.000 0.443 80 R N 4.750 125.335 120.500 0.142 0.000 2.389 80 R HA 0.445 4.785 4.340 0.000 0.000 0.295 80 R C -1.127 175.247 176.300 0.122 0.000 1.075 80 R CA -0.315 55.900 56.100 0.193 0.000 1.005 80 R CB 0.476 30.863 30.300 0.145 0.000 0.987 80 R HN 0.519 nan 8.270 nan 0.000 0.452 81 I N 4.240 124.876 120.570 0.110 0.000 2.498 81 I HA 0.320 4.490 4.170 0.000 0.000 0.290 81 I C -0.459 175.655 176.117 -0.005 0.000 1.032 81 I CA -0.593 60.741 61.300 0.055 0.000 1.073 81 I CB 1.783 39.799 38.000 0.026 0.000 1.251 81 I HN 0.660 nan 8.210 nan 0.000 0.426 82 K N 4.639 125.043 120.400 0.006 0.000 2.316 82 K HA 0.409 4.729 4.320 0.000 0.000 0.251 82 K C -0.831 175.743 176.600 -0.043 0.000 0.934 82 K CA -0.620 55.595 56.287 -0.121 0.000 0.802 82 K CB 2.065 34.354 32.500 -0.353 0.000 1.171 82 K HN 0.621 nan 8.250 nan 0.000 0.426 83 N N 3.277 121.927 118.700 -0.083 0.000 2.457 83 N HA 0.178 4.918 4.740 0.000 0.000 0.250 83 N C -0.521 175.006 175.510 0.027 0.000 0.982 83 N CA -0.681 52.417 53.050 0.079 0.000 0.941 83 N CB 0.514 39.036 38.487 0.059 0.000 1.120 83 N HN 0.538 nan 8.380 nan 0.000 0.505 84 W N 2.552 123.933 121.300 0.134 0.000 3.310 84 W HA 0.266 4.926 4.660 0.000 0.000 0.259 84 W C 1.636 178.213 176.519 0.098 0.000 1.324 84 W CA -0.339 57.079 57.345 0.122 0.000 1.636 84 W CB 0.264 29.814 29.460 0.149 0.000 1.104 84 W HN 0.672 nan 8.180 nan 0.000 0.722 85 G N -0.794 108.132 108.800 0.211 0.000 2.742 85 G HA2 -0.095 3.865 3.960 0.000 0.000 0.204 85 G HA3 -0.095 3.865 3.960 0.000 0.000 0.204 85 G C 1.456 176.363 174.900 0.012 0.000 1.126 85 G CA 0.721 45.842 45.100 0.036 0.000 0.829 85 G HN 0.197 nan 8.290 nan 0.000 0.574 86 S N -0.707 115.002 115.700 0.015 0.000 2.524 86 S HA 0.379 4.849 4.470 0.000 0.000 0.215 86 S C 1.903 176.476 174.600 -0.045 0.000 0.986 86 S CA 1.085 59.276 58.200 -0.014 0.000 0.911 86 S CB 0.362 63.557 63.200 -0.009 0.000 0.805 86 S HN 1.548 nan 8.310 nan 0.000 0.501 87 G N 1.360 110.114 108.800 -0.076 0.000 2.184 87 G HA2 -0.253 3.707 3.960 0.000 0.000 0.264 87 G HA3 -0.253 3.707 3.960 0.000 0.000 0.264 87 G C -0.126 174.683 174.900 -0.151 0.000 0.975 87 G CA 0.266 45.278 45.100 -0.147 0.000 0.642 87 G HN 0.548 nan 8.290 nan 0.000 0.536 88 E N 0.524 120.658 120.200 -0.110 0.000 2.442 88 E HA 0.279 4.629 4.350 0.000 0.000 0.262 88 E C 0.746 177.263 176.600 -0.138 0.000 1.004 88 E CA 0.245 56.578 56.400 -0.112 0.000 0.928 88 E CB 0.877 30.523 29.700 -0.091 0.000 0.937 88 E HN 0.334 nan 8.360 nan 0.000 0.446 89 I N 3.231 123.718 120.570 -0.139 0.000 2.562 89 I HA 0.422 4.592 4.170 0.000 0.000 0.301 89 I C 0.254 176.267 176.117 -0.173 0.000 1.003 89 I CA -0.716 60.508 61.300 -0.127 0.000 1.127 89 I CB 1.022 38.974 38.000 -0.079 0.000 1.304 89 I HN 0.301 nan 8.210 nan 0.000 0.446 90 L N 4.517 125.651 121.223 -0.148 0.000 2.393 90 L HA 0.473 4.813 4.340 0.000 0.000 0.260 90 L C -0.721 176.187 176.870 0.063 0.000 1.002 90 L CA -0.687 54.017 54.840 -0.226 0.000 0.818 90 L CB 2.685 44.392 42.059 -0.586 0.000 1.369 90 L HN 0.537 nan 8.230 nan 0.000 0.412 91 H N 0.993 120.031 119.070 -0.053 0.000 2.551 91 H HA 0.196 4.752 4.556 0.000 0.000 0.321 91 H C -1.201 174.287 175.328 0.266 0.000 1.028 91 H CA -0.757 55.289 56.048 -0.004 0.000 1.215 91 H CB 2.265 31.763 29.762 -0.441 0.000 1.414 91 H HN 0.431 nan 8.280 nan 0.000 0.480 92 D N 2.823 123.498 120.400 0.459 0.000 2.317 92 D HA 0.033 4.673 4.640 0.000 0.000 0.234 92 D C 0.759 177.261 176.300 0.336 0.000 1.112 92 D CA -0.124 54.124 54.000 0.414 0.000 0.840 92 D CB 1.414 42.432 40.800 0.363 0.000 1.078 92 D HN 0.722 nan 8.370 nan 0.000 0.486 93 T N 0.997 115.680 114.554 0.214 0.000 2.969 93 T HA -0.043 4.307 4.350 0.000 0.000 0.250 93 T C 1.876 176.527 174.700 -0.081 0.000 1.021 93 T CA -0.243 61.931 62.100 0.124 0.000 1.003 93 T CB 0.050 69.023 68.868 0.174 0.000 1.040 93 T HN 0.244 nan 8.240 nan 0.000 0.492 94 L N 3.272 124.462 121.223 -0.054 0.000 2.187 94 L HA -0.111 4.229 4.340 0.000 0.000 0.213 94 L C 2.528 179.202 176.870 -0.327 0.000 1.100 94 L CA 1.846 56.624 54.840 -0.104 0.000 0.765 94 L CB -0.922 41.128 42.059 -0.014 0.000 0.904 94 L HN 0.592 nan 8.230 nan 0.000 0.437 95 H N -2.578 116.053 119.070 -0.732 0.000 2.518 95 H HA -0.178 4.378 4.556 0.000 0.000 0.289 95 H C 1.673 176.655 175.328 -0.576 0.000 1.051 95 H CA 1.796 57.110 56.048 -1.224 0.000 1.280 95 H CB -0.964 28.110 29.762 -1.147 0.000 1.380 95 H HN 0.582 nan 8.280 nan 0.000 0.566 96 H N 1.202 119.781 119.070 -0.818 0.000 2.457 96 H HA 0.043 4.599 4.556 0.000 0.000 0.294 96 H C 1.519 176.690 175.328 -0.262 0.000 1.064 96 H CA 0.950 56.685 56.048 -0.522 0.000 1.330 96 H CB 0.339 29.851 29.762 -0.416 0.000 1.395 96 H HN 0.343 nan 8.280 nan 0.000 0.541 97 K N 0.837 121.176 120.400 -0.102 0.000 2.505 97 K HA 0.207 4.527 4.320 0.000 0.000 0.192 97 K C 0.501 177.088 176.600 -0.023 0.000 1.025 97 K CA -0.146 56.121 56.287 -0.035 0.000 1.086 97 K CB 0.620 33.115 32.500 -0.008 0.000 0.840 97 K HN 0.155 nan 8.250 nan 0.000 0.514 98 A N 1.805 124.588 122.820 -0.062 0.000 2.406 98 A HA 0.136 4.456 4.320 0.000 0.000 0.243 98 A C 0.800 178.379 177.584 -0.010 0.000 1.082 98 A CA -0.255 51.775 52.037 -0.011 0.000 0.786 98 A CB 0.152 19.137 19.000 -0.024 0.000 1.029 98 A HN 0.339 nan 8.150 nan 0.000 0.495 110 L N 5.612 126.854 121.223 0.032 0.000 2.865 110 L HA 0.402 4.742 4.340 0.000 0.000 0.233 110 L C 1.675 178.580 176.870 0.058 0.000 1.320 110 L CA 1.137 56.004 54.840 0.044 0.000 1.225 110 L CB 0.197 42.285 42.059 0.047 0.000 1.542 110 L HN 0.897 nan 8.230 nan 0.000 0.432 111 G N -0.226 108.607 108.800 0.053 0.000 2.394 111 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 111 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 111 G C 1.388 176.354 174.900 0.110 0.000 1.165 111 G CA 0.863 46.005 45.100 0.070 0.000 0.784 111 G HN 0.541 nan 8.290 nan 0.000 0.535 112 S N 0.280 116.042 115.700 0.104 0.000 2.710 112 S HA 0.341 4.811 4.470 0.000 0.000 0.224 112 S C 0.550 175.238 174.600 0.147 0.000 0.948 112 S CA -0.576 57.707 58.200 0.137 0.000 0.949 112 S CB -0.147 63.114 63.200 0.102 0.000 0.778 112 S HN 0.027 nan 8.310 nan 0.000 0.498 113 I N 2.586 123.238 120.570 0.137 0.000 2.416 113 I HA 0.191 4.361 4.170 0.000 0.000 0.288 113 I C 1.598 177.830 176.117 0.191 0.000 1.051 113 I CA -0.322 61.059 61.300 0.134 0.000 1.375 113 I CB 0.292 38.354 38.000 0.102 0.000 1.407 113 I HN 0.262 nan 8.210 nan 0.000 0.516 114 M N 4.598 124.316 119.600 0.197 0.000 2.067 114 M HA -0.111 4.369 4.480 0.000 0.000 0.260 114 M C 0.444 176.873 176.300 0.215 0.000 1.069 114 M CA 1.684 57.143 55.300 0.266 0.000 1.117 114 M CB -0.420 32.297 32.600 0.195 0.000 1.334 114 M HN 0.492 nan 8.290 nan 0.000 0.407 115 N N 1.115 119.886 118.700 0.119 0.000 2.918 115 N HA 0.309 5.049 4.740 0.000 0.000 0.270 115 N C -2.421 173.169 175.510 0.133 0.000 1.536 115 N CA -0.758 52.350 53.050 0.096 0.000 0.877 115 N CB 0.755 39.201 38.487 -0.068 0.000 1.190 115 N HN 0.259 nan 8.380 nan 0.000 0.492 116 P HA 0.219 nan 4.420 nan 0.000 0.276 116 P C 0.592 177.971 177.300 0.132 0.000 1.244 116 P CA -0.342 62.830 63.100 0.121 0.000 0.801 116 P CB 2.012 33.776 31.700 0.106 0.000 1.006 117 K N 0.494 120.949 120.400 0.092 0.000 2.152 117 K HA -0.109 4.211 4.320 0.000 0.000 0.206 117 K C 2.053 178.710 176.600 0.096 0.000 1.048 117 K CA 1.934 58.271 56.287 0.082 0.000 0.933 117 K CB -0.390 32.139 32.500 0.048 0.000 0.721 117 K HN 0.554 nan 8.250 nan 0.000 0.447 118 S N 0.849 116.601 115.700 0.087 0.000 2.442 118 S HA -0.078 4.392 4.470 0.000 0.000 0.236 118 S C 1.605 176.284 174.600 0.133 0.000 1.007 118 S CA 0.836 59.083 58.200 0.078 0.000 0.965 118 S CB -0.213 63.010 63.200 0.038 0.000 0.773 118 S HN 0.235 nan 8.310 nan 0.000 0.504 119 L N 1.017 122.348 121.223 0.179 0.000 2.728 119 L HA 0.297 4.637 4.340 0.000 0.000 0.238 119 L C -0.173 176.938 176.870 0.402 0.000 1.143 119 L CA -0.072 54.905 54.840 0.227 0.000 0.937 119 L CB 0.256 42.364 42.059 0.081 0.000 1.225 119 L HN 0.188 nan 8.230 nan 0.000 0.507 120 T N 0.021 114.788 114.554 0.355 0.000 2.807 120 T HA 0.445 4.795 4.350 0.000 0.000 0.279 120 T C -0.465 174.292 174.700 0.096 0.000 0.993 120 T CA -0.458 61.812 62.100 0.283 0.000 0.970 120 T CB 2.289 71.271 68.868 0.190 0.000 0.950 120 T HN -0.082 nan 8.240 nan 0.000 0.441 121 R N 1.982 122.494 120.500 0.021 0.000 2.358 121 R HA 0.594 4.934 4.340 0.000 0.000 0.309 121 R C 0.472 176.731 176.300 -0.068 0.000 1.026 121 R CA -0.414 55.578 56.100 -0.180 0.000 0.909 121 R CB 0.216 30.270 30.300 -0.410 0.000 1.153 121 R HN 0.825 nan 8.270 nan 0.000 0.515 122 G N 3.512 112.273 108.800 -0.066 0.000 2.570 122 G HA2 0.322 4.282 3.960 0.000 0.000 0.276 122 G HA3 0.322 4.282 3.960 0.000 0.000 0.276 122 G C -1.994 172.874 174.900 -0.053 0.000 1.346 122 G CA -0.842 44.227 45.100 -0.052 0.000 1.034 122 G HN 0.592 nan 8.290 nan 0.000 0.512 123 P HA 0.429 nan 4.420 nan 0.000 0.277 123 P C -0.803 176.475 177.300 -0.037 0.000 1.271 123 P CA -0.390 62.684 63.100 -0.044 0.000 0.795 123 P CB 1.340 33.009 31.700 -0.052 0.000 1.101 124 R N -0.457 120.026 120.500 -0.029 0.000 2.764 124 R HA 0.307 4.647 4.340 0.000 0.000 0.270 124 R C -0.530 175.758 176.300 -0.019 0.000 1.014 124 R CA -0.563 55.523 56.100 -0.022 0.000 0.904 124 R CB 1.127 31.416 30.300 -0.017 0.000 1.236 124 R HN 0.414 nan 8.270 nan 0.000 0.466 125 D N -0.219 120.172 120.400 -0.015 0.000 2.503 125 D HA 0.179 4.819 4.640 0.000 0.000 0.218 125 D C -0.399 175.901 176.300 0.001 0.000 1.183 125 D CA -0.128 53.864 54.000 -0.014 0.000 0.827 125 D CB 0.613 41.401 40.800 -0.020 0.000 1.034 125 D HN 0.215 nan 8.370 nan 0.000 0.510 126 K N 0.108 120.511 120.400 0.005 0.000 2.532 126 K HA 0.497 4.817 4.320 0.000 0.000 0.265 126 K C -2.979 173.629 176.600 0.014 0.000 0.948 126 K CA -1.959 54.335 56.287 0.013 0.000 0.842 126 K CB 2.507 35.012 32.500 0.008 0.000 1.392 126 K HN -0.211 nan 8.250 nan 0.000 0.436 127 P HA 0.018 nan 4.420 nan 0.000 0.270 127 P C -0.775 176.533 177.300 0.015 0.000 1.223 127 P CA -0.171 62.940 63.100 0.019 0.000 0.785 127 P CB 0.350 32.064 31.700 0.023 0.000 0.923 128 T N 3.552 118.115 114.554 0.016 0.000 2.853 128 T HA 0.141 4.491 4.350 0.000 0.000 0.298 128 T C -2.089 172.624 174.700 0.021 0.000 0.978 128 T CA -0.617 61.496 62.100 0.021 0.000 1.152 128 T CB -0.679 68.210 68.868 0.036 0.000 0.914 128 T HN 0.294 nan 8.240 nan 0.000 0.539 129 P HA 0.055 nan 4.420 nan 0.000 0.262 129 P C 0.688 177.988 177.300 0.000 0.000 1.182 129 P CA -0.271 62.831 63.100 0.004 0.000 0.761 129 P CB 0.411 32.109 31.700 -0.004 0.000 0.795 130 L N 3.521 124.745 121.223 0.001 0.000 2.079 130 L HA -0.222 4.118 4.340 0.000 0.000 0.210 130 L C 2.324 179.179 176.870 -0.025 0.000 1.081 130 L CA 1.796 56.634 54.840 -0.003 0.000 0.752 130 L CB -1.135 40.924 42.059 -0.000 0.000 0.896 130 L HN 0.513 nan 8.230 nan 0.000 0.433 131 E N -0.177 120.004 120.200 -0.032 0.000 2.265 131 E HA -0.234 4.116 4.350 0.000 0.000 0.196 131 E C 1.559 178.104 176.600 -0.091 0.000 0.996 131 E CA 1.447 57.817 56.400 -0.050 0.000 0.832 131 E CB -0.262 29.414 29.700 -0.039 0.000 0.756 131 E HN 0.642 nan 8.360 nan 0.000 0.491 132 E N 0.309 120.453 120.200 -0.094 0.000 2.127 132 E HA -0.007 4.343 4.350 0.000 0.000 0.191 132 E C 2.129 178.594 176.600 -0.225 0.000 0.964 132 E CA 0.303 56.595 56.400 -0.180 0.000 0.832 132 E CB -0.088 29.565 29.700 -0.078 0.000 0.790 132 E HN 0.098 nan 8.360 nan 0.000 0.465 133 L N 1.549 122.740 121.223 -0.054 0.000 1.970 133 L HA -0.165 4.175 4.340 0.000 0.000 0.212 133 L C 2.240 179.120 176.870 0.017 0.000 1.071 133 L CA 1.466 56.330 54.840 0.040 0.000 0.751 133 L CB -0.696 41.411 42.059 0.079 0.000 0.889 133 L HN 0.132 nan 8.230 nan 0.000 0.432 134 L N 0.170 121.374 121.223 -0.030 0.000 2.013 134 L HA -0.142 4.198 4.340 0.000 0.000 0.212 134 L C -0.451 176.398 176.870 -0.035 0.000 1.073 134 L CA 2.291 57.103 54.840 -0.047 0.000 0.753 134 L CB -1.909 40.120 42.059 -0.050 0.000 0.890 134 L HN 0.209 nan 8.230 nan 0.000 0.432 135 P HA -0.145 nan 4.420 nan 0.000 0.215 135 P C 1.255 178.594 177.300 0.066 0.000 1.153 135 P CA 1.592 64.662 63.100 -0.051 0.000 0.853 135 P CB -0.198 31.413 31.700 -0.149 0.000 0.788 136 H N -0.670 118.443 119.070 0.072 0.000 2.387 136 H HA 0.032 4.588 4.556 0.000 0.000 0.299 136 H C 1.972 177.401 175.328 0.170 0.000 1.090 136 H CA 1.383 57.499 56.048 0.114 0.000 1.332 136 H CB -1.134 28.691 29.762 0.105 0.000 1.386 136 H HN 0.045 nan 8.280 nan 0.000 0.516 137 A N 1.434 124.402 122.820 0.248 0.000 1.877 137 A HA -0.117 4.203 4.320 0.000 0.000 0.216 137 A C 2.452 180.135 177.584 0.165 0.000 1.186 137 A CA 1.289 53.429 52.037 0.171 0.000 0.620 137 A CB -0.504 18.368 19.000 -0.213 0.000 0.822 137 A HN 0.199 nan 8.150 nan 0.000 0.443 138 I N -0.012 120.617 120.570 0.099 0.000 2.179 138 I HA -0.216 3.954 4.170 0.000 0.000 0.242 138 I C 2.483 178.697 176.117 0.162 0.000 1.088 138 I CA 2.056 63.417 61.300 0.101 0.000 1.357 138 I CB -1.381 36.654 38.000 0.058 0.000 1.051 138 I HN 0.462 nan 8.210 nan 0.000 0.409 139 E N 1.389 121.702 120.200 0.189 0.000 2.058 139 E HA -0.290 4.060 4.350 0.000 0.000 0.194 139 E C 2.195 178.939 176.600 0.240 0.000 0.997 139 E CA 1.626 58.146 56.400 0.201 0.000 0.801 139 E CB -0.657 29.174 29.700 0.218 0.000 0.746 139 E HN 0.359 nan 8.360 nan 0.000 0.450 140 F N 0.633 120.689 119.950 0.176 0.000 2.102 140 F HA -0.127 4.400 4.527 0.000 0.000 0.298 140 F C 1.907 177.835 175.800 0.214 0.000 1.105 140 F CA 1.258 59.380 58.000 0.204 0.000 1.239 140 F CB -0.282 38.853 39.000 0.226 0.000 0.991 140 F HN 0.060 nan 8.300 nan 0.000 0.474 141 I N 0.947 121.529 120.570 0.021 0.000 2.264 141 I HA -0.306 3.864 4.170 0.000 0.000 0.248 141 I C 1.965 178.105 176.117 0.038 0.000 1.111 141 I CA 1.212 62.514 61.300 0.003 0.000 1.382 141 I CB -1.598 36.525 38.000 0.205 0.000 1.060 141 I HN 0.253 nan 8.210 nan 0.000 0.418 142 N N 0.645 119.404 118.700 0.099 0.000 2.188 142 N HA -0.209 4.531 4.740 0.000 0.000 0.184 142 N C 1.840 177.320 175.510 -0.051 0.000 1.018 142 N CA 0.936 54.051 53.050 0.109 0.000 0.858 142 N CB -0.350 38.251 38.487 0.190 0.000 0.989 142 N HN 0.518 nan 8.380 nan 0.000 0.426 143 Q N -0.248 119.519 119.800 -0.055 0.000 2.084 143 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 143 Q C 2.013 177.830 176.000 -0.306 0.000 0.978 143 Q CA 1.157 56.925 55.803 -0.060 0.000 0.844 143 Q CB -0.177 28.631 28.738 0.117 0.000 0.898 143 Q HN 0.482 nan 8.270 nan 0.000 0.426 144 Y N -0.233 119.620 120.300 -0.745 0.000 2.089 144 Y HA -0.307 4.243 4.550 0.000 0.000 0.282 144 Y C 1.644 176.880 175.900 -1.107 0.000 1.139 144 Y CA 2.047 59.352 58.100 -1.326 0.000 1.123 144 Y CB -0.398 37.276 38.460 -1.309 0.000 0.980 144 Y HN 0.169 nan 8.280 nan 0.000 0.493 145 Y N -0.032 119.852 120.300 -0.693 0.000 2.421 145 Y HA -0.031 4.519 4.550 0.000 0.000 0.292 145 Y C 2.520 178.201 175.900 -0.366 0.000 1.136 145 Y CA 1.171 58.980 58.100 -0.485 0.000 1.255 145 Y CB -0.732 37.340 38.460 -0.646 0.000 0.991 145 Y HN 0.260 nan 8.280 nan 0.000 0.552 146 G N -1.428 107.201 108.800 -0.284 0.000 2.744 146 G HA2 -0.143 3.817 3.960 0.000 0.000 0.211 146 G HA3 -0.143 3.817 3.960 0.000 0.000 0.211 146 G C 1.586 176.358 174.900 -0.213 0.000 1.143 146 G CA 0.825 45.837 45.100 -0.147 0.000 0.788 146 G HN 0.442 nan 8.290 nan 0.000 0.534 147 S N -0.286 115.122 115.700 -0.487 0.000 2.558 147 S HA 0.297 4.767 4.470 0.000 0.000 0.217 147 S C 0.463 174.801 174.600 -0.437 0.000 0.975 147 S CA -0.608 57.327 58.200 -0.442 0.000 0.912 147 S CB -0.240 62.647 63.200 -0.522 0.000 0.776 147 S HN 0.013 nan 8.310 nan 0.000 0.526 148 F N 2.760 122.556 119.950 -0.257 0.000 2.459 148 F HA 0.425 4.952 4.527 0.000 0.000 0.346 148 F C 1.638 177.380 175.800 -0.098 0.000 1.128 148 F CA -0.881 57.005 58.000 -0.190 0.000 1.268 148 F CB 0.703 39.577 39.000 -0.210 0.000 1.161 148 F HN -0.011 nan 8.300 nan 0.000 0.583 149 K N 1.020 121.501 120.400 0.136 0.000 2.001 149 K HA -0.080 4.240 4.320 0.000 0.000 0.208 149 K C -0.169 176.468 176.600 0.062 0.000 1.048 149 K CA 1.349 57.677 56.287 0.069 0.000 0.932 149 K CB 0.042 32.573 32.500 0.051 0.000 0.715 149 K HN 0.654 nan 8.250 nan 0.000 0.437 150 E N 0.838 121.073 120.200 0.059 0.000 2.092 150 E HA 0.272 4.622 4.350 0.000 0.000 0.271 150 E C -1.157 175.454 176.600 0.019 0.000 0.919 150 E CA -0.696 55.718 56.400 0.024 0.000 0.760 150 E CB 1.633 31.330 29.700 -0.005 0.000 1.106 150 E HN 0.340 nan 8.360 nan 0.000 0.408 151 A N 3.969 126.813 122.820 0.040 0.000 2.547 151 A HA 0.007 4.327 4.320 0.000 0.000 0.233 151 A C 0.129 177.708 177.584 -0.007 0.000 1.067 151 A CA 0.360 52.429 52.037 0.054 0.000 0.763 151 A CB 0.257 19.299 19.000 0.070 0.000 1.007 151 A HN 0.600 nan 8.150 nan 0.000 0.506 152 K N 2.871 123.269 120.400 -0.003 0.000 2.762 152 K HA 0.298 4.618 4.320 0.000 0.000 0.180 152 K C 0.380 176.979 176.600 -0.002 0.000 1.067 152 K CA -0.214 56.047 56.287 -0.043 0.000 0.973 152 K CB 0.574 32.995 32.500 -0.132 0.000 1.290 152 K HN 0.701 nan 8.250 nan 0.000 0.604 153 I N 0.790 121.363 120.570 0.006 0.000 2.145 153 I HA -0.383 3.787 4.170 0.000 0.000 0.244 153 I C 2.485 178.565 176.117 -0.062 0.000 1.075 153 I CA 1.692 62.989 61.300 -0.006 0.000 1.332 153 I CB -0.074 37.914 38.000 -0.021 0.000 1.033 153 I HN 0.628 nan 8.210 nan 0.000 0.410 154 E N 1.171 121.334 120.200 -0.062 0.000 2.058 154 E HA -0.257 4.093 4.350 0.000 0.000 0.194 154 E C 2.042 178.585 176.600 -0.094 0.000 0.997 154 E CA 1.508 57.865 56.400 -0.071 0.000 0.801 154 E CB 0.019 29.689 29.700 -0.050 0.000 0.746 154 E HN 0.515 nan 8.360 nan 0.000 0.450 155 E N -0.658 119.484 120.200 -0.096 0.000 2.110 155 E HA -0.224 4.126 4.350 0.000 0.000 0.193 155 E C 2.050 178.420 176.600 -0.383 0.000 0.988 155 E CA 1.066 57.399 56.400 -0.112 0.000 0.804 155 E CB -0.276 29.441 29.700 0.028 0.000 0.745 155 E HN 0.492 nan 8.360 nan 0.000 0.458 156 H N 0.491 119.113 119.070 -0.747 0.000 2.290 156 H HA -0.130 4.426 4.556 0.000 0.000 0.298 156 H C 2.134 177.170 175.328 -0.486 0.000 1.087 156 H CA 0.833 56.246 56.048 -1.058 0.000 1.291 156 H CB 0.224 29.636 29.762 -0.584 0.000 1.369 156 H HN 0.048 nan 8.280 nan 0.000 0.492 157 L N 0.704 121.787 121.223 -0.234 0.000 2.017 157 L HA -0.146 4.194 4.340 0.000 0.000 0.208 157 L C 2.980 179.780 176.870 -0.116 0.000 1.073 157 L CA 1.579 56.299 54.840 -0.200 0.000 0.745 157 L CB -1.721 40.239 42.059 -0.166 0.000 0.894 157 L HN 0.449 nan 8.230 nan 0.000 0.432 158 A N -0.171 122.591 122.820 -0.097 0.000 1.908 158 A HA -0.267 4.053 4.320 0.000 0.000 0.218 158 A C 2.444 180.020 177.584 -0.014 0.000 1.181 158 A CA 1.947 53.957 52.037 -0.046 0.000 0.627 158 A CB -0.480 18.503 19.000 -0.029 0.000 0.818 158 A HN 0.305 nan 8.150 nan 0.000 0.445 159 R N -0.076 120.415 120.500 -0.016 0.000 2.075 159 R HA 0.034 4.375 4.340 0.000 0.000 0.232 159 R C 1.926 178.267 176.300 0.068 0.000 1.126 159 R CA 1.507 57.654 56.100 0.079 0.000 0.963 159 R CB -0.888 29.537 30.300 0.209 0.000 0.858 159 R HN 0.518 nan 8.270 nan 0.000 0.435 160 L N 0.265 121.510 121.223 0.036 0.000 2.042 160 L HA -0.182 4.158 4.340 0.000 0.000 0.210 160 L C 2.562 179.426 176.870 -0.010 0.000 1.076 160 L CA 2.034 56.888 54.840 0.023 0.000 0.749 160 L CB -0.502 41.550 42.059 -0.011 0.000 0.893 160 L HN 0.425 nan 8.230 nan 0.000 0.432 161 E N 0.083 120.271 120.200 -0.020 0.000 2.047 161 E HA -0.235 4.116 4.350 0.000 0.000 0.191 161 E C 2.211 178.808 176.600 -0.005 0.000 0.987 161 E CA 1.130 57.518 56.400 -0.020 0.000 0.799 161 E CB -0.013 29.672 29.700 -0.024 0.000 0.752 161 E HN 0.449 nan 8.360 nan 0.000 0.449 162 A N 0.609 123.437 122.820 0.012 0.000 1.902 162 A HA -0.144 4.176 4.320 0.000 0.000 0.217 162 A C 2.398 180.000 177.584 0.030 0.000 1.181 162 A CA 1.518 53.573 52.037 0.031 0.000 0.623 162 A CB -0.675 18.358 19.000 0.054 0.000 0.818 162 A HN 0.237 nan 8.150 nan 0.000 0.443 163 V N -0.320 119.601 119.914 0.012 0.000 2.307 163 V HA -0.223 3.897 4.120 0.000 0.000 0.245 163 V C 2.746 178.781 176.094 -0.099 0.000 1.045 163 V CA 2.452 64.716 62.300 -0.060 0.000 1.024 163 V CB -1.308 30.415 31.823 -0.165 0.000 0.651 163 V HN 0.611 nan 8.190 nan 0.000 0.449 164 T N -0.387 114.124 114.554 -0.072 0.000 2.684 164 T HA -0.235 4.115 4.350 0.000 0.000 0.267 164 T C 2.031 176.715 174.700 -0.027 0.000 1.036 164 T CA 1.649 63.714 62.100 -0.058 0.000 1.148 164 T CB -0.268 68.575 68.868 -0.041 0.000 0.863 164 T HN 0.262 nan 8.240 nan 0.000 0.436 165 K N 1.126 121.520 120.400 -0.009 0.000 2.057 165 K HA -0.035 4.285 4.320 0.000 0.000 0.207 165 K C 2.218 178.831 176.600 0.021 0.000 1.049 165 K CA 1.168 57.458 56.287 0.006 0.000 0.931 165 K CB -0.324 32.182 32.500 0.011 0.000 0.714 165 K HN 0.482 nan 8.250 nan 0.000 0.440 166 E N 0.109 120.330 120.200 0.034 0.000 2.106 166 E HA -0.124 4.226 4.350 0.000 0.000 0.192 166 E C 1.801 178.443 176.600 0.070 0.000 0.984 166 E CA 0.947 57.387 56.400 0.067 0.000 0.806 166 E CB -0.003 29.766 29.700 0.116 0.000 0.750 166 E HN 0.238 nan 8.360 nan 0.000 0.458 167 I N 0.881 121.478 120.570 0.044 0.000 2.252 167 I HA -0.233 3.937 4.170 0.000 0.000 0.245 167 I C 2.183 178.318 176.117 0.031 0.000 1.102 167 I CA 1.155 62.483 61.300 0.045 0.000 1.385 167 I CB -0.221 37.776 38.000 -0.005 0.000 1.064 167 I HN 0.150 nan 8.210 nan 0.000 0.414 168 E N 0.319 120.529 120.200 0.016 0.000 2.072 168 E HA -0.194 4.156 4.350 0.000 0.000 0.191 168 E C 2.144 178.755 176.600 0.019 0.000 0.985 168 E CA 1.992 58.400 56.400 0.012 0.000 0.801 168 E CB -0.126 29.577 29.700 0.005 0.000 0.750 168 E HN 0.583 nan 8.360 nan 0.000 0.452 169 T N -1.861 112.708 114.554 0.024 0.000 3.043 169 T HA -0.037 4.313 4.350 0.000 0.000 0.263 169 T C 1.979 176.697 174.700 0.031 0.000 1.094 169 T CA 1.319 63.434 62.100 0.026 0.000 1.127 169 T CB -0.001 68.882 68.868 0.026 0.000 0.905 169 T HN 0.200 nan 8.240 nan 0.000 0.490 170 T N -3.389 111.190 114.554 0.041 0.000 2.958 170 T HA 0.526 4.876 4.350 0.000 0.000 0.256 170 T C 1.837 176.564 174.700 0.045 0.000 0.983 170 T CA 0.650 62.776 62.100 0.043 0.000 0.924 170 T CB 0.079 68.979 68.868 0.053 0.000 1.136 170 T HN 0.876 nan 8.240 nan 0.000 0.506 171 G N 0.285 109.115 108.800 0.050 0.000 2.176 171 G HA2 -0.142 3.818 3.960 0.000 0.000 0.253 171 G HA3 -0.142 3.818 3.960 0.000 0.000 0.253 171 G C 0.183 175.127 174.900 0.073 0.000 0.979 171 G CA 0.633 45.763 45.100 0.049 0.000 0.641 171 G HN 1.062 nan 8.290 nan 0.000 0.530 172 T N -1.593 113.026 114.554 0.108 0.000 2.663 172 T HA 0.666 5.017 4.350 0.000 0.000 0.302 172 T C -1.780 173.092 174.700 0.288 0.000 1.523 172 T CA 0.613 62.818 62.100 0.175 0.000 1.011 172 T CB 1.032 69.945 68.868 0.074 0.000 1.841 172 T HN 1.747 nan 8.240 nan 0.000 0.462 173 Y N -0.322 119.991 120.300 0.023 0.000 2.677 173 Y HA 0.775 5.325 4.550 0.000 0.000 0.334 173 Y C -1.676 174.251 175.900 0.045 0.000 1.196 173 Y CA -1.204 56.921 58.100 0.041 0.000 1.059 173 Y CB 0.799 39.296 38.460 0.061 0.000 1.315 173 Y HN 0.439 nan 8.280 nan 0.000 0.455 174 Q N 2.669 122.475 119.800 0.010 0.000 2.293 174 Q HA 0.501 4.841 4.340 0.000 0.000 0.261 174 Q C -0.795 175.200 176.000 -0.008 0.000 0.960 174 Q CA -0.756 55.009 55.803 -0.063 0.000 0.882 174 Q CB 2.755 31.506 28.738 0.021 0.000 1.275 174 Q HN 0.857 nan 8.270 nan 0.000 0.445 175 L N 1.788 122.977 121.223 -0.056 0.000 2.417 175 L HA 0.238 4.578 4.340 0.000 0.000 0.268 175 L C 1.140 178.038 176.870 0.046 0.000 1.158 175 L CA -0.331 54.536 54.840 0.045 0.000 0.819 175 L CB 0.638 42.717 42.059 0.033 0.000 1.112 175 L HN 0.676 nan 8.230 nan 0.000 0.458 176 T N -0.663 113.917 114.554 0.043 0.000 2.813 176 T HA 0.089 4.439 4.350 0.000 0.000 0.297 176 T C 0.988 175.681 174.700 -0.011 0.000 1.036 176 T CA -0.703 61.407 62.100 0.016 0.000 1.044 176 T CB 0.995 69.867 68.868 0.006 0.000 0.993 176 T HN 0.472 nan 8.240 nan 0.000 0.535 177 L N 0.814 122.035 121.223 -0.004 0.000 2.042 177 L HA -0.053 4.287 4.340 0.000 0.000 0.210 177 L C 2.017 178.885 176.870 -0.003 0.000 1.076 177 L CA 1.977 56.808 54.840 -0.014 0.000 0.749 177 L CB -1.172 40.881 42.059 -0.009 0.000 0.893 177 L HN 0.741 nan 8.230 nan 0.000 0.432 178 D N -0.419 119.990 120.400 0.015 0.000 2.144 178 D HA -0.183 4.457 4.640 0.000 0.000 0.199 178 D C 2.120 178.435 176.300 0.026 0.000 0.984 178 D CA 1.366 55.410 54.000 0.074 0.000 0.834 178 D CB 0.039 40.940 40.800 0.170 0.000 0.955 178 D HN 0.539 nan 8.370 nan 0.000 0.465 179 E N -0.102 119.969 120.200 -0.214 0.000 2.072 179 E HA -0.142 4.208 4.350 0.000 0.000 0.191 179 E C 2.032 178.733 176.600 0.169 0.000 0.985 179 E CA 0.281 56.530 56.400 -0.252 0.000 0.801 179 E CB -0.031 29.539 29.700 -0.216 0.000 0.750 179 E HN 0.100 nan 8.360 nan 0.000 0.452 180 L N 1.123 122.373 121.223 0.045 0.000 2.017 180 L HA -0.148 4.192 4.340 0.000 0.000 0.208 180 L C 2.004 178.871 176.870 -0.005 0.000 1.073 180 L CA 1.518 56.339 54.840 -0.031 0.000 0.745 180 L CB -0.259 41.730 42.059 -0.118 0.000 0.894 180 L HN 0.122 nan 8.230 nan 0.000 0.432 181 I N -1.174 119.418 120.570 0.036 0.000 2.163 181 I HA -0.347 3.823 4.170 0.000 0.000 0.243 181 I C 2.413 178.615 176.117 0.142 0.000 1.085 181 I CA 1.920 63.249 61.300 0.049 0.000 1.347 181 I CB -0.473 37.561 38.000 0.056 0.000 1.044 181 I HN 0.339 nan 8.210 nan 0.000 0.408 182 F N 1.747 121.759 119.950 0.104 0.000 2.126 182 F HA -0.275 4.252 4.527 0.000 0.000 0.299 182 F C 2.468 178.375 175.800 0.177 0.000 1.096 182 F CA 1.635 59.739 58.000 0.174 0.000 1.255 182 F CB -0.210 38.960 39.000 0.284 0.000 0.997 182 F HN 0.009 nan 8.300 nan 0.000 0.479 183 A N 0.041 122.964 122.820 0.172 0.000 1.902 183 A HA -0.203 4.118 4.320 0.000 0.000 0.217 183 A C 2.257 179.734 177.584 -0.178 0.000 1.181 183 A CA 2.406 54.423 52.037 -0.034 0.000 0.623 183 A CB -1.638 17.307 19.000 -0.091 0.000 0.818 183 A HN 0.561 nan 8.150 nan 0.000 0.443 184 T N -1.715 112.773 114.554 -0.110 0.000 2.821 184 T HA -0.133 4.217 4.350 0.000 0.000 0.267 184 T C 1.808 176.532 174.700 0.040 0.000 1.046 184 T CA 1.613 63.676 62.100 -0.061 0.000 1.139 184 T CB -0.316 68.538 68.868 -0.023 0.000 0.871 184 T HN 0.533 nan 8.240 nan 0.000 0.454 185 K N 0.166 120.605 120.400 0.065 0.000 2.062 185 K HA 0.102 4.422 4.320 0.000 0.000 0.205 185 K C 2.499 179.157 176.600 0.096 0.000 1.051 185 K CA 1.107 57.531 56.287 0.228 0.000 0.941 185 K CB -0.213 32.442 32.500 0.259 0.000 0.719 185 K HN 0.246 nan 8.250 nan 0.000 0.440 186 M N 0.555 120.032 119.600 -0.206 0.000 2.132 186 M HA -0.073 4.407 4.480 0.000 0.000 0.263 186 M C 2.423 178.557 176.300 -0.277 0.000 1.065 186 M CA 1.362 56.444 55.300 -0.364 0.000 1.122 186 M CB -1.061 31.206 32.600 -0.554 0.000 1.365 186 M HN 0.147 nan 8.290 nan 0.000 0.411 187 A N -0.668 121.961 122.820 -0.317 0.000 1.933 187 A HA -0.211 4.109 4.320 0.000 0.000 0.218 187 A C 2.022 179.447 177.584 -0.265 0.000 1.175 187 A CA 1.467 53.187 52.037 -0.528 0.000 0.628 187 A CB -1.127 17.155 19.000 -1.197 0.000 0.814 187 A HN 0.671 nan 8.150 nan 0.000 0.444 188 W N 0.912 122.106 121.300 -0.177 0.000 2.355 188 W HA -0.120 4.540 4.660 0.000 0.000 0.309 188 W C 2.310 178.736 176.519 -0.155 0.000 1.206 188 W CA 1.539 58.842 57.345 -0.071 0.000 1.284 188 W CB -0.753 28.678 29.460 -0.048 0.000 1.145 188 W HN 0.354 nan 8.180 nan 0.000 0.502 189 R N 0.272 120.698 120.500 -0.123 0.000 2.127 189 R HA -0.178 4.162 4.340 0.000 0.000 0.238 189 R C 1.268 177.417 176.300 -0.252 0.000 1.134 189 R CA 1.732 57.590 56.100 -0.404 0.000 0.975 189 R CB -0.465 29.390 30.300 -0.742 0.000 0.865 189 R HN 0.076 nan 8.270 nan 0.000 0.447 190 N N -0.033 118.552 118.700 -0.193 0.000 2.322 190 N HA 0.064 4.804 4.740 0.000 0.000 0.194 190 N C -0.770 174.660 175.510 -0.134 0.000 1.126 190 N CA 0.376 53.346 53.050 -0.132 0.000 0.845 190 N CB 1.017 39.463 38.487 -0.067 0.000 0.976 190 N HN 0.140 nan 8.380 nan 0.000 0.475 191 A N 1.629 124.358 122.820 -0.151 0.000 2.376 191 A HA 0.343 4.663 4.320 0.000 0.000 0.298 191 A C -1.352 176.154 177.584 -0.130 0.000 1.271 191 A CA -1.072 50.833 52.037 -0.221 0.000 0.926 191 A CB 0.546 19.474 19.000 -0.120 0.000 1.141 191 A HN -0.026 nan 8.150 nan 0.000 0.539 192 P HA -0.098 nan 4.420 nan 0.000 0.220 192 P C 0.978 178.199 177.300 -0.132 0.000 1.148 192 P CA 1.071 64.104 63.100 -0.111 0.000 0.803 192 P CB 0.178 31.812 31.700 -0.110 0.000 0.782 193 R N -1.972 118.408 120.500 -0.199 0.000 2.334 193 R HA 0.174 4.514 4.340 0.000 0.000 0.220 193 R C 0.124 176.412 176.300 -0.020 0.000 0.917 193 R CA -0.148 55.856 56.100 -0.159 0.000 1.073 193 R CB -0.402 29.589 30.300 -0.516 0.000 1.056 193 R HN 0.174 nan 8.270 nan 0.000 0.506 194 C N 0.752 120.026 119.300 -0.044 0.000 2.273 194 C HA 0.336 4.796 4.460 0.000 0.000 0.328 194 C C 1.708 176.677 174.990 -0.035 0.000 1.275 194 C CA -0.830 58.198 59.018 0.018 0.000 1.704 194 C CB -0.418 27.389 27.740 0.111 0.000 2.326 194 C HN 0.568 nan 8.230 nan 0.000 0.517 195 I N 4.192 124.725 120.570 -0.061 0.000 3.251 195 I HA 0.167 4.337 4.170 0.000 0.000 0.277 195 I C 1.853 178.045 176.117 0.125 0.000 1.268 195 I CA 1.112 62.351 61.300 -0.102 0.000 1.449 195 I CB 0.116 38.052 38.000 -0.107 0.000 1.083 195 I HN 0.920 nan 8.210 nan 0.000 0.464 196 G N 0.031 108.897 108.800 0.109 0.000 3.233 196 G HA2 0.018 3.978 3.960 0.000 0.000 0.227 196 G HA3 0.018 3.978 3.960 0.000 0.000 0.227 196 G C 1.277 176.193 174.900 0.028 0.000 1.175 196 G CA -0.356 44.802 45.100 0.096 0.000 0.781 196 G HN 0.261 nan 8.290 nan 0.000 0.542 197 R N -0.200 120.251 120.500 -0.082 0.000 2.355 197 R HA 0.049 4.389 4.340 0.000 0.000 0.219 197 R C 1.981 177.763 176.300 -0.864 0.000 1.107 197 R CA 0.308 56.055 56.100 -0.589 0.000 1.021 197 R CB -0.202 29.770 30.300 -0.547 0.000 0.852 197 R HN 0.456 nan 8.270 nan 0.000 0.475 198 I N 0.723 120.994 120.570 -0.499 0.000 2.614 198 I HA -0.225 3.945 4.170 0.000 0.000 0.258 198 I C 1.376 177.379 176.117 -0.191 0.000 1.189 198 I CA 1.189 62.361 61.300 -0.213 0.000 1.462 198 I CB 0.166 38.172 38.000 0.011 0.000 1.092 198 I HN 0.175 nan 8.210 nan 0.000 0.442 199 Q N 0.656 120.274 119.800 -0.304 0.000 2.403 199 Q HA -0.103 4.237 4.340 0.000 0.000 0.203 199 Q C 1.585 177.108 176.000 -0.795 0.000 0.932 199 Q CA 0.318 55.928 55.803 -0.322 0.000 0.945 199 Q CB -0.191 28.511 28.738 -0.060 0.000 1.045 199 Q HN 0.776 nan 8.270 nan 0.000 0.511 200 W N 1.081 121.584 121.300 -1.329 0.000 2.313 200 W HA -0.233 4.427 4.660 0.000 0.000 0.293 200 W C 1.235 177.417 176.519 -0.561 0.000 1.216 200 W CA 1.569 57.975 57.345 -1.565 0.000 1.223 200 W CB -1.245 27.544 29.460 -1.118 0.000 1.138 200 W HN 0.177 nan 8.180 nan 0.000 0.535 201 S N 0.257 115.186 115.700 -1.286 0.000 2.562 201 S HA -0.030 4.440 4.470 0.000 0.000 0.221 201 S C 0.659 175.024 174.600 -0.391 0.000 0.975 201 S CA 0.275 57.869 58.200 -1.009 0.000 0.918 201 S CB -0.606 61.846 63.200 -1.247 0.000 0.772 201 S HN 0.173 nan 8.310 nan 0.000 0.531 202 N N 1.406 119.972 118.700 -0.224 0.000 2.801 202 N HA 0.471 5.211 4.740 0.000 0.000 0.235 202 N C -1.502 174.103 175.510 0.158 0.000 1.069 202 N CA -0.516 52.523 53.050 -0.018 0.000 0.946 202 N CB 0.591 39.091 38.487 0.023 0.000 1.212 202 N HN 0.411 nan 8.380 nan 0.000 0.509 203 L N 2.279 123.559 121.223 0.095 0.000 2.516 203 L HA 0.413 4.753 4.340 0.000 0.000 0.267 203 L C -0.928 175.898 176.870 -0.075 0.000 0.957 203 L CA -0.617 54.268 54.840 0.075 0.000 0.860 203 L CB 1.875 44.034 42.059 0.167 0.000 1.265 203 L HN 0.331 nan 8.230 nan 0.000 0.403 204 Q N 3.209 122.911 119.800 -0.164 0.000 2.288 204 Q HA 0.579 4.919 4.340 0.000 0.000 0.258 204 Q C -1.617 174.018 176.000 -0.608 0.000 0.957 204 Q CA -0.078 55.464 55.803 -0.437 0.000 0.919 204 Q CB 1.373 29.723 28.738 -0.647 0.000 1.185 204 Q HN 0.519 nan 8.270 nan 0.000 0.408 205 V N 5.959 125.514 119.914 -0.599 0.000 2.384 205 V HA 0.424 4.544 4.120 0.000 0.000 0.287 205 V C -0.844 174.883 176.094 -0.612 0.000 1.020 205 V CA -0.587 61.414 62.300 -0.499 0.000 0.850 205 V CB 0.645 32.309 31.823 -0.264 0.000 0.987 205 V HN 0.662 nan 8.190 nan 0.000 0.436 206 F N 2.654 122.440 119.950 -0.272 0.000 2.361 206 F HA 0.374 4.901 4.527 0.000 0.000 0.364 206 F C 0.491 176.112 175.800 -0.299 0.000 1.120 206 F CA -1.126 56.710 58.000 -0.272 0.000 1.102 206 F CB 1.041 39.875 39.000 -0.278 0.000 1.183 206 F HN 0.430 nan 8.300 nan 0.000 0.476 207 D N 3.361 123.716 120.400 -0.075 0.000 2.374 207 D HA 0.354 4.994 4.640 0.000 0.000 0.240 207 D C 0.181 176.342 176.300 -0.231 0.000 1.229 207 D CA 0.160 54.065 54.000 -0.157 0.000 0.895 207 D CB 0.967 41.708 40.800 -0.099 0.000 1.046 207 D HN 0.600 nan 8.370 nan 0.000 0.498 208 A N 4.579 127.140 122.820 -0.432 0.000 2.713 208 A HA 0.166 4.486 4.320 0.000 0.000 0.296 208 A C 1.652 179.025 177.584 -0.352 0.000 1.255 208 A CA -0.408 51.247 52.037 -0.636 0.000 0.955 208 A CB 0.028 18.221 19.000 -1.346 0.000 1.149 208 A HN 0.527 nan 8.150 nan 0.000 0.538 209 R N 0.057 120.436 120.500 -0.203 0.000 2.237 209 R HA -0.034 4.306 4.340 0.000 0.000 0.219 209 R C 0.563 176.817 176.300 -0.076 0.000 1.080 209 R CA 0.838 56.877 56.100 -0.102 0.000 0.995 209 R CB 0.049 30.336 30.300 -0.021 0.000 0.875 209 R HN 0.391 nan 8.270 nan 0.000 0.462 210 N N -0.122 118.548 118.700 -0.051 0.000 2.336 210 N HA -0.027 4.713 4.740 0.000 0.000 0.189 210 N C 0.131 175.668 175.510 0.046 0.000 1.113 210 N CA 0.069 53.124 53.050 0.008 0.000 0.858 210 N CB -0.004 38.503 38.487 0.033 0.000 0.970 210 N HN 0.104 nan 8.380 nan 0.000 0.471 211 C N 1.185 120.495 119.300 0.017 0.000 2.679 211 C HA 0.195 4.655 4.460 0.000 0.000 0.417 211 C C 1.862 176.964 174.990 0.186 0.000 1.302 211 C CA 0.393 59.488 59.018 0.128 0.000 1.973 211 C CB -0.087 27.754 27.740 0.168 0.000 2.715 211 C HN 0.568 nan 8.230 nan 0.000 0.628 212 S N 1.315 117.207 115.700 0.319 0.000 2.648 212 S HA 0.197 4.667 4.470 0.000 0.000 0.270 212 S C 0.234 175.034 174.600 0.333 0.000 1.082 212 S CA 0.425 58.864 58.200 0.398 0.000 1.116 212 S CB -0.171 63.168 63.200 0.231 0.000 1.040 212 S HN 1.038 nan 8.310 nan 0.000 0.572 213 T N -1.232 113.483 114.554 0.269 0.000 2.930 213 T HA 0.850 5.200 4.350 0.000 0.000 0.290 213 T C 1.232 176.032 174.700 0.166 0.000 1.052 213 T CA -0.187 62.018 62.100 0.175 0.000 1.017 213 T CB 1.513 70.463 68.868 0.137 0.000 1.137 213 T HN 0.250 nan 8.240 nan 0.000 0.511 214 A N 0.519 123.409 122.820 0.117 0.000 1.933 214 A HA -0.069 4.251 4.320 0.000 0.000 0.218 214 A C 2.312 179.871 177.584 -0.041 0.000 1.175 214 A CA 2.071 54.164 52.037 0.093 0.000 0.628 214 A CB -1.212 17.933 19.000 0.241 0.000 0.814 214 A HN 0.900 nan 8.150 nan 0.000 0.444 215 Q N 0.357 120.210 119.800 0.087 0.000 2.096 215 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 215 Q C 1.750 177.761 176.000 0.017 0.000 0.982 215 Q CA 2.366 58.187 55.803 0.031 0.000 0.850 215 Q CB -0.424 28.419 28.738 0.176 0.000 0.901 215 Q HN 0.752 nan 8.270 nan 0.000 0.422 216 E N -0.560 119.688 120.200 0.080 0.000 2.106 216 E HA -0.160 4.190 4.350 0.000 0.000 0.192 216 E C 2.047 178.765 176.600 0.198 0.000 0.984 216 E CA 1.241 57.705 56.400 0.107 0.000 0.806 216 E CB -0.144 29.667 29.700 0.185 0.000 0.750 216 E HN 0.457 nan 8.360 nan 0.000 0.458 217 M N -0.011 119.698 119.600 0.182 0.000 2.086 217 M HA -0.160 4.320 4.480 0.000 0.000 0.261 217 M C 2.203 178.585 176.300 0.137 0.000 1.067 217 M CA 1.282 56.691 55.300 0.182 0.000 1.116 217 M CB -0.278 32.239 32.600 -0.139 0.000 1.348 217 M HN 0.124 nan 8.290 nan 0.000 0.407 218 F N 1.436 121.213 119.950 -0.288 0.000 2.095 218 F HA -0.285 4.242 4.527 0.000 0.000 0.298 218 F C 2.287 177.985 175.800 -0.171 0.000 1.104 218 F CA 1.911 59.680 58.000 -0.386 0.000 1.232 218 F CB -0.591 37.864 39.000 -0.908 0.000 0.987 218 F HN 0.175 nan 8.300 nan 0.000 0.475 219 Q N -1.078 118.561 119.800 -0.267 0.000 2.084 219 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 219 Q C 2.232 178.049 176.000 -0.303 0.000 0.978 219 Q CA 1.653 57.241 55.803 -0.359 0.000 0.844 219 Q CB -0.448 28.135 28.738 -0.257 0.000 0.898 219 Q HN 0.532 nan 8.270 nan 0.000 0.426 220 H N 0.179 119.195 119.070 -0.091 0.000 2.357 220 H HA -0.062 4.494 4.556 0.000 0.000 0.301 220 H C 2.130 177.400 175.328 -0.095 0.000 1.082 220 H CA 1.208 57.204 56.048 -0.086 0.000 1.342 220 H CB -0.015 29.776 29.762 0.049 0.000 1.389 220 H HN 0.259 nan 8.280 nan 0.000 0.511 221 I N -0.140 120.492 120.570 0.102 0.000 2.226 221 I HA -0.274 3.896 4.170 0.000 0.000 0.245 221 I C 2.642 178.700 176.117 -0.098 0.000 1.100 221 I CA 0.734 62.051 61.300 0.028 0.000 1.374 221 I CB -0.257 37.772 38.000 0.050 0.000 1.057 221 I HN 0.205 nan 8.210 nan 0.000 0.413 222 C N 0.328 119.465 119.300 -0.271 0.000 2.425 222 C HA -0.125 4.335 4.460 0.000 0.000 0.277 222 C C 2.958 177.845 174.990 -0.171 0.000 1.280 222 C CA 0.574 59.418 59.018 -0.289 0.000 1.744 222 C CB -1.107 26.330 27.740 -0.505 0.000 1.989 222 C HN 0.449 nan 8.230 nan 0.000 0.491 223 R N 0.335 120.715 120.500 -0.201 0.000 2.081 223 R HA -0.136 4.204 4.340 0.000 0.000 0.235 223 R C 2.027 178.217 176.300 -0.184 0.000 1.131 223 R CA 1.889 57.856 56.100 -0.222 0.000 0.960 223 R CB -0.904 29.191 30.300 -0.341 0.000 0.856 223 R HN 0.779 nan 8.270 nan 0.000 0.436 224 H N -0.141 118.767 119.070 -0.271 0.000 2.293 224 H HA -0.031 4.525 4.556 0.000 0.000 0.300 224 H C 2.269 177.637 175.328 0.067 0.000 1.082 224 H CA 2.138 58.124 56.048 -0.103 0.000 1.308 224 H CB -0.073 29.671 29.762 -0.032 0.000 1.375 224 H HN 0.133 nan 8.280 nan 0.000 0.495 225 I N 0.104 120.808 120.570 0.224 0.000 2.151 225 I HA -0.273 3.897 4.170 0.000 0.000 0.243 225 I C 2.430 178.624 176.117 0.129 0.000 1.080 225 I CA 0.942 62.329 61.300 0.145 0.000 1.339 225 I CB -0.222 37.791 38.000 0.022 0.000 1.039 225 I HN 0.332 nan 8.210 nan 0.000 0.409 226 L N 0.214 121.484 121.223 0.079 0.000 2.017 226 L HA -0.271 4.069 4.340 0.000 0.000 0.208 226 L C 2.509 179.437 176.870 0.097 0.000 1.073 226 L CA 1.912 56.787 54.840 0.059 0.000 0.745 226 L CB -0.982 41.088 42.059 0.018 0.000 0.894 226 L HN 0.265 nan 8.230 nan 0.000 0.432 227 Y N 0.135 120.463 120.300 0.046 0.000 2.097 227 Y HA -0.246 4.304 4.550 0.000 0.000 0.282 227 Y C 2.366 178.337 175.900 0.118 0.000 1.152 227 Y CA 2.191 60.350 58.100 0.100 0.000 1.136 227 Y CB -0.612 37.970 38.460 0.203 0.000 0.975 227 Y HN 0.245 nan 8.280 nan 0.000 0.498 228 A N -0.528 122.430 122.820 0.230 0.000 1.902 228 A HA -0.185 4.135 4.320 0.000 0.000 0.217 228 A C 2.213 179.834 177.584 0.062 0.000 1.181 228 A CA 2.321 54.455 52.037 0.163 0.000 0.623 228 A CB -1.386 17.815 19.000 0.335 0.000 0.818 228 A HN 0.539 nan 8.150 nan 0.000 0.443 229 T N -0.113 114.487 114.554 0.077 0.000 2.746 229 T HA -0.142 4.208 4.350 0.000 0.000 0.267 229 T C 1.136 175.840 174.700 0.007 0.000 1.039 229 T CA 1.342 63.479 62.100 0.063 0.000 1.142 229 T CB -0.467 68.439 68.868 0.063 0.000 0.866 229 T HN 0.646 nan 8.240 nan 0.000 0.444 230 N N 1.484 120.156 118.700 -0.047 0.000 2.707 230 N HA -0.259 4.481 4.740 0.000 0.000 0.253 230 N C -0.017 175.468 175.510 -0.041 0.000 0.998 230 N CA 0.968 53.969 53.050 -0.082 0.000 0.751 230 N CB -1.891 36.502 38.487 -0.156 0.000 0.920 230 N HN 0.467 nan 8.380 nan 0.000 0.539 231 N N -1.470 117.218 118.700 -0.019 0.000 2.725 231 N HA -0.210 4.530 4.740 0.000 0.000 0.249 231 N C 1.001 176.501 175.510 -0.016 0.000 1.103 231 N CA 2.483 55.524 53.050 -0.015 0.000 0.707 231 N CB -1.217 37.258 38.487 -0.020 0.000 1.043 231 N HN 1.238 nan 8.380 nan 0.000 0.553 232 G N -0.991 107.808 108.800 -0.002 0.000 2.284 232 G HA2 -0.325 3.635 3.960 0.000 0.000 0.216 232 G HA3 -0.325 3.635 3.960 0.000 0.000 0.216 232 G C 0.070 174.974 174.900 0.008 0.000 1.009 232 G CA 0.156 45.259 45.100 0.004 0.000 0.625 232 G HN 0.677 nan 8.290 nan 0.000 0.501 233 N N 2.301 120.990 118.700 -0.018 0.000 2.968 233 N HA 0.308 5.048 4.740 0.000 0.000 0.271 233 N C 0.864 176.365 175.510 -0.015 0.000 1.174 233 N CA -0.496 52.530 53.050 -0.040 0.000 1.096 233 N CB -0.492 37.962 38.487 -0.055 0.000 1.403 233 N HN 0.358 nan 8.380 nan 0.000 0.522 234 I N 1.825 122.422 120.570 0.046 0.000 2.906 234 I HA -0.117 4.053 4.170 0.000 0.000 0.302 234 I C 0.851 177.099 176.117 0.218 0.000 1.220 234 I CA 0.814 62.208 61.300 0.156 0.000 1.441 234 I CB -0.299 37.883 38.000 0.304 0.000 1.336 234 I HN 0.285 nan 8.210 nan 0.000 0.565 235 R N 3.877 124.476 120.500 0.165 0.000 2.621 235 R HA 0.405 4.745 4.340 0.000 0.000 0.292 235 R C -0.450 175.983 176.300 0.222 0.000 0.969 235 R CA -0.684 55.522 56.100 0.177 0.000 0.887 235 R CB 1.962 32.215 30.300 -0.079 0.000 1.180 235 R HN 0.546 nan 8.270 nan 0.000 0.450 236 S N 1.427 117.248 115.700 0.202 0.000 2.531 236 S HA 0.527 4.997 4.470 0.000 0.000 0.279 236 S C -0.348 174.283 174.600 0.052 0.000 1.305 236 S CA -0.306 57.921 58.200 0.045 0.000 1.058 236 S CB 1.300 64.443 63.200 -0.094 0.000 0.899 236 S HN 0.696 nan 8.310 nan 0.000 0.493 237 A N 2.813 125.630 122.820 -0.005 0.000 2.609 237 A HA 0.846 5.166 4.320 0.000 0.000 0.291 237 A C -1.341 176.202 177.584 -0.069 0.000 1.096 237 A CA -0.668 51.279 52.037 -0.151 0.000 0.684 237 A CB 1.199 20.044 19.000 -0.258 0.000 1.282 237 A HN 0.797 nan 8.150 nan 0.000 0.412 238 I N 0.345 120.840 120.570 -0.125 0.000 2.656 238 I HA 0.589 4.759 4.170 0.000 0.000 0.292 238 I C -1.168 174.986 176.117 0.062 0.000 1.144 238 I CA -0.106 61.257 61.300 0.106 0.000 1.038 238 I CB 2.397 40.406 38.000 0.014 0.000 1.244 238 I HN 0.596 nan 8.210 nan 0.000 0.420 239 T N 6.413 121.075 114.554 0.179 0.000 2.772 239 T HA 0.413 4.763 4.350 0.000 0.000 0.288 239 T C -0.600 173.923 174.700 -0.296 0.000 0.994 239 T CA -0.348 61.726 62.100 -0.043 0.000 0.951 239 T CB 1.393 70.240 68.868 -0.035 0.000 0.933 239 T HN 0.256 nan 8.240 nan 0.000 0.447 240 V N 5.303 124.988 119.914 -0.381 0.000 2.348 240 V HA 0.422 4.542 4.120 0.000 0.000 0.270 240 V C -0.189 175.627 176.094 -0.463 0.000 1.037 240 V CA -0.660 61.417 62.300 -0.372 0.000 0.872 240 V CB -0.219 31.357 31.823 -0.413 0.000 1.002 240 V HN 0.753 nan 8.190 nan 0.000 0.464 241 F N 5.309 125.208 119.950 -0.085 0.000 2.362 241 F HA 0.450 4.977 4.527 0.000 0.000 0.311 241 F C -1.745 173.991 175.800 -0.107 0.000 1.161 241 F CA -2.364 55.520 58.000 -0.193 0.000 1.085 241 F CB 0.521 39.410 39.000 -0.185 0.000 1.311 241 F HN 0.303 nan 8.300 nan 0.000 0.524 242 P HA -0.037 nan 4.420 nan 0.000 0.264 242 P C -1.174 176.170 177.300 0.073 0.000 1.183 242 P CA -0.044 62.998 63.100 -0.097 0.000 0.763 242 P CB 0.223 31.714 31.700 -0.349 0.000 0.807 243 Q N 3.225 122.993 119.800 -0.054 0.000 2.454 243 Q HA 0.095 4.435 4.340 0.000 0.000 0.247 243 Q C 0.143 176.042 176.000 -0.169 0.000 1.028 243 Q CA -0.550 54.975 55.803 -0.463 0.000 0.910 243 Q CB 0.707 28.875 28.738 -0.950 0.000 1.276 243 Q HN 0.332 nan 8.270 nan 0.000 0.489 244 R N 1.266 121.663 120.500 -0.172 0.000 2.522 244 R HA -0.002 4.338 4.340 0.000 0.000 0.284 244 R C 0.203 176.479 176.300 -0.041 0.000 1.032 244 R CA 0.722 56.801 56.100 -0.035 0.000 1.049 244 R CB 0.539 30.816 30.300 -0.039 0.000 0.956 244 R HN 0.942 nan 8.270 nan 0.000 0.422 245 S N 2.715 118.436 115.700 0.035 0.000 2.460 245 S HA -0.060 4.410 4.470 0.000 0.000 0.185 245 S C 0.849 175.476 174.600 0.046 0.000 0.908 245 S CA 0.428 58.646 58.200 0.031 0.000 0.894 245 S CB -0.105 63.123 63.200 0.047 0.000 0.855 245 S HN 0.831 nan 8.310 nan 0.000 0.574 246 D N -0.149 120.310 120.400 0.098 0.000 2.398 246 D HA 0.322 4.962 4.640 0.000 0.000 0.210 246 D C 1.352 177.686 176.300 0.058 0.000 1.094 246 D CA 0.631 54.680 54.000 0.082 0.000 0.839 246 D CB -0.100 40.770 40.800 0.116 0.000 0.963 246 D HN 0.818 nan 8.370 nan 0.000 0.506 247 G N 0.917 109.753 108.800 0.060 0.000 2.176 247 G HA2 -0.352 3.608 3.960 0.000 0.000 0.253 247 G HA3 -0.352 3.608 3.960 0.000 0.000 0.253 247 G C 1.031 175.923 174.900 -0.013 0.000 0.979 247 G CA 0.428 45.541 45.100 0.021 0.000 0.641 247 G HN 0.448 nan 8.290 nan 0.000 0.530 248 K N -0.186 120.192 120.400 -0.037 0.000 2.353 248 K HA 0.204 4.524 4.320 0.000 0.000 0.195 248 K C 0.606 176.942 176.600 -0.440 0.000 1.031 248 K CA 0.210 56.361 56.287 -0.227 0.000 1.079 248 K CB 0.241 32.564 32.500 -0.294 0.000 0.857 248 K HN 0.560 nan 8.250 nan 0.000 0.535 249 H N 0.906 119.975 119.070 -0.002 0.000 2.528 249 H HA 0.184 4.740 4.556 0.000 0.000 0.256 249 H C -0.830 174.489 175.328 -0.014 0.000 1.204 249 H CA -0.566 55.469 56.048 -0.022 0.000 0.955 249 H CB 0.282 30.050 29.762 0.010 0.000 1.817 249 H HN 0.027 nan 8.280 nan 0.000 0.579 250 D N 0.854 121.286 120.400 0.052 0.000 2.389 250 D HA 0.049 4.689 4.640 0.000 0.000 0.247 250 D C 0.068 176.387 176.300 0.033 0.000 1.128 250 D CA 0.353 54.411 54.000 0.097 0.000 0.884 250 D CB 0.659 41.501 40.800 0.071 0.000 1.194 250 D HN 0.084 nan 8.370 nan 0.000 0.441 251 F N 2.678 122.668 119.950 0.066 0.000 2.411 251 F HA 0.362 4.890 4.527 0.000 0.000 0.350 251 F C 0.984 176.806 175.800 0.037 0.000 1.114 251 F CA -0.184 57.829 58.000 0.021 0.000 1.135 251 F CB 0.787 39.794 39.000 0.012 0.000 1.120 251 F HN -0.131 nan 8.300 nan 0.000 0.495 252 R N 3.617 124.211 120.500 0.156 0.000 2.626 252 R HA 0.503 4.843 4.340 0.000 0.000 0.274 252 R C -1.843 174.592 176.300 0.225 0.000 1.031 252 R CA -1.133 55.080 56.100 0.187 0.000 0.898 252 R CB 2.161 32.584 30.300 0.204 0.000 1.222 252 R HN 0.469 nan 8.270 nan 0.000 0.455 253 L N 1.819 123.167 121.223 0.208 0.000 2.280 253 L HA 0.364 4.704 4.340 0.000 0.000 0.287 253 L C 0.669 177.756 176.870 0.362 0.000 1.023 253 L CA -0.164 54.810 54.840 0.225 0.000 0.819 253 L CB 0.861 42.987 42.059 0.112 0.000 1.212 253 L HN 0.583 nan 8.230 nan 0.000 0.420 254 W N 0.660 122.041 121.300 0.135 0.000 2.519 254 W HA -0.002 4.658 4.660 0.000 0.000 0.266 254 W C 0.720 177.419 176.519 0.300 0.000 1.253 254 W CA -0.330 57.193 57.345 0.297 0.000 1.274 254 W CB -0.902 28.805 29.460 0.411 0.000 1.114 254 W HN 0.490 nan 8.180 nan 0.000 0.596 255 N N -0.365 118.518 118.700 0.304 0.000 2.479 255 N HA 0.016 4.756 4.740 0.000 0.000 0.257 255 N C 1.095 176.514 175.510 -0.152 0.000 1.232 255 N CA 0.471 53.429 53.050 -0.152 0.000 0.920 255 N CB 0.722 39.144 38.487 -0.108 0.000 1.105 255 N HN -0.283 nan 8.380 nan 0.000 0.444 256 S N 0.238 115.773 115.700 -0.274 0.000 2.395 256 S HA -0.013 4.457 4.470 0.000 0.000 0.225 256 S C 0.151 174.656 174.600 -0.159 0.000 1.027 256 S CA 1.013 59.119 58.200 -0.156 0.000 0.965 256 S CB 0.042 63.163 63.200 -0.131 0.000 0.812 256 S HN 0.565 nan 8.310 nan 0.000 0.482 257 Q N -0.883 118.803 119.800 -0.191 0.000 2.451 257 Q HA 0.517 4.857 4.340 0.000 0.000 0.281 257 Q C 0.560 176.434 176.000 -0.211 0.000 1.099 257 Q CA -0.400 55.290 55.803 -0.188 0.000 0.806 257 Q CB 1.325 29.986 28.738 -0.128 0.000 1.419 257 Q HN 0.001 nan 8.270 nan 0.000 0.427 258 L N 0.268 121.360 121.223 -0.218 0.000 2.017 258 L HA 0.034 4.374 4.340 0.000 0.000 0.208 258 L C 0.341 177.062 176.870 -0.249 0.000 1.073 258 L CA 1.051 55.771 54.840 -0.200 0.000 0.745 258 L CB 0.041 41.974 42.059 -0.210 0.000 0.894 258 L HN 0.521 nan 8.230 nan 0.000 0.432 259 I N -0.059 120.284 120.570 -0.378 0.000 2.378 259 I HA 0.457 4.627 4.170 0.000 0.000 0.291 259 I C -0.337 175.175 176.117 -1.008 0.000 0.992 259 I CA -0.318 60.576 61.300 -0.677 0.000 1.154 259 I CB 1.442 38.937 38.000 -0.841 0.000 1.315 259 I HN 0.084 nan 8.210 nan 0.000 0.448 260 R N 4.586 124.587 120.500 -0.832 0.000 2.634 260 R HA 0.494 4.834 4.340 0.000 0.000 0.263 260 R C -1.965 174.119 176.300 -0.361 0.000 1.060 260 R CA -0.633 55.125 56.100 -0.569 0.000 0.898 260 R CB 1.185 31.336 30.300 -0.247 0.000 1.253 260 R HN 0.291 nan 8.270 nan 0.000 0.461 261 Y N 1.267 121.569 120.300 0.004 0.000 2.335 261 Y HA 0.675 5.225 4.550 0.000 0.000 0.323 261 Y C 0.891 176.802 175.900 0.018 0.000 1.224 261 Y CA -0.301 57.835 58.100 0.060 0.000 1.241 261 Y CB 1.392 39.975 38.460 0.205 0.000 1.235 261 Y HN 0.750 nan 8.280 nan 0.000 0.492 262 A N 1.012 123.916 122.820 0.140 0.000 2.313 262 A HA 0.698 5.018 4.320 0.000 0.000 0.261 262 A C 0.363 177.777 177.584 -0.283 0.000 1.090 262 A CA 0.160 52.108 52.037 -0.149 0.000 0.807 262 A CB -0.087 18.745 19.000 -0.280 0.000 1.055 262 A HN 0.902 nan 8.150 nan 0.000 0.492 263 G N -0.575 107.964 108.800 -0.436 0.000 2.643 263 G HA2 0.582 4.542 3.960 0.000 0.000 0.305 263 G HA3 0.582 4.542 3.960 0.000 0.000 0.305 263 G C -1.403 173.243 174.900 -0.423 0.000 1.387 263 G CA -0.265 44.636 45.100 -0.331 0.000 0.982 263 G HN 0.528 nan 8.290 nan 0.000 0.501 264 Y N 0.373 120.694 120.300 0.035 0.000 2.409 264 Y HA 0.447 4.997 4.550 0.000 0.000 0.343 264 Y C 0.245 176.187 175.900 0.071 0.000 0.973 264 Y CA -1.100 57.038 58.100 0.064 0.000 1.064 264 Y CB 2.765 41.290 38.460 0.108 0.000 1.207 264 Y HN 0.464 nan 8.280 nan 0.000 0.452 265 Q N 3.619 123.562 119.800 0.239 0.000 2.423 265 Q HA 0.281 4.621 4.340 0.000 0.000 0.235 265 Q C -0.876 175.223 176.000 0.165 0.000 1.100 265 Q CA -0.283 55.610 55.803 0.149 0.000 0.908 265 Q CB 0.262 29.063 28.738 0.105 0.000 1.312 265 Q HN 0.501 nan 8.270 nan 0.000 0.497 266 M N 4.758 124.439 119.600 0.135 0.000 2.207 266 M HA 0.154 4.634 4.480 0.000 0.000 0.311 266 M C -1.422 174.895 176.300 0.029 0.000 1.127 266 M CA -2.214 53.134 55.300 0.081 0.000 1.181 266 M CB -0.408 32.223 32.600 0.052 0.000 1.409 266 M HN 0.382 nan 8.290 nan 0.000 0.461 267 P HA -0.161 nan 4.420 nan 0.000 0.216 267 P C 0.434 177.724 177.300 -0.017 0.000 1.150 267 P CA 1.327 64.410 63.100 -0.028 0.000 0.837 267 P CB -0.032 31.628 31.700 -0.067 0.000 0.786 268 D N -1.859 118.531 120.400 -0.017 0.000 2.352 268 D HA 0.046 4.686 4.640 0.000 0.000 0.232 268 D C 1.440 177.740 176.300 -0.000 0.000 1.055 268 D CA 0.790 54.783 54.000 -0.012 0.000 0.891 268 D CB -1.012 39.779 40.800 -0.015 0.000 0.897 268 D HN 0.261 nan 8.370 nan 0.000 0.529 269 G N -0.126 108.679 108.800 0.008 0.000 2.253 269 G HA2 -0.298 3.662 3.960 0.000 0.000 0.251 269 G HA3 -0.298 3.662 3.960 0.000 0.000 0.251 269 G C 0.595 175.508 174.900 0.020 0.000 0.998 269 G CA 0.569 45.678 45.100 0.015 0.000 0.621 269 G HN 0.837 nan 8.290 nan 0.000 0.524 270 T N -0.181 114.385 114.554 0.020 0.000 2.828 270 T HA 0.648 4.998 4.350 0.000 0.000 0.290 270 T C 0.392 175.114 174.700 0.037 0.000 1.019 270 T CA -0.449 61.664 62.100 0.022 0.000 1.031 270 T CB 1.568 70.445 68.868 0.016 0.000 1.001 270 T HN 0.424 nan 8.240 nan 0.000 0.531 271 I N 1.651 122.237 120.570 0.028 0.000 2.377 271 I HA 0.458 4.628 4.170 0.000 0.000 0.293 271 I C 0.440 176.571 176.117 0.024 0.000 0.987 271 I CA -0.645 60.674 61.300 0.032 0.000 1.185 271 I CB 1.398 39.398 38.000 0.000 0.000 1.341 271 I HN 0.807 nan 8.210 nan 0.000 0.455 272 R N 3.506 124.052 120.500 0.076 0.000 2.562 272 R HA 0.651 4.991 4.340 0.000 0.000 0.298 272 R C 0.334 176.657 176.300 0.037 0.000 0.961 272 R CA 0.276 56.422 56.100 0.077 0.000 0.881 272 R CB 1.646 32.049 30.300 0.171 0.000 1.159 272 R HN 0.903 nan 8.270 nan 0.000 0.450 273 G N 2.703 111.441 108.800 -0.103 0.000 2.488 273 G HA2 -0.268 3.692 3.960 0.000 0.000 0.237 273 G HA3 -0.268 3.692 3.960 0.000 0.000 0.237 273 G C -1.101 173.487 174.900 -0.521 0.000 1.209 273 G CA 0.042 45.024 45.100 -0.196 0.000 0.929 273 G HN 0.652 nan 8.290 nan 0.000 0.578 274 D N 1.826 122.061 120.400 -0.275 0.000 2.393 274 D HA 0.586 5.226 4.640 0.000 0.000 0.232 274 D C 1.548 177.771 176.300 -0.129 0.000 1.192 274 D CA 0.815 54.674 54.000 -0.235 0.000 0.882 274 D CB 0.685 41.632 40.800 0.244 0.000 1.038 274 D HN 0.936 nan 8.370 nan 0.000 0.499 275 A N 3.731 126.453 122.820 -0.164 0.000 2.032 275 A HA -0.154 4.166 4.320 0.000 0.000 0.221 275 A C 1.993 179.571 177.584 -0.010 0.000 1.165 275 A CA 1.825 53.821 52.037 -0.070 0.000 0.645 275 A CB -0.219 18.747 19.000 -0.057 0.000 0.807 275 A HN 0.598 nan 8.150 nan 0.000 0.453 276 A N -0.664 122.170 122.820 0.024 0.000 2.167 276 A HA 0.105 4.425 4.320 0.000 0.000 0.214 276 A C 1.910 179.526 177.584 0.054 0.000 1.151 276 A CA 1.734 53.803 52.037 0.054 0.000 0.735 276 A CB -0.714 18.338 19.000 0.087 0.000 0.802 276 A HN 0.784 nan 8.150 nan 0.000 0.467 277 T N -3.083 111.496 114.554 0.042 0.000 3.214 277 T HA 0.392 4.742 4.350 0.000 0.000 0.264 277 T C 1.315 176.027 174.700 0.019 0.000 1.012 277 T CA -0.104 62.024 62.100 0.047 0.000 0.901 277 T CB -0.376 68.523 68.868 0.051 0.000 1.070 277 T HN 0.214 nan 8.240 nan 0.000 0.561 278 L N 0.704 121.926 121.223 -0.002 0.000 1.990 278 L HA -0.116 4.224 4.340 0.000 0.000 0.213 278 L C 2.947 179.808 176.870 -0.014 0.000 1.072 278 L CA 2.125 56.955 54.840 -0.017 0.000 0.755 278 L CB -0.439 41.621 42.059 0.001 0.000 0.889 278 L HN 0.422 nan 8.230 nan 0.000 0.432 279 E N -0.324 119.873 120.200 -0.005 0.000 2.051 279 E HA -0.274 4.076 4.350 0.000 0.000 0.192 279 E C 2.158 178.695 176.600 -0.105 0.000 0.991 279 E CA 1.362 57.733 56.400 -0.049 0.000 0.799 279 E CB -0.128 29.547 29.700 -0.042 0.000 0.748 279 E HN 0.364 nan 8.360 nan 0.000 0.449 280 F N 1.112 120.933 119.950 -0.215 0.000 2.186 280 F HA -0.156 4.371 4.527 0.000 0.000 0.299 280 F C 2.281 177.966 175.800 -0.192 0.000 1.090 280 F CA 1.696 59.541 58.000 -0.260 0.000 1.307 280 F CB -0.324 38.551 39.000 -0.208 0.000 1.019 280 F HN -0.020 nan 8.300 nan 0.000 0.489 281 T N -0.321 114.193 114.554 -0.067 0.000 2.746 281 T HA -0.254 4.096 4.350 0.000 0.000 0.267 281 T C 1.753 176.393 174.700 -0.100 0.000 1.039 281 T CA 1.603 63.626 62.100 -0.128 0.000 1.142 281 T CB -0.328 68.456 68.868 -0.140 0.000 0.866 281 T HN 0.233 nan 8.240 nan 0.000 0.444 282 Q N 0.814 120.562 119.800 -0.087 0.000 2.084 282 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 282 Q C 2.113 178.041 176.000 -0.120 0.000 0.978 282 Q CA 1.220 56.989 55.803 -0.056 0.000 0.844 282 Q CB -0.761 27.949 28.738 -0.047 0.000 0.898 282 Q HN 0.438 nan 8.270 nan 0.000 0.426 283 L N -0.345 120.730 121.223 -0.246 0.000 2.042 283 L HA -0.178 4.162 4.340 0.000 0.000 0.210 283 L C 2.138 178.841 176.870 -0.279 0.000 1.076 283 L CA 1.905 56.571 54.840 -0.291 0.000 0.749 283 L CB -1.040 40.749 42.059 -0.451 0.000 0.893 283 L HN 0.396 nan 8.230 nan 0.000 0.432 284 C N -0.347 118.725 119.300 -0.380 0.000 2.429 284 C HA -0.147 4.313 4.460 0.000 0.000 0.277 284 C C 2.735 177.754 174.990 0.049 0.000 1.262 284 C CA 0.966 59.833 59.018 -0.250 0.000 1.733 284 C CB -0.973 26.518 27.740 -0.416 0.000 2.010 284 C HN 0.602 nan 8.230 nan 0.000 0.483 285 I N 1.125 121.770 120.570 0.124 0.000 2.226 285 I HA -0.196 3.974 4.170 0.000 0.000 0.245 285 I C 2.031 178.159 176.117 0.018 0.000 1.100 285 I CA 1.552 62.931 61.300 0.133 0.000 1.374 285 I CB -0.615 37.452 38.000 0.111 0.000 1.057 285 I HN 0.328 nan 8.210 nan 0.000 0.413 286 D N 0.859 121.237 120.400 -0.036 0.000 2.178 286 D HA -0.096 4.544 4.640 0.000 0.000 0.201 286 D C 1.997 178.245 176.300 -0.086 0.000 0.980 286 D CA 1.158 55.114 54.000 -0.074 0.000 0.842 286 D CB -0.124 40.611 40.800 -0.108 0.000 0.948 286 D HN 0.339 nan 8.370 nan 0.000 0.472 287 L N -0.808 120.368 121.223 -0.079 0.000 2.612 287 L HA 0.231 4.571 4.340 0.000 0.000 0.230 287 L C 1.488 178.323 176.870 -0.060 0.000 1.140 287 L CA 0.328 55.117 54.840 -0.085 0.000 0.896 287 L CB 0.046 42.039 42.059 -0.109 0.000 1.065 287 L HN 0.136 nan 8.230 nan 0.000 0.447 288 G N -1.186 107.598 108.800 -0.027 0.000 2.201 288 G HA2 -0.296 3.664 3.960 0.000 0.000 0.212 288 G HA3 -0.296 3.664 3.960 0.000 0.000 0.212 288 G C -0.085 174.827 174.900 0.020 0.000 0.994 288 G CA -0.360 44.724 45.100 -0.026 0.000 0.644 288 G HN 0.303 nan 8.290 nan 0.000 0.508 289 W N 2.654 123.883 121.300 -0.117 0.000 2.181 289 W HA 0.658 5.318 4.660 0.000 0.000 0.335 289 W C 0.108 176.586 176.519 -0.068 0.000 1.310 289 W CA -0.335 56.952 57.345 -0.096 0.000 1.226 289 W CB 0.625 30.026 29.460 -0.099 0.000 1.155 289 W HN -0.019 nan 8.180 nan 0.000 0.565 290 K N 8.157 128.047 120.400 -0.851 0.000 2.284 290 K HA 0.266 4.586 4.320 0.000 0.000 0.287 290 K C -2.240 173.527 176.600 -1.387 0.000 1.081 290 K CA -1.894 53.900 56.287 -0.823 0.000 0.910 290 K CB 0.408 32.610 32.500 -0.496 0.000 1.088 290 K HN 0.183 nan 8.250 nan 0.000 0.478 291 P HA 0.111 nan 4.420 nan 0.000 0.271 291 P C -0.517 176.325 177.300 -0.762 0.000 1.220 291 P CA -0.131 62.382 63.100 -0.979 0.000 0.768 291 P CB 1.045 32.277 31.700 -0.780 0.000 0.848 292 R N 1.758 121.921 120.500 -0.561 0.000 2.362 292 R HA 0.131 4.471 4.340 0.000 0.000 0.227 292 R C 0.010 176.167 176.300 -0.238 0.000 0.905 292 R CA -0.262 55.685 56.100 -0.255 0.000 1.067 292 R CB -0.434 29.832 30.300 -0.057 0.000 1.078 292 R HN 0.421 nan 8.270 nan 0.000 0.516 293 Y N -0.387 119.439 120.300 -0.790 0.000 3.225 293 Y HA -0.287 4.263 4.550 0.000 0.000 0.211 293 Y C 0.848 176.567 175.900 -0.301 0.000 1.223 293 Y CA 0.561 58.076 58.100 -0.975 0.000 1.284 293 Y CB -1.908 36.199 38.460 -0.589 0.000 1.367 293 Y HN 0.234 nan 8.280 nan 0.000 0.566 294 G N -0.504 108.349 108.800 0.089 0.000 2.552 294 G HA2 0.512 4.472 3.960 0.000 0.000 0.324 294 G HA3 0.512 4.472 3.960 0.000 0.000 0.324 294 G C 0.516 175.528 174.900 0.186 0.000 1.217 294 G CA -0.612 44.584 45.100 0.161 0.000 0.989 294 G HN 0.285 nan 8.290 nan 0.000 0.490 295 R N -1.184 119.318 120.500 0.004 0.000 2.119 295 R HA 0.139 4.479 4.340 0.000 0.000 0.222 295 R C 0.082 175.977 176.300 -0.676 0.000 1.088 295 R CA 0.873 56.786 56.100 -0.312 0.000 0.984 295 R CB -0.065 29.976 30.300 -0.431 0.000 0.884 295 R HN 0.381 nan 8.270 nan 0.000 0.447 296 F N 0.948 120.849 119.950 -0.082 0.000 2.577 296 F HA 0.292 4.820 4.527 0.000 0.000 0.342 296 F C -1.086 174.594 175.800 -0.199 0.000 1.479 296 F CA -1.192 56.455 58.000 -0.588 0.000 1.110 296 F CB 0.798 39.275 39.000 -0.871 0.000 1.306 296 F HN -0.254 nan 8.300 nan 0.000 0.554 297 D N 1.603 122.145 120.400 0.237 0.000 2.316 297 D HA 0.204 4.844 4.640 0.000 0.000 0.245 297 D C 0.196 176.764 176.300 0.447 0.000 1.171 297 D CA 0.015 54.244 54.000 0.382 0.000 0.856 297 D CB 2.180 43.275 40.800 0.492 0.000 1.090 297 D HN -0.034 nan 8.370 nan 0.000 0.476 298 V N 3.751 123.908 119.914 0.404 0.000 2.529 298 V HA -0.019 4.101 4.120 0.000 0.000 0.292 298 V C 1.020 177.154 176.094 0.067 0.000 1.028 298 V CA -0.224 62.203 62.300 0.212 0.000 1.074 298 V CB 0.102 31.999 31.823 0.123 0.000 0.958 298 V HN 0.344 nan 8.190 nan 0.000 0.481 299 L N 8.392 129.553 121.223 -0.105 0.000 2.452 299 L HA 0.320 4.660 4.340 0.000 0.000 0.267 299 L C -1.683 175.009 176.870 -0.296 0.000 1.188 299 L CA -1.275 53.363 54.840 -0.336 0.000 0.821 299 L CB 0.656 42.594 42.059 -0.200 0.000 1.102 299 L HN 0.486 nan 8.230 nan 0.000 0.470 300 P HA 0.206 nan 4.420 nan 0.000 0.278 300 P C -1.058 176.198 177.300 -0.073 0.000 1.258 300 P CA -0.575 62.373 63.100 -0.254 0.000 0.811 300 P CB 0.965 32.412 31.700 -0.422 0.000 1.063 301 L N 0.933 122.186 121.223 0.050 0.000 2.331 301 L HA 0.250 4.590 4.340 0.000 0.000 0.278 301 L C 0.202 177.151 176.870 0.131 0.000 1.106 301 L CA -0.715 54.201 54.840 0.127 0.000 0.824 301 L CB 0.913 43.091 42.059 0.199 0.000 1.142 301 L HN 0.085 nan 8.230 nan 0.000 0.443 302 V N 5.947 125.951 119.914 0.150 0.000 2.294 302 V HA 0.330 4.450 4.120 0.000 0.000 0.272 302 V C 0.113 176.213 176.094 0.010 0.000 1.027 302 V CA -0.308 62.013 62.300 0.035 0.000 0.823 302 V CB 1.014 32.883 31.823 0.078 0.000 1.030 302 V HN 0.494 nan 8.190 nan 0.000 0.457 303 L N 4.761 125.984 121.223 -0.000 0.000 2.307 303 L HA 0.616 4.956 4.340 0.000 0.000 0.284 303 L C -0.057 176.724 176.870 -0.148 0.000 1.023 303 L CA -0.348 54.482 54.840 -0.018 0.000 0.810 303 L CB 1.663 43.752 42.059 0.050 0.000 1.231 303 L HN 0.597 nan 8.230 nan 0.000 0.423 304 Q N 3.006 122.720 119.800 -0.143 0.000 2.333 304 Q HA 0.724 5.064 4.340 0.000 0.000 0.265 304 Q C -1.373 174.499 176.000 -0.214 0.000 0.989 304 Q CA -0.579 55.111 55.803 -0.188 0.000 0.842 304 Q CB 2.018 30.739 28.738 -0.030 0.000 1.262 304 Q HN 0.783 nan 8.270 nan 0.000 0.451 305 A N 3.687 126.315 122.820 -0.320 0.000 2.355 305 A HA 0.447 4.767 4.320 0.000 0.000 0.317 305 A C -0.276 176.865 177.584 -0.738 0.000 1.094 305 A CA -0.204 51.417 52.037 -0.693 0.000 0.764 305 A CB 1.202 20.010 19.000 -0.321 0.000 1.230 305 A HN 1.024 nan 8.150 nan 0.000 0.448 306 D N 1.081 120.695 120.400 -1.310 0.000 2.811 306 D HA -0.137 4.503 4.640 0.000 0.000 0.231 306 D C 1.207 177.395 176.300 -0.186 0.000 1.157 306 D CA 2.826 56.516 54.000 -0.516 0.000 0.716 306 D CB -1.057 39.627 40.800 -0.193 0.000 1.077 306 D HN 2.195 nan 8.370 nan 0.000 0.428 307 G N -1.309 107.354 108.800 -0.229 0.000 2.184 307 G HA2 -0.394 3.566 3.960 0.000 0.000 0.264 307 G HA3 -0.394 3.566 3.960 0.000 0.000 0.264 307 G C 0.346 175.210 174.900 -0.061 0.000 0.975 307 G CA 0.739 45.766 45.100 -0.120 0.000 0.642 307 G HN 0.626 nan 8.290 nan 0.000 0.536 308 Q N 0.439 120.181 119.800 -0.096 0.000 2.396 308 Q HA 0.443 4.783 4.340 0.000 0.000 0.221 308 Q C -0.161 175.792 176.000 -0.078 0.000 1.025 308 Q CA -0.663 55.110 55.803 -0.050 0.000 0.946 308 Q CB 0.484 29.184 28.738 -0.063 0.000 1.224 308 Q HN 0.303 nan 8.270 nan 0.000 0.539 309 D N 2.569 122.937 120.400 -0.053 0.000 2.472 309 D HA 0.023 4.663 4.640 0.000 0.000 0.237 309 D C -2.158 173.925 176.300 -0.361 0.000 1.141 309 D CA -0.745 53.127 54.000 -0.214 0.000 0.875 309 D CB 0.074 40.899 40.800 0.042 0.000 1.192 309 D HN 0.215 nan 8.370 nan 0.000 0.450 310 P HA 0.072 nan 4.420 nan 0.000 0.271 310 P C -0.672 176.404 177.300 -0.373 0.000 1.216 310 P CA -0.027 62.660 63.100 -0.689 0.000 0.771 310 P CB 0.844 31.675 31.700 -1.448 0.000 0.864 311 E N 1.028 121.084 120.200 -0.240 0.000 2.195 311 E HA 0.375 4.725 4.350 0.000 0.000 0.271 311 E C -0.601 175.822 176.600 -0.296 0.000 0.923 311 E CA -1.188 55.063 56.400 -0.249 0.000 0.790 311 E CB 1.882 31.465 29.700 -0.195 0.000 1.155 311 E HN 0.175 nan 8.360 nan 0.000 0.402 312 V N 3.415 123.063 119.914 -0.443 0.000 2.546 312 V HA 0.335 4.455 4.120 0.000 0.000 0.284 312 V C -0.656 175.048 176.094 -0.650 0.000 1.050 312 V CA -0.205 61.880 62.300 -0.357 0.000 0.981 312 V CB 0.056 31.745 31.823 -0.223 0.000 0.990 312 V HN 0.518 nan 8.190 nan 0.000 0.474 313 F N 1.779 121.577 119.950 -0.253 0.000 2.579 313 F HA 0.407 4.934 4.527 0.000 0.000 0.325 313 F C 0.394 176.034 175.800 -0.266 0.000 1.162 313 F CA -0.666 57.056 58.000 -0.463 0.000 0.946 313 F CB 1.492 39.894 39.000 -0.997 0.000 1.211 313 F HN 0.445 nan 8.300 nan 0.000 0.447 314 E N 3.741 123.949 120.200 0.012 0.000 2.360 314 E HA 0.287 4.637 4.350 0.000 0.000 0.269 314 E C -0.345 176.408 176.600 0.255 0.000 1.022 314 E CA -0.263 56.226 56.400 0.148 0.000 0.887 314 E CB 1.411 31.233 29.700 0.202 0.000 0.990 314 E HN 0.478 nan 8.360 nan 0.000 0.426 315 I N 4.905 125.626 120.570 0.251 0.000 2.416 315 I HA 0.095 4.265 4.170 0.000 0.000 0.288 315 I C -2.033 174.215 176.117 0.219 0.000 1.051 315 I CA -2.030 59.439 61.300 0.282 0.000 1.375 315 I CB 0.415 38.504 38.000 0.148 0.000 1.407 315 I HN 0.174 nan 8.210 nan 0.000 0.516 316 P HA 0.068 nan 4.420 nan 0.000 0.261 316 P C -2.017 175.347 177.300 0.106 0.000 1.203 316 P CA -0.833 62.358 63.100 0.152 0.000 0.767 316 P CB 0.179 31.951 31.700 0.120 0.000 0.785 317 P HA -0.224 nan 4.420 nan 0.000 0.217 317 P C 0.853 178.193 177.300 0.068 0.000 1.148 317 P CA 1.410 64.565 63.100 0.091 0.000 0.834 317 P CB -0.001 31.756 31.700 0.094 0.000 0.783 318 D N -1.181 119.254 120.400 0.058 0.000 2.263 318 D HA -0.069 4.571 4.640 0.000 0.000 0.208 318 D C 1.730 178.051 176.300 0.034 0.000 0.971 318 D CA 0.909 54.934 54.000 0.042 0.000 0.867 318 D CB -0.186 40.636 40.800 0.035 0.000 0.929 318 D HN 0.273 nan 8.370 nan 0.000 0.492 319 L N 0.350 121.594 121.223 0.035 0.000 2.509 319 L HA 0.043 4.383 4.340 0.000 0.000 0.222 319 L C 0.489 177.377 176.870 0.031 0.000 1.123 319 L CA 0.127 54.981 54.840 0.024 0.000 0.856 319 L CB 0.495 42.558 42.059 0.008 0.000 0.985 319 L HN -0.228 nan 8.230 nan 0.000 0.456 320 V N 2.057 121.995 119.914 0.040 0.000 2.320 320 V HA 0.155 4.275 4.120 0.000 0.000 0.265 320 V C 0.026 176.153 176.094 0.055 0.000 1.048 320 V CA -0.492 61.834 62.300 0.043 0.000 0.865 320 V CB 1.189 33.039 31.823 0.044 0.000 1.043 320 V HN 0.042 nan 8.190 nan 0.000 0.474 321 L N 5.660 126.918 121.223 0.057 0.000 2.331 321 L HA 0.510 4.851 4.340 0.000 0.000 0.278 321 L C 0.112 177.014 176.870 0.054 0.000 1.106 321 L CA 0.732 55.597 54.840 0.042 0.000 0.824 321 L CB 0.687 42.765 42.059 0.031 0.000 1.142 321 L HN 0.682 nan 8.230 nan 0.000 0.443 322 E N 3.160 123.369 120.200 0.015 0.000 2.336 322 E HA 0.603 4.953 4.350 0.000 0.000 0.267 322 E C -1.520 175.015 176.600 -0.108 0.000 0.906 322 E CA -1.040 55.361 56.400 0.002 0.000 0.781 322 E CB 2.505 32.236 29.700 0.050 0.000 1.261 322 E HN 0.370 nan 8.360 nan 0.000 0.436 323 V N 1.649 121.462 119.914 -0.169 0.000 2.444 323 V HA 0.266 4.386 4.120 0.000 0.000 0.294 323 V C -0.103 175.926 176.094 -0.108 0.000 1.022 323 V CA -0.803 61.342 62.300 -0.259 0.000 0.850 323 V CB 1.600 33.026 31.823 -0.662 0.000 0.992 323 V HN 0.845 nan 8.190 nan 0.000 0.426 324 T N 3.658 118.164 114.554 -0.079 0.000 2.832 324 T HA 0.497 4.847 4.350 0.000 0.000 0.296 324 T C -0.086 174.636 174.700 0.036 0.000 0.968 324 T CA -0.768 61.318 62.100 -0.024 0.000 1.107 324 T CB 0.728 69.586 68.868 -0.018 0.000 0.916 324 T HN 0.311 nan 8.240 nan 0.000 0.517 325 M N 3.283 122.953 119.600 0.117 0.000 2.184 325 M HA 0.384 4.864 4.480 0.000 0.000 0.351 325 M C 0.243 176.703 176.300 0.267 0.000 1.395 325 M CA 0.184 55.619 55.300 0.225 0.000 1.117 325 M CB -0.151 32.688 32.600 0.399 0.000 1.708 325 M HN 0.788 nan 8.290 nan 0.000 0.468 326 E N 0.995 121.297 120.200 0.170 0.000 2.367 326 E HA 0.366 4.716 4.350 0.000 0.000 0.273 326 E C -1.130 175.490 176.600 0.034 0.000 0.903 326 E CA -0.736 55.769 56.400 0.176 0.000 0.764 326 E CB 2.664 32.458 29.700 0.157 0.000 1.252 326 E HN 0.516 nan 8.360 nan 0.000 0.446 327 H N 3.283 122.262 119.070 -0.150 0.000 2.457 327 H HA 0.216 4.772 4.556 0.000 0.000 0.335 327 H C -1.822 173.261 175.328 -0.409 0.000 1.115 327 H CA -2.322 53.498 56.048 -0.379 0.000 1.219 327 H CB 1.775 31.279 29.762 -0.429 0.000 1.471 327 H HN 0.342 nan 8.280 nan 0.000 0.491 328 P HA -0.102 nan 4.420 nan 0.000 0.225 328 P C 0.480 177.578 177.300 -0.337 0.000 1.148 328 P CA 1.043 63.639 63.100 -0.839 0.000 0.779 328 P CB 0.760 31.843 31.700 -1.028 0.000 0.780 329 K N -1.572 118.763 120.400 -0.109 0.000 2.493 329 K HA 0.136 4.456 4.320 0.000 0.000 0.201 329 K C 0.704 177.180 176.600 -0.207 0.000 1.355 329 K CA 0.268 56.442 56.287 -0.188 0.000 0.953 329 K CB -0.169 32.122 32.500 -0.348 0.000 1.316 329 K HN 0.250 nan 8.250 nan 0.000 0.522 330 Y N 2.917 123.095 120.300 -0.204 0.000 2.556 330 Y HA 0.113 4.663 4.550 0.000 0.000 0.352 330 Y C 1.291 176.887 175.900 -0.506 0.000 1.006 330 Y CA -0.380 57.323 58.100 -0.662 0.000 1.277 330 Y CB 0.522 38.078 38.460 -1.506 0.000 1.136 330 Y HN 0.061 nan 8.280 nan 0.000 0.523 331 E N 3.644 123.786 120.200 -0.097 0.000 2.204 331 E HA -0.195 4.155 4.350 0.000 0.000 0.195 331 E C 1.470 178.112 176.600 0.070 0.000 0.990 331 E CA 1.123 57.533 56.400 0.017 0.000 0.821 331 E CB -0.047 29.701 29.700 0.081 0.000 0.750 331 E HN 0.874 nan 8.360 nan 0.000 0.477 332 W N -0.210 121.185 121.300 0.158 0.000 2.699 332 W HA -0.040 4.621 4.660 0.000 0.000 0.249 332 W C 1.369 177.941 176.519 0.088 0.000 1.280 332 W CA -0.187 57.209 57.345 0.085 0.000 1.345 332 W CB -0.806 28.662 29.460 0.013 0.000 1.128 332 W HN -0.038 nan 8.180 nan 0.000 0.642 333 F N 3.162 122.953 119.950 -0.264 0.000 2.134 333 F HA -0.287 4.240 4.527 0.000 0.000 0.299 333 F C 3.070 178.905 175.800 0.058 0.000 1.097 333 F CA 2.753 60.668 58.000 -0.141 0.000 1.264 333 F CB -0.496 38.348 39.000 -0.260 0.000 1.001 333 F HN -0.138 nan 8.300 nan 0.000 0.479 334 Q N 1.120 121.069 119.800 0.249 0.000 2.234 334 Q HA -0.253 4.087 4.340 0.000 0.000 0.206 334 Q C 1.601 177.668 176.000 0.112 0.000 0.980 334 Q CA 1.988 57.901 55.803 0.183 0.000 0.869 334 Q CB -0.531 28.295 28.738 0.147 0.000 0.912 334 Q HN 0.589 nan 8.270 nan 0.000 0.436 335 E N 0.327 120.599 120.200 0.121 0.000 2.409 335 E HA -0.081 4.269 4.350 0.000 0.000 0.198 335 E C 1.950 178.578 176.600 0.047 0.000 1.024 335 E CA 0.481 56.938 56.400 0.096 0.000 0.861 335 E CB -0.048 29.731 29.700 0.131 0.000 0.788 335 E HN 0.405 nan 8.360 nan 0.000 0.521 336 L N -0.312 120.904 121.223 -0.011 0.000 2.376 336 L HA 0.036 4.376 4.340 0.000 0.000 0.219 336 L C 1.455 178.323 176.870 -0.003 0.000 1.133 336 L CA 0.438 55.233 54.840 -0.075 0.000 0.816 336 L CB -0.383 41.502 42.059 -0.290 0.000 0.933 336 L HN 0.234 nan 8.230 nan 0.000 0.449 337 G N 1.093 109.912 108.800 0.033 0.000 2.273 337 G HA2 -0.282 3.678 3.960 0.000 0.000 0.280 337 G HA3 -0.282 3.678 3.960 0.000 0.000 0.280 337 G C 0.058 175.018 174.900 0.100 0.000 1.047 337 G CA 0.024 45.173 45.100 0.082 0.000 0.869 337 G HN 0.247 nan 8.290 nan 0.000 0.502 338 L N -0.651 120.579 121.223 0.011 0.000 2.379 338 L HA 0.795 5.135 4.340 0.000 0.000 0.269 338 L C 0.654 177.420 176.870 -0.174 0.000 1.084 338 L CA -0.504 54.288 54.840 -0.081 0.000 0.802 338 L CB 1.619 43.561 42.059 -0.195 0.000 1.175 338 L HN 0.527 nan 8.230 nan 0.000 0.448 339 K N 0.772 120.918 120.400 -0.422 0.000 2.578 339 K HA 0.502 4.822 4.320 0.000 0.000 0.287 339 K C -2.051 174.568 176.600 0.031 0.000 1.010 339 K CA -1.061 55.094 56.287 -0.220 0.000 0.889 339 K CB 2.194 34.473 32.500 -0.369 0.000 1.514 339 K HN 0.578 nan 8.250 nan 0.000 0.424 340 W N 1.803 123.077 121.300 -0.044 0.000 3.137 340 W HA 0.338 4.998 4.660 0.000 0.000 0.324 340 W C -1.309 175.237 176.519 0.046 0.000 1.253 340 W CA -0.802 56.565 57.345 0.038 0.000 1.183 340 W CB 1.578 30.935 29.460 -0.172 0.000 1.424 340 W HN 0.690 nan 8.180 nan 0.000 0.566 341 Y N 1.007 121.165 120.300 -0.236 0.000 2.326 341 Y HA 0.518 5.068 4.550 0.000 0.000 0.333 341 Y C 0.813 176.896 175.900 0.305 0.000 1.240 341 Y CA 0.096 58.171 58.100 -0.042 0.000 1.365 341 Y CB 0.182 38.501 38.460 -0.235 0.000 1.289 341 Y HN 0.340 nan 8.280 nan 0.000 0.548 342 A N 2.344 125.395 122.820 0.386 0.000 2.072 342 A HA 0.105 4.425 4.320 0.000 0.000 0.216 342 A C 0.435 178.381 177.584 0.604 0.000 1.156 342 A CA 0.160 52.488 52.037 0.485 0.000 0.701 342 A CB -0.239 18.883 19.000 0.202 0.000 0.816 342 A HN 0.663 nan 8.150 nan 0.000 0.458 343 L N 2.049 123.569 121.223 0.494 0.000 2.262 343 L HA 0.421 4.761 4.340 0.000 0.000 0.288 343 L C -2.579 174.444 176.870 0.254 0.000 1.035 343 L CA -2.201 52.830 54.840 0.319 0.000 0.820 343 L CB 1.457 43.625 42.059 0.183 0.000 1.204 343 L HN -0.042 nan 8.230 nan 0.000 0.424 344 P HA 0.381 nan 4.420 nan 0.000 0.291 344 P C -1.504 175.688 177.300 -0.179 0.000 1.378 344 P CA -0.339 62.572 63.100 -0.316 0.000 0.853 344 P CB 1.360 32.480 31.700 -0.967 0.000 1.002 345 A N 4.271 127.002 122.820 -0.147 0.000 2.357 345 A HA 0.475 4.795 4.320 0.000 0.000 0.295 345 A C -0.379 176.999 177.584 -0.342 0.000 1.121 345 A CA -0.688 51.205 52.037 -0.242 0.000 0.742 345 A CB 1.249 20.114 19.000 -0.224 0.000 1.181 345 A HN 0.283 nan 8.150 nan 0.000 0.454 346 V N 2.340 121.905 119.914 -0.581 0.000 2.508 346 V HA 0.394 4.514 4.120 0.000 0.000 0.281 346 V C 1.189 176.868 176.094 -0.692 0.000 1.041 346 V CA 0.908 62.804 62.300 -0.674 0.000 1.016 346 V CB 0.924 32.141 31.823 -1.011 0.000 0.984 346 V HN 1.129 nan 8.190 nan 0.000 0.478 347 A N 4.227 126.819 122.820 -0.379 0.000 2.259 347 A HA 0.143 4.463 4.320 0.000 0.000 0.213 347 A C 1.324 178.836 177.584 -0.120 0.000 1.209 347 A CA 0.318 52.209 52.037 -0.244 0.000 0.910 347 A CB -0.004 18.899 19.000 -0.161 0.000 0.946 347 A HN 0.810 nan 8.150 nan 0.000 0.497 348 N N -0.475 118.164 118.700 -0.102 0.000 2.238 348 N HA 0.230 4.970 4.740 0.000 0.000 0.222 348 N C 0.024 175.559 175.510 0.041 0.000 1.133 348 N CA -0.130 52.910 53.050 -0.016 0.000 0.854 348 N CB -0.309 38.161 38.487 -0.027 0.000 1.041 348 N HN 0.370 nan 8.380 nan 0.000 0.510 349 M N 0.372 120.001 119.600 0.049 0.000 2.371 349 M HA 0.356 4.836 4.480 0.000 0.000 0.301 349 M C -0.384 176.054 176.300 0.231 0.000 1.173 349 M CA -0.826 54.573 55.300 0.166 0.000 1.020 349 M CB 1.821 34.537 32.600 0.194 0.000 1.490 349 M HN 0.060 nan 8.290 nan 0.000 0.485 350 L N 2.263 123.660 121.223 0.290 0.000 2.341 350 L HA 0.532 4.872 4.340 0.000 0.000 0.278 350 L C -1.442 175.662 176.870 0.391 0.000 1.005 350 L CA -1.036 53.992 54.840 0.312 0.000 0.818 350 L CB 1.410 43.613 42.059 0.240 0.000 1.259 350 L HN 0.572 nan 8.230 nan 0.000 0.418 351 L N 5.084 126.540 121.223 0.388 0.000 2.265 351 L HA 0.437 4.777 4.340 0.000 0.000 0.288 351 L C -0.349 176.685 176.870 0.273 0.000 1.058 351 L CA 0.425 55.431 54.840 0.277 0.000 0.809 351 L CB 0.954 43.138 42.059 0.209 0.000 1.179 351 L HN 0.625 nan 8.230 nan 0.000 0.429 352 E N 4.904 125.218 120.200 0.190 0.000 2.166 352 E HA 0.538 4.888 4.350 0.000 0.000 0.275 352 E C -1.846 174.776 176.600 0.038 0.000 0.941 352 E CA -0.430 56.072 56.400 0.169 0.000 0.784 352 E CB 1.880 31.767 29.700 0.312 0.000 1.115 352 E HN 0.531 nan 8.360 nan 0.000 0.399 353 V N 2.963 122.867 119.914 -0.018 0.000 2.789 353 V HA 0.456 4.576 4.120 0.000 0.000 0.300 353 V C 0.260 176.228 176.094 -0.211 0.000 1.184 353 V CA 0.427 62.606 62.300 -0.203 0.000 0.930 353 V CB 1.347 32.950 31.823 -0.368 0.000 1.041 353 V HN 0.864 nan 8.190 nan 0.000 0.430 354 G N 4.276 112.981 108.800 -0.158 0.000 2.416 354 G HA2 0.086 4.046 3.960 0.000 0.000 0.301 354 G HA3 0.086 4.046 3.960 0.000 0.000 0.301 354 G C 1.641 176.687 174.900 0.243 0.000 0.985 354 G CA 1.562 46.745 45.100 0.137 0.000 0.934 354 G HN 2.789 nan 8.290 nan 0.000 0.513 355 G N -2.186 106.698 108.800 0.140 0.000 2.217 355 G HA2 -0.236 3.724 3.960 0.000 0.000 0.246 355 G HA3 -0.236 3.724 3.960 0.000 0.000 0.246 355 G C 0.490 175.440 174.900 0.083 0.000 0.990 355 G CA 0.497 45.716 45.100 0.198 0.000 0.627 355 G HN 1.227 nan 8.290 nan 0.000 0.522 356 L N 0.483 121.702 121.223 -0.006 0.000 2.379 356 L HA 0.713 5.053 4.340 0.000 0.000 0.269 356 L C 0.277 177.045 176.870 -0.170 0.000 1.084 356 L CA -0.650 54.089 54.840 -0.168 0.000 0.802 356 L CB 1.241 43.104 42.059 -0.326 0.000 1.175 356 L HN 0.178 nan 8.230 nan 0.000 0.448 357 E N 1.622 121.643 120.200 -0.299 0.000 2.246 357 E HA 0.406 4.756 4.350 0.000 0.000 0.266 357 E C -1.639 174.772 176.600 -0.316 0.000 0.880 357 E CA -0.422 55.880 56.400 -0.163 0.000 0.762 357 E CB 2.119 31.770 29.700 -0.083 0.000 1.180 357 E HN 0.259 nan 8.360 nan 0.000 0.416 358 F N 3.036 123.015 119.950 0.049 0.000 2.359 358 F HA 0.304 4.831 4.527 0.000 0.000 0.370 358 F C -1.822 174.056 175.800 0.129 0.000 1.077 358 F CA -2.161 55.888 58.000 0.080 0.000 1.136 358 F CB 1.437 40.475 39.000 0.064 0.000 1.387 358 F HN 0.347 nan 8.300 nan 0.000 0.468 359 P HA -0.063 nan 4.420 nan 0.000 0.228 359 P C -0.137 177.309 177.300 0.243 0.000 1.151 359 P CA 0.707 63.931 63.100 0.208 0.000 0.770 359 P CB 0.421 32.215 31.700 0.156 0.000 0.786 360 A N 0.056 123.071 122.820 0.325 0.000 2.457 360 A HA 0.556 4.876 4.320 0.000 0.000 0.283 360 A C -0.347 177.495 177.584 0.431 0.000 1.166 360 A CA -0.445 51.805 52.037 0.354 0.000 0.740 360 A CB 0.332 19.538 19.000 0.343 0.000 1.181 360 A HN 0.247 nan 8.150 nan 0.000 0.446 361 C N 1.004 120.491 119.300 0.311 0.000 3.253 361 C HA 0.489 4.949 4.460 0.000 0.000 0.230 361 C C -2.858 172.226 174.990 0.157 0.000 1.124 361 C CA -1.553 57.600 59.018 0.224 0.000 1.143 361 C CB -0.184 27.689 27.740 0.221 0.000 1.794 361 C HN 0.585 nan 8.230 nan 0.000 0.617 362 P HA 0.387 nan 4.420 nan 0.000 0.268 362 P C -0.621 176.645 177.300 -0.056 0.000 1.204 362 P CA 0.856 63.876 63.100 -0.134 0.000 0.768 362 P CB 0.646 32.267 31.700 -0.133 0.000 0.842 363 F N 0.428 120.287 119.950 -0.152 0.000 2.629 363 F HA 0.694 5.221 4.527 0.000 0.000 0.316 363 F C -0.755 174.941 175.800 -0.173 0.000 1.081 363 F CA -1.166 56.753 58.000 -0.136 0.000 0.954 363 F CB 1.694 40.479 39.000 -0.359 0.000 1.337 363 F HN 0.373 nan 8.300 nan 0.000 0.474 364 N N -0.212 118.571 118.700 0.139 0.000 2.494 364 N HA 0.715 5.455 4.740 0.000 0.000 0.270 364 N C -1.280 174.172 175.510 -0.098 0.000 1.285 364 N CA -0.433 52.622 53.050 0.009 0.000 0.812 364 N CB 1.969 40.506 38.487 0.084 0.000 1.557 364 N HN 1.091 nan 8.380 nan 0.000 0.487 365 G N -0.805 107.897 108.800 -0.163 0.000 3.214 365 G HA2 0.678 4.639 3.960 0.000 0.000 0.188 365 G HA3 0.678 4.639 3.960 0.000 0.000 0.188 365 G C -1.766 173.082 174.900 -0.087 0.000 1.126 365 G CA -0.750 44.172 45.100 -0.298 0.000 0.796 365 G HN 0.695 nan 8.290 nan 0.000 0.631 366 W N -1.563 119.737 121.300 -0.000 0.000 2.820 366 W HA 0.815 5.475 4.660 0.000 0.000 0.350 366 W C -1.352 175.157 176.519 -0.017 0.000 1.116 366 W CA -2.224 55.134 57.345 0.023 0.000 1.146 366 W CB 0.353 29.863 29.460 0.084 0.000 1.433 366 W HN 0.409 nan 8.180 nan 0.000 0.561 367 Y N 2.314 122.790 120.300 0.294 0.000 2.457 367 Y HA 0.219 4.769 4.550 0.000 0.000 0.341 367 Y C 0.739 176.675 175.900 0.060 0.000 1.240 367 Y CA -0.335 57.810 58.100 0.075 0.000 1.437 367 Y CB 0.972 39.361 38.460 -0.118 0.000 1.328 367 Y HN 0.439 nan 8.280 nan 0.000 0.588 368 M N 2.248 121.982 119.600 0.222 0.000 2.227 368 M HA 0.363 4.843 4.480 0.000 0.000 0.335 368 M C 1.087 177.365 176.300 -0.038 0.000 1.053 368 M CA -0.167 55.191 55.300 0.097 0.000 0.973 368 M CB 1.384 34.028 32.600 0.072 0.000 1.623 368 M HN 0.843 nan 8.290 nan 0.000 0.434 369 G N 1.719 110.448 108.800 -0.117 0.000 2.606 369 G HA2 -0.344 3.616 3.960 0.000 0.000 0.221 369 G HA3 -0.344 3.616 3.960 0.000 0.000 0.221 369 G C 1.141 175.870 174.900 -0.285 0.000 1.152 369 G CA 1.977 46.934 45.100 -0.238 0.000 0.765 369 G HN 0.882 nan 8.290 nan 0.000 0.595 370 T N -0.828 113.572 114.554 -0.256 0.000 2.881 370 T HA -0.050 4.300 4.350 0.000 0.000 0.270 370 T C 1.936 176.453 174.700 -0.305 0.000 1.068 370 T CA 1.665 63.570 62.100 -0.326 0.000 1.131 370 T CB -0.307 68.307 68.868 -0.423 0.000 0.871 370 T HN 0.560 nan 8.240 nan 0.000 0.479 371 E N 0.916 120.963 120.200 -0.254 0.000 2.085 371 E HA -0.059 4.291 4.350 0.000 0.000 0.194 371 E C 2.094 178.407 176.600 -0.478 0.000 0.994 371 E CA 1.426 57.689 56.400 -0.229 0.000 0.801 371 E CB -0.289 29.424 29.700 0.022 0.000 0.743 371 E HN 0.605 nan 8.360 nan 0.000 0.453 372 I N 0.260 120.393 120.570 -0.727 0.000 2.364 372 I HA -0.041 4.129 4.170 0.000 0.000 0.241 372 I C 2.630 178.128 176.117 -1.031 0.000 1.082 372 I CA 0.823 61.393 61.300 -1.216 0.000 1.401 372 I CB -0.551 36.630 38.000 -1.366 0.000 1.126 372 I HN 0.091 nan 8.210 nan 0.000 0.429 373 G N 0.660 109.102 108.800 -0.596 0.000 2.442 373 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 373 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 373 G C 1.553 176.374 174.900 -0.131 0.000 1.141 373 G CA 1.266 46.222 45.100 -0.240 0.000 0.763 373 G HN 0.253 nan 8.290 nan 0.000 0.554 374 V N -0.146 119.635 119.914 -0.222 0.000 2.627 374 V HA 0.112 4.232 4.120 0.000 0.000 0.239 374 V C 2.722 178.732 176.094 -0.139 0.000 1.077 374 V CA 0.691 62.901 62.300 -0.149 0.000 1.103 374 V CB -0.199 31.511 31.823 -0.189 0.000 0.802 374 V HN 0.090 nan 8.190 nan 0.000 0.482 375 R N 0.891 121.268 120.500 -0.205 0.000 2.055 375 R HA -0.036 4.304 4.340 0.000 0.000 0.228 375 R C 1.962 178.186 176.300 -0.127 0.000 1.143 375 R CA 1.583 57.590 56.100 -0.156 0.000 0.945 375 R CB -1.152 29.047 30.300 -0.168 0.000 0.841 375 R HN 0.471 nan 8.270 nan 0.000 0.429 376 D N 0.446 120.664 120.400 -0.304 0.000 2.092 376 D HA -0.136 4.504 4.640 0.000 0.000 0.193 376 D C 1.915 178.245 176.300 0.049 0.000 0.994 376 D CA 1.193 55.004 54.000 -0.316 0.000 0.828 376 D CB -0.200 39.856 40.800 -1.240 0.000 0.963 376 D HN 0.091 nan 8.370 nan 0.000 0.450 377 F N 0.307 120.174 119.950 -0.139 0.000 2.270 377 F HA 0.022 4.549 4.527 0.000 0.000 0.295 377 F C 2.430 178.276 175.800 0.077 0.000 1.087 377 F CA -0.189 57.823 58.000 0.020 0.000 1.365 377 F CB -0.734 38.264 39.000 -0.003 0.000 1.056 377 F HN 0.043 nan 8.300 nan 0.000 0.506 378 C N -1.253 118.169 119.300 0.203 0.000 2.865 378 C HA 0.186 4.646 4.460 0.000 0.000 0.280 378 C C 0.432 175.469 174.990 0.078 0.000 1.255 378 C CA -0.672 58.423 59.018 0.128 0.000 1.705 378 C CB -0.620 27.166 27.740 0.076 0.000 2.080 378 C HN 0.073 nan 8.230 nan 0.000 0.591 379 D N 1.853 122.292 120.400 0.064 0.000 2.455 379 D HA 0.079 4.719 4.640 0.000 0.000 0.241 379 D C 1.562 177.903 176.300 0.068 0.000 1.138 379 D CA 0.493 54.519 54.000 0.042 0.000 0.877 379 D CB 1.034 41.854 40.800 0.032 0.000 1.187 379 D HN 0.418 nan 8.370 nan 0.000 0.451 380 T N -0.231 114.352 114.554 0.048 0.000 2.833 380 T HA -0.251 4.099 4.350 0.000 0.000 0.269 380 T C 1.356 176.086 174.700 0.049 0.000 1.054 380 T CA 0.865 62.997 62.100 0.053 0.000 1.135 380 T CB -0.055 68.838 68.868 0.041 0.000 0.869 380 T HN 0.469 nan 8.240 nan 0.000 0.466 381 Q N 1.094 120.920 119.800 0.043 0.000 2.322 381 Q HA 0.154 4.494 4.340 0.000 0.000 0.203 381 Q C 0.744 176.770 176.000 0.043 0.000 0.923 381 Q CA -0.028 55.797 55.803 0.037 0.000 0.949 381 Q CB 0.061 28.819 28.738 0.033 0.000 1.039 381 Q HN 0.412 nan 8.270 nan 0.000 0.496 382 R N -0.499 120.044 120.500 0.072 0.000 2.845 382 R HA 0.252 4.592 4.340 0.000 0.000 0.112 382 R C 1.343 177.687 176.300 0.073 0.000 1.012 382 R CA -0.455 55.712 56.100 0.112 0.000 0.744 382 R CB -1.101 29.333 30.300 0.224 0.000 0.926 382 R HN 0.059 nan 8.270 nan 0.000 0.376 383 Y N 1.564 121.991 120.300 0.212 0.000 2.509 383 Y HA -0.066 4.484 4.550 0.000 0.000 0.293 383 Y C 0.656 176.640 175.900 0.140 0.000 1.133 383 Y CA 0.799 59.026 58.100 0.212 0.000 1.283 383 Y CB -0.387 38.288 38.460 0.358 0.000 1.001 383 Y HN 0.465 nan 8.280 nan 0.000 0.555 384 N N 0.856 119.698 118.700 0.238 0.000 2.689 384 N HA -0.231 4.509 4.740 0.000 0.000 0.263 384 N C 0.371 175.970 175.510 0.148 0.000 0.987 384 N CA 0.838 53.983 53.050 0.158 0.000 0.782 384 N CB -1.265 37.283 38.487 0.101 0.000 0.903 384 N HN 0.669 nan 8.380 nan 0.000 0.547 385 I N -3.303 117.365 120.570 0.164 0.000 3.793 385 I HA 0.098 4.268 4.170 0.000 0.000 0.315 385 I C 1.704 177.895 176.117 0.123 0.000 1.275 385 I CA -0.382 60.980 61.300 0.104 0.000 1.214 385 I CB -0.067 37.947 38.000 0.024 0.000 1.018 385 I HN 0.137 nan 8.210 nan 0.000 0.439 386 L N 1.999 123.320 121.223 0.164 0.000 1.990 386 L HA -0.257 4.083 4.340 0.000 0.000 0.213 386 L C 2.582 179.658 176.870 0.343 0.000 1.072 386 L CA 2.391 57.363 54.840 0.220 0.000 0.755 386 L CB -0.809 41.342 42.059 0.153 0.000 0.889 386 L HN 0.529 nan 8.230 nan 0.000 0.432 387 E N -0.996 119.385 120.200 0.302 0.000 2.077 387 E HA -0.282 4.068 4.350 0.000 0.000 0.193 387 E C 2.154 178.740 176.600 -0.024 0.000 0.989 387 E CA 1.372 57.875 56.400 0.171 0.000 0.800 387 E CB -0.198 29.547 29.700 0.074 0.000 0.746 387 E HN 0.631 nan 8.360 nan 0.000 0.452 388 E N -0.195 120.001 120.200 -0.008 0.000 2.110 388 E HA -0.166 4.184 4.350 0.000 0.000 0.193 388 E C 2.054 178.586 176.600 -0.113 0.000 0.988 388 E CA 1.228 57.579 56.400 -0.083 0.000 0.804 388 E CB 0.195 29.858 29.700 -0.062 0.000 0.745 388 E HN 0.187 nan 8.360 nan 0.000 0.458 389 V N 0.319 120.235 119.914 0.005 0.000 2.515 389 V HA -0.152 3.968 4.120 0.000 0.000 0.250 389 V C 2.310 178.420 176.094 0.027 0.000 1.058 389 V CA 1.691 64.037 62.300 0.077 0.000 1.064 389 V CB -0.636 31.336 31.823 0.248 0.000 0.675 389 V HN 0.446 nan 8.190 nan 0.000 0.461 390 G N 0.091 108.932 108.800 0.069 0.000 2.433 390 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 390 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 390 G C 1.725 176.485 174.900 -0.232 0.000 1.186 390 G CA 0.706 45.808 45.100 0.003 0.000 0.779 390 G HN 0.420 nan 8.290 nan 0.000 0.543 391 R N 0.084 120.390 120.500 -0.322 0.000 2.083 391 R HA -0.031 4.309 4.340 0.000 0.000 0.237 391 R C 2.736 178.793 176.300 -0.404 0.000 1.137 391 R CA 1.273 57.165 56.100 -0.348 0.000 0.951 391 R CB -0.367 29.746 30.300 -0.311 0.000 0.851 391 R HN 0.265 nan 8.270 nan 0.000 0.434 392 R N 0.182 120.342 120.500 -0.566 0.000 2.193 392 R HA -0.054 4.286 4.340 0.000 0.000 0.229 392 R C 1.899 177.647 176.300 -0.920 0.000 1.110 392 R CA 1.093 56.590 56.100 -1.004 0.000 0.988 392 R CB -0.125 29.116 30.300 -1.765 0.000 0.871 392 R HN 0.282 nan 8.270 nan 0.000 0.458 393 M N -0.751 118.556 119.600 -0.489 0.000 2.495 393 M HA 0.137 4.617 4.480 0.000 0.000 0.237 393 M C 0.775 176.985 176.300 -0.149 0.000 1.131 393 M CA 0.438 55.598 55.300 -0.234 0.000 1.032 393 M CB 0.889 33.456 32.600 -0.055 0.000 1.513 393 M HN 0.367 nan 8.290 nan 0.000 0.488 394 G N 1.844 110.520 108.800 -0.207 0.000 2.176 394 G HA2 -0.237 3.724 3.960 0.000 0.000 0.252 394 G HA3 -0.237 3.724 3.960 0.000 0.000 0.252 394 G C -0.042 174.794 174.900 -0.107 0.000 1.024 394 G CA -0.130 44.881 45.100 -0.148 0.000 0.755 394 G HN 0.401 nan 8.290 nan 0.000 0.507 395 L N -0.573 120.577 121.223 -0.122 0.000 2.439 395 L HA 0.386 4.726 4.340 0.000 0.000 0.261 395 L C 0.985 177.738 176.870 -0.195 0.000 1.153 395 L CA -0.628 54.162 54.840 -0.084 0.000 0.808 395 L CB 0.559 42.631 42.059 0.022 0.000 1.126 395 L HN 0.172 nan 8.230 nan 0.000 0.460 396 E N 0.290 120.415 120.200 -0.124 0.000 1.999 396 E HA -0.020 4.330 4.350 0.000 0.000 0.296 396 E C 0.842 177.189 176.600 -0.422 0.000 1.187 396 E CA -0.059 56.247 56.400 -0.157 0.000 1.229 396 E CB -0.007 29.687 29.700 -0.010 0.000 1.131 396 E HN 0.637 nan 8.360 nan 0.000 0.478 397 T N -1.820 112.223 114.554 -0.851 0.000 3.155 397 T HA -0.134 4.216 4.350 0.000 0.000 0.264 397 T C 0.972 175.069 174.700 -1.005 0.000 1.160 397 T CA 0.695 61.781 62.100 -1.691 0.000 1.075 397 T CB -0.026 67.849 68.868 -1.656 0.000 0.921 397 T HN 0.407 nan 8.240 nan 0.000 0.533 398 H N 0.330 119.218 119.070 -0.303 0.000 2.594 398 H HA 0.293 4.849 4.556 0.000 0.000 0.279 398 H C -0.145 175.195 175.328 0.019 0.000 1.042 398 H CA 0.005 55.996 56.048 -0.095 0.000 1.177 398 H CB 0.699 30.406 29.762 -0.093 0.000 1.524 398 H HN 0.346 nan 8.280 nan 0.000 0.537 399 T N 1.853 116.494 114.554 0.144 0.000 3.009 399 T HA 0.207 4.557 4.350 0.000 0.000 0.346 399 T C 1.458 176.334 174.700 0.294 0.000 1.092 399 T CA -0.360 61.849 62.100 0.182 0.000 1.080 399 T CB 1.354 70.297 68.868 0.126 0.000 1.037 399 T HN 0.086 nan 8.240 nan 0.000 0.487 400 L N 1.745 123.126 121.223 0.263 0.000 2.043 400 L HA -0.191 4.149 4.340 0.000 0.000 0.212 400 L C 2.829 179.772 176.870 0.122 0.000 1.075 400 L CA 1.677 56.637 54.840 0.201 0.000 0.752 400 L CB -0.425 41.700 42.059 0.110 0.000 0.891 400 L HN 0.741 nan 8.230 nan 0.000 0.432 401 A N -0.306 122.578 122.820 0.106 0.000 2.131 401 A HA -0.213 4.107 4.320 0.000 0.000 0.220 401 A C 2.393 180.029 177.584 0.087 0.000 1.158 401 A CA 1.721 53.803 52.037 0.075 0.000 0.665 401 A CB -0.597 18.441 19.000 0.063 0.000 0.795 401 A HN 0.592 nan 8.150 nan 0.000 0.460 402 S N -0.626 115.159 115.700 0.141 0.000 2.507 402 S HA 0.050 4.520 4.470 0.000 0.000 0.235 402 S C 0.915 175.598 174.600 0.138 0.000 0.988 402 S CA 0.794 59.084 58.200 0.150 0.000 0.944 402 S CB -0.729 62.591 63.200 0.199 0.000 0.762 402 S HN 0.923 nan 8.310 nan 0.000 0.526 403 L N 0.152 121.430 121.223 0.092 0.000 4.089 403 L HA -0.173 4.167 4.340 0.000 0.000 0.408 403 L C 1.636 178.518 176.870 0.020 0.000 1.184 403 L CA 0.757 55.598 54.840 0.000 0.000 0.947 403 L CB -2.728 39.340 42.059 0.015 0.000 2.066 403 L HN 0.758 nan 8.230 nan 0.000 0.851 404 W N 0.476 121.786 121.300 0.016 0.000 2.342 404 W HA -0.170 4.490 4.660 0.000 0.000 0.297 404 W C 1.699 178.231 176.519 0.022 0.000 1.213 404 W CA 1.427 58.780 57.345 0.013 0.000 1.251 404 W CB -0.732 28.722 29.460 -0.011 0.000 1.136 404 W HN 0.271 nan 8.180 nan 0.000 0.526 405 K N 0.792 120.660 120.400 -0.887 0.000 2.097 405 K HA -0.161 4.159 4.320 0.000 0.000 0.206 405 K C 1.670 178.098 176.600 -0.287 0.000 1.049 405 K CA 2.022 57.799 56.287 -0.850 0.000 0.933 405 K CB -0.386 31.519 32.500 -0.991 0.000 0.717 405 K HN 0.130 nan 8.250 nan 0.000 0.442 406 D N 0.511 120.799 120.400 -0.187 0.000 2.144 406 D HA -0.129 4.511 4.640 0.000 0.000 0.200 406 D C 2.013 178.323 176.300 0.017 0.000 0.978 406 D CA 1.027 54.988 54.000 -0.066 0.000 0.833 406 D CB 0.013 40.788 40.800 -0.041 0.000 0.961 406 D HN 0.217 nan 8.370 nan 0.000 0.470 407 R N 0.831 121.368 120.500 0.061 0.000 2.075 407 R HA -0.021 4.319 4.340 0.000 0.000 0.232 407 R C 2.415 178.818 176.300 0.173 0.000 1.126 407 R CA 1.039 57.216 56.100 0.129 0.000 0.963 407 R CB -0.186 30.212 30.300 0.163 0.000 0.858 407 R HN 0.064 nan 8.270 nan 0.000 0.435 408 A N 0.674 123.606 122.820 0.187 0.000 1.855 408 A HA -0.125 4.195 4.320 0.000 0.000 0.215 408 A C 2.273 179.979 177.584 0.204 0.000 1.191 408 A CA 1.369 53.550 52.037 0.239 0.000 0.613 408 A CB -0.860 18.320 19.000 0.300 0.000 0.829 408 A HN 0.189 nan 8.150 nan 0.000 0.442 409 V N -0.082 119.901 119.914 0.115 0.000 2.469 409 V HA -0.223 3.897 4.120 0.000 0.000 0.251 409 V C 2.545 178.702 176.094 0.105 0.000 1.064 409 V CA 2.912 65.267 62.300 0.092 0.000 1.066 409 V CB -0.803 31.025 31.823 0.009 0.000 0.667 409 V HN 0.644 nan 8.190 nan 0.000 0.461 410 T N -0.390 114.232 114.554 0.113 0.000 2.821 410 T HA -0.102 4.248 4.350 0.000 0.000 0.267 410 T C 1.769 176.561 174.700 0.154 0.000 1.046 410 T CA 1.373 63.546 62.100 0.120 0.000 1.139 410 T CB -0.194 68.744 68.868 0.117 0.000 0.871 410 T HN 0.513 nan 8.240 nan 0.000 0.454 411 E N 0.933 121.270 120.200 0.227 0.000 2.150 411 E HA 0.037 4.387 4.350 0.000 0.000 0.193 411 E C 2.167 178.918 176.600 0.252 0.000 0.985 411 E CA 0.592 57.187 56.400 0.325 0.000 0.814 411 E CB -0.296 29.677 29.700 0.455 0.000 0.752 411 E HN 0.534 nan 8.360 nan 0.000 0.466 412 I N 1.487 122.214 120.570 0.262 0.000 2.252 412 I HA -0.235 3.935 4.170 0.000 0.000 0.245 412 I C 2.032 178.219 176.117 0.116 0.000 1.102 412 I CA 0.722 62.182 61.300 0.267 0.000 1.385 412 I CB -0.268 37.956 38.000 0.373 0.000 1.064 412 I HN 0.011 nan 8.210 nan 0.000 0.414 413 N N 0.634 119.381 118.700 0.078 0.000 2.166 413 N HA -0.126 4.614 4.740 0.000 0.000 0.186 413 N C 1.940 177.443 175.510 -0.012 0.000 1.019 413 N CA 1.138 54.194 53.050 0.011 0.000 0.856 413 N CB -0.295 38.203 38.487 0.017 0.000 0.993 413 N HN 0.147 nan 8.380 nan 0.000 0.426 414 V N 1.487 121.388 119.914 -0.022 0.000 2.407 414 V HA -0.180 3.940 4.120 0.000 0.000 0.248 414 V C 2.393 178.365 176.094 -0.203 0.000 1.055 414 V CA 1.703 63.936 62.300 -0.111 0.000 1.049 414 V CB -0.870 30.856 31.823 -0.160 0.000 0.662 414 V HN 0.278 nan 8.190 nan 0.000 0.455 415 A N -0.164 122.489 122.820 -0.278 0.000 1.877 415 A HA -0.165 4.155 4.320 0.000 0.000 0.216 415 A C 2.406 179.932 177.584 -0.096 0.000 1.186 415 A CA 2.137 53.949 52.037 -0.374 0.000 0.620 415 A CB -0.727 17.731 19.000 -0.903 0.000 0.822 415 A HN 0.320 nan 8.150 nan 0.000 0.443 416 V N 0.204 120.108 119.914 -0.017 0.000 2.255 416 V HA -0.290 3.830 4.120 0.000 0.000 0.247 416 V C 2.611 178.743 176.094 0.064 0.000 1.051 416 V CA 2.150 64.487 62.300 0.060 0.000 1.018 416 V CB -0.856 30.928 31.823 -0.066 0.000 0.641 416 V HN 0.575 nan 8.190 nan 0.000 0.445 417 L N -0.612 120.603 121.223 -0.014 0.000 2.017 417 L HA -0.224 4.116 4.340 0.000 0.000 0.208 417 L C 2.639 179.540 176.870 0.051 0.000 1.073 417 L CA 2.152 56.990 54.840 -0.003 0.000 0.745 417 L CB -0.991 41.061 42.059 -0.011 0.000 0.894 417 L HN 0.507 nan 8.230 nan 0.000 0.432 418 H N -0.098 118.930 119.070 -0.071 0.000 2.319 418 H HA -0.154 4.402 4.556 0.000 0.000 0.299 418 H C 2.279 177.588 175.328 -0.032 0.000 1.092 418 H CA 1.877 57.870 56.048 -0.091 0.000 1.302 418 H CB 0.351 29.990 29.762 -0.205 0.000 1.373 418 H HN 0.259 nan 8.280 nan 0.000 0.497 419 S N 0.202 115.821 115.700 -0.135 0.000 2.356 419 S HA -0.115 4.355 4.470 0.000 0.000 0.223 419 S C 1.972 176.524 174.600 -0.081 0.000 1.032 419 S CA 1.199 59.311 58.200 -0.147 0.000 1.005 419 S CB -0.501 62.707 63.200 0.013 0.000 0.867 419 S HN 0.292 nan 8.310 nan 0.000 0.449 420 F N 2.044 121.924 119.950 -0.117 0.000 2.134 420 F HA -0.128 4.399 4.527 0.000 0.000 0.299 420 F C 2.669 178.408 175.800 -0.101 0.000 1.097 420 F CA 1.259 59.212 58.000 -0.079 0.000 1.264 420 F CB -0.619 38.351 39.000 -0.049 0.000 1.001 420 F HN 0.216 nan 8.300 nan 0.000 0.479 421 Q N -0.130 119.710 119.800 0.067 0.000 2.050 421 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 421 Q C 2.242 178.191 176.000 -0.086 0.000 0.980 421 Q CA 1.794 57.587 55.803 -0.017 0.000 0.840 421 Q CB -0.320 28.401 28.738 -0.027 0.000 0.898 421 Q HN 0.332 nan 8.270 nan 0.000 0.424 422 K N 0.857 121.147 120.400 -0.185 0.000 2.097 422 K HA -0.191 4.129 4.320 0.000 0.000 0.206 422 K C 1.433 177.951 176.600 -0.138 0.000 1.049 422 K CA 1.342 57.508 56.287 -0.202 0.000 0.933 422 K CB 0.139 32.420 32.500 -0.365 0.000 0.717 422 K HN 0.175 nan 8.250 nan 0.000 0.442 423 Q N 0.507 120.223 119.800 -0.141 0.000 2.322 423 Q HA 0.095 4.435 4.340 0.000 0.000 0.203 423 Q C -0.678 175.264 176.000 -0.097 0.000 0.923 423 Q CA -0.187 55.541 55.803 -0.125 0.000 0.949 423 Q CB 0.378 29.016 28.738 -0.167 0.000 1.039 423 Q HN 0.297 nan 8.270 nan 0.000 0.496 424 N N -0.141 118.516 118.700 -0.072 0.000 2.727 424 N HA -0.153 4.587 4.740 0.000 0.000 0.249 424 N C -1.305 174.185 175.510 -0.034 0.000 1.048 424 N CA 0.611 53.632 53.050 -0.049 0.000 0.714 424 N CB -1.350 37.108 38.487 -0.048 0.000 0.959 424 N HN 0.036 nan 8.380 nan 0.000 0.544 425 V N 0.853 120.762 119.914 -0.008 0.000 2.417 425 V HA 0.231 4.351 4.120 0.000 0.000 0.291 425 V C 0.851 177.063 176.094 0.196 0.000 1.024 425 V CA -0.656 61.679 62.300 0.058 0.000 0.861 425 V CB 1.994 33.775 31.823 -0.071 0.000 0.985 425 V HN 0.174 nan 8.190 nan 0.000 0.436 426 T N 6.550 121.165 114.554 0.102 0.000 2.905 426 T HA 0.365 4.716 4.350 0.000 0.000 0.299 426 T C -0.233 174.516 174.700 0.081 0.000 1.024 426 T CA 0.986 63.066 62.100 -0.033 0.000 1.151 426 T CB 0.005 68.733 68.868 -0.234 0.000 0.987 426 T HN 0.584 nan 8.240 nan 0.000 0.535 427 I N 2.459 122.988 120.570 -0.069 0.000 2.882 427 I HA 0.551 4.721 4.170 0.000 0.000 0.298 427 I C -1.663 174.418 176.117 -0.061 0.000 1.462 427 I CA -1.032 60.227 61.300 -0.068 0.000 1.000 427 I CB 2.045 39.875 38.000 -0.284 0.000 1.340 427 I HN 0.641 nan 8.210 nan 0.000 0.462 428 M N 6.286 125.913 119.600 0.046 0.000 2.327 428 M HA 0.375 4.855 4.480 0.000 0.000 0.298 428 M C -1.386 174.958 176.300 0.073 0.000 1.065 428 M CA -0.638 54.712 55.300 0.084 0.000 0.916 428 M CB 1.616 34.350 32.600 0.224 0.000 1.630 428 M HN 0.608 nan 8.290 nan 0.000 0.442 429 D N 3.500 123.939 120.400 0.066 0.000 2.360 429 D HA -0.003 4.637 4.640 0.000 0.000 0.242 429 D C 0.619 176.986 176.300 0.112 0.000 1.184 429 D CA -0.110 53.953 54.000 0.105 0.000 0.930 429 D CB 0.543 41.398 40.800 0.092 0.000 1.161 429 D HN 0.847 nan 8.370 nan 0.000 0.447 430 H N 0.324 119.347 119.070 -0.079 0.000 2.457 430 H HA -0.125 4.431 4.556 0.000 0.000 0.294 430 H C 1.361 176.592 175.328 -0.162 0.000 1.064 430 H CA 1.176 57.135 56.048 -0.149 0.000 1.330 430 H CB -0.694 28.923 29.762 -0.241 0.000 1.395 430 H HN 0.532 nan 8.280 nan 0.000 0.541 431 H N 0.890 119.757 119.070 -0.339 0.000 2.299 431 H HA -0.032 4.524 4.556 0.000 0.000 0.302 431 H C 1.940 177.236 175.328 -0.054 0.000 1.078 431 H CA 1.920 57.843 56.048 -0.208 0.000 1.323 431 H CB -0.258 29.355 29.762 -0.248 0.000 1.381 431 H HN 0.381 nan 8.280 nan 0.000 0.498 432 T N 1.254 115.862 114.554 0.091 0.000 2.746 432 T HA -0.098 4.252 4.350 0.000 0.000 0.267 432 T C 2.342 177.107 174.700 0.108 0.000 1.039 432 T CA 1.172 63.325 62.100 0.088 0.000 1.142 432 T CB -0.392 68.522 68.868 0.075 0.000 0.866 432 T HN 0.429 nan 8.240 nan 0.000 0.444 433 A N 1.023 123.910 122.820 0.111 0.000 1.902 433 A HA -0.089 4.231 4.320 0.000 0.000 0.217 433 A C 2.587 180.263 177.584 0.153 0.000 1.181 433 A CA 2.046 54.167 52.037 0.141 0.000 0.623 433 A CB -1.114 17.963 19.000 0.129 0.000 0.818 433 A HN 0.435 nan 8.150 nan 0.000 0.443 434 S N -0.562 115.207 115.700 0.115 0.000 2.370 434 S HA -0.204 4.266 4.470 0.000 0.000 0.226 434 S C 1.930 176.642 174.600 0.186 0.000 1.033 434 S CA 1.740 60.023 58.200 0.138 0.000 1.011 434 S CB -0.377 62.868 63.200 0.076 0.000 0.852 434 S HN 0.660 nan 8.310 nan 0.000 0.457 435 E N 0.319 120.605 120.200 0.143 0.000 2.106 435 E HA -0.102 4.249 4.350 0.000 0.000 0.192 435 E C 2.274 178.951 176.600 0.129 0.000 0.984 435 E CA 1.137 57.613 56.400 0.126 0.000 0.806 435 E CB -0.289 29.468 29.700 0.095 0.000 0.750 435 E HN 0.536 nan 8.360 nan 0.000 0.458 436 S N 0.509 116.297 115.700 0.145 0.000 2.368 436 S HA -0.196 4.274 4.470 0.000 0.000 0.225 436 S C 1.808 176.509 174.600 0.168 0.000 1.030 436 S CA 1.020 59.308 58.200 0.146 0.000 0.999 436 S CB -0.305 62.992 63.200 0.162 0.000 0.844 436 S HN 0.336 nan 8.310 nan 0.000 0.459 437 F N 1.780 121.789 119.950 0.098 0.000 2.186 437 F HA 0.008 4.535 4.527 0.000 0.000 0.299 437 F C 2.137 178.024 175.800 0.145 0.000 1.090 437 F CA 1.491 59.564 58.000 0.123 0.000 1.307 437 F CB -0.332 38.720 39.000 0.088 0.000 1.019 437 F HN 0.186 nan 8.300 nan 0.000 0.489 438 M N 0.345 119.990 119.600 0.074 0.000 2.108 438 M HA -0.203 4.277 4.480 0.000 0.000 0.261 438 M C 2.223 178.472 176.300 -0.084 0.000 1.066 438 M CA 1.662 56.959 55.300 -0.005 0.000 1.107 438 M CB -1.272 31.386 32.600 0.097 0.000 1.356 438 M HN 0.109 nan 8.290 nan 0.000 0.406 439 K N -0.379 120.006 120.400 -0.025 0.000 2.057 439 K HA -0.206 4.114 4.320 0.000 0.000 0.207 439 K C 1.990 178.556 176.600 -0.058 0.000 1.049 439 K CA 1.835 58.110 56.287 -0.020 0.000 0.931 439 K CB -0.621 31.895 32.500 0.026 0.000 0.714 439 K HN 0.402 nan 8.250 nan 0.000 0.440 440 H N -0.148 118.814 119.070 -0.181 0.000 2.321 440 H HA -0.070 4.486 4.556 0.000 0.000 0.300 440 H C 2.027 177.185 175.328 -0.284 0.000 1.087 440 H CA 2.500 58.420 56.048 -0.214 0.000 1.319 440 H CB -0.209 29.402 29.762 -0.252 0.000 1.379 440 H HN 0.288 nan 8.280 nan 0.000 0.501 441 M N -0.118 119.134 119.600 -0.581 0.000 2.080 441 M HA -0.245 4.235 4.480 0.000 0.000 0.260 441 M C 2.511 178.724 176.300 -0.145 0.000 1.068 441 M CA 2.189 57.229 55.300 -0.435 0.000 1.109 441 M CB -0.206 32.158 32.600 -0.393 0.000 1.342 441 M HN 0.536 nan 8.290 nan 0.000 0.405 442 Q N 0.171 119.888 119.800 -0.139 0.000 2.096 442 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 442 Q C 1.519 177.483 176.000 -0.060 0.000 0.982 442 Q CA 1.994 57.756 55.803 -0.067 0.000 0.850 442 Q CB -0.151 28.546 28.738 -0.068 0.000 0.901 442 Q HN 0.600 nan 8.270 nan 0.000 0.422 443 N N 0.528 119.154 118.700 -0.124 0.000 2.120 443 N HA -0.149 4.591 4.740 0.000 0.000 0.188 443 N C 1.607 177.024 175.510 -0.155 0.000 1.024 443 N CA 1.216 54.199 53.050 -0.112 0.000 0.852 443 N CB -0.255 38.178 38.487 -0.089 0.000 1.003 443 N HN 0.304 nan 8.380 nan 0.000 0.424 444 E N 0.088 120.107 120.200 -0.301 0.000 2.110 444 E HA -0.126 4.224 4.350 0.000 0.000 0.193 444 E C 1.853 178.310 176.600 -0.238 0.000 0.988 444 E CA 0.743 56.941 56.400 -0.338 0.000 0.804 444 E CB -0.403 28.985 29.700 -0.521 0.000 0.745 444 E HN 0.500 nan 8.360 nan 0.000 0.458 445 Y N 0.972 121.175 120.300 -0.162 0.000 2.274 445 Y HA -0.112 4.438 4.550 0.000 0.000 0.290 445 Y C 2.559 178.410 175.900 -0.082 0.000 1.145 445 Y CA 1.247 59.291 58.100 -0.093 0.000 1.203 445 Y CB 0.017 38.430 38.460 -0.080 0.000 0.984 445 Y HN -0.033 nan 8.280 nan 0.000 0.533 446 R N -0.814 119.705 120.500 0.032 0.000 2.075 446 R HA -0.056 4.284 4.340 0.000 0.000 0.226 446 R C 2.486 178.768 176.300 -0.029 0.000 1.114 446 R CA 0.979 57.077 56.100 -0.003 0.000 0.972 446 R CB -0.503 29.789 30.300 -0.013 0.000 0.869 446 R HN 0.281 nan 8.270 nan 0.000 0.437 447 A N 1.804 124.592 122.820 -0.054 0.000 1.873 447 A HA -0.164 4.156 4.320 0.000 0.000 0.215 447 A C 1.741 179.282 177.584 -0.072 0.000 1.186 447 A CA 1.523 53.526 52.037 -0.056 0.000 0.616 447 A CB -0.135 18.827 19.000 -0.062 0.000 0.823 447 A HN 0.411 nan 8.150 nan 0.000 0.442 448 R N -2.700 117.730 120.500 -0.117 0.000 2.569 448 R HA 0.406 4.746 4.340 0.000 0.000 0.422 448 R C 0.705 176.926 176.300 -0.131 0.000 0.980 448 R CA 0.395 56.427 56.100 -0.113 0.000 1.164 448 R CB -0.643 29.581 30.300 -0.127 0.000 1.520 448 R HN 0.874 nan 8.270 nan 0.000 0.567 449 G N 0.037 108.751 108.800 -0.143 0.000 2.246 449 G HA2 -0.071 3.889 3.960 0.000 0.000 0.273 449 G HA3 -0.071 3.889 3.960 0.000 0.000 0.273 449 G C 0.235 174.917 174.900 -0.363 0.000 1.055 449 G CA 0.193 45.212 45.100 -0.135 0.000 0.851 449 G HN 0.970 nan 8.290 nan 0.000 0.500 450 G N -2.601 105.702 108.800 -0.829 0.000 2.328 450 G HA2 0.560 4.520 3.960 0.000 0.000 0.299 450 G HA3 0.560 4.520 3.960 0.000 0.000 0.299 450 G C -0.875 173.571 174.900 -0.757 0.000 1.435 450 G CA 0.258 44.713 45.100 -1.074 0.000 0.865 450 G HN 1.878 nan 8.290 nan 0.000 0.601 451 C N 2.353 121.407 119.300 -0.410 0.000 3.044 451 C HA 0.618 5.078 4.460 0.000 0.000 0.382 451 C C -2.541 172.382 174.990 -0.112 0.000 1.071 451 C CA -1.135 57.778 59.018 -0.176 0.000 1.296 451 C CB 0.868 28.557 27.740 -0.085 0.000 1.730 451 C HN 0.700 nan 8.230 nan 0.000 0.513 452 P HA 0.360 nan 4.420 nan 0.000 0.263 452 P C -0.553 176.641 177.300 -0.178 0.000 1.195 452 P CA 0.754 63.463 63.100 -0.652 0.000 0.762 452 P CB 0.924 32.177 31.700 -0.745 0.000 0.799 453 A N 2.656 125.426 122.820 -0.084 0.000 2.459 453 A HA 0.395 4.715 4.320 0.000 0.000 0.296 453 A C -1.098 176.516 177.584 0.050 0.000 1.039 453 A CA -0.553 51.514 52.037 0.051 0.000 0.698 453 A CB 1.289 20.433 19.000 0.240 0.000 1.261 453 A HN 0.436 nan 8.150 nan 0.000 0.405 454 D N 2.100 122.514 120.400 0.023 0.000 2.467 454 D HA 0.154 4.794 4.640 0.000 0.000 0.220 454 D C 0.834 177.240 176.300 0.176 0.000 1.103 454 D CA -0.511 53.542 54.000 0.088 0.000 0.886 454 D CB 0.301 41.101 40.800 -0.002 0.000 1.025 454 D HN 0.598 nan 8.370 nan 0.000 0.514 455 W N 4.368 125.685 121.300 0.028 0.000 2.304 455 W HA -0.249 4.411 4.660 0.000 0.000 0.315 455 W C 1.753 178.296 176.519 0.041 0.000 1.233 455 W CA 1.344 58.696 57.345 0.012 0.000 1.261 455 W CB -0.094 29.355 29.460 -0.019 0.000 1.150 455 W HN 0.476 nan 8.180 nan 0.000 0.494 456 I N -1.149 119.714 120.570 0.489 0.000 2.423 456 I HA -0.300 3.870 4.170 0.000 0.000 0.254 456 I C 1.648 177.896 176.117 0.218 0.000 1.151 456 I CA 1.381 62.916 61.300 0.391 0.000 1.421 456 I CB -0.617 37.621 38.000 0.395 0.000 1.079 456 I HN 0.118 nan 8.210 nan 0.000 0.431 457 W N -0.030 121.252 121.300 -0.030 0.000 2.762 457 W HA 0.176 4.836 4.660 0.000 0.000 0.265 457 W C 2.184 178.597 176.519 -0.176 0.000 1.263 457 W CA 0.071 57.369 57.345 -0.078 0.000 1.411 457 W CB -0.291 29.143 29.460 -0.043 0.000 1.065 457 W HN -0.074 nan 8.180 nan 0.000 0.609 458 L N -0.188 121.007 121.223 -0.047 0.000 2.179 458 L HA -0.007 4.333 4.340 0.000 0.000 0.208 458 L C 0.645 177.322 176.870 -0.320 0.000 1.096 458 L CA 0.415 55.101 54.840 -0.257 0.000 0.779 458 L CB -0.933 40.868 42.059 -0.431 0.000 0.922 458 L HN -0.400 nan 8.230 nan 0.000 0.443 459 V N 1.482 121.127 119.914 -0.450 0.000 2.470 459 V HA 0.118 4.238 4.120 0.000 0.000 0.276 459 V C -1.826 174.104 176.094 -0.273 0.000 1.040 459 V CA -1.286 60.736 62.300 -0.464 0.000 1.008 459 V CB 0.382 31.708 31.823 -0.827 0.000 0.990 459 V HN 0.039 nan 8.190 nan 0.000 0.477 460 P HA 0.076 nan 4.420 nan 0.000 0.267 460 P C -1.736 175.458 177.300 -0.177 0.000 1.201 460 P CA -0.905 62.095 63.100 -0.166 0.000 0.775 460 P CB 0.058 31.698 31.700 -0.101 0.000 0.854 461 P HA -0.051 nan 4.420 nan 0.000 0.234 461 P C -0.069 177.138 177.300 -0.155 0.000 1.167 461 P CA 0.987 63.980 63.100 -0.179 0.000 0.763 461 P CB 0.114 31.695 31.700 -0.199 0.000 0.835 462 V N -5.553 114.254 119.914 -0.177 0.000 3.114 462 V HA 0.586 4.706 4.120 0.000 0.000 0.308 462 V C 0.233 176.301 176.094 -0.044 0.000 1.168 462 V CA -0.532 61.697 62.300 -0.118 0.000 1.015 462 V CB 1.352 33.090 31.823 -0.142 0.000 1.050 462 V HN 0.045 nan 8.190 nan 0.000 0.433 463 S N -0.058 115.645 115.700 0.004 0.000 3.549 463 S HA -0.199 4.271 4.470 0.000 0.000 0.366 463 S C 1.415 176.001 174.600 -0.024 0.000 1.012 463 S CA 1.266 59.487 58.200 0.035 0.000 1.141 463 S CB -2.272 61.026 63.200 0.163 0.000 0.910 463 S HN 2.524 nan 8.310 nan 0.000 0.471 464 G N 2.833 111.592 108.800 -0.068 0.000 2.721 464 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 464 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 464 G C 1.568 176.289 174.900 -0.298 0.000 1.265 464 G CA 1.901 46.950 45.100 -0.084 0.000 0.796 464 G HN 1.755 nan 8.290 nan 0.000 0.620 465 S N 0.166 115.382 115.700 -0.807 0.000 2.555 465 S HA 0.076 4.546 4.470 0.000 0.000 0.230 465 S C 2.062 176.567 174.600 -0.158 0.000 0.978 465 S CA 0.638 58.224 58.200 -1.024 0.000 0.934 465 S CB -0.083 62.396 63.200 -1.202 0.000 0.766 465 S HN 0.217 nan 8.310 nan 0.000 0.533 466 I N 2.856 123.385 120.570 -0.067 0.000 2.761 466 I HA 0.023 4.193 4.170 0.000 0.000 0.261 466 I C 1.430 177.637 176.117 0.150 0.000 1.198 466 I CA 0.720 62.066 61.300 0.076 0.000 1.482 466 I CB -1.948 36.123 38.000 0.119 0.000 1.100 466 I HN 0.502 nan 8.210 nan 0.000 0.445 467 T N -0.775 113.849 114.554 0.115 0.000 2.909 467 T HA 0.311 4.661 4.350 0.000 0.000 0.286 467 T C -1.373 173.468 174.700 0.235 0.000 1.002 467 T CA -1.707 60.478 62.100 0.141 0.000 1.074 467 T CB 2.183 71.080 68.868 0.048 0.000 0.984 467 T HN -0.066 nan 8.240 nan 0.000 0.495 468 P HA -0.036 nan 4.420 nan 0.000 0.219 468 P C 1.705 179.202 177.300 0.328 0.000 1.150 468 P CA 0.381 63.678 63.100 0.327 0.000 0.814 468 P CB -0.090 31.741 31.700 0.217 0.000 0.787 469 V N -0.142 119.903 119.914 0.219 0.000 2.469 469 V HA -0.236 3.884 4.120 0.000 0.000 0.251 469 V C 2.394 178.548 176.094 0.100 0.000 1.064 469 V CA 1.761 64.154 62.300 0.154 0.000 1.066 469 V CB -1.518 30.318 31.823 0.023 0.000 0.667 469 V HN -0.022 nan 8.190 nan 0.000 0.461 470 F N 1.234 121.119 119.950 -0.109 0.000 2.161 470 F HA -0.223 4.304 4.527 0.000 0.000 0.300 470 F C 2.138 178.038 175.800 0.167 0.000 1.089 470 F CA 2.185 60.124 58.000 -0.102 0.000 1.282 470 F CB -0.321 38.509 39.000 -0.284 0.000 1.010 470 F HN 0.367 nan 8.300 nan 0.000 0.485 471 H N -1.611 117.808 119.070 0.581 0.000 2.539 471 H HA 0.137 4.693 4.556 0.000 0.000 0.267 471 H C 0.281 175.850 175.328 0.402 0.000 0.982 471 H CA 0.145 56.481 56.048 0.481 0.000 1.146 471 H CB -0.131 29.886 29.762 0.425 0.000 1.382 471 H HN 0.138 nan 8.280 nan 0.000 0.577 472 Q N 1.918 121.989 119.800 0.451 0.000 2.303 472 Q HA 0.139 4.479 4.340 0.000 0.000 0.257 472 Q C -0.684 175.540 176.000 0.374 0.000 0.941 472 Q CA -0.398 55.626 55.803 0.368 0.000 0.931 472 Q CB 0.617 29.541 28.738 0.309 0.000 1.215 472 Q HN 0.340 nan 8.270 nan 0.000 0.437 473 E N 3.566 123.942 120.200 0.294 0.000 2.373 473 E HA 0.258 4.608 4.350 0.000 0.000 0.267 473 E C -0.540 176.191 176.600 0.218 0.000 1.032 473 E CA 0.273 56.803 56.400 0.218 0.000 0.889 473 E CB 0.782 30.608 29.700 0.210 0.000 0.984 473 E HN 0.602 nan 8.360 nan 0.000 0.425 474 M N 2.271 121.998 119.600 0.212 0.000 2.550 474 M HA 0.351 4.831 4.480 0.000 0.000 0.292 474 M C -1.399 175.013 176.300 0.187 0.000 1.221 474 M CA -1.072 54.371 55.300 0.238 0.000 0.873 474 M CB 1.623 34.404 32.600 0.302 0.000 1.727 474 M HN 0.182 nan 8.290 nan 0.000 0.459 475 L N 2.355 123.708 121.223 0.216 0.000 2.313 475 L HA 0.479 4.819 4.340 0.000 0.000 0.283 475 L C -0.610 176.351 176.870 0.152 0.000 1.013 475 L CA -0.201 54.774 54.840 0.226 0.000 0.816 475 L CB 1.267 43.533 42.059 0.344 0.000 1.236 475 L HN 0.558 nan 8.230 nan 0.000 0.419 476 N N 3.790 122.568 118.700 0.129 0.000 2.457 476 N HA 0.471 5.211 4.740 0.000 0.000 0.250 476 N C -1.531 174.036 175.510 0.096 0.000 0.982 476 N CA -0.177 52.882 53.050 0.014 0.000 0.941 476 N CB 0.431 38.941 38.487 0.039 0.000 1.120 476 N HN 0.399 nan 8.380 nan 0.000 0.505 477 Y N -0.030 120.279 120.300 0.015 0.000 2.597 477 Y HA 0.628 5.178 4.550 0.000 0.000 0.340 477 Y C -1.080 174.771 175.900 -0.083 0.000 1.097 477 Y CA -1.365 56.720 58.100 -0.026 0.000 1.037 477 Y CB 0.657 39.120 38.460 0.005 0.000 1.305 477 Y HN -0.029 nan 8.280 nan 0.000 0.463 478 V N 4.246 124.143 119.914 -0.027 0.000 2.364 478 V HA 0.363 4.483 4.120 0.000 0.000 0.272 478 V C 0.158 176.130 176.094 -0.204 0.000 1.036 478 V CA -0.405 61.662 62.300 -0.388 0.000 0.880 478 V CB 0.449 31.849 31.823 -0.704 0.000 0.991 478 V HN 0.750 nan 8.190 nan 0.000 0.460 479 L N 2.950 124.101 121.223 -0.119 0.000 2.805 479 L HA 0.735 5.075 4.340 0.000 0.000 0.242 479 L C 0.340 177.194 176.870 -0.026 0.000 1.180 479 L CA -0.456 54.384 54.840 0.000 0.000 1.001 479 L CB 1.483 43.588 42.059 0.077 0.000 1.864 479 L HN 0.624 nan 8.230 nan 0.000 0.551 480 S N -0.701 115.015 115.700 0.026 0.000 2.566 480 S HA 0.520 4.990 4.470 0.000 0.000 0.273 480 S C -2.701 171.930 174.600 0.051 0.000 1.157 480 S CA -1.063 57.160 58.200 0.039 0.000 0.938 480 S CB 1.769 64.978 63.200 0.015 0.000 1.087 480 S HN 0.145 nan 8.310 nan 0.000 0.474 481 P HA 0.438 nan 4.420 nan 0.000 0.271 481 P C -1.295 175.971 177.300 -0.057 0.000 1.233 481 P CA -0.077 62.980 63.100 -0.071 0.000 0.789 481 P CB 0.226 31.812 31.700 -0.190 0.000 0.951 482 F N 0.409 120.163 119.950 -0.327 0.000 2.678 482 F HA 0.417 4.944 4.527 0.000 0.000 0.308 482 F C -1.649 173.858 175.800 -0.487 0.000 1.118 482 F CA -0.774 56.951 58.000 -0.459 0.000 0.959 482 F CB 1.162 39.849 39.000 -0.521 0.000 1.305 482 F HN 0.154 nan 8.300 nan 0.000 0.443 483 Y N 4.584 124.341 120.300 -0.906 0.000 2.434 483 Y HA 0.427 4.977 4.550 0.000 0.000 0.341 483 Y C -0.876 174.657 175.900 -0.611 0.000 0.965 483 Y CA -0.716 57.062 58.100 -0.537 0.000 1.205 483 Y CB 0.256 38.410 38.460 -0.510 0.000 1.121 483 Y HN 0.386 nan 8.280 nan 0.000 0.507 484 Y N 1.255 121.600 120.300 0.075 0.000 2.488 484 Y HA 0.380 4.930 4.550 0.000 0.000 0.325 484 Y C -0.177 175.755 175.900 0.053 0.000 1.204 484 Y CA -0.935 57.222 58.100 0.095 0.000 1.229 484 Y CB 0.797 39.371 38.460 0.189 0.000 1.274 484 Y HN 0.395 nan 8.280 nan 0.000 0.493 485 Y N 0.477 120.944 120.300 0.278 0.000 2.289 485 Y HA 0.376 4.926 4.550 0.000 0.000 0.332 485 Y C -0.001 175.965 175.900 0.109 0.000 1.324 485 Y CA -1.210 56.970 58.100 0.133 0.000 1.478 485 Y CB 0.590 39.101 38.460 0.086 0.000 1.378 485 Y HN 0.437 nan 8.280 nan 0.000 0.558 486 Q N 0.288 120.210 119.800 0.203 0.000 2.495 486 Q HA 0.440 4.780 4.340 0.000 0.000 0.287 486 Q C -1.329 174.635 176.000 -0.059 0.000 1.078 486 Q CA -1.164 54.671 55.803 0.053 0.000 0.793 486 Q CB 2.699 31.443 28.738 0.010 0.000 1.459 486 Q HN 0.342 nan 8.270 nan 0.000 0.422 487 I N 1.998 122.500 120.570 -0.113 0.000 2.634 487 I HA 0.003 4.173 4.170 0.000 0.000 0.284 487 I C 0.625 176.520 176.117 -0.371 0.000 1.124 487 I CA 0.144 61.325 61.300 -0.199 0.000 1.417 487 I CB 0.270 38.170 38.000 -0.168 0.000 1.396 487 I HN 0.517 nan 8.210 nan 0.000 0.571 488 E N 8.487 128.358 120.200 -0.548 0.000 2.585 488 E HA -0.047 4.303 4.350 0.000 0.000 0.252 488 E C -1.327 174.618 176.600 -1.091 0.000 0.981 488 E CA -1.184 54.580 56.400 -1.061 0.000 0.943 488 E CB 0.286 29.061 29.700 -1.543 0.000 0.923 488 E HN 0.371 nan 8.360 nan 0.000 0.486 489 P HA -0.200 nan 4.420 nan 0.000 0.216 489 P C 1.214 177.970 177.300 -0.906 0.000 1.154 489 P CA 1.645 64.151 63.100 -0.990 0.000 0.865 489 P CB -0.246 30.582 31.700 -1.453 0.000 0.789 490 W N 0.910 121.686 121.300 -0.873 0.000 2.611 490 W HA 0.102 4.762 4.660 0.000 0.000 0.251 490 W C 1.646 178.148 176.519 -0.029 0.000 1.265 490 W CA 0.498 57.633 57.345 -0.350 0.000 1.295 490 W CB -1.364 28.066 29.460 -0.050 0.000 1.129 490 W HN -0.076 nan 8.180 nan 0.000 0.630 491 K N 0.224 120.489 120.400 -0.224 0.000 2.323 491 K HA 0.052 4.372 4.320 0.000 0.000 0.197 491 K C 1.706 178.280 176.600 -0.042 0.000 1.043 491 K CA 1.489 57.731 56.287 -0.075 0.000 0.997 491 K CB -0.003 32.380 32.500 -0.194 0.000 0.807 491 K HN 0.297 nan 8.250 nan 0.000 0.497 492 T N -3.130 111.367 114.554 -0.095 0.000 3.040 492 T HA 0.050 4.400 4.350 0.000 0.000 0.266 492 T C 0.143 174.833 174.700 -0.017 0.000 1.005 492 T CA -0.392 61.673 62.100 -0.057 0.000 0.906 492 T CB -0.189 68.620 68.868 -0.099 0.000 1.082 492 T HN 0.051 nan 8.240 nan 0.000 0.531 493 H N 1.580 120.594 119.070 -0.092 0.000 2.848 493 H HA 0.466 5.022 4.556 0.000 0.000 0.317 493 H C -0.327 174.944 175.328 -0.094 0.000 1.046 493 H CA -0.828 55.148 56.048 -0.119 0.000 1.470 493 H CB 0.157 29.834 29.762 -0.142 0.000 1.483 493 H HN 0.300 nan 8.280 nan 0.000 0.548 494 I N 6.505 126.666 120.570 -0.683 0.000 2.287 494 I HA 0.042 4.212 4.170 0.000 0.000 0.290 494 I C -0.272 175.463 176.117 -0.637 0.000 1.069 494 I CA -0.494 60.555 61.300 -0.418 0.000 1.237 494 I CB 0.169 38.029 38.000 -0.235 0.000 1.418 494 I HN 0.542 nan 8.210 nan 0.000 0.481 495 W N 5.622 126.758 121.300 -0.273 0.000 2.193 495 W HA 0.090 4.750 4.660 0.000 0.000 0.338 495 W C 1.327 177.816 176.519 -0.050 0.000 1.310 495 W CA -0.079 57.225 57.345 -0.067 0.000 1.243 495 W CB 0.334 29.846 29.460 0.086 0.000 1.165 495 W HN 0.502 nan 8.180 nan 0.000 0.566 496 Q N 1.731 121.677 119.800 0.243 0.000 2.392 496 Q HA 0.123 4.463 4.340 0.000 0.000 0.203 496 Q C 0.798 176.888 176.000 0.150 0.000 0.917 496 Q CA 0.622 56.507 55.803 0.136 0.000 0.939 496 Q CB 0.082 28.873 28.738 0.089 0.000 1.063 496 Q HN 0.651 nan 8.270 nan 0.000 0.516 497 N N 0.000 118.833 118.700 0.222 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.125 53.050 0.125 0.000 0.885 497 N CB 0.000 38.543 38.487 0.094 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667