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 1dwx_1_B 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 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 0.000 176.198 176.000 0.330 0.000 1.003 77 Q CA 0.000 55.860 55.803 0.095 0.000 1.022 77 Q CB 0.000 28.637 28.738 -0.168 0.000 1.108 78 Y N -2.128 118.336 120.300 0.274 0.000 2.852 78 Y HA 0.720 5.270 4.550 0.000 0.000 0.350 78 Y C -1.646 174.330 175.900 0.127 0.000 1.272 78 Y CA -1.241 57.028 58.100 0.281 0.000 1.086 78 Y CB 0.542 39.128 38.460 0.210 0.000 1.408 78 Y HN 0.041 nan 8.280 nan 0.000 0.447 79 V N 2.091 122.269 119.914 0.440 0.000 2.531 79 V HA 0.558 4.678 4.120 0.000 0.000 0.301 79 V C -0.329 175.911 176.094 0.245 0.000 1.034 79 V CA -0.911 61.501 62.300 0.187 0.000 0.865 79 V CB 1.587 33.306 31.823 -0.174 0.000 0.995 79 V HN 0.762 nan 8.190 nan 0.000 0.424 80 R N 3.998 124.642 120.500 0.242 0.000 2.267 80 R HA 0.589 4.929 4.340 0.000 0.000 0.319 80 R C -1.019 175.275 176.300 -0.009 0.000 1.067 80 R CA -0.149 56.022 56.100 0.118 0.000 0.936 80 R CB 0.491 30.897 30.300 0.176 0.000 1.006 80 R HN 0.678 nan 8.270 nan 0.000 0.452 81 I N 4.065 124.573 120.570 -0.105 0.000 2.433 81 I HA 0.303 4.473 4.170 0.000 0.000 0.292 81 I C -0.342 175.673 176.117 -0.170 0.000 1.001 81 I CA -0.720 60.522 61.300 -0.095 0.000 1.119 81 I CB 1.980 39.931 38.000 -0.081 0.000 1.289 81 I HN 0.487 nan 8.210 nan 0.000 0.438 82 K N 5.470 125.756 120.400 -0.190 0.000 2.259 82 K HA 0.347 4.667 4.320 0.000 0.000 0.249 82 K C -0.864 175.495 176.600 -0.402 0.000 0.942 82 K CA -0.710 55.344 56.287 -0.387 0.000 0.816 82 K CB 1.589 33.686 32.500 -0.672 0.000 1.155 82 K HN 0.494 nan 8.250 nan 0.000 0.428 83 N N 3.818 122.289 118.700 -0.382 0.000 2.469 83 N HA 0.096 4.836 4.740 0.000 0.000 0.253 83 N C -0.258 175.083 175.510 -0.282 0.000 0.970 83 N CA -0.360 52.561 53.050 -0.215 0.000 0.940 83 N CB 0.468 38.892 38.487 -0.105 0.000 1.128 83 N HN 0.639 nan 8.380 nan 0.000 0.503 84 W N 2.401 123.705 121.300 0.007 0.000 2.848 84 W HA 0.157 4.817 4.660 0.000 0.000 0.241 84 W C 1.907 178.433 176.519 0.011 0.000 1.289 84 W CA 0.055 57.406 57.345 0.011 0.000 1.396 84 W CB 0.251 29.718 29.460 0.012 0.000 1.138 84 W HN 0.651 nan 8.180 nan 0.000 0.677 85 G N -1.380 107.497 108.800 0.129 0.000 2.559 85 G HA2 -0.079 3.881 3.960 0.000 0.000 0.209 85 G HA3 -0.079 3.881 3.960 0.000 0.000 0.209 85 G C 1.515 176.441 174.900 0.043 0.000 1.151 85 G CA 0.656 45.811 45.100 0.091 0.000 0.824 85 G HN 0.138 nan 8.290 nan 0.000 0.543 86 S N -0.291 115.410 115.700 0.002 0.000 2.470 86 S HA 0.311 4.781 4.470 0.000 0.000 0.222 86 S C 1.929 176.502 174.600 -0.045 0.000 1.024 86 S CA 0.934 59.124 58.200 -0.017 0.000 0.931 86 S CB 0.301 63.483 63.200 -0.030 0.000 0.791 86 S HN 1.181 nan 8.310 nan 0.000 0.513 87 G N 1.921 110.663 108.800 -0.097 0.000 2.179 87 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 87 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 87 G C -0.054 174.748 174.900 -0.162 0.000 0.977 87 G CA 0.371 45.385 45.100 -0.144 0.000 0.641 87 G HN 0.539 nan 8.290 nan 0.000 0.533 88 E N 0.261 120.378 120.200 -0.138 0.000 2.392 88 E HA 0.453 4.803 4.350 0.000 0.000 0.264 88 E C 0.309 176.795 176.600 -0.189 0.000 1.024 88 E CA -0.256 56.066 56.400 -0.130 0.000 0.903 88 E CB 0.229 29.873 29.700 -0.094 0.000 0.963 88 E HN 0.428 nan 8.360 nan 0.000 0.432 89 I N 4.918 125.372 120.570 -0.193 0.000 2.530 89 I HA 0.359 4.529 4.170 0.000 0.000 0.297 89 I C -0.418 175.491 176.117 -0.346 0.000 1.011 89 I CA -0.799 60.337 61.300 -0.274 0.000 1.107 89 I CB 1.354 39.194 38.000 -0.267 0.000 1.285 89 I HN 0.385 nan 8.210 nan 0.000 0.436 90 L N 4.680 125.655 121.223 -0.412 0.000 2.354 90 L HA 0.518 4.858 4.340 0.000 0.000 0.264 90 L C -1.244 175.277 176.870 -0.581 0.000 1.008 90 L CA -0.823 53.775 54.840 -0.404 0.000 0.819 90 L CB 2.223 44.163 42.059 -0.198 0.000 1.339 90 L HN 0.556 nan 8.230 nan 0.000 0.420 91 H N 0.036 118.970 119.070 -0.227 0.000 2.708 91 H HA 0.225 4.781 4.556 0.000 0.000 0.320 91 H C -1.059 174.150 175.328 -0.200 0.000 0.991 91 H CA -0.630 55.183 56.048 -0.391 0.000 1.243 91 H CB 1.558 30.774 29.762 -0.909 0.000 1.446 91 H HN 0.362 nan 8.280 nan 0.000 0.502 92 D N 2.349 122.760 120.400 0.019 0.000 2.316 92 D HA 0.017 4.657 4.640 0.000 0.000 0.245 92 D C 0.735 177.205 176.300 0.283 0.000 1.171 92 D CA 0.113 54.166 54.000 0.087 0.000 0.856 92 D CB 1.218 42.011 40.800 -0.011 0.000 1.090 92 D HN 0.769 nan 8.370 nan 0.000 0.476 93 T N 1.018 115.728 114.554 0.260 0.000 2.999 93 T HA -0.054 4.296 4.350 0.000 0.000 0.247 93 T C 1.976 176.776 174.700 0.166 0.000 1.012 93 T CA -0.239 62.029 62.100 0.279 0.000 1.048 93 T CB -0.042 68.950 68.868 0.206 0.000 1.020 93 T HN 0.244 nan 8.240 nan 0.000 0.478 94 L N 2.988 124.301 121.223 0.150 0.000 2.129 94 L HA -0.113 4.227 4.340 0.000 0.000 0.212 94 L C 2.404 179.305 176.870 0.050 0.000 1.087 94 L CA 2.266 57.160 54.840 0.089 0.000 0.757 94 L CB -0.877 41.231 42.059 0.081 0.000 0.896 94 L HN 0.702 nan 8.230 nan 0.000 0.434 95 H N -4.110 114.930 119.070 -0.049 0.000 2.518 95 H HA -0.170 4.386 4.556 0.000 0.000 0.292 95 H C 1.766 177.044 175.328 -0.083 0.000 1.068 95 H CA 1.597 57.595 56.048 -0.083 0.000 1.275 95 H CB -0.581 29.106 29.762 -0.126 0.000 1.375 95 H HN 0.447 nan 8.280 nan 0.000 0.563 96 H N 1.335 120.129 119.070 -0.460 0.000 2.457 96 H HA 0.027 4.583 4.556 0.000 0.000 0.294 96 H C 1.147 176.403 175.328 -0.120 0.000 1.064 96 H CA 1.103 56.961 56.048 -0.316 0.000 1.330 96 H CB 0.201 29.794 29.762 -0.282 0.000 1.395 96 H HN 0.550 nan 8.280 nan 0.000 0.541 97 K N 0.714 121.134 120.400 0.033 0.000 2.476 97 K HA 0.276 4.596 4.320 0.000 0.000 0.196 97 K C 0.661 177.278 176.600 0.028 0.000 1.025 97 K CA -0.174 56.133 56.287 0.033 0.000 1.138 97 K CB 0.657 33.177 32.500 0.033 0.000 0.860 97 K HN 0.046 nan 8.250 nan 0.000 0.515 98 A N 1.146 123.983 122.820 0.027 0.000 2.304 98 A HA 0.269 4.589 4.320 0.000 0.000 0.271 98 A C 0.485 178.087 177.584 0.030 0.000 1.091 98 A CA -0.318 51.738 52.037 0.033 0.000 0.812 98 A CB 0.446 19.473 19.000 0.045 0.000 1.056 98 A HN 0.107 nan 8.150 nan 0.000 0.489 110 L N 3.638 124.879 121.223 0.030 0.000 2.818 110 L HA 0.245 4.585 4.340 0.000 0.000 0.243 110 L C 2.086 178.995 176.870 0.065 0.000 1.185 110 L CA 1.228 56.092 54.840 0.039 0.000 0.988 110 L CB -0.982 41.098 42.059 0.036 0.000 1.292 110 L HN 1.055 nan 8.230 nan 0.000 0.519 111 G N -0.034 108.805 108.800 0.064 0.000 2.485 111 G HA2 -0.299 3.661 3.960 0.000 0.000 0.221 111 G HA3 -0.299 3.661 3.960 0.000 0.000 0.221 111 G C 1.681 176.656 174.900 0.124 0.000 1.115 111 G CA 1.229 46.381 45.100 0.086 0.000 0.751 111 G HN 0.417 nan 8.290 nan 0.000 0.567 112 S N -0.365 115.406 115.700 0.118 0.000 2.489 112 S HA 0.129 4.599 4.470 0.000 0.000 0.228 112 S C 1.111 175.821 174.600 0.183 0.000 0.995 112 S CA -0.410 57.880 58.200 0.150 0.000 0.934 112 S CB -0.241 63.029 63.200 0.116 0.000 0.771 112 S HN 0.079 nan 8.310 nan 0.000 0.522 113 I N 2.528 123.193 120.570 0.159 0.000 2.556 113 I HA 0.069 4.239 4.170 0.000 0.000 0.284 113 I C 1.366 177.608 176.117 0.209 0.000 1.114 113 I CA 0.355 61.767 61.300 0.186 0.000 1.418 113 I CB 0.501 38.582 38.000 0.135 0.000 1.394 113 I HN 0.400 nan 8.210 nan 0.000 0.552 114 M N 5.093 124.850 119.600 0.262 0.000 2.160 114 M HA -0.022 4.458 4.480 0.000 0.000 0.264 114 M C 0.450 176.780 176.300 0.050 0.000 1.073 114 M CA 1.465 56.871 55.300 0.175 0.000 1.142 114 M CB 0.200 32.796 32.600 -0.007 0.000 1.358 114 M HN 0.507 nan 8.290 nan 0.000 0.422 115 N N 1.387 120.126 118.700 0.065 0.000 2.990 115 N HA 0.317 5.057 4.740 0.000 0.000 0.288 115 N C -2.510 173.048 175.510 0.080 0.000 1.624 115 N CA -0.821 52.203 53.050 -0.043 0.000 0.961 115 N CB 0.433 38.855 38.487 -0.109 0.000 1.259 115 N HN 0.284 nan 8.380 nan 0.000 0.489 116 P HA 0.160 nan 4.420 nan 0.000 0.274 116 P C 0.559 177.934 177.300 0.124 0.000 1.231 116 P CA -0.250 62.918 63.100 0.113 0.000 0.790 116 P CB 1.872 33.636 31.700 0.106 0.000 0.951 117 K N 0.633 121.089 120.400 0.093 0.000 2.280 117 K HA -0.085 4.235 4.320 0.000 0.000 0.202 117 K C 1.928 178.589 176.600 0.102 0.000 1.047 117 K CA 1.673 58.012 56.287 0.087 0.000 0.942 117 K CB -0.266 32.267 32.500 0.055 0.000 0.739 117 K HN 0.552 nan 8.250 nan 0.000 0.457 118 S N 0.219 115.979 115.700 0.100 0.000 2.515 118 S HA -0.040 4.430 4.470 0.000 0.000 0.231 118 S C 1.456 176.146 174.600 0.151 0.000 0.987 118 S CA 0.630 58.886 58.200 0.094 0.000 0.936 118 S CB 0.074 63.308 63.200 0.056 0.000 0.766 118 S HN 0.082 nan 8.310 nan 0.000 0.528 119 L N 1.151 122.504 121.223 0.216 0.000 2.766 119 L HA 0.434 4.774 4.340 0.000 0.000 0.242 119 L C 0.169 177.330 176.870 0.484 0.000 1.136 119 L CA 0.504 55.528 54.840 0.306 0.000 0.933 119 L CB 0.266 42.483 42.059 0.264 0.000 1.241 119 L HN 0.199 nan 8.230 nan 0.000 0.522 120 T N -0.105 114.672 114.554 0.372 0.000 2.824 120 T HA 0.479 4.829 4.350 0.000 0.000 0.280 120 T C -0.215 174.565 174.700 0.133 0.000 0.995 120 T CA -0.410 61.869 62.100 0.298 0.000 1.009 120 T CB 2.107 71.085 68.868 0.185 0.000 0.955 120 T HN -0.173 nan 8.240 nan 0.000 0.452 121 R N 1.865 122.399 120.500 0.056 0.000 2.312 121 R HA 0.559 4.899 4.340 0.000 0.000 0.310 121 R C 0.433 176.703 176.300 -0.050 0.000 1.064 121 R CA -0.487 55.528 56.100 -0.141 0.000 0.983 121 R CB 0.161 30.256 30.300 -0.341 0.000 1.139 121 R HN 0.834 nan 8.270 nan 0.000 0.536 122 G N 3.276 112.046 108.800 -0.049 0.000 2.588 122 G HA2 0.330 4.290 3.960 0.000 0.000 0.278 122 G HA3 0.330 4.290 3.960 0.000 0.000 0.278 122 G C -1.992 172.882 174.900 -0.043 0.000 1.307 122 G CA -0.955 44.122 45.100 -0.038 0.000 1.016 122 G HN 0.461 nan 8.290 nan 0.000 0.503 123 P HA 0.343 nan 4.420 nan 0.000 0.272 123 P C -0.123 177.157 177.300 -0.032 0.000 1.254 123 P CA -0.129 62.952 63.100 -0.033 0.000 0.795 123 P CB 0.594 32.274 31.700 -0.032 0.000 1.022 124 R N -0.067 120.415 120.500 -0.031 0.000 2.831 124 R HA 0.358 4.698 4.340 0.000 0.000 0.266 124 R C -0.265 176.012 176.300 -0.038 0.000 1.051 124 R CA -0.606 55.474 56.100 -0.033 0.000 0.943 124 R CB 1.485 31.766 30.300 -0.033 0.000 1.228 124 R HN 0.363 nan 8.270 nan 0.000 0.467 125 D N -0.011 120.367 120.400 -0.038 0.000 2.559 125 D HA 0.132 4.772 4.640 0.000 0.000 0.296 125 D C -0.585 175.689 176.300 -0.043 0.000 1.118 125 D CA 0.773 54.746 54.000 -0.045 0.000 0.967 125 D CB 0.882 41.661 40.800 -0.035 0.000 1.607 125 D HN 0.199 nan 8.370 nan 0.000 0.493 126 K N 1.283 121.664 120.400 -0.031 0.000 2.156 126 K HA 0.526 4.846 4.320 0.000 0.000 0.254 126 K C -2.661 173.927 176.600 -0.020 0.000 0.950 126 K CA -1.697 54.576 56.287 -0.023 0.000 0.849 126 K CB 1.893 34.382 32.500 -0.018 0.000 1.100 126 K HN -0.184 nan 8.250 nan 0.000 0.434 127 P HA -0.083 nan 4.420 nan 0.000 0.268 127 P C -0.416 176.879 177.300 -0.007 0.000 1.208 127 P CA -0.194 62.901 63.100 -0.008 0.000 0.777 127 P CB 0.418 32.119 31.700 0.002 0.000 0.875 128 T N 3.657 118.208 114.554 -0.006 0.000 2.778 128 T HA 0.091 4.441 4.350 0.000 0.000 0.282 128 T C -1.943 172.758 174.700 0.002 0.000 0.983 128 T CA -1.264 60.836 62.100 -0.000 0.000 1.193 128 T CB -0.762 68.114 68.868 0.013 0.000 0.938 128 T HN 0.223 nan 8.240 nan 0.000 0.523 129 P HA -0.017 nan 4.420 nan 0.000 0.266 129 P C 1.463 178.749 177.300 -0.023 0.000 1.195 129 P CA -0.599 62.493 63.100 -0.015 0.000 0.768 129 P CB 0.609 32.297 31.700 -0.020 0.000 0.838 130 L N 2.740 123.952 121.223 -0.019 0.000 2.010 130 L HA -0.224 4.116 4.340 0.000 0.000 0.219 130 L C 2.554 179.394 176.870 -0.050 0.000 1.077 130 L CA 2.509 57.334 54.840 -0.026 0.000 0.773 130 L CB -1.258 40.789 42.059 -0.019 0.000 0.892 130 L HN 0.570 nan 8.230 nan 0.000 0.436 131 E N 0.664 120.832 120.200 -0.052 0.000 2.171 131 E HA -0.273 4.077 4.350 0.000 0.000 0.197 131 E C 1.525 178.056 176.600 -0.115 0.000 0.997 131 E CA 1.943 58.303 56.400 -0.067 0.000 0.810 131 E CB -0.385 29.284 29.700 -0.052 0.000 0.738 131 E HN 0.841 nan 8.360 nan 0.000 0.467 132 E N 0.205 120.317 120.200 -0.146 0.000 2.290 132 E HA 0.045 4.395 4.350 0.000 0.000 0.197 132 E C 2.392 178.738 176.600 -0.424 0.000 0.948 132 E CA -0.201 56.020 56.400 -0.298 0.000 0.895 132 E CB -0.363 29.202 29.700 -0.225 0.000 0.865 132 E HN 0.111 nan 8.360 nan 0.000 0.486 133 L N 1.269 122.393 121.223 -0.165 0.000 2.093 133 L HA -0.050 4.290 4.340 0.000 0.000 0.208 133 L C 2.142 179.001 176.870 -0.018 0.000 1.085 133 L CA 1.095 55.916 54.840 -0.031 0.000 0.755 133 L CB -0.491 41.592 42.059 0.040 0.000 0.904 133 L HN 0.332 nan 8.230 nan 0.000 0.435 134 L N 0.837 122.020 121.223 -0.067 0.000 1.994 134 L HA -0.100 4.240 4.340 0.000 0.000 0.208 134 L C -0.144 176.704 176.870 -0.038 0.000 1.071 134 L CA 1.982 56.784 54.840 -0.063 0.000 0.745 134 L CB -2.260 39.762 42.059 -0.062 0.000 0.892 134 L HN 0.163 nan 8.230 nan 0.000 0.431 135 P HA -0.100 nan 4.420 nan 0.000 0.219 135 P C 1.225 178.604 177.300 0.131 0.000 1.150 135 P CA 1.154 64.257 63.100 0.004 0.000 0.814 135 P CB -0.016 31.657 31.700 -0.044 0.000 0.787 136 H N -0.167 118.940 119.070 0.062 0.000 2.299 136 H HA 0.021 4.577 4.556 0.000 0.000 0.302 136 H C 2.044 177.468 175.328 0.160 0.000 1.078 136 H CA 1.449 57.559 56.048 0.103 0.000 1.323 136 H CB -1.219 28.601 29.762 0.097 0.000 1.381 136 H HN 0.000 nan 8.280 nan 0.000 0.498 137 A N 1.089 124.072 122.820 0.272 0.000 1.892 137 A HA -0.158 4.162 4.320 0.000 0.000 0.218 137 A C 2.668 180.363 177.584 0.184 0.000 1.188 137 A CA 1.785 53.946 52.037 0.207 0.000 0.631 137 A CB -0.947 17.931 19.000 -0.203 0.000 0.822 137 A HN 0.358 nan 8.150 nan 0.000 0.447 138 I N -0.540 120.091 120.570 0.102 0.000 2.286 138 I HA -0.244 3.926 4.170 0.000 0.000 0.248 138 I C 2.550 178.754 176.117 0.145 0.000 1.115 138 I CA 1.743 63.100 61.300 0.096 0.000 1.392 138 I CB -0.400 37.632 38.000 0.053 0.000 1.065 138 I HN 0.509 nan 8.210 nan 0.000 0.418 139 E N 1.817 122.123 120.200 0.176 0.000 2.038 139 E HA -0.304 4.046 4.350 0.000 0.000 0.195 139 E C 2.097 178.819 176.600 0.204 0.000 1.000 139 E CA 1.798 58.303 56.400 0.176 0.000 0.803 139 E CB -0.660 29.154 29.700 0.190 0.000 0.750 139 E HN 0.394 nan 8.360 nan 0.000 0.448 140 F N 0.904 120.942 119.950 0.145 0.000 2.069 140 F HA -0.102 4.425 4.527 0.000 0.000 0.298 140 F C 2.062 177.960 175.800 0.164 0.000 1.113 140 F CA 1.856 59.957 58.000 0.169 0.000 1.214 140 F CB -0.492 38.626 39.000 0.197 0.000 0.978 140 F HN 0.101 nan 8.300 nan 0.000 0.474 141 I N 0.464 120.990 120.570 -0.073 0.000 2.361 141 I HA -0.319 3.851 4.170 0.000 0.000 0.251 141 I C 2.088 178.181 176.117 -0.039 0.000 1.133 141 I CA 1.195 62.437 61.300 -0.097 0.000 1.413 141 I CB -0.630 37.457 38.000 0.145 0.000 1.073 141 I HN 0.251 nan 8.210 nan 0.000 0.424 142 N N 0.299 119.011 118.700 0.019 0.000 2.354 142 N HA -0.181 4.559 4.740 0.000 0.000 0.179 142 N C 1.845 177.297 175.510 -0.098 0.000 1.021 142 N CA 0.885 53.962 53.050 0.045 0.000 0.887 142 N CB 0.002 38.580 38.487 0.152 0.000 0.974 142 N HN 0.516 nan 8.380 nan 0.000 0.437 143 Q N -0.167 119.563 119.800 -0.117 0.000 2.083 143 Q HA -0.158 4.182 4.340 0.000 0.000 0.198 143 Q C 1.960 177.728 176.000 -0.386 0.000 0.969 143 Q CA 0.985 56.721 55.803 -0.112 0.000 0.838 143 Q CB -0.113 28.669 28.738 0.073 0.000 0.900 143 Q HN 0.327 nan 8.270 nan 0.000 0.436 144 Y N 0.079 119.866 120.300 -0.855 0.000 2.070 144 Y HA -0.290 4.260 4.550 0.000 0.000 0.280 144 Y C 1.472 176.607 175.900 -1.275 0.000 1.148 144 Y CA 1.985 59.220 58.100 -1.441 0.000 1.125 144 Y CB -0.593 37.021 38.460 -1.409 0.000 0.975 144 Y HN 0.187 nan 8.280 nan 0.000 0.492 145 Y N -0.145 119.636 120.300 -0.865 0.000 2.639 145 Y HA 0.027 4.577 4.550 0.000 0.000 0.297 145 Y C 2.325 177.843 175.900 -0.638 0.000 1.151 145 Y CA 0.985 58.593 58.100 -0.820 0.000 1.335 145 Y CB -0.502 37.430 38.460 -0.880 0.000 0.994 145 Y HN 0.268 nan 8.280 nan 0.000 0.548 146 G N -1.730 106.776 108.800 -0.490 0.000 3.088 146 G HA2 -0.038 3.923 3.960 0.000 0.000 0.217 146 G HA3 -0.038 3.923 3.960 0.000 0.000 0.217 146 G C 1.522 176.237 174.900 -0.309 0.000 1.159 146 G CA 0.602 45.551 45.100 -0.252 0.000 0.760 146 G HN 0.419 nan 8.290 nan 0.000 0.550 147 S N 0.918 116.240 115.700 -0.630 0.000 2.356 147 S HA 0.179 4.650 4.470 0.000 0.000 0.219 147 S C 0.990 175.397 174.600 -0.321 0.000 1.036 147 S CA -0.238 57.685 58.200 -0.461 0.000 0.965 147 S CB -0.551 62.346 63.200 -0.505 0.000 0.864 147 S HN 0.185 nan 8.310 nan 0.000 0.471 148 F N 2.431 122.248 119.950 -0.221 0.000 2.545 148 F HA 0.459 4.986 4.527 0.000 0.000 0.348 148 F C 1.554 177.305 175.800 -0.083 0.000 1.163 148 F CA -1.625 56.289 58.000 -0.143 0.000 1.331 148 F CB 0.063 38.958 39.000 -0.175 0.000 1.138 148 F HN -0.085 nan 8.300 nan 0.000 0.602 149 K N 0.564 121.069 120.400 0.175 0.000 2.218 149 K HA -0.159 4.161 4.320 0.000 0.000 0.205 149 K C -0.081 176.562 176.600 0.073 0.000 1.046 149 K CA 1.807 58.149 56.287 0.092 0.000 0.933 149 K CB -0.366 32.167 32.500 0.055 0.000 0.728 149 K HN 0.867 nan 8.250 nan 0.000 0.454 150 E N 0.300 120.535 120.200 0.058 0.000 2.244 150 E HA 0.516 4.866 4.350 0.000 0.000 0.260 150 E C -1.426 175.166 176.600 -0.013 0.000 0.884 150 E CA -0.668 55.740 56.400 0.013 0.000 0.777 150 E CB 1.733 31.414 29.700 -0.031 0.000 1.197 150 E HN -0.019 nan 8.360 nan 0.000 0.416 151 A N 3.765 126.630 122.820 0.075 0.000 2.401 151 A HA 0.196 4.516 4.320 0.000 0.000 0.259 151 A C 0.082 177.681 177.584 0.026 0.000 1.103 151 A CA -0.597 51.520 52.037 0.134 0.000 0.789 151 A CB 0.261 19.401 19.000 0.233 0.000 1.035 151 A HN 0.603 nan 8.150 nan 0.000 0.491 152 K N 3.729 124.128 120.400 -0.002 0.000 2.307 152 K HA 0.209 4.529 4.320 0.000 0.000 0.240 152 K C 0.540 177.196 176.600 0.094 0.000 1.214 152 K CA -0.078 56.207 56.287 -0.003 0.000 1.149 152 K CB -0.092 32.375 32.500 -0.056 0.000 1.668 152 K HN 0.723 nan 8.250 nan 0.000 0.314 153 I N 1.187 121.801 120.570 0.073 0.000 2.113 153 I HA -0.423 3.747 4.170 0.000 0.000 0.242 153 I C 1.876 177.984 176.117 -0.016 0.000 1.057 153 I CA 1.734 63.064 61.300 0.050 0.000 1.314 153 I CB -0.202 37.805 38.000 0.012 0.000 1.022 153 I HN 0.540 nan 8.210 nan 0.000 0.408 154 E N 0.582 120.769 120.200 -0.021 0.000 2.110 154 E HA -0.238 4.112 4.350 0.000 0.000 0.193 154 E C 2.038 178.608 176.600 -0.050 0.000 0.988 154 E CA 1.312 57.688 56.400 -0.038 0.000 0.804 154 E CB -0.192 29.494 29.700 -0.024 0.000 0.745 154 E HN 0.589 nan 8.360 nan 0.000 0.458 155 E N -0.084 120.096 120.200 -0.032 0.000 2.152 155 E HA -0.157 4.193 4.350 0.000 0.000 0.192 155 E C 1.987 178.409 176.600 -0.296 0.000 0.983 155 E CA 0.539 56.916 56.400 -0.038 0.000 0.818 155 E CB -0.129 29.638 29.700 0.113 0.000 0.758 155 E HN 0.435 nan 8.360 nan 0.000 0.467 156 H N 0.877 119.574 119.070 -0.622 0.000 2.321 156 H HA -0.095 4.461 4.556 0.000 0.000 0.300 156 H C 2.192 177.201 175.328 -0.533 0.000 1.087 156 H CA 1.062 56.457 56.048 -1.089 0.000 1.319 156 H CB 0.129 29.584 29.762 -0.512 0.000 1.379 156 H HN 0.053 nan 8.280 nan 0.000 0.501 157 L N 0.346 121.439 121.223 -0.218 0.000 1.994 157 L HA -0.175 4.165 4.340 0.000 0.000 0.208 157 L C 3.081 179.884 176.870 -0.113 0.000 1.071 157 L CA 1.024 55.753 54.840 -0.185 0.000 0.745 157 L CB -0.582 41.386 42.059 -0.152 0.000 0.892 157 L HN 0.403 nan 8.230 nan 0.000 0.431 158 A N 0.000 122.765 122.820 -0.093 0.000 1.908 158 A HA -0.286 4.034 4.320 0.000 0.000 0.218 158 A C 2.349 179.918 177.584 -0.024 0.000 1.181 158 A CA 2.143 54.153 52.037 -0.045 0.000 0.627 158 A CB -0.536 18.452 19.000 -0.021 0.000 0.818 158 A HN 0.293 nan 8.150 nan 0.000 0.445 159 R N -0.137 120.336 120.500 -0.044 0.000 2.066 159 R HA 0.033 4.374 4.340 0.000 0.000 0.232 159 R C 1.972 178.292 176.300 0.033 0.000 1.131 159 R CA 1.569 57.690 56.100 0.035 0.000 0.955 159 R CB -0.888 29.469 30.300 0.096 0.000 0.851 159 R HN 0.518 nan 8.270 nan 0.000 0.432 160 L N 0.232 121.455 121.223 -0.000 0.000 2.042 160 L HA -0.186 4.154 4.340 0.000 0.000 0.210 160 L C 2.543 179.402 176.870 -0.018 0.000 1.076 160 L CA 2.058 56.903 54.840 0.008 0.000 0.749 160 L CB -0.484 41.569 42.059 -0.010 0.000 0.893 160 L HN 0.424 nan 8.230 nan 0.000 0.432 161 E N -0.054 120.129 120.200 -0.029 0.000 2.047 161 E HA -0.229 4.121 4.350 0.000 0.000 0.191 161 E C 2.186 178.778 176.600 -0.013 0.000 0.987 161 E CA 1.137 57.522 56.400 -0.026 0.000 0.799 161 E CB -0.006 29.676 29.700 -0.029 0.000 0.752 161 E HN 0.449 nan 8.360 nan 0.000 0.449 162 A N 0.582 123.403 122.820 0.002 0.000 1.877 162 A HA -0.152 4.168 4.320 0.000 0.000 0.216 162 A C 2.435 180.029 177.584 0.017 0.000 1.186 162 A CA 1.631 53.679 52.037 0.019 0.000 0.620 162 A CB -0.841 18.184 19.000 0.042 0.000 0.822 162 A HN 0.233 nan 8.150 nan 0.000 0.443 163 V N -0.105 119.814 119.914 0.008 0.000 2.332 163 V HA -0.250 3.870 4.120 0.000 0.000 0.248 163 V C 2.750 178.776 176.094 -0.114 0.000 1.055 163 V CA 2.510 64.779 62.300 -0.052 0.000 1.038 163 V CB -1.386 30.375 31.823 -0.103 0.000 0.651 163 V HN 0.627 nan 8.190 nan 0.000 0.450 164 T N -0.283 114.221 114.554 -0.084 0.000 2.652 164 T HA -0.239 4.111 4.350 0.000 0.000 0.267 164 T C 1.946 176.618 174.700 -0.047 0.000 1.039 164 T CA 1.741 63.795 62.100 -0.076 0.000 1.153 164 T CB -0.245 68.593 68.868 -0.051 0.000 0.863 164 T HN 0.473 nan 8.240 nan 0.000 0.428 165 K N 0.747 121.132 120.400 -0.024 0.000 2.057 165 K HA -0.126 4.194 4.320 0.000 0.000 0.207 165 K C 2.459 179.061 176.600 0.004 0.000 1.049 165 K CA 1.379 57.661 56.287 -0.008 0.000 0.931 165 K CB -0.158 32.341 32.500 -0.000 0.000 0.714 165 K HN 0.466 nan 8.250 nan 0.000 0.440 166 E N 1.145 121.353 120.200 0.014 0.000 2.118 166 E HA -0.201 4.149 4.350 0.000 0.000 0.195 166 E C 1.893 178.523 176.600 0.050 0.000 0.992 166 E CA 1.085 57.512 56.400 0.045 0.000 0.804 166 E CB 0.010 29.761 29.700 0.085 0.000 0.741 166 E HN 0.268 nan 8.360 nan 0.000 0.458 167 I N 0.703 121.281 120.570 0.013 0.000 2.233 167 I HA -0.208 3.963 4.170 0.000 0.000 0.243 167 I C 2.169 178.295 176.117 0.014 0.000 1.093 167 I CA 1.207 62.518 61.300 0.018 0.000 1.380 167 I CB -0.281 37.682 38.000 -0.061 0.000 1.067 167 I HN 0.124 nan 8.210 nan 0.000 0.413 168 E N 0.353 120.550 120.200 -0.004 0.000 2.204 168 E HA -0.193 4.157 4.350 0.000 0.000 0.195 168 E C 2.075 178.679 176.600 0.007 0.000 0.990 168 E CA 1.896 58.294 56.400 -0.002 0.000 0.821 168 E CB -0.075 29.619 29.700 -0.010 0.000 0.750 168 E HN 0.634 nan 8.360 nan 0.000 0.477 169 T N -2.042 112.521 114.554 0.014 0.000 2.953 169 T HA -0.054 4.296 4.350 0.000 0.000 0.247 169 T C 2.141 176.856 174.700 0.025 0.000 1.029 169 T CA 1.194 63.304 62.100 0.018 0.000 1.144 169 T CB -0.260 68.620 68.868 0.019 0.000 0.870 169 T HN 0.161 nan 8.240 nan 0.000 0.446 170 T N -2.353 112.222 114.554 0.035 0.000 3.040 170 T HA 0.600 4.950 4.350 0.000 0.000 0.250 170 T C 1.708 176.434 174.700 0.043 0.000 1.058 170 T CA 0.653 62.777 62.100 0.040 0.000 0.988 170 T CB 0.184 69.081 68.868 0.049 0.000 0.993 170 T HN 0.893 nan 8.240 nan 0.000 0.519 171 G N 1.005 109.832 108.800 0.045 0.000 4.731 171 G HA2 -0.259 3.701 3.960 0.000 0.000 0.266 171 G HA3 -0.259 3.701 3.960 0.000 0.000 0.266 171 G C 0.413 175.360 174.900 0.077 0.000 1.635 171 G CA 0.220 45.348 45.100 0.046 0.000 1.229 171 G HN 0.781 nan 8.290 nan 0.000 0.663 172 T N 0.300 114.907 114.554 0.088 0.000 2.900 172 T HA 0.658 5.008 4.350 0.000 0.000 0.326 172 T C -0.043 174.803 174.700 0.243 0.000 1.145 172 T CA 1.103 63.285 62.100 0.136 0.000 0.963 172 T CB 0.690 69.582 68.868 0.040 0.000 1.512 172 T HN 1.797 nan 8.240 nan 0.000 0.552 173 Y N -1.498 118.805 120.300 0.005 0.000 2.713 173 Y HA 0.662 5.212 4.550 0.000 0.000 0.335 173 Y C -1.592 174.322 175.900 0.024 0.000 1.222 173 Y CA -1.301 56.812 58.100 0.023 0.000 1.061 173 Y CB 0.754 39.239 38.460 0.042 0.000 1.314 173 Y HN 0.402 nan 8.280 nan 0.000 0.453 174 Q N 2.036 121.830 119.800 -0.010 0.000 2.342 174 Q HA 0.476 4.816 4.340 0.000 0.000 0.267 174 Q C -1.081 174.898 176.000 -0.035 0.000 1.038 174 Q CA -0.973 54.769 55.803 -0.103 0.000 0.832 174 Q CB 2.940 31.678 28.738 0.001 0.000 1.323 174 Q HN 0.653 nan 8.270 nan 0.000 0.448 175 L N 1.518 122.697 121.223 -0.072 0.000 2.421 175 L HA 0.367 4.707 4.340 0.000 0.000 0.263 175 L C 1.155 178.043 176.870 0.031 0.000 1.122 175 L CA -0.021 54.833 54.840 0.024 0.000 0.804 175 L CB 0.443 42.502 42.059 -0.001 0.000 1.150 175 L HN 0.744 nan 8.230 nan 0.000 0.457 176 T N -1.419 113.150 114.554 0.025 0.000 2.849 176 T HA 0.188 4.538 4.350 0.000 0.000 0.284 176 T C 1.342 176.037 174.700 -0.009 0.000 1.004 176 T CA -0.692 61.415 62.100 0.012 0.000 1.021 176 T CB 1.068 69.940 68.868 0.005 0.000 1.013 176 T HN 0.484 nan 8.240 nan 0.000 0.527 177 L N 0.182 121.406 121.223 0.001 0.000 2.012 177 L HA -0.125 4.215 4.340 0.000 0.000 0.210 177 L C 2.074 178.946 176.870 0.004 0.000 1.073 177 L CA 2.198 57.032 54.840 -0.009 0.000 0.748 177 L CB -1.190 40.868 42.059 -0.002 0.000 0.891 177 L HN 0.851 nan 8.230 nan 0.000 0.431 178 D N -0.099 120.320 120.400 0.031 0.000 2.123 178 D HA -0.232 4.408 4.640 0.000 0.000 0.196 178 D C 1.939 178.290 176.300 0.086 0.000 0.992 178 D CA 1.385 55.440 54.000 0.090 0.000 0.833 178 D CB 0.250 41.144 40.800 0.157 0.000 0.954 178 D HN 0.536 nan 8.370 nan 0.000 0.455 179 E N -0.028 120.093 120.200 -0.131 0.000 2.110 179 E HA -0.178 4.172 4.350 0.000 0.000 0.193 179 E C 2.076 178.780 176.600 0.174 0.000 0.988 179 E CA 0.313 56.579 56.400 -0.222 0.000 0.804 179 E CB -0.011 29.541 29.700 -0.248 0.000 0.745 179 E HN 0.141 nan 8.360 nan 0.000 0.458 180 L N 0.809 122.057 121.223 0.043 0.000 2.093 180 L HA -0.151 4.189 4.340 0.000 0.000 0.208 180 L C 1.925 178.796 176.870 0.001 0.000 1.085 180 L CA 1.341 56.156 54.840 -0.042 0.000 0.755 180 L CB -0.282 41.693 42.059 -0.140 0.000 0.904 180 L HN 0.046 nan 8.230 nan 0.000 0.435 181 I N -0.860 119.742 120.570 0.055 0.000 2.127 181 I HA -0.322 3.849 4.170 0.000 0.000 0.241 181 I C 2.347 178.556 176.117 0.154 0.000 1.075 181 I CA 1.773 63.113 61.300 0.067 0.000 1.334 181 I CB -0.901 37.151 38.000 0.086 0.000 1.040 181 I HN 0.338 nan 8.210 nan 0.000 0.405 182 F N 1.252 121.280 119.950 0.130 0.000 2.095 182 F HA -0.286 4.241 4.527 0.000 0.000 0.298 182 F C 2.396 178.315 175.800 0.197 0.000 1.104 182 F CA 1.750 59.871 58.000 0.200 0.000 1.232 182 F CB -0.578 38.615 39.000 0.322 0.000 0.987 182 F HN 0.059 nan 8.300 nan 0.000 0.475 183 A N 0.115 123.082 122.820 0.245 0.000 1.865 183 A HA -0.249 4.071 4.320 0.000 0.000 0.217 183 A C 2.300 179.795 177.584 -0.149 0.000 1.191 183 A CA 2.911 54.961 52.037 0.022 0.000 0.623 183 A CB -1.723 17.218 19.000 -0.098 0.000 0.826 183 A HN 0.567 nan 8.150 nan 0.000 0.444 184 T N -1.582 112.910 114.554 -0.103 0.000 2.720 184 T HA -0.175 4.175 4.350 0.000 0.000 0.268 184 T C 1.796 176.529 174.700 0.055 0.000 1.037 184 T CA 1.719 63.787 62.100 -0.054 0.000 1.144 184 T CB -0.363 68.481 68.868 -0.040 0.000 0.864 184 T HN 0.555 nan 8.240 nan 0.000 0.444 185 K N 0.049 120.488 120.400 0.065 0.000 2.103 185 K HA 0.138 4.458 4.320 0.000 0.000 0.204 185 K C 2.306 178.991 176.600 0.141 0.000 1.052 185 K CA 1.257 57.672 56.287 0.214 0.000 0.945 185 K CB -0.270 32.349 32.500 0.198 0.000 0.722 185 K HN 0.212 nan 8.250 nan 0.000 0.443 186 M N 0.838 120.340 119.600 -0.163 0.000 2.200 186 M HA -0.031 4.449 4.480 0.000 0.000 0.265 186 M C 2.018 178.176 176.300 -0.238 0.000 1.066 186 M CA 1.248 56.354 55.300 -0.323 0.000 1.127 186 M CB -0.209 32.053 32.600 -0.564 0.000 1.379 186 M HN 0.155 nan 8.290 nan 0.000 0.420 187 A N -0.999 121.659 122.820 -0.271 0.000 1.933 187 A HA -0.214 4.106 4.320 0.000 0.000 0.218 187 A C 2.005 179.447 177.584 -0.237 0.000 1.175 187 A CA 1.705 53.447 52.037 -0.493 0.000 0.628 187 A CB -1.393 16.931 19.000 -1.125 0.000 0.814 187 A HN 0.793 nan 8.150 nan 0.000 0.444 188 W N 0.863 122.096 121.300 -0.113 0.000 2.407 188 W HA -0.082 4.578 4.660 0.000 0.000 0.305 188 W C 2.308 178.750 176.519 -0.129 0.000 1.196 188 W CA 1.363 58.690 57.345 -0.030 0.000 1.311 188 W CB -0.714 28.725 29.460 -0.035 0.000 1.135 188 W HN 0.359 nan 8.180 nan 0.000 0.514 189 R N 0.417 120.853 120.500 -0.107 0.000 2.117 189 R HA -0.189 4.151 4.340 0.000 0.000 0.243 189 R C 1.301 177.443 176.300 -0.264 0.000 1.143 189 R CA 1.866 57.734 56.100 -0.386 0.000 0.968 189 R CB -0.579 29.311 30.300 -0.683 0.000 0.863 189 R HN 0.065 nan 8.270 nan 0.000 0.444 190 N N 0.208 118.791 118.700 -0.194 0.000 2.383 190 N HA 0.046 4.786 4.740 0.000 0.000 0.192 190 N C -0.735 174.710 175.510 -0.109 0.000 1.141 190 N CA 0.505 53.481 53.050 -0.123 0.000 0.851 190 N CB 0.877 39.340 38.487 -0.039 0.000 0.976 190 N HN 0.176 nan 8.380 nan 0.000 0.465 191 A N 2.211 124.944 122.820 -0.146 0.000 2.437 191 A HA 0.248 4.568 4.320 0.000 0.000 0.303 191 A C -1.081 176.435 177.584 -0.113 0.000 1.324 191 A CA -1.113 50.795 52.037 -0.215 0.000 0.983 191 A CB 0.490 19.425 19.000 -0.107 0.000 1.142 191 A HN -0.001 nan 8.150 nan 0.000 0.541 192 P HA -0.097 nan 4.420 nan 0.000 0.230 192 P C 0.650 177.900 177.300 -0.083 0.000 1.158 192 P CA 0.900 63.953 63.100 -0.078 0.000 0.769 192 P CB 0.226 31.876 31.700 -0.084 0.000 0.807 193 R N -1.509 118.906 120.500 -0.143 0.000 2.468 193 R HA 0.203 4.543 4.340 0.000 0.000 0.280 193 R C 0.247 176.565 176.300 0.030 0.000 0.963 193 R CA -0.227 55.823 56.100 -0.084 0.000 1.083 193 R CB -0.029 30.035 30.300 -0.392 0.000 1.200 193 R HN 0.126 nan 8.270 nan 0.000 0.541 194 C N 0.699 119.997 119.300 -0.003 0.000 2.295 194 C HA 0.361 4.822 4.460 0.000 0.000 0.331 194 C C 1.781 176.771 174.990 0.001 0.000 1.280 194 C CA -0.772 58.272 59.018 0.042 0.000 1.746 194 C CB 0.052 27.877 27.740 0.142 0.000 2.328 194 C HN 0.447 nan 8.230 nan 0.000 0.521 195 I N 4.135 124.677 120.570 -0.046 0.000 2.852 195 I HA 0.105 4.275 4.170 0.000 0.000 0.264 195 I C 2.159 178.349 176.117 0.123 0.000 1.179 195 I CA 1.277 62.520 61.300 -0.095 0.000 1.480 195 I CB -0.490 37.428 38.000 -0.137 0.000 1.111 195 I HN 0.982 nan 8.210 nan 0.000 0.441 196 G N 0.641 109.487 108.800 0.077 0.000 3.210 196 G HA2 -0.049 3.911 3.960 0.000 0.000 0.220 196 G HA3 -0.049 3.911 3.960 0.000 0.000 0.220 196 G C 1.314 176.184 174.900 -0.050 0.000 1.200 196 G CA -0.352 44.774 45.100 0.043 0.000 0.834 196 G HN 0.300 nan 8.290 nan 0.000 0.524 197 R N -0.137 120.269 120.500 -0.157 0.000 2.341 197 R HA 0.032 4.372 4.340 0.000 0.000 0.213 197 R C 1.893 177.598 176.300 -0.991 0.000 1.082 197 R CA 0.269 55.968 56.100 -0.669 0.000 1.017 197 R CB -0.265 29.742 30.300 -0.487 0.000 0.860 197 R HN 0.460 nan 8.270 nan 0.000 0.473 198 I N 1.070 121.202 120.570 -0.730 0.000 2.614 198 I HA -0.205 3.965 4.170 0.000 0.000 0.258 198 I C 1.435 177.395 176.117 -0.262 0.000 1.189 198 I CA 1.110 62.163 61.300 -0.412 0.000 1.462 198 I CB 0.158 38.111 38.000 -0.078 0.000 1.092 198 I HN 0.119 nan 8.210 nan 0.000 0.442 199 Q N 0.620 120.188 119.800 -0.387 0.000 2.365 199 Q HA -0.102 4.238 4.340 0.000 0.000 0.203 199 Q C 1.541 177.041 176.000 -0.832 0.000 0.929 199 Q CA 0.252 55.835 55.803 -0.366 0.000 0.948 199 Q CB -0.169 28.518 28.738 -0.084 0.000 1.043 199 Q HN 0.751 nan 8.270 nan 0.000 0.505 200 W N 0.900 121.440 121.300 -1.266 0.000 2.321 200 W HA -0.210 4.450 4.660 0.000 0.000 0.306 200 W C 1.221 177.469 176.519 -0.453 0.000 1.217 200 W CA 1.588 58.124 57.345 -1.347 0.000 1.257 200 W CB -1.337 27.536 29.460 -0.979 0.000 1.145 200 W HN 0.174 nan 8.180 nan 0.000 0.509 201 S N 0.303 115.143 115.700 -1.432 0.000 2.607 201 S HA 0.002 4.472 4.470 0.000 0.000 0.224 201 S C 0.556 174.894 174.600 -0.437 0.000 0.969 201 S CA 0.096 57.627 58.200 -1.116 0.000 0.927 201 S CB -0.752 61.613 63.200 -1.392 0.000 0.772 201 S HN 0.187 nan 8.310 nan 0.000 0.533 202 N N 1.637 120.191 118.700 -0.244 0.000 3.091 202 N HA 0.436 5.176 4.740 0.000 0.000 0.255 202 N C -1.530 174.072 175.510 0.153 0.000 1.204 202 N CA -0.160 52.877 53.050 -0.022 0.000 0.990 202 N CB 1.164 39.668 38.487 0.028 0.000 1.260 202 N HN 0.303 nan 8.380 nan 0.000 0.502 203 L N 1.726 123.006 121.223 0.095 0.000 2.431 203 L HA 0.363 4.703 4.340 0.000 0.000 0.266 203 L C -0.687 176.160 176.870 -0.039 0.000 0.978 203 L CA -0.652 54.239 54.840 0.084 0.000 0.822 203 L CB 2.242 44.389 42.059 0.146 0.000 1.310 203 L HN 0.159 nan 8.230 nan 0.000 0.409 204 Q N 2.867 122.601 119.800 -0.111 0.000 2.278 204 Q HA 0.640 4.980 4.340 0.000 0.000 0.257 204 Q C -1.719 173.977 176.000 -0.506 0.000 0.928 204 Q CA -0.304 55.302 55.803 -0.329 0.000 0.932 204 Q CB 1.562 30.041 28.738 -0.431 0.000 1.221 204 Q HN 0.508 nan 8.270 nan 0.000 0.434 205 V N 5.365 124.975 119.914 -0.507 0.000 2.459 205 V HA 0.473 4.593 4.120 0.000 0.000 0.295 205 V C -0.869 174.901 176.094 -0.540 0.000 1.029 205 V CA -0.611 61.421 62.300 -0.447 0.000 0.874 205 V CB 0.937 32.618 31.823 -0.237 0.000 0.985 205 V HN 0.662 nan 8.190 nan 0.000 0.438 206 F N 2.464 122.268 119.950 -0.243 0.000 2.347 206 F HA 0.355 4.882 4.527 0.000 0.000 0.366 206 F C 0.421 176.013 175.800 -0.346 0.000 1.107 206 F CA -1.471 56.365 58.000 -0.272 0.000 1.058 206 F CB 1.010 39.843 39.000 -0.279 0.000 1.236 206 F HN 0.478 nan 8.300 nan 0.000 0.456 207 D N 3.319 123.659 120.400 -0.101 0.000 2.383 207 D HA 0.301 4.941 4.640 0.000 0.000 0.245 207 D C 0.330 176.460 176.300 -0.283 0.000 1.263 207 D CA 0.234 54.120 54.000 -0.189 0.000 0.936 207 D CB 0.676 41.408 40.800 -0.114 0.000 1.053 207 D HN 0.559 nan 8.370 nan 0.000 0.507 208 A N 4.553 127.078 122.820 -0.493 0.000 2.713 208 A HA 0.180 4.500 4.320 0.000 0.000 0.296 208 A C 1.709 179.035 177.584 -0.429 0.000 1.255 208 A CA -0.446 51.154 52.037 -0.729 0.000 0.955 208 A CB 0.009 18.151 19.000 -1.430 0.000 1.149 208 A HN 0.520 nan 8.150 nan 0.000 0.538 209 R N 0.720 121.067 120.500 -0.255 0.000 2.148 209 R HA -0.104 4.236 4.340 0.000 0.000 0.227 209 R C 1.440 177.660 176.300 -0.134 0.000 1.103 209 R CA 1.518 57.527 56.100 -0.152 0.000 0.983 209 R CB -0.177 30.087 30.300 -0.061 0.000 0.874 209 R HN 0.886 nan 8.270 nan 0.000 0.451 210 N N -0.113 118.529 118.700 -0.097 0.000 2.461 210 N HA -0.044 4.696 4.740 0.000 0.000 0.188 210 N C 0.534 176.050 175.510 0.010 0.000 1.134 210 N CA -0.339 52.691 53.050 -0.032 0.000 0.878 210 N CB 0.009 38.496 38.487 -0.001 0.000 0.972 210 N HN 0.020 nan 8.380 nan 0.000 0.456 211 C N 1.588 120.881 119.300 -0.012 0.000 2.703 211 C HA 0.187 4.647 4.460 0.000 0.000 0.411 211 C C 1.757 176.848 174.990 0.168 0.000 1.290 211 C CA 0.517 59.613 59.018 0.129 0.000 2.054 211 C CB 0.497 28.364 27.740 0.213 0.000 2.732 211 C HN 0.617 nan 8.230 nan 0.000 0.650 212 S N 0.984 116.864 115.700 0.300 0.000 2.615 212 S HA 0.217 4.688 4.470 0.000 0.000 0.277 212 S C 0.059 174.834 174.600 0.293 0.000 1.068 212 S CA 0.406 58.822 58.200 0.359 0.000 1.315 212 S CB -0.189 63.130 63.200 0.198 0.000 1.193 212 S HN 1.136 nan 8.310 nan 0.000 0.656 213 T N -1.541 113.167 114.554 0.255 0.000 2.906 213 T HA 0.842 5.192 4.350 0.000 0.000 0.295 213 T C 1.147 175.941 174.700 0.156 0.000 1.075 213 T CA -0.196 61.997 62.100 0.156 0.000 1.005 213 T CB 1.404 70.342 68.868 0.117 0.000 1.136 213 T HN 0.280 nan 8.240 nan 0.000 0.498 214 A N 0.450 123.340 122.820 0.116 0.000 1.933 214 A HA -0.078 4.243 4.320 0.000 0.000 0.218 214 A C 2.266 179.872 177.584 0.037 0.000 1.175 214 A CA 1.249 53.367 52.037 0.135 0.000 0.628 214 A CB -0.921 18.243 19.000 0.272 0.000 0.814 214 A HN 0.752 nan 8.150 nan 0.000 0.444 215 Q N -0.258 119.619 119.800 0.128 0.000 2.119 215 Q HA -0.139 4.202 4.340 0.000 0.000 0.201 215 Q C 1.850 177.871 176.000 0.035 0.000 0.972 215 Q CA 1.627 57.470 55.803 0.066 0.000 0.847 215 Q CB -0.222 28.616 28.738 0.166 0.000 0.903 215 Q HN 0.825 nan 8.270 nan 0.000 0.433 216 E N -0.473 119.777 120.200 0.083 0.000 2.107 216 E HA -0.099 4.251 4.350 0.000 0.000 0.191 216 E C 2.094 178.811 176.600 0.195 0.000 0.982 216 E CA 0.625 57.082 56.400 0.096 0.000 0.809 216 E CB 0.002 29.807 29.700 0.175 0.000 0.756 216 E HN 0.303 nan 8.360 nan 0.000 0.459 217 M N 0.067 119.809 119.600 0.238 0.000 2.059 217 M HA -0.175 4.305 4.480 0.000 0.000 0.259 217 M C 2.239 178.650 176.300 0.185 0.000 1.072 217 M CA 1.360 56.835 55.300 0.291 0.000 1.117 217 M CB -0.352 32.236 32.600 -0.020 0.000 1.320 217 M HN 0.133 nan 8.290 nan 0.000 0.408 218 F N 1.391 121.188 119.950 -0.256 0.000 2.115 218 F HA -0.309 4.218 4.527 0.000 0.000 0.300 218 F C 2.267 177.945 175.800 -0.203 0.000 1.092 218 F CA 1.970 59.723 58.000 -0.411 0.000 1.245 218 F CB -0.577 37.782 39.000 -1.069 0.000 0.995 218 F HN 0.210 nan 8.300 nan 0.000 0.481 219 Q N -1.403 118.212 119.800 -0.309 0.000 2.172 219 Q HA -0.176 4.164 4.340 0.000 0.000 0.200 219 Q C 2.182 177.986 176.000 -0.327 0.000 0.964 219 Q CA 1.255 56.816 55.803 -0.403 0.000 0.855 219 Q CB -0.288 28.264 28.738 -0.310 0.000 0.918 219 Q HN 0.528 nan 8.270 nan 0.000 0.444 220 H N 0.263 119.273 119.070 -0.100 0.000 2.333 220 H HA -0.031 4.525 4.556 0.000 0.000 0.302 220 H C 2.121 177.389 175.328 -0.100 0.000 1.075 220 H CA 1.126 57.106 56.048 -0.115 0.000 1.348 220 H CB 0.010 29.752 29.762 -0.033 0.000 1.393 220 H HN 0.238 nan 8.280 nan 0.000 0.509 221 I N 0.038 120.701 120.570 0.154 0.000 2.264 221 I HA -0.304 3.866 4.170 0.000 0.000 0.248 221 I C 2.618 178.742 176.117 0.012 0.000 1.111 221 I CA 0.820 62.201 61.300 0.136 0.000 1.382 221 I CB -0.295 37.800 38.000 0.158 0.000 1.060 221 I HN 0.229 nan 8.210 nan 0.000 0.418 222 C N 0.214 119.407 119.300 -0.178 0.000 2.446 222 C HA -0.133 4.327 4.460 0.000 0.000 0.277 222 C C 2.985 177.887 174.990 -0.147 0.000 1.275 222 C CA 0.740 59.622 59.018 -0.226 0.000 1.727 222 C CB -1.105 26.373 27.740 -0.436 0.000 2.010 222 C HN 0.480 nan 8.230 nan 0.000 0.486 223 R N -0.033 120.355 120.500 -0.187 0.000 2.120 223 R HA -0.168 4.172 4.340 0.000 0.000 0.234 223 R C 2.291 178.494 176.300 -0.161 0.000 1.123 223 R CA 1.551 57.519 56.100 -0.220 0.000 0.975 223 R CB -0.664 29.415 30.300 -0.368 0.000 0.866 223 R HN 0.740 nan 8.270 nan 0.000 0.446 224 H N 0.437 119.382 119.070 -0.208 0.000 2.256 224 H HA -0.109 4.447 4.556 0.000 0.000 0.299 224 H C 2.150 177.560 175.328 0.136 0.000 1.071 224 H CA 2.171 58.232 56.048 0.021 0.000 1.280 224 H CB -0.099 29.710 29.762 0.079 0.000 1.370 224 H HN 0.188 nan 8.280 nan 0.000 0.490 225 I N 1.003 121.566 120.570 -0.012 0.000 2.145 225 I HA -0.354 3.816 4.170 0.000 0.000 0.244 225 I C 2.964 179.059 176.117 -0.038 0.000 1.075 225 I CA 1.151 62.407 61.300 -0.073 0.000 1.332 225 I CB -0.418 37.565 38.000 -0.029 0.000 1.033 225 I HN 0.346 nan 8.210 nan 0.000 0.410 226 L N -0.142 121.075 121.223 -0.010 0.000 1.970 226 L HA -0.313 4.027 4.340 0.000 0.000 0.212 226 L C 2.791 179.684 176.870 0.038 0.000 1.071 226 L CA 1.934 56.776 54.840 0.002 0.000 0.751 226 L CB -0.536 41.518 42.059 -0.008 0.000 0.889 226 L HN 0.243 nan 8.230 nan 0.000 0.432 227 Y N 0.320 120.620 120.300 -0.000 0.000 2.128 227 Y HA -0.318 4.232 4.550 0.000 0.000 0.284 227 Y C 2.365 178.296 175.900 0.052 0.000 1.154 227 Y CA 1.886 60.033 58.100 0.079 0.000 1.149 227 Y CB -0.502 38.117 38.460 0.265 0.000 0.976 227 Y HN 0.273 nan 8.280 nan 0.000 0.505 228 A N -0.595 122.299 122.820 0.123 0.000 1.877 228 A HA -0.195 4.125 4.320 0.000 0.000 0.216 228 A C 2.227 179.772 177.584 -0.065 0.000 1.186 228 A CA 2.368 54.400 52.037 -0.008 0.000 0.620 228 A CB -1.393 17.507 19.000 -0.167 0.000 0.822 228 A HN 0.529 nan 8.150 nan 0.000 0.443 229 T N -0.155 114.367 114.554 -0.054 0.000 2.746 229 T HA -0.134 4.216 4.350 0.000 0.000 0.267 229 T C 1.164 175.831 174.700 -0.056 0.000 1.039 229 T CA 1.297 63.380 62.100 -0.028 0.000 1.142 229 T CB -0.451 68.407 68.868 -0.017 0.000 0.866 229 T HN 0.620 nan 8.240 nan 0.000 0.444 230 N N 1.833 120.472 118.700 -0.102 0.000 2.701 230 N HA -0.277 4.463 4.740 0.000 0.000 0.250 230 N C 0.135 175.598 175.510 -0.078 0.000 1.046 230 N CA 0.936 53.911 53.050 -0.124 0.000 0.733 230 N CB -2.047 36.324 38.487 -0.193 0.000 0.973 230 N HN 0.681 nan 8.380 nan 0.000 0.541 231 N N -2.171 116.496 118.700 -0.054 0.000 2.747 231 N HA -0.236 4.504 4.740 0.000 0.000 0.249 231 N C 0.868 176.350 175.510 -0.047 0.000 1.107 231 N CA 1.237 54.260 53.050 -0.045 0.000 0.707 231 N CB -1.254 37.206 38.487 -0.045 0.000 1.054 231 N HN 1.005 nan 8.380 nan 0.000 0.555 232 G N 0.132 108.909 108.800 -0.038 0.000 2.313 232 G HA2 -0.312 3.648 3.960 0.000 0.000 0.215 232 G HA3 -0.312 3.648 3.960 0.000 0.000 0.215 232 G C 0.088 174.970 174.900 -0.030 0.000 1.023 232 G CA 0.264 45.344 45.100 -0.032 0.000 0.626 232 G HN 0.512 nan 8.290 nan 0.000 0.503 233 N N 2.392 121.058 118.700 -0.056 0.000 3.178 233 N HA 0.269 5.009 4.740 0.000 0.000 0.300 233 N C 0.966 176.437 175.510 -0.065 0.000 1.242 233 N CA -0.421 52.581 53.050 -0.080 0.000 1.192 233 N CB -0.632 37.803 38.487 -0.088 0.000 1.463 233 N HN 0.405 nan 8.380 nan 0.000 0.539 234 I N 1.320 121.883 120.570 -0.011 0.000 3.075 234 I HA -0.199 3.971 4.170 0.000 0.000 0.320 234 I C 0.832 177.029 176.117 0.134 0.000 1.211 234 I CA 1.036 62.386 61.300 0.082 0.000 1.463 234 I CB -0.245 37.890 38.000 0.225 0.000 1.308 234 I HN 0.293 nan 8.210 nan 0.000 0.553 235 R N 3.867 124.430 120.500 0.104 0.000 2.621 235 R HA 0.379 4.719 4.340 0.000 0.000 0.292 235 R C -0.473 175.945 176.300 0.198 0.000 0.969 235 R CA -0.678 55.508 56.100 0.143 0.000 0.887 235 R CB 1.954 32.201 30.300 -0.089 0.000 1.180 235 R HN 0.540 nan 8.270 nan 0.000 0.450 236 S N 1.527 117.352 115.700 0.208 0.000 2.510 236 S HA 0.502 4.972 4.470 0.000 0.000 0.279 236 S C -0.416 174.230 174.600 0.076 0.000 1.284 236 S CA -0.244 57.982 58.200 0.044 0.000 1.059 236 S CB 1.182 64.324 63.200 -0.096 0.000 0.901 236 S HN 0.679 nan 8.310 nan 0.000 0.491 237 A N 3.235 126.099 122.820 0.073 0.000 2.609 237 A HA 0.858 5.178 4.320 0.000 0.000 0.291 237 A C -1.254 176.439 177.584 0.182 0.000 1.096 237 A CA -0.680 51.414 52.037 0.095 0.000 0.684 237 A CB 1.219 20.359 19.000 0.234 0.000 1.282 237 A HN 0.794 nan 8.150 nan 0.000 0.412 238 I N 0.098 120.638 120.570 -0.049 0.000 2.802 238 I HA 0.653 4.823 4.170 0.000 0.000 0.298 238 I C -1.293 174.664 176.117 -0.267 0.000 1.176 238 I CA -0.231 60.989 61.300 -0.134 0.000 1.025 238 I CB 2.493 40.434 38.000 -0.098 0.000 1.243 238 I HN 0.581 nan 8.210 nan 0.000 0.424 239 T N 6.104 120.443 114.554 -0.360 0.000 2.833 239 T HA 0.368 4.718 4.350 0.000 0.000 0.297 239 T C -0.634 173.792 174.700 -0.458 0.000 1.015 239 T CA -0.324 61.534 62.100 -0.404 0.000 0.963 239 T CB 1.241 69.797 68.868 -0.521 0.000 0.955 239 T HN 0.263 nan 8.240 nan 0.000 0.449 240 V N 5.254 124.899 119.914 -0.447 0.000 2.389 240 V HA 0.385 4.505 4.120 0.000 0.000 0.264 240 V C -0.137 175.686 176.094 -0.453 0.000 1.049 240 V CA -0.499 61.569 62.300 -0.387 0.000 0.932 240 V CB -0.540 31.013 31.823 -0.450 0.000 1.011 240 V HN 0.691 nan 8.190 nan 0.000 0.475 241 F N 5.571 125.453 119.950 -0.113 0.000 2.375 241 F HA 0.469 4.996 4.527 0.000 0.000 0.317 241 F C -1.769 173.938 175.800 -0.154 0.000 1.124 241 F CA -2.479 55.404 58.000 -0.195 0.000 1.050 241 F CB 0.277 39.194 39.000 -0.138 0.000 1.314 241 F HN 0.303 nan 8.300 nan 0.000 0.511 242 P HA -0.048 nan 4.420 nan 0.000 0.261 242 P C -1.025 176.238 177.300 -0.062 0.000 1.173 242 P CA 0.079 63.017 63.100 -0.270 0.000 0.760 242 P CB 0.107 31.371 31.700 -0.726 0.000 0.783 243 Q N 3.284 123.014 119.800 -0.117 0.000 2.524 243 Q HA 0.052 4.392 4.340 0.000 0.000 0.246 243 Q C 0.215 176.072 176.000 -0.239 0.000 1.063 243 Q CA -0.472 55.001 55.803 -0.551 0.000 0.945 243 Q CB 0.611 28.705 28.738 -1.073 0.000 1.292 243 Q HN 0.341 nan 8.270 nan 0.000 0.518 244 R N 0.972 121.326 120.500 -0.244 0.000 2.489 244 R HA 0.024 4.364 4.340 0.000 0.000 0.287 244 R C 0.202 176.455 176.300 -0.079 0.000 1.053 244 R CA 0.672 56.727 56.100 -0.076 0.000 1.036 244 R CB 0.597 30.854 30.300 -0.071 0.000 0.966 244 R HN 0.931 nan 8.270 nan 0.000 0.432 245 S N 2.864 118.570 115.700 0.009 0.000 2.650 245 S HA -0.059 4.411 4.470 0.000 0.000 0.182 245 S C 1.044 175.653 174.600 0.015 0.000 0.832 245 S CA 0.408 58.618 58.200 0.017 0.000 0.860 245 S CB -0.129 63.117 63.200 0.078 0.000 0.818 245 S HN 0.836 nan 8.310 nan 0.000 0.600 246 D N -0.159 120.260 120.400 0.031 0.000 2.324 246 D HA 0.288 4.928 4.640 0.000 0.000 0.212 246 D C 1.541 177.818 176.300 -0.037 0.000 0.984 246 D CA 1.180 55.176 54.000 -0.006 0.000 0.885 246 D CB 0.073 40.865 40.800 -0.014 0.000 0.996 246 D HN 0.762 nan 8.370 nan 0.000 0.505 247 G N 0.960 109.737 108.800 -0.040 0.000 2.617 247 G HA2 -0.222 3.738 3.960 0.000 0.000 0.197 247 G HA3 -0.222 3.738 3.960 0.000 0.000 0.197 247 G C 1.141 175.997 174.900 -0.074 0.000 1.017 247 G CA 0.111 45.183 45.100 -0.046 0.000 0.713 247 G HN 0.307 nan 8.290 nan 0.000 0.481 248 K N 0.128 120.422 120.400 -0.177 0.000 2.426 248 K HA 0.216 4.536 4.320 0.000 0.000 0.193 248 K C 0.437 176.870 176.600 -0.278 0.000 1.028 248 K CA 0.378 56.505 56.287 -0.266 0.000 1.047 248 K CB 0.128 32.389 32.500 -0.397 0.000 0.821 248 K HN 0.586 nan 8.250 nan 0.000 0.513 249 H N 0.939 120.013 119.070 0.008 0.000 2.505 249 H HA 0.157 4.713 4.556 0.000 0.000 0.260 249 H C -0.913 174.436 175.328 0.035 0.000 1.232 249 H CA -0.783 55.267 56.048 0.003 0.000 0.991 249 H CB 0.371 30.151 29.762 0.031 0.000 1.729 249 H HN -0.000 nan 8.280 nan 0.000 0.561 250 D N 0.569 121.039 120.400 0.117 0.000 2.345 250 D HA 0.048 4.688 4.640 0.000 0.000 0.247 250 D C -0.154 176.185 176.300 0.065 0.000 1.108 250 D CA 0.149 54.236 54.000 0.144 0.000 0.894 250 D CB 0.913 41.777 40.800 0.106 0.000 1.203 250 D HN 0.176 nan 8.370 nan 0.000 0.430 251 F N 2.180 122.168 119.950 0.064 0.000 2.405 251 F HA 0.357 4.884 4.527 0.000 0.000 0.355 251 F C 0.818 176.628 175.800 0.017 0.000 1.121 251 F CA -0.390 57.620 58.000 0.017 0.000 1.112 251 F CB 0.822 39.827 39.000 0.009 0.000 1.126 251 F HN -0.171 nan 8.300 nan 0.000 0.481 252 R N 3.800 124.371 120.500 0.118 0.000 2.604 252 R HA 0.500 4.840 4.340 0.000 0.000 0.281 252 R C -1.660 174.762 176.300 0.205 0.000 1.020 252 R CA -1.120 55.081 56.100 0.167 0.000 0.899 252 R CB 2.219 32.655 30.300 0.226 0.000 1.205 252 R HN 0.473 nan 8.270 nan 0.000 0.450 253 L N 1.905 123.228 121.223 0.167 0.000 2.275 253 L HA 0.347 4.687 4.340 0.000 0.000 0.288 253 L C 0.654 177.730 176.870 0.343 0.000 1.046 253 L CA -0.046 54.902 54.840 0.181 0.000 0.805 253 L CB 0.677 42.781 42.059 0.074 0.000 1.193 253 L HN 0.571 nan 8.230 nan 0.000 0.426 254 W N 0.797 122.141 121.300 0.074 0.000 3.139 254 W HA 0.110 4.770 4.660 0.000 0.000 0.260 254 W C 0.509 177.025 176.519 -0.004 0.000 1.312 254 W CA -0.637 56.812 57.345 0.174 0.000 1.606 254 W CB -0.946 28.750 29.460 0.394 0.000 1.118 254 W HN 0.498 nan 8.180 nan 0.000 0.675 255 N N -0.737 118.019 118.700 0.092 0.000 2.467 255 N HA 0.072 4.812 4.740 0.000 0.000 0.262 255 N C 1.202 176.557 175.510 -0.258 0.000 1.234 255 N CA 0.339 53.224 53.050 -0.275 0.000 0.952 255 N CB 0.781 39.242 38.487 -0.043 0.000 1.158 255 N HN -0.308 nan 8.380 nan 0.000 0.463 256 S N -0.266 115.241 115.700 -0.322 0.000 2.355 256 S HA -0.108 4.362 4.470 0.000 0.000 0.222 256 S C 0.377 174.903 174.600 -0.124 0.000 1.031 256 S CA 1.093 59.191 58.200 -0.169 0.000 0.993 256 S CB -0.283 62.851 63.200 -0.109 0.000 0.859 256 S HN 0.764 nan 8.310 nan 0.000 0.453 257 Q N -1.145 118.580 119.800 -0.125 0.000 2.511 257 Q HA 0.467 4.807 4.340 0.000 0.000 0.289 257 Q C -0.147 175.776 176.000 -0.128 0.000 1.021 257 Q CA -0.910 54.818 55.803 -0.124 0.000 0.785 257 Q CB 0.638 29.328 28.738 -0.080 0.000 1.472 257 Q HN -0.112 nan 8.270 nan 0.000 0.411 258 L N 0.636 121.793 121.223 -0.110 0.000 1.965 258 L HA -0.072 4.268 4.340 0.000 0.000 0.226 258 L C 0.946 177.716 176.870 -0.166 0.000 1.083 258 L CA 1.917 56.709 54.840 -0.080 0.000 0.790 258 L CB -0.615 41.428 42.059 -0.026 0.000 0.898 258 L HN 0.671 nan 8.230 nan 0.000 0.439 259 I N -1.053 119.325 120.570 -0.320 0.000 2.385 259 I HA 0.391 4.561 4.170 0.000 0.000 0.294 259 I C -0.012 175.502 176.117 -1.005 0.000 0.988 259 I CA -0.440 60.489 61.300 -0.619 0.000 1.265 259 I CB 1.329 38.890 38.000 -0.731 0.000 1.388 259 I HN 0.136 nan 8.210 nan 0.000 0.480 260 R N 4.591 124.586 120.500 -0.841 0.000 2.644 260 R HA 0.378 4.718 4.340 0.000 0.000 0.257 260 R C -1.895 174.195 176.300 -0.351 0.000 1.082 260 R CA -0.739 54.993 56.100 -0.615 0.000 0.927 260 R CB 0.846 31.017 30.300 -0.215 0.000 1.258 260 R HN 0.300 nan 8.270 nan 0.000 0.459 261 Y N 1.437 121.751 120.300 0.024 0.000 2.301 261 Y HA 0.628 5.178 4.550 0.000 0.000 0.328 261 Y C 0.962 176.882 175.900 0.033 0.000 1.242 261 Y CA -0.162 57.993 58.100 0.091 0.000 1.323 261 Y CB 1.120 39.733 38.460 0.255 0.000 1.266 261 Y HN 0.714 nan 8.280 nan 0.000 0.527 262 A N 1.045 123.958 122.820 0.154 0.000 2.322 262 A HA 0.715 5.035 4.320 0.000 0.000 0.269 262 A C 0.333 177.723 177.584 -0.323 0.000 1.094 262 A CA 0.125 52.066 52.037 -0.160 0.000 0.807 262 A CB 0.019 18.884 19.000 -0.225 0.000 1.047 262 A HN 0.918 nan 8.150 nan 0.000 0.487 263 G N 0.283 108.787 108.800 -0.493 0.000 2.723 263 G HA2 0.585 4.545 3.960 0.000 0.000 0.295 263 G HA3 0.585 4.545 3.960 0.000 0.000 0.295 263 G C -1.280 173.364 174.900 -0.427 0.000 1.464 263 G CA -0.296 44.575 45.100 -0.381 0.000 1.012 263 G HN 0.542 nan 8.290 nan 0.000 0.522 264 Y N 0.026 120.366 120.300 0.066 0.000 2.524 264 Y HA 0.585 5.135 4.550 0.000 0.000 0.344 264 Y C 0.389 176.345 175.900 0.093 0.000 1.012 264 Y CA -1.301 56.855 58.100 0.094 0.000 1.068 264 Y CB 2.260 40.817 38.460 0.161 0.000 1.249 264 Y HN 0.462 nan 8.280 nan 0.000 0.468 265 Q N 3.052 123.002 119.800 0.250 0.000 2.503 265 Q HA 0.312 4.652 4.340 0.000 0.000 0.227 265 Q C -0.762 175.328 176.000 0.150 0.000 1.109 265 Q CA -0.687 55.209 55.803 0.156 0.000 0.922 265 Q CB 0.322 29.123 28.738 0.104 0.000 1.249 265 Q HN 0.544 nan 8.270 nan 0.000 0.530 266 M N 4.212 123.892 119.600 0.134 0.000 2.247 266 M HA -0.021 4.459 4.480 0.000 0.000 0.318 266 M C -1.376 174.942 176.300 0.030 0.000 1.054 266 M CA -1.413 53.928 55.300 0.069 0.000 1.117 266 M CB -0.458 32.170 32.600 0.046 0.000 1.515 266 M HN 0.464 nan 8.290 nan 0.000 0.442 267 P HA -0.178 nan 4.420 nan 0.000 0.215 267 P C 0.344 177.640 177.300 -0.007 0.000 1.153 267 P CA 1.514 64.604 63.100 -0.017 0.000 0.853 267 P CB -0.309 31.361 31.700 -0.049 0.000 0.788 268 D N -0.881 119.513 120.400 -0.009 0.000 2.396 268 D HA 0.017 4.657 4.640 0.000 0.000 0.255 268 D C 1.411 177.716 176.300 0.009 0.000 1.224 268 D CA 0.768 54.767 54.000 -0.003 0.000 0.894 268 D CB -0.915 39.881 40.800 -0.007 0.000 0.939 268 D HN 0.299 nan 8.370 nan 0.000 0.506 269 G N 0.961 109.770 108.800 0.015 0.000 2.377 269 G HA2 -0.396 3.564 3.960 0.000 0.000 0.250 269 G HA3 -0.396 3.564 3.960 0.000 0.000 0.250 269 G C 0.823 175.740 174.900 0.030 0.000 1.039 269 G CA 0.976 46.090 45.100 0.022 0.000 0.625 269 G HN 0.716 nan 8.290 nan 0.000 0.526 270 T N -0.736 113.836 114.554 0.030 0.000 2.681 270 T HA 0.589 4.939 4.350 0.000 0.000 0.333 270 T C 0.496 175.226 174.700 0.051 0.000 1.049 270 T CA 0.465 62.587 62.100 0.037 0.000 1.002 270 T CB 1.089 69.978 68.868 0.033 0.000 1.161 270 T HN 0.853 nan 8.240 nan 0.000 0.519 271 I N -0.008 120.593 120.570 0.051 0.000 2.571 271 I HA 0.423 4.593 4.170 0.000 0.000 0.289 271 I C 0.053 176.204 176.117 0.057 0.000 1.115 271 I CA -0.834 60.503 61.300 0.062 0.000 1.045 271 I CB 2.321 40.341 38.000 0.034 0.000 1.238 271 I HN 0.560 nan 8.210 nan 0.000 0.424 272 R N 2.924 123.494 120.500 0.118 0.000 2.598 272 R HA 0.739 5.079 4.340 0.000 0.000 0.279 272 R C 0.522 176.853 176.300 0.052 0.000 0.984 272 R CA 0.520 56.691 56.100 0.120 0.000 0.999 272 R CB 1.828 32.267 30.300 0.232 0.000 1.114 272 R HN 0.919 nan 8.270 nan 0.000 0.493 273 G N 1.965 110.738 108.800 -0.046 0.000 2.528 273 G HA2 -0.288 3.672 3.960 0.000 0.000 0.262 273 G HA3 -0.288 3.672 3.960 0.000 0.000 0.262 273 G C -0.809 173.755 174.900 -0.559 0.000 1.200 273 G CA 0.077 45.090 45.100 -0.144 0.000 0.951 273 G HN 0.613 nan 8.290 nan 0.000 0.566 274 D N 1.796 122.022 120.400 -0.290 0.000 2.393 274 D HA 0.583 5.223 4.640 0.000 0.000 0.232 274 D C 1.469 177.693 176.300 -0.126 0.000 1.192 274 D CA 0.769 54.612 54.000 -0.262 0.000 0.882 274 D CB 0.682 41.639 40.800 0.262 0.000 1.038 274 D HN 0.897 nan 8.370 nan 0.000 0.499 275 A N 3.724 126.451 122.820 -0.156 0.000 2.131 275 A HA -0.092 4.228 4.320 0.000 0.000 0.220 275 A C 2.047 179.648 177.584 0.029 0.000 1.158 275 A CA 1.667 53.677 52.037 -0.045 0.000 0.665 275 A CB -0.184 18.799 19.000 -0.027 0.000 0.795 275 A HN 0.606 nan 8.150 nan 0.000 0.460 276 A N -0.236 122.625 122.820 0.067 0.000 1.930 276 A HA -0.036 4.284 4.320 0.000 0.000 0.217 276 A C 2.083 179.736 177.584 0.114 0.000 1.175 276 A CA 1.953 54.060 52.037 0.116 0.000 0.627 276 A CB -1.015 18.078 19.000 0.154 0.000 0.815 276 A HN 0.817 nan 8.150 nan 0.000 0.443 277 T N -2.313 112.300 114.554 0.099 0.000 3.330 277 T HA 0.438 4.788 4.350 0.000 0.000 0.249 277 T C 1.217 175.947 174.700 0.050 0.000 0.980 277 T CA -0.077 62.087 62.100 0.107 0.000 0.920 277 T CB -0.303 68.642 68.868 0.128 0.000 1.065 277 T HN 0.249 nan 8.240 nan 0.000 0.588 278 L N 0.492 121.733 121.223 0.031 0.000 1.976 278 L HA -0.048 4.292 4.340 0.000 0.000 0.209 278 L C 2.998 179.862 176.870 -0.010 0.000 1.071 278 L CA 1.902 56.740 54.840 -0.003 0.000 0.746 278 L CB -0.364 41.708 42.059 0.021 0.000 0.890 278 L HN 0.436 nan 8.230 nan 0.000 0.432 279 E N -0.363 119.847 120.200 0.015 0.000 2.077 279 E HA -0.290 4.060 4.350 0.000 0.000 0.193 279 E C 2.158 178.677 176.600 -0.135 0.000 0.989 279 E CA 1.439 57.817 56.400 -0.037 0.000 0.800 279 E CB -0.114 29.592 29.700 0.010 0.000 0.746 279 E HN 0.376 nan 8.360 nan 0.000 0.452 280 F N 1.326 121.108 119.950 -0.280 0.000 2.234 280 F HA -0.116 4.411 4.527 0.000 0.000 0.299 280 F C 2.247 177.883 175.800 -0.273 0.000 1.087 280 F CA 1.664 59.432 58.000 -0.387 0.000 1.340 280 F CB -0.489 38.355 39.000 -0.259 0.000 1.031 280 F HN -0.052 nan 8.300 nan 0.000 0.500 281 T N -0.226 114.184 114.554 -0.241 0.000 2.746 281 T HA -0.247 4.103 4.350 0.000 0.000 0.267 281 T C 1.768 176.330 174.700 -0.229 0.000 1.039 281 T CA 1.631 63.536 62.100 -0.326 0.000 1.142 281 T CB -0.327 68.383 68.868 -0.264 0.000 0.866 281 T HN 0.242 nan 8.240 nan 0.000 0.444 282 Q N 0.760 120.469 119.800 -0.152 0.000 2.170 282 Q HA -0.047 4.293 4.340 0.000 0.000 0.203 282 Q C 2.062 177.976 176.000 -0.143 0.000 0.976 282 Q CA 1.142 56.893 55.803 -0.087 0.000 0.858 282 Q CB -0.705 27.998 28.738 -0.058 0.000 0.907 282 Q HN 0.443 nan 8.270 nan 0.000 0.433 283 L N -0.498 120.566 121.223 -0.266 0.000 2.046 283 L HA -0.160 4.180 4.340 0.000 0.000 0.208 283 L C 2.096 178.819 176.870 -0.246 0.000 1.077 283 L CA 1.816 56.497 54.840 -0.266 0.000 0.747 283 L CB -0.911 40.920 42.059 -0.380 0.000 0.896 283 L HN 0.382 nan 8.230 nan 0.000 0.432 284 C N -0.404 118.659 119.300 -0.395 0.000 2.429 284 C HA -0.137 4.323 4.460 0.000 0.000 0.277 284 C C 2.692 177.689 174.990 0.011 0.000 1.262 284 C CA 0.428 59.269 59.018 -0.295 0.000 1.733 284 C CB -1.011 26.383 27.740 -0.577 0.000 2.010 284 C HN 0.561 nan 8.230 nan 0.000 0.483 285 I N 1.673 122.283 120.570 0.066 0.000 2.208 285 I HA -0.166 4.004 4.170 0.000 0.000 0.245 285 I C 2.028 178.163 176.117 0.030 0.000 1.097 285 I CA 1.830 63.196 61.300 0.110 0.000 1.363 285 I CB -1.532 36.522 38.000 0.090 0.000 1.051 285 I HN 0.353 nan 8.210 nan 0.000 0.413 286 D N 0.715 121.105 120.400 -0.018 0.000 2.178 286 D HA -0.094 4.546 4.640 0.000 0.000 0.201 286 D C 1.928 178.206 176.300 -0.037 0.000 0.980 286 D CA 0.872 54.847 54.000 -0.040 0.000 0.842 286 D CB -0.131 40.626 40.800 -0.071 0.000 0.948 286 D HN 0.329 nan 8.370 nan 0.000 0.472 287 L N -0.350 120.858 121.223 -0.025 0.000 2.688 287 L HA 0.265 4.605 4.340 0.000 0.000 0.234 287 L C 1.071 177.937 176.870 -0.006 0.000 1.192 287 L CA -0.034 54.795 54.840 -0.017 0.000 0.984 287 L CB -0.291 41.749 42.059 -0.032 0.000 1.232 287 L HN 0.048 nan 8.230 nan 0.000 0.465 288 G N -0.458 108.347 108.800 0.009 0.000 2.160 288 G HA2 -0.306 3.654 3.960 0.000 0.000 0.244 288 G HA3 -0.306 3.654 3.960 0.000 0.000 0.244 288 G C -0.260 174.668 174.900 0.046 0.000 1.022 288 G CA -0.193 44.911 45.100 0.006 0.000 0.741 288 G HN 0.466 nan 8.290 nan 0.000 0.508 289 W N 1.565 122.802 121.300 -0.106 0.000 2.261 289 W HA 0.630 5.291 4.660 0.000 0.000 0.323 289 W C 0.385 176.857 176.519 -0.078 0.000 1.243 289 W CA -1.128 56.156 57.345 -0.102 0.000 1.210 289 W CB 0.729 30.114 29.460 -0.124 0.000 1.149 289 W HN 0.006 nan 8.180 nan 0.000 0.562 290 K N 8.164 128.070 120.400 -0.823 0.000 2.220 290 K HA 0.159 4.479 4.320 0.000 0.000 0.283 290 K C -2.323 173.505 176.600 -1.286 0.000 1.098 290 K CA -1.582 54.243 56.287 -0.770 0.000 0.928 290 K CB 0.168 32.370 32.500 -0.497 0.000 1.214 290 K HN 0.321 nan 8.250 nan 0.000 0.442 291 P HA 0.177 nan 4.420 nan 0.000 0.269 291 P C -0.144 176.717 177.300 -0.731 0.000 1.252 291 P CA -0.258 62.233 63.100 -1.014 0.000 0.780 291 P CB 0.630 31.815 31.700 -0.857 0.000 0.829 292 R N 2.100 122.305 120.500 -0.492 0.000 2.323 292 R HA 0.056 4.396 4.340 0.000 0.000 0.198 292 R C -0.042 176.204 176.300 -0.090 0.000 0.988 292 R CA -0.075 55.912 56.100 -0.188 0.000 1.041 292 R CB -1.066 29.203 30.300 -0.052 0.000 0.926 292 R HN 0.426 nan 8.270 nan 0.000 0.476 293 Y N -0.617 119.424 120.300 -0.431 0.000 2.845 293 Y HA -0.233 4.317 4.550 0.000 0.000 0.144 293 Y C 0.811 176.603 175.900 -0.180 0.000 1.742 293 Y CA 0.787 58.478 58.100 -0.682 0.000 1.074 293 Y CB -1.367 36.763 38.460 -0.551 0.000 1.682 293 Y HN 0.313 nan 8.280 nan 0.000 0.320 294 G N 1.275 110.210 108.800 0.225 0.000 2.663 294 G HA2 0.555 4.515 3.960 0.000 0.000 0.299 294 G HA3 0.555 4.515 3.960 0.000 0.000 0.299 294 G C 0.054 175.070 174.900 0.194 0.000 1.372 294 G CA -0.884 44.331 45.100 0.192 0.000 0.781 294 G HN 0.254 nan 8.290 nan 0.000 0.491 295 R N -1.243 119.245 120.500 -0.020 0.000 2.100 295 R HA 0.155 4.495 4.340 0.000 0.000 0.220 295 R C 0.004 175.955 176.300 -0.582 0.000 1.091 295 R CA 1.033 56.940 56.100 -0.322 0.000 0.986 295 R CB -0.005 29.923 30.300 -0.620 0.000 0.888 295 R HN 0.296 nan 8.270 nan 0.000 0.444 296 F N 1.255 121.179 119.950 -0.043 0.000 2.449 296 F HA 0.286 4.813 4.527 0.000 0.000 0.329 296 F C -0.811 174.963 175.800 -0.042 0.000 1.245 296 F CA -1.164 56.576 58.000 -0.433 0.000 1.193 296 F CB 0.742 39.336 39.000 -0.676 0.000 1.425 296 F HN -0.297 nan 8.300 nan 0.000 0.544 297 D N 1.797 122.385 120.400 0.313 0.000 2.392 297 D HA 0.238 4.878 4.640 0.000 0.000 0.228 297 D C -0.010 176.568 176.300 0.464 0.000 1.074 297 D CA -0.123 54.122 54.000 0.408 0.000 0.838 297 D CB 2.469 43.557 40.800 0.480 0.000 1.067 297 D HN -0.008 nan 8.370 nan 0.000 0.511 298 V N 3.713 123.875 119.914 0.413 0.000 2.509 298 V HA -0.056 4.064 4.120 0.000 0.000 0.297 298 V C 1.160 177.336 176.094 0.136 0.000 1.014 298 V CA -0.022 62.418 62.300 0.234 0.000 1.127 298 V CB -0.023 31.889 31.823 0.149 0.000 0.925 298 V HN 0.366 nan 8.190 nan 0.000 0.480 299 L N 8.334 129.530 121.223 -0.046 0.000 2.473 299 L HA 0.293 4.633 4.340 0.000 0.000 0.268 299 L C -1.641 175.081 176.870 -0.247 0.000 1.215 299 L CA -1.260 53.404 54.840 -0.293 0.000 0.823 299 L CB 0.767 42.706 42.059 -0.201 0.000 1.099 299 L HN 0.491 nan 8.230 nan 0.000 0.483 300 P HA 0.112 nan 4.420 nan 0.000 0.281 300 P C -0.986 176.264 177.300 -0.083 0.000 1.249 300 P CA -0.682 62.269 63.100 -0.249 0.000 0.810 300 P CB 1.239 32.644 31.700 -0.493 0.000 1.008 301 L N 2.918 124.176 121.223 0.059 0.000 2.361 301 L HA 0.148 4.488 4.340 0.000 0.000 0.278 301 L C -0.000 176.946 176.870 0.127 0.000 1.113 301 L CA -0.058 54.867 54.840 0.141 0.000 0.849 301 L CB 0.460 42.659 42.059 0.234 0.000 1.155 301 L HN 0.115 nan 8.230 nan 0.000 0.452 302 V N 6.550 126.550 119.914 0.144 0.000 2.328 302 V HA 0.463 4.583 4.120 0.000 0.000 0.278 302 V C -0.293 175.797 176.094 -0.005 0.000 1.021 302 V CA -0.598 61.721 62.300 0.032 0.000 0.838 302 V CB 1.346 33.240 31.823 0.118 0.000 0.999 302 V HN 0.434 nan 8.190 nan 0.000 0.447 303 L N 5.349 126.529 121.223 -0.073 0.000 2.381 303 L HA 0.672 5.012 4.340 0.000 0.000 0.268 303 L C -0.290 176.450 176.870 -0.217 0.000 0.997 303 L CA -0.554 54.233 54.840 -0.088 0.000 0.818 303 L CB 2.098 44.166 42.059 0.015 0.000 1.310 303 L HN 0.787 nan 8.230 nan 0.000 0.416 304 Q N 1.506 121.174 119.800 -0.221 0.000 2.325 304 Q HA 0.917 5.257 4.340 0.000 0.000 0.270 304 Q C -1.154 174.670 176.000 -0.294 0.000 1.020 304 Q CA -0.827 54.823 55.803 -0.255 0.000 0.785 304 Q CB 2.278 30.869 28.738 -0.245 0.000 1.259 304 Q HN 0.689 nan 8.270 nan 0.000 0.452 305 A N 2.565 125.170 122.820 -0.358 0.000 2.317 305 A HA 0.506 4.826 4.320 0.000 0.000 0.327 305 A C -0.233 176.878 177.584 -0.788 0.000 1.178 305 A CA -0.398 51.209 52.037 -0.717 0.000 0.817 305 A CB 0.761 19.572 19.000 -0.315 0.000 1.189 305 A HN 0.978 nan 8.150 nan 0.000 0.489 306 D N 1.142 120.688 120.400 -1.424 0.000 2.720 306 D HA -0.124 4.517 4.640 0.000 0.000 0.229 306 D C 1.336 177.535 176.300 -0.168 0.000 1.198 306 D CA 2.718 56.375 54.000 -0.571 0.000 0.639 306 D CB -1.043 39.580 40.800 -0.295 0.000 1.003 306 D HN 1.942 nan 8.370 nan 0.000 0.411 307 G N -0.658 108.069 108.800 -0.122 0.000 2.302 307 G HA2 -0.393 3.567 3.960 0.000 0.000 0.263 307 G HA3 -0.393 3.567 3.960 0.000 0.000 0.263 307 G C 0.412 175.330 174.900 0.030 0.000 0.995 307 G CA 0.655 45.779 45.100 0.040 0.000 0.622 307 G HN 0.580 nan 8.290 nan 0.000 0.538 308 Q N 1.475 121.238 119.800 -0.061 0.000 2.540 308 Q HA 0.216 4.556 4.340 0.000 0.000 0.256 308 Q C 0.338 176.285 176.000 -0.088 0.000 1.084 308 Q CA 0.219 55.977 55.803 -0.075 0.000 0.956 308 Q CB 0.287 28.960 28.738 -0.108 0.000 1.303 308 Q HN 0.531 nan 8.270 nan 0.000 0.509 309 D N 2.372 122.691 120.400 -0.134 0.000 2.399 309 D HA 0.128 4.768 4.640 0.000 0.000 0.241 309 D C -1.966 174.087 176.300 -0.411 0.000 1.133 309 D CA -0.937 52.881 54.000 -0.303 0.000 0.890 309 D CB 0.121 40.733 40.800 -0.313 0.000 1.201 309 D HN 0.259 nan 8.370 nan 0.000 0.432 310 P HA 0.053 nan 4.420 nan 0.000 0.268 310 P C -0.661 176.384 177.300 -0.425 0.000 1.205 310 P CA 0.112 62.785 63.100 -0.711 0.000 0.771 310 P CB 0.935 31.803 31.700 -1.387 0.000 0.858 311 E N 1.169 121.178 120.200 -0.319 0.000 2.176 311 E HA 0.320 4.670 4.350 0.000 0.000 0.267 311 E C -0.564 175.784 176.600 -0.421 0.000 0.893 311 E CA -1.147 55.045 56.400 -0.347 0.000 0.761 311 E CB 1.877 31.384 29.700 -0.322 0.000 1.133 311 E HN 0.192 nan 8.360 nan 0.000 0.409 312 V N 4.045 123.675 119.914 -0.473 0.000 2.555 312 V HA 0.197 4.317 4.120 0.000 0.000 0.286 312 V C -0.515 175.202 176.094 -0.629 0.000 1.044 312 V CA 0.148 62.222 62.300 -0.377 0.000 1.026 312 V CB -0.215 31.477 31.823 -0.218 0.000 0.981 312 V HN 0.512 nan 8.190 nan 0.000 0.480 313 F N 2.220 122.020 119.950 -0.250 0.000 2.536 313 F HA 0.433 4.960 4.527 0.000 0.000 0.322 313 F C 0.160 175.840 175.800 -0.200 0.000 1.144 313 F CA -0.853 56.884 58.000 -0.438 0.000 0.924 313 F CB 1.730 40.152 39.000 -0.963 0.000 1.181 313 F HN 0.420 nan 8.300 nan 0.000 0.438 314 E N 3.611 123.852 120.200 0.067 0.000 2.324 314 E HA 0.264 4.614 4.350 0.000 0.000 0.271 314 E C -0.480 176.285 176.600 0.275 0.000 1.028 314 E CA 0.085 56.597 56.400 0.188 0.000 0.890 314 E CB 0.457 30.264 29.700 0.179 0.000 1.004 314 E HN 0.430 nan 8.360 nan 0.000 0.431 315 I N 7.103 127.833 120.570 0.267 0.000 2.452 315 I HA 0.145 4.315 4.170 0.000 0.000 0.287 315 I C -1.798 174.447 176.117 0.214 0.000 1.079 315 I CA -2.011 59.459 61.300 0.284 0.000 1.387 315 I CB 0.659 38.762 38.000 0.172 0.000 1.404 315 I HN 0.410 nan 8.210 nan 0.000 0.522 316 P HA 0.036 nan 4.420 nan 0.000 0.256 316 P C -1.948 175.406 177.300 0.089 0.000 1.189 316 P CA -0.713 62.467 63.100 0.133 0.000 0.808 316 P CB 0.078 31.829 31.700 0.085 0.000 0.793 317 P HA -0.238 nan 4.420 nan 0.000 0.218 317 P C 0.866 178.198 177.300 0.053 0.000 1.150 317 P CA 1.427 64.573 63.100 0.078 0.000 0.841 317 P CB -0.030 31.719 31.700 0.081 0.000 0.784 318 D N -1.349 119.076 120.400 0.042 0.000 2.309 318 D HA -0.070 4.570 4.640 0.000 0.000 0.212 318 D C 1.706 178.014 176.300 0.014 0.000 0.968 318 D CA 0.883 54.898 54.000 0.025 0.000 0.882 318 D CB -0.138 40.673 40.800 0.018 0.000 0.918 318 D HN 0.289 nan 8.370 nan 0.000 0.503 319 L N 0.077 121.310 121.223 0.016 0.000 2.416 319 L HA 0.056 4.396 4.340 0.000 0.000 0.216 319 L C 0.638 177.512 176.870 0.008 0.000 1.098 319 L CA 0.113 54.955 54.840 0.003 0.000 0.840 319 L CB 0.562 42.615 42.059 -0.009 0.000 0.981 319 L HN -0.237 nan 8.230 nan 0.000 0.462 320 V N 2.631 122.558 119.914 0.022 0.000 2.338 320 V HA 0.081 4.201 4.120 0.000 0.000 0.255 320 V C 0.042 176.157 176.094 0.034 0.000 1.082 320 V CA -0.341 61.974 62.300 0.026 0.000 0.951 320 V CB 0.723 32.568 31.823 0.036 0.000 1.102 320 V HN 0.062 nan 8.190 nan 0.000 0.489 321 L N 5.934 127.175 121.223 0.030 0.000 2.319 321 L HA 0.488 4.828 4.340 0.000 0.000 0.280 321 L C 0.115 177.000 176.870 0.025 0.000 1.099 321 L CA 0.627 55.476 54.840 0.014 0.000 0.828 321 L CB 0.578 42.636 42.059 -0.001 0.000 1.150 321 L HN 0.648 nan 8.230 nan 0.000 0.442 322 E N 3.247 123.443 120.200 -0.006 0.000 2.320 322 E HA 0.633 4.983 4.350 0.000 0.000 0.264 322 E C -1.452 175.072 176.600 -0.128 0.000 0.923 322 E CA -1.064 55.324 56.400 -0.020 0.000 0.796 322 E CB 2.490 32.207 29.700 0.028 0.000 1.262 322 E HN 0.390 nan 8.360 nan 0.000 0.428 323 V N 1.775 121.579 119.914 -0.184 0.000 2.407 323 V HA 0.236 4.356 4.120 0.000 0.000 0.291 323 V C -0.340 175.677 176.094 -0.128 0.000 1.018 323 V CA -0.854 61.277 62.300 -0.282 0.000 0.842 323 V CB 1.516 32.899 31.823 -0.732 0.000 0.996 323 V HN 0.789 nan 8.190 nan 0.000 0.426 324 T N 4.200 118.695 114.554 -0.099 0.000 2.794 324 T HA 0.473 4.823 4.350 0.000 0.000 0.296 324 T C 0.025 174.730 174.700 0.009 0.000 0.949 324 T CA -0.734 61.332 62.100 -0.056 0.000 1.101 324 T CB 0.671 69.510 68.868 -0.049 0.000 0.905 324 T HN 0.313 nan 8.240 nan 0.000 0.516 325 M N 4.029 123.664 119.600 0.059 0.000 2.219 325 M HA 0.281 4.761 4.480 0.000 0.000 0.353 325 M C 0.473 176.926 176.300 0.255 0.000 1.304 325 M CA 0.065 55.481 55.300 0.193 0.000 1.115 325 M CB -0.336 32.419 32.600 0.257 0.000 1.664 325 M HN 0.939 nan 8.290 nan 0.000 0.459 326 E N 1.653 122.044 120.200 0.319 0.000 2.347 326 E HA 0.285 4.635 4.350 0.000 0.000 0.285 326 E C -1.248 175.469 176.600 0.195 0.000 0.925 326 E CA -0.813 55.784 56.400 0.328 0.000 0.779 326 E CB 1.326 31.137 29.700 0.186 0.000 1.233 326 E HN 0.593 nan 8.360 nan 0.000 0.414 327 H N 4.325 123.353 119.070 -0.070 0.000 2.683 327 H HA 0.154 4.710 4.556 0.000 0.000 0.339 327 H C -1.535 173.646 175.328 -0.246 0.000 1.081 327 H CA -1.778 54.044 56.048 -0.377 0.000 1.432 327 H CB 1.639 30.992 29.762 -0.681 0.000 1.462 327 H HN 0.486 nan 8.280 nan 0.000 0.557 328 P HA -0.042 nan 4.420 nan 0.000 0.242 328 P C 0.427 177.694 177.300 -0.054 0.000 1.197 328 P CA 0.827 63.660 63.100 -0.445 0.000 0.765 328 P CB 0.757 31.902 31.700 -0.926 0.000 0.936 329 K N -1.843 118.672 120.400 0.191 0.000 2.665 329 K HA 0.132 4.452 4.320 0.000 0.000 0.197 329 K C 0.206 176.916 176.600 0.183 0.000 1.463 329 K CA 0.412 56.802 56.287 0.171 0.000 1.107 329 K CB 0.125 32.764 32.500 0.232 0.000 1.584 329 K HN 0.059 nan 8.250 nan 0.000 0.558 330 Y N 3.611 123.656 120.300 -0.425 0.000 2.650 330 Y HA 0.190 4.740 4.550 0.000 0.000 0.343 330 Y C 1.261 176.870 175.900 -0.484 0.000 1.078 330 Y CA -0.882 56.853 58.100 -0.607 0.000 1.356 330 Y CB 0.356 38.087 38.460 -1.214 0.000 1.204 330 Y HN -0.030 nan 8.280 nan 0.000 0.508 331 E N 2.301 122.471 120.200 -0.050 0.000 2.265 331 E HA -0.196 4.155 4.350 0.000 0.000 0.196 331 E C 1.793 178.441 176.600 0.080 0.000 0.996 331 E CA 0.821 57.244 56.400 0.038 0.000 0.832 331 E CB -0.172 29.581 29.700 0.089 0.000 0.756 331 E HN 0.874 nan 8.360 nan 0.000 0.491 332 W N -0.699 120.694 121.300 0.156 0.000 2.699 332 W HA 0.013 4.673 4.660 0.000 0.000 0.249 332 W C 1.473 178.092 176.519 0.166 0.000 1.280 332 W CA -0.281 57.138 57.345 0.124 0.000 1.345 332 W CB -1.091 28.418 29.460 0.082 0.000 1.128 332 W HN -0.110 nan 8.180 nan 0.000 0.642 333 F N 2.639 122.316 119.950 -0.455 0.000 2.134 333 F HA -0.224 4.303 4.527 0.000 0.000 0.299 333 F C 2.998 178.762 175.800 -0.061 0.000 1.097 333 F CA 2.763 60.542 58.000 -0.369 0.000 1.264 333 F CB -0.748 37.987 39.000 -0.442 0.000 1.001 333 F HN -0.076 nan 8.300 nan 0.000 0.479 334 Q N 0.308 120.155 119.800 0.080 0.000 2.135 334 Q HA -0.260 4.080 4.340 0.000 0.000 0.204 334 Q C 1.910 177.915 176.000 0.008 0.000 0.981 334 Q CA 2.046 57.875 55.803 0.045 0.000 0.856 334 Q CB -0.275 28.510 28.738 0.078 0.000 0.902 334 Q HN 0.541 nan 8.270 nan 0.000 0.425 335 E N -0.148 120.088 120.200 0.060 0.000 2.333 335 E HA -0.181 4.169 4.350 0.000 0.000 0.198 335 E C 1.629 178.247 176.600 0.029 0.000 1.007 335 E CA 0.464 56.907 56.400 0.071 0.000 0.845 335 E CB 0.070 29.853 29.700 0.137 0.000 0.766 335 E HN 0.292 nan 8.360 nan 0.000 0.507 336 L N -0.312 120.881 121.223 -0.049 0.000 2.275 336 L HA 0.003 4.343 4.340 0.000 0.000 0.215 336 L C 1.501 178.329 176.870 -0.069 0.000 1.119 336 L CA 1.372 56.149 54.840 -0.105 0.000 0.790 336 L CB -0.707 41.152 42.059 -0.334 0.000 0.919 336 L HN 0.225 nan 8.230 nan 0.000 0.443 337 G N -0.071 108.695 108.800 -0.057 0.000 2.272 337 G HA2 -0.276 3.685 3.960 0.000 0.000 0.280 337 G HA3 -0.276 3.685 3.960 0.000 0.000 0.280 337 G C 0.129 175.056 174.900 0.044 0.000 1.067 337 G CA 0.192 45.299 45.100 0.012 0.000 0.902 337 G HN 0.271 nan 8.290 nan 0.000 0.500 338 L N -0.627 120.532 121.223 -0.107 0.000 2.360 338 L HA 0.829 5.169 4.340 0.000 0.000 0.271 338 L C 0.618 177.321 176.870 -0.279 0.000 1.057 338 L CA -0.622 54.106 54.840 -0.187 0.000 0.803 338 L CB 1.757 43.574 42.059 -0.404 0.000 1.207 338 L HN 0.545 nan 8.230 nan 0.000 0.445 339 K N 0.857 120.929 120.400 -0.547 0.000 2.607 339 K HA 0.489 4.809 4.320 0.000 0.000 0.287 339 K C -2.094 174.435 176.600 -0.118 0.000 0.996 339 K CA -1.068 55.020 56.287 -0.331 0.000 0.876 339 K CB 2.131 34.372 32.500 -0.432 0.000 1.496 339 K HN 0.568 nan 8.250 nan 0.000 0.415 340 W N 2.244 123.482 121.300 -0.103 0.000 3.213 340 W HA 0.319 4.979 4.660 0.000 0.000 0.318 340 W C -1.293 175.258 176.519 0.054 0.000 1.248 340 W CA -0.818 56.543 57.345 0.027 0.000 1.187 340 W CB 1.546 30.901 29.460 -0.175 0.000 1.403 340 W HN 0.697 nan 8.180 nan 0.000 0.556 341 Y N 1.365 121.536 120.300 -0.216 0.000 2.411 341 Y HA 0.451 5.001 4.550 0.000 0.000 0.333 341 Y C 0.841 176.921 175.900 0.299 0.000 1.186 341 Y CA 0.285 58.353 58.100 -0.053 0.000 1.381 341 Y CB 0.168 38.475 38.460 -0.255 0.000 1.273 341 Y HN 0.355 nan 8.280 nan 0.000 0.546 342 A N 3.143 126.181 122.820 0.363 0.000 2.119 342 A HA 0.089 4.409 4.320 0.000 0.000 0.216 342 A C 0.393 178.307 177.584 0.549 0.000 1.152 342 A CA 0.227 52.537 52.037 0.455 0.000 0.708 342 A CB -0.246 18.860 19.000 0.177 0.000 0.805 342 A HN 0.665 nan 8.150 nan 0.000 0.460 343 L N 1.625 123.129 121.223 0.468 0.000 2.276 343 L HA 0.418 4.758 4.340 0.000 0.000 0.286 343 L C -2.544 174.486 176.870 0.267 0.000 1.024 343 L CA -2.151 52.861 54.840 0.286 0.000 0.826 343 L CB 1.759 43.894 42.059 0.126 0.000 1.211 343 L HN -0.062 nan 8.230 nan 0.000 0.422 344 P HA 0.299 nan 4.420 nan 0.000 0.258 344 P C -1.279 175.929 177.300 -0.154 0.000 1.647 344 P CA -0.305 62.632 63.100 -0.273 0.000 1.099 344 P CB 1.048 32.167 31.700 -0.968 0.000 1.604 345 A N 4.470 127.239 122.820 -0.085 0.000 2.399 345 A HA 0.400 4.720 4.320 0.000 0.000 0.327 345 A C 0.098 177.529 177.584 -0.255 0.000 1.367 345 A CA -0.669 51.283 52.037 -0.141 0.000 0.842 345 A CB 0.535 19.511 19.000 -0.041 0.000 1.142 345 A HN 0.279 nan 8.150 nan 0.000 0.495 346 V N 2.277 121.896 119.914 -0.493 0.000 2.485 346 V HA 0.234 4.354 4.120 0.000 0.000 0.287 346 V C 1.312 177.012 176.094 -0.656 0.000 1.022 346 V CA 1.138 63.077 62.300 -0.602 0.000 1.067 346 V CB 0.647 31.974 31.823 -0.827 0.000 0.967 346 V HN 1.001 nan 8.190 nan 0.000 0.479 347 A N 4.209 126.827 122.820 -0.336 0.000 2.192 347 A HA 0.100 4.420 4.320 0.000 0.000 0.208 347 A C 1.409 178.921 177.584 -0.120 0.000 1.220 347 A CA 0.381 52.294 52.037 -0.206 0.000 0.900 347 A CB -0.132 18.809 19.000 -0.099 0.000 0.937 347 A HN 0.906 nan 8.150 nan 0.000 0.487 348 N N -0.703 117.930 118.700 -0.111 0.000 2.295 348 N HA 0.222 4.962 4.740 0.000 0.000 0.221 348 N C -0.052 175.468 175.510 0.016 0.000 1.129 348 N CA -0.185 52.839 53.050 -0.043 0.000 0.836 348 N CB 0.085 38.534 38.487 -0.064 0.000 1.040 348 N HN 0.328 nan 8.380 nan 0.000 0.494 349 M N 1.472 121.084 119.600 0.021 0.000 2.363 349 M HA 0.311 4.791 4.480 0.000 0.000 0.343 349 M C -0.592 175.835 176.300 0.212 0.000 1.165 349 M CA -0.804 54.576 55.300 0.133 0.000 1.046 349 M CB 2.715 35.417 32.600 0.170 0.000 1.648 349 M HN 0.136 nan 8.290 nan 0.000 0.452 350 L N 3.945 125.314 121.223 0.244 0.000 2.292 350 L HA 0.492 4.832 4.340 0.000 0.000 0.284 350 L C -1.215 175.861 176.870 0.342 0.000 1.065 350 L CA -0.881 54.120 54.840 0.267 0.000 0.806 350 L CB 0.964 43.146 42.059 0.205 0.000 1.175 350 L HN 0.625 nan 8.230 nan 0.000 0.431 351 L N 5.371 126.796 121.223 0.336 0.000 2.265 351 L HA 0.439 4.779 4.340 0.000 0.000 0.289 351 L C -0.384 176.635 176.870 0.248 0.000 1.033 351 L CA 0.230 55.207 54.840 0.228 0.000 0.814 351 L CB 1.104 43.254 42.059 0.151 0.000 1.203 351 L HN 0.615 nan 8.230 nan 0.000 0.423 352 E N 4.627 124.946 120.200 0.200 0.000 2.191 352 E HA 0.521 4.871 4.350 0.000 0.000 0.278 352 E C -1.808 174.824 176.600 0.053 0.000 0.972 352 E CA -0.397 56.106 56.400 0.171 0.000 0.804 352 E CB 1.928 31.789 29.700 0.269 0.000 1.110 352 E HN 0.540 nan 8.360 nan 0.000 0.394 353 V N 3.116 123.031 119.914 0.001 0.000 2.789 353 V HA 0.452 4.572 4.120 0.000 0.000 0.300 353 V C 0.245 176.229 176.094 -0.183 0.000 1.184 353 V CA 0.462 62.658 62.300 -0.174 0.000 0.930 353 V CB 1.303 32.926 31.823 -0.333 0.000 1.041 353 V HN 0.877 nan 8.190 nan 0.000 0.430 354 G N 4.352 113.085 108.800 -0.112 0.000 2.379 354 G HA2 0.070 4.030 3.960 0.000 0.000 0.297 354 G HA3 0.070 4.030 3.960 0.000 0.000 0.297 354 G C 1.708 176.767 174.900 0.265 0.000 1.004 354 G CA 1.653 46.854 45.100 0.169 0.000 0.921 354 G HN 2.725 nan 8.290 nan 0.000 0.511 355 G N -1.961 106.937 108.800 0.164 0.000 2.454 355 G HA2 -0.068 3.892 3.960 0.000 0.000 0.225 355 G HA3 -0.068 3.892 3.960 0.000 0.000 0.225 355 G C 0.581 175.546 174.900 0.109 0.000 1.138 355 G CA 0.606 45.853 45.100 0.245 0.000 0.667 355 G HN 1.911 nan 8.290 nan 0.000 0.512 356 L N 1.158 122.401 121.223 0.033 0.000 2.436 356 L HA 0.807 5.147 4.340 0.000 0.000 0.265 356 L C 0.256 177.014 176.870 -0.188 0.000 1.168 356 L CA -0.595 54.160 54.840 -0.141 0.000 0.815 356 L CB 0.624 42.492 42.059 -0.319 0.000 1.109 356 L HN 0.590 nan 8.230 nan 0.000 0.462 357 E N 0.428 120.449 120.200 -0.297 0.000 2.293 357 E HA 0.558 4.908 4.350 0.000 0.000 0.270 357 E C -1.658 174.721 176.600 -0.368 0.000 0.879 357 E CA -0.607 55.678 56.400 -0.192 0.000 0.756 357 E CB 1.694 31.348 29.700 -0.076 0.000 1.208 357 E HN 0.444 nan 8.360 nan 0.000 0.428 358 F N 2.212 122.170 119.950 0.013 0.000 2.359 358 F HA 0.285 4.812 4.527 0.000 0.000 0.369 358 F C -1.623 174.235 175.800 0.096 0.000 1.084 358 F CA -2.394 55.633 58.000 0.045 0.000 1.096 358 F CB 1.686 40.702 39.000 0.026 0.000 1.335 358 F HN 0.360 nan 8.300 nan 0.000 0.457 359 P HA -0.051 nan 4.420 nan 0.000 0.230 359 P C 0.084 177.508 177.300 0.205 0.000 1.158 359 P CA 0.670 63.879 63.100 0.181 0.000 0.769 359 P CB 0.498 32.276 31.700 0.129 0.000 0.807 360 A N 0.378 123.363 122.820 0.276 0.000 2.363 360 A HA 0.540 4.860 4.320 0.000 0.000 0.296 360 A C -0.091 177.738 177.584 0.409 0.000 1.237 360 A CA -0.427 51.783 52.037 0.288 0.000 0.773 360 A CB 0.150 19.285 19.000 0.226 0.000 1.153 360 A HN 0.317 nan 8.150 nan 0.000 0.473 361 C N 1.086 120.559 119.300 0.288 0.000 3.166 361 C HA 0.471 4.932 4.460 0.000 0.000 0.277 361 C C -3.042 171.997 174.990 0.081 0.000 0.984 361 C CA -1.495 57.639 59.018 0.193 0.000 1.142 361 C CB -0.116 27.715 27.740 0.152 0.000 1.721 361 C HN 0.572 nan 8.230 nan 0.000 0.628 362 P HA 0.399 nan 4.420 nan 0.000 0.268 362 P C -0.568 176.605 177.300 -0.211 0.000 1.205 362 P CA 0.819 63.801 63.100 -0.197 0.000 0.771 362 P CB 0.652 32.311 31.700 -0.068 0.000 0.858 363 F N 0.067 119.921 119.950 -0.161 0.000 2.650 363 F HA 0.720 5.247 4.527 0.000 0.000 0.320 363 F C -0.688 175.029 175.800 -0.140 0.000 1.091 363 F CA -1.183 56.700 58.000 -0.195 0.000 0.962 363 F CB 1.632 40.361 39.000 -0.452 0.000 1.363 363 F HN 0.410 nan 8.300 nan 0.000 0.482 364 N N -0.461 118.314 118.700 0.125 0.000 2.745 364 N HA 0.579 5.319 4.740 0.000 0.000 0.256 364 N C -1.422 173.987 175.510 -0.169 0.000 1.268 364 N CA -0.408 52.623 53.050 -0.031 0.000 0.887 364 N CB 1.762 40.233 38.487 -0.026 0.000 1.575 364 N HN 1.119 nan 8.380 nan 0.000 0.496 365 G N -0.387 108.268 108.800 -0.241 0.000 3.264 365 G HA2 0.709 4.670 3.960 0.000 0.000 0.168 365 G HA3 0.709 4.670 3.960 0.000 0.000 0.168 365 G C -1.553 173.275 174.900 -0.119 0.000 1.145 365 G CA -0.763 44.120 45.100 -0.360 0.000 0.855 365 G HN 0.692 nan 8.290 nan 0.000 0.629 366 W N -1.722 119.554 121.300 -0.039 0.000 2.762 366 W HA 0.815 5.475 4.660 0.000 0.000 0.355 366 W C -1.177 175.315 176.519 -0.046 0.000 1.124 366 W CA -2.000 55.337 57.345 -0.014 0.000 1.141 366 W CB 0.331 29.825 29.460 0.057 0.000 1.432 366 W HN 0.399 nan 8.180 nan 0.000 0.586 367 Y N 1.800 122.268 120.300 0.281 0.000 2.330 367 Y HA 0.293 4.843 4.550 0.000 0.000 0.341 367 Y C 0.610 176.535 175.900 0.042 0.000 1.278 367 Y CA -0.527 57.610 58.100 0.061 0.000 1.453 367 Y CB 0.950 39.351 38.460 -0.099 0.000 1.342 367 Y HN 0.379 nan 8.280 nan 0.000 0.590 368 M N 1.414 121.121 119.600 0.179 0.000 2.197 368 M HA 0.338 4.818 4.480 0.000 0.000 0.301 368 M C 0.969 177.196 176.300 -0.121 0.000 0.987 368 M CA -0.258 55.064 55.300 0.036 0.000 0.921 368 M CB 1.422 34.032 32.600 0.017 0.000 1.569 368 M HN 0.845 nan 8.290 nan 0.000 0.431 369 G N 1.885 110.563 108.800 -0.204 0.000 2.759 369 G HA2 -0.394 3.566 3.960 0.000 0.000 0.224 369 G HA3 -0.394 3.566 3.960 0.000 0.000 0.224 369 G C 1.129 175.805 174.900 -0.373 0.000 1.173 369 G CA 2.276 47.180 45.100 -0.326 0.000 0.770 369 G HN 0.876 nan 8.290 nan 0.000 0.626 370 T N -0.907 113.423 114.554 -0.373 0.000 2.822 370 T HA -0.111 4.240 4.350 0.000 0.000 0.270 370 T C 1.928 176.415 174.700 -0.355 0.000 1.064 370 T CA 1.864 63.719 62.100 -0.407 0.000 1.131 370 T CB -0.352 68.230 68.868 -0.476 0.000 0.858 370 T HN 0.598 nan 8.240 nan 0.000 0.483 371 E N 0.837 120.849 120.200 -0.313 0.000 2.051 371 E HA -0.041 4.309 4.350 0.000 0.000 0.192 371 E C 2.179 178.466 176.600 -0.522 0.000 0.991 371 E CA 1.503 57.733 56.400 -0.283 0.000 0.799 371 E CB -0.249 29.433 29.700 -0.031 0.000 0.748 371 E HN 0.591 nan 8.360 nan 0.000 0.449 372 I N 0.307 120.407 120.570 -0.784 0.000 2.270 372 I HA -0.068 4.103 4.170 0.000 0.000 0.239 372 I C 2.626 178.102 176.117 -1.069 0.000 1.080 372 I CA 0.929 61.453 61.300 -1.294 0.000 1.383 372 I CB -0.602 36.528 38.000 -1.449 0.000 1.097 372 I HN 0.120 nan 8.210 nan 0.000 0.420 373 G N 0.717 109.156 108.800 -0.600 0.000 2.418 373 G HA2 -0.150 3.810 3.960 0.000 0.000 0.217 373 G HA3 -0.150 3.810 3.960 0.000 0.000 0.217 373 G C 1.620 176.443 174.900 -0.129 0.000 1.158 373 G CA 1.138 46.112 45.100 -0.210 0.000 0.771 373 G HN 0.225 nan 8.290 nan 0.000 0.545 374 V N 0.251 120.025 119.914 -0.234 0.000 2.403 374 V HA 0.054 4.174 4.120 0.000 0.000 0.239 374 V C 2.829 178.831 176.094 -0.153 0.000 1.041 374 V CA 1.046 63.244 62.300 -0.170 0.000 1.051 374 V CB -0.369 31.323 31.823 -0.219 0.000 0.704 374 V HN 0.111 nan 8.190 nan 0.000 0.472 375 R N 0.973 121.337 120.500 -0.226 0.000 2.078 375 R HA -0.078 4.262 4.340 0.000 0.000 0.224 375 R C 2.023 178.233 176.300 -0.150 0.000 1.149 375 R CA 1.765 57.753 56.100 -0.187 0.000 0.916 375 R CB -1.342 28.826 30.300 -0.220 0.000 0.821 375 R HN 0.500 nan 8.270 nan 0.000 0.434 376 D N 0.428 120.639 120.400 -0.314 0.000 2.116 376 D HA -0.159 4.481 4.640 0.000 0.000 0.193 376 D C 1.992 178.306 176.300 0.023 0.000 0.998 376 D CA 1.229 55.047 54.000 -0.303 0.000 0.836 376 D CB -0.287 39.859 40.800 -1.091 0.000 0.951 376 D HN 0.095 nan 8.370 nan 0.000 0.449 377 F N 0.626 120.495 119.950 -0.136 0.000 2.149 377 F HA -0.016 4.511 4.527 0.000 0.000 0.294 377 F C 2.553 178.407 175.800 0.090 0.000 1.095 377 F CA -0.085 57.925 58.000 0.018 0.000 1.276 377 F CB -0.910 38.061 39.000 -0.048 0.000 1.023 377 F HN 0.039 nan 8.300 nan 0.000 0.480 378 C N -1.087 118.346 119.300 0.222 0.000 2.634 378 C HA 0.125 4.585 4.460 0.000 0.000 0.268 378 C C 0.424 175.471 174.990 0.095 0.000 1.322 378 C CA -0.794 58.308 59.018 0.141 0.000 1.737 378 C CB -0.949 26.838 27.740 0.079 0.000 1.976 378 C HN 0.123 nan 8.230 nan 0.000 0.547 379 D N 1.889 122.337 120.400 0.081 0.000 2.488 379 D HA 0.063 4.703 4.640 0.000 0.000 0.238 379 D C 1.556 177.910 176.300 0.090 0.000 1.138 379 D CA 0.524 54.562 54.000 0.064 0.000 0.873 379 D CB 0.889 41.722 40.800 0.055 0.000 1.183 379 D HN 0.428 nan 8.370 nan 0.000 0.458 380 T N -0.322 114.276 114.554 0.074 0.000 2.929 380 T HA -0.230 4.120 4.350 0.000 0.000 0.271 380 T C 1.320 176.067 174.700 0.078 0.000 1.085 380 T CA 0.805 62.951 62.100 0.077 0.000 1.125 380 T CB -0.040 68.866 68.868 0.064 0.000 0.874 380 T HN 0.513 nan 8.240 nan 0.000 0.494 381 Q N 0.369 120.220 119.800 0.085 0.000 2.403 381 Q HA 0.176 4.516 4.340 0.000 0.000 0.203 381 Q C 0.899 176.950 176.000 0.084 0.000 0.932 381 Q CA -0.064 55.792 55.803 0.089 0.000 0.945 381 Q CB 0.241 29.050 28.738 0.118 0.000 1.045 381 Q HN 0.391 nan 8.270 nan 0.000 0.511 382 R N -0.389 120.169 120.500 0.095 0.000 3.066 382 R HA 0.259 4.599 4.340 0.000 0.000 0.143 382 R C 1.475 177.820 176.300 0.075 0.000 1.187 382 R CA -0.589 55.573 56.100 0.104 0.000 0.722 382 R CB -1.105 29.319 30.300 0.207 0.000 1.366 382 R HN 0.007 nan 8.270 nan 0.000 0.421 383 Y N 1.649 122.086 120.300 0.229 0.000 2.315 383 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 383 Y C 0.770 176.765 175.900 0.158 0.000 1.154 383 Y CA 1.403 59.640 58.100 0.229 0.000 1.229 383 Y CB -0.301 38.386 38.460 0.379 0.000 0.980 383 Y HN 0.468 nan 8.280 nan 0.000 0.540 384 N N 0.472 119.327 118.700 0.259 0.000 2.686 384 N HA -0.225 4.515 4.740 0.000 0.000 0.261 384 N C 0.140 175.758 175.510 0.180 0.000 1.001 384 N CA 0.892 54.050 53.050 0.181 0.000 0.764 384 N CB -1.348 37.215 38.487 0.125 0.000 0.898 384 N HN 0.681 nan 8.380 nan 0.000 0.544 385 I N -3.070 117.618 120.570 0.197 0.000 3.904 385 I HA 0.115 4.285 4.170 0.000 0.000 0.333 385 I C 1.548 177.770 176.117 0.174 0.000 1.361 385 I CA -0.557 60.833 61.300 0.149 0.000 1.116 385 I CB 0.003 38.042 38.000 0.065 0.000 1.028 385 I HN 0.159 nan 8.210 nan 0.000 0.398 386 L N 1.483 122.823 121.223 0.194 0.000 1.976 386 L HA -0.174 4.166 4.340 0.000 0.000 0.209 386 L C 2.521 179.614 176.870 0.371 0.000 1.071 386 L CA 2.297 57.281 54.840 0.239 0.000 0.746 386 L CB -0.438 41.713 42.059 0.153 0.000 0.890 386 L HN 0.566 nan 8.230 nan 0.000 0.432 387 E N -0.175 120.232 120.200 0.346 0.000 2.085 387 E HA -0.324 4.026 4.350 0.000 0.000 0.194 387 E C 1.916 178.589 176.600 0.122 0.000 0.994 387 E CA 1.663 58.231 56.400 0.280 0.000 0.801 387 E CB 0.055 29.850 29.700 0.158 0.000 0.743 387 E HN 0.403 nan 8.360 nan 0.000 0.453 388 E N 0.172 120.444 120.200 0.120 0.000 2.085 388 E HA -0.157 4.193 4.350 0.000 0.000 0.194 388 E C 1.948 178.620 176.600 0.121 0.000 0.994 388 E CA 1.540 57.987 56.400 0.079 0.000 0.801 388 E CB -0.166 29.581 29.700 0.078 0.000 0.743 388 E HN 0.193 nan 8.360 nan 0.000 0.453 389 V N -0.072 119.982 119.914 0.233 0.000 2.548 389 V HA -0.056 4.064 4.120 0.000 0.000 0.249 389 V C 2.230 178.531 176.094 0.345 0.000 1.055 389 V CA 1.662 64.197 62.300 0.392 0.000 1.065 389 V CB -0.664 31.435 31.823 0.460 0.000 0.681 389 V HN 0.476 nan 8.190 nan 0.000 0.462 390 G N -0.364 108.612 108.800 0.292 0.000 2.464 390 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 390 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 390 G C 1.684 176.555 174.900 -0.048 0.000 1.138 390 G CA 0.520 45.757 45.100 0.228 0.000 0.793 390 G HN 0.379 nan 8.290 nan 0.000 0.539 391 R N 0.575 121.010 120.500 -0.109 0.000 2.066 391 R HA 0.105 4.445 4.340 0.000 0.000 0.232 391 R C 2.437 178.603 176.300 -0.223 0.000 1.131 391 R CA 0.967 56.958 56.100 -0.182 0.000 0.955 391 R CB -0.280 29.932 30.300 -0.146 0.000 0.851 391 R HN 0.206 nan 8.270 nan 0.000 0.432 392 R N -0.624 119.692 120.500 -0.307 0.000 2.323 392 R HA 0.078 4.418 4.340 0.000 0.000 0.198 392 R C 1.298 177.160 176.300 -0.729 0.000 0.988 392 R CA 0.626 56.310 56.100 -0.692 0.000 1.041 392 R CB 0.076 29.672 30.300 -1.173 0.000 0.926 392 R HN 0.290 nan 8.270 nan 0.000 0.476 393 M N -1.023 118.439 119.600 -0.229 0.000 2.371 393 M HA 0.164 4.644 4.480 0.000 0.000 0.246 393 M C 0.794 177.066 176.300 -0.048 0.000 1.103 393 M CA 0.268 55.578 55.300 0.016 0.000 1.010 393 M CB 1.115 33.891 32.600 0.292 0.000 1.457 393 M HN 0.360 nan 8.290 nan 0.000 0.486 394 G N 1.933 110.659 108.800 -0.123 0.000 2.153 394 G HA2 -0.245 3.715 3.960 0.000 0.000 0.252 394 G HA3 -0.245 3.715 3.960 0.000 0.000 0.252 394 G C 0.027 174.887 174.900 -0.067 0.000 0.994 394 G CA -0.020 45.016 45.100 -0.106 0.000 0.698 394 G HN 0.403 nan 8.290 nan 0.000 0.521 395 L N -0.322 120.869 121.223 -0.053 0.000 2.453 395 L HA 0.363 4.703 4.340 0.000 0.000 0.261 395 L C 1.017 177.788 176.870 -0.166 0.000 1.179 395 L CA -0.573 54.249 54.840 -0.031 0.000 0.813 395 L CB 0.442 42.561 42.059 0.100 0.000 1.110 395 L HN 0.163 nan 8.230 nan 0.000 0.466 396 E N 0.649 120.779 120.200 -0.116 0.000 2.053 396 E HA -0.023 4.327 4.350 0.000 0.000 0.297 396 E C 0.693 177.012 176.600 -0.469 0.000 1.173 396 E CA -0.140 56.169 56.400 -0.152 0.000 1.219 396 E CB -0.101 29.598 29.700 -0.003 0.000 1.103 396 E HN 0.568 nan 8.360 nan 0.000 0.476 397 T N 0.850 114.933 114.554 -0.785 0.000 2.778 397 T HA -0.194 4.156 4.350 0.000 0.000 0.269 397 T C 1.100 175.299 174.700 -0.835 0.000 1.050 397 T CA 1.116 62.351 62.100 -1.443 0.000 1.137 397 T CB -0.157 68.026 68.868 -1.140 0.000 0.860 397 T HN 0.561 nan 8.240 nan 0.000 0.468 398 H N 0.047 118.953 119.070 -0.274 0.000 2.539 398 H HA 0.187 4.743 4.556 0.000 0.000 0.269 398 H C 0.183 175.536 175.328 0.042 0.000 0.980 398 H CA 0.422 56.432 56.048 -0.064 0.000 1.152 398 H CB 0.327 30.052 29.762 -0.061 0.000 1.407 398 H HN 0.202 nan 8.280 nan 0.000 0.564 399 T N 2.037 116.687 114.554 0.160 0.000 2.833 399 T HA 0.205 4.555 4.350 0.000 0.000 0.297 399 T C 1.451 176.347 174.700 0.327 0.000 1.015 399 T CA -0.408 61.811 62.100 0.198 0.000 0.963 399 T CB 1.751 70.703 68.868 0.140 0.000 0.955 399 T HN 0.105 nan 8.240 nan 0.000 0.449 400 L N 2.102 123.490 121.223 0.275 0.000 2.012 400 L HA -0.147 4.194 4.340 0.000 0.000 0.210 400 L C 2.889 179.852 176.870 0.154 0.000 1.073 400 L CA 1.578 56.551 54.840 0.223 0.000 0.748 400 L CB -0.580 41.551 42.059 0.121 0.000 0.891 400 L HN 0.767 nan 8.230 nan 0.000 0.431 401 A N 0.103 122.999 122.820 0.127 0.000 2.084 401 A HA -0.255 4.065 4.320 0.000 0.000 0.221 401 A C 2.426 180.075 177.584 0.110 0.000 1.161 401 A CA 1.947 54.041 52.037 0.094 0.000 0.653 401 A CB -0.692 18.355 19.000 0.078 0.000 0.802 401 A HN 0.606 nan 8.150 nan 0.000 0.457 402 S N -0.625 115.178 115.700 0.172 0.000 2.469 402 S HA -0.018 4.452 4.470 0.000 0.000 0.238 402 S C 0.942 175.644 174.600 0.170 0.000 0.998 402 S CA 0.959 59.267 58.200 0.182 0.000 0.957 402 S CB -0.741 62.603 63.200 0.239 0.000 0.764 402 S HN 1.004 nan 8.310 nan 0.000 0.514 403 L N -0.044 121.257 121.223 0.130 0.000 4.089 403 L HA -0.164 4.176 4.340 0.000 0.000 0.408 403 L C 1.594 178.498 176.870 0.056 0.000 1.184 403 L CA 0.737 55.595 54.840 0.030 0.000 0.947 403 L CB -2.779 39.300 42.059 0.033 0.000 2.066 403 L HN 0.754 nan 8.230 nan 0.000 0.851 404 W N 0.480 121.804 121.300 0.040 0.000 2.363 404 W HA -0.146 4.515 4.660 0.000 0.000 0.296 404 W C 1.707 178.258 176.519 0.053 0.000 1.212 404 W CA 1.389 58.763 57.345 0.048 0.000 1.260 404 W CB -0.788 28.697 29.460 0.041 0.000 1.131 404 W HN 0.267 nan 8.180 nan 0.000 0.530 405 K N 0.950 120.890 120.400 -0.768 0.000 2.063 405 K HA -0.184 4.136 4.320 0.000 0.000 0.208 405 K C 1.435 177.889 176.600 -0.243 0.000 1.048 405 K CA 2.352 58.202 56.287 -0.728 0.000 0.928 405 K CB -0.386 31.570 32.500 -0.906 0.000 0.713 405 K HN 0.068 nan 8.250 nan 0.000 0.442 406 D N 0.043 120.346 120.400 -0.162 0.000 2.224 406 D HA -0.094 4.546 4.640 0.000 0.000 0.205 406 D C 1.899 178.204 176.300 0.007 0.000 0.965 406 D CA 0.819 54.781 54.000 -0.063 0.000 0.852 406 D CB 0.063 40.839 40.800 -0.041 0.000 0.947 406 D HN 0.024 nan 8.370 nan 0.000 0.494 407 R N 0.689 121.223 120.500 0.056 0.000 2.057 407 R HA 0.076 4.416 4.340 0.000 0.000 0.229 407 R C 2.005 178.389 176.300 0.139 0.000 1.136 407 R CA 1.389 57.559 56.100 0.117 0.000 0.952 407 R CB -0.524 29.884 30.300 0.180 0.000 0.848 407 R HN 0.125 nan 8.270 nan 0.000 0.430 408 A N -0.090 122.842 122.820 0.187 0.000 1.841 408 A HA -0.179 4.141 4.320 0.000 0.000 0.216 408 A C 2.251 179.919 177.584 0.140 0.000 1.199 408 A CA 1.884 54.059 52.037 0.229 0.000 0.621 408 A CB -1.375 17.818 19.000 0.321 0.000 0.835 408 A HN 0.254 nan 8.150 nan 0.000 0.445 409 V N 0.230 120.190 119.914 0.076 0.000 2.370 409 V HA -0.277 3.843 4.120 0.000 0.000 0.252 409 V C 2.505 178.601 176.094 0.003 0.000 1.068 409 V CA 3.140 65.460 62.300 0.033 0.000 1.061 409 V CB -1.028 30.782 31.823 -0.022 0.000 0.656 409 V HN 0.698 nan 8.190 nan 0.000 0.455 410 T N -0.237 114.322 114.554 0.008 0.000 2.788 410 T HA -0.130 4.220 4.350 0.000 0.000 0.268 410 T C 1.759 176.427 174.700 -0.052 0.000 1.044 410 T CA 1.543 63.637 62.100 -0.009 0.000 1.139 410 T CB -0.259 68.620 68.868 0.017 0.000 0.867 410 T HN 0.556 nan 8.240 nan 0.000 0.454 411 E N 1.074 121.250 120.200 -0.040 0.000 2.107 411 E HA 0.051 4.401 4.350 0.000 0.000 0.191 411 E C 2.250 178.694 176.600 -0.260 0.000 0.982 411 E CA 0.599 56.926 56.400 -0.121 0.000 0.809 411 E CB -0.403 29.238 29.700 -0.098 0.000 0.756 411 E HN 0.529 nan 8.360 nan 0.000 0.459 412 I N 1.564 122.076 120.570 -0.096 0.000 2.361 412 I HA -0.239 3.931 4.170 0.000 0.000 0.251 412 I C 1.958 178.026 176.117 -0.081 0.000 1.133 412 I CA 0.725 62.012 61.300 -0.023 0.000 1.413 412 I CB -0.300 37.814 38.000 0.190 0.000 1.073 412 I HN 0.023 nan 8.210 nan 0.000 0.424 413 N N 0.724 119.356 118.700 -0.113 0.000 2.171 413 N HA -0.111 4.629 4.740 0.000 0.000 0.184 413 N C 2.016 177.422 175.510 -0.173 0.000 1.021 413 N CA 1.718 54.684 53.050 -0.139 0.000 0.854 413 N CB -0.284 38.126 38.487 -0.129 0.000 0.994 413 N HN 0.360 nan 8.380 nan 0.000 0.426 414 V N -1.075 118.698 119.914 -0.234 0.000 2.626 414 V HA 0.059 4.179 4.120 0.000 0.000 0.252 414 V C 2.192 178.059 176.094 -0.377 0.000 1.067 414 V CA 1.518 63.648 62.300 -0.284 0.000 1.081 414 V CB -1.075 30.543 31.823 -0.342 0.000 0.686 414 V HN 0.158 nan 8.190 nan 0.000 0.468 415 A N 0.813 123.318 122.820 -0.524 0.000 1.841 415 A HA -0.069 4.251 4.320 0.000 0.000 0.214 415 A C 2.392 179.911 177.584 -0.108 0.000 1.195 415 A CA 2.209 53.948 52.037 -0.497 0.000 0.611 415 A CB -0.996 17.493 19.000 -0.851 0.000 0.835 415 A HN 0.422 nan 8.150 nan 0.000 0.443 416 V N -0.180 119.707 119.914 -0.045 0.000 2.282 416 V HA -0.273 3.847 4.120 0.000 0.000 0.249 416 V C 2.566 178.668 176.094 0.013 0.000 1.057 416 V CA 2.123 64.446 62.300 0.039 0.000 1.032 416 V CB -0.840 30.921 31.823 -0.103 0.000 0.645 416 V HN 0.483 nan 8.190 nan 0.000 0.447 417 L N -0.585 120.597 121.223 -0.069 0.000 2.046 417 L HA -0.173 4.167 4.340 0.000 0.000 0.208 417 L C 2.457 179.353 176.870 0.043 0.000 1.077 417 L CA 2.161 56.975 54.840 -0.043 0.000 0.747 417 L CB -1.169 40.861 42.059 -0.050 0.000 0.896 417 L HN 0.489 nan 8.230 nan 0.000 0.432 418 H N -1.131 117.896 119.070 -0.073 0.000 2.326 418 H HA -0.105 4.451 4.556 0.000 0.000 0.301 418 H C 2.167 177.496 175.328 0.002 0.000 1.081 418 H CA 1.549 57.558 56.048 -0.065 0.000 1.334 418 H CB 0.462 30.131 29.762 -0.155 0.000 1.385 418 H HN 0.278 nan 8.280 nan 0.000 0.504 419 S N 0.485 116.142 115.700 -0.071 0.000 2.353 419 S HA -0.160 4.310 4.470 0.000 0.000 0.222 419 S C 1.981 176.555 174.600 -0.043 0.000 1.035 419 S CA 1.579 59.733 58.200 -0.078 0.000 1.025 419 S CB -0.601 62.653 63.200 0.090 0.000 0.902 419 S HN 0.302 nan 8.310 nan 0.000 0.440 420 F N 1.583 121.468 119.950 -0.109 0.000 2.134 420 F HA -0.118 4.409 4.527 0.000 0.000 0.299 420 F C 2.719 178.456 175.800 -0.105 0.000 1.097 420 F CA 1.270 59.221 58.000 -0.082 0.000 1.264 420 F CB -0.788 38.179 39.000 -0.055 0.000 1.001 420 F HN 0.158 nan 8.300 nan 0.000 0.479 421 Q N 0.593 120.433 119.800 0.066 0.000 2.061 421 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 421 Q C 2.283 178.232 176.000 -0.085 0.000 0.984 421 Q CA 2.057 57.849 55.803 -0.017 0.000 0.846 421 Q CB -0.213 28.512 28.738 -0.022 0.000 0.902 421 Q HN 0.305 nan 8.270 nan 0.000 0.421 422 K N -0.249 120.036 120.400 -0.191 0.000 1.985 422 K HA -0.152 4.168 4.320 0.000 0.000 0.210 422 K C 1.573 178.092 176.600 -0.135 0.000 1.047 422 K CA 1.666 57.830 56.287 -0.205 0.000 0.932 422 K CB -0.004 32.278 32.500 -0.364 0.000 0.716 422 K HN 0.294 nan 8.250 nan 0.000 0.439 423 Q N 1.069 120.781 119.800 -0.146 0.000 2.452 423 Q HA 0.021 4.361 4.340 0.000 0.000 0.214 423 Q C -0.606 175.328 176.000 -0.111 0.000 0.966 423 Q CA -0.087 55.637 55.803 -0.132 0.000 0.964 423 Q CB -0.127 28.506 28.738 -0.176 0.000 0.992 423 Q HN 0.306 nan 8.270 nan 0.000 0.517 424 N N 0.245 118.895 118.700 -0.083 0.000 2.707 424 N HA -0.160 4.580 4.740 0.000 0.000 0.253 424 N C -1.342 174.134 175.510 -0.056 0.000 0.998 424 N CA 0.631 53.644 53.050 -0.062 0.000 0.751 424 N CB -1.020 37.432 38.487 -0.059 0.000 0.920 424 N HN 0.054 nan 8.380 nan 0.000 0.539 425 V N 0.885 120.778 119.914 -0.035 0.000 2.409 425 V HA 0.210 4.330 4.120 0.000 0.000 0.291 425 V C 0.704 176.891 176.094 0.156 0.000 1.020 425 V CA -0.719 61.589 62.300 0.013 0.000 0.848 425 V CB 2.042 33.789 31.823 -0.126 0.000 0.990 425 V HN 0.186 nan 8.190 nan 0.000 0.430 426 T N 6.545 121.135 114.554 0.060 0.000 2.905 426 T HA 0.347 4.697 4.350 0.000 0.000 0.299 426 T C -0.228 174.512 174.700 0.067 0.000 1.024 426 T CA 0.961 63.024 62.100 -0.062 0.000 1.151 426 T CB 0.048 68.737 68.868 -0.298 0.000 0.987 426 T HN 0.565 nan 8.240 nan 0.000 0.535 427 I N 2.558 123.092 120.570 -0.059 0.000 2.828 427 I HA 0.485 4.655 4.170 0.000 0.000 0.295 427 I C -1.520 174.576 176.117 -0.036 0.000 1.459 427 I CA -0.984 60.291 61.300 -0.042 0.000 1.015 427 I CB 2.054 39.889 38.000 -0.276 0.000 1.345 427 I HN 0.628 nan 8.210 nan 0.000 0.449 428 M N 6.754 126.401 119.600 0.078 0.000 2.393 428 M HA 0.386 4.866 4.480 0.000 0.000 0.316 428 M C -1.300 175.045 176.300 0.075 0.000 1.087 428 M CA -0.601 54.765 55.300 0.111 0.000 0.937 428 M CB 1.515 34.281 32.600 0.277 0.000 1.668 428 M HN 0.552 nan 8.290 nan 0.000 0.438 429 D N 3.310 123.758 120.400 0.080 0.000 2.329 429 D HA 0.036 4.676 4.640 0.000 0.000 0.246 429 D C 0.699 177.099 176.300 0.167 0.000 1.111 429 D CA -0.191 53.890 54.000 0.135 0.000 0.941 429 D CB 0.566 41.465 40.800 0.165 0.000 1.169 429 D HN 0.848 nan 8.370 nan 0.000 0.441 430 H N 0.823 119.828 119.070 -0.108 0.000 2.457 430 H HA -0.168 4.388 4.556 0.000 0.000 0.297 430 H C 1.286 176.487 175.328 -0.212 0.000 1.092 430 H CA 1.388 57.321 56.048 -0.191 0.000 1.309 430 H CB -0.822 28.768 29.762 -0.287 0.000 1.382 430 H HN 0.534 nan 8.280 nan 0.000 0.535 431 H N 0.774 119.677 119.070 -0.279 0.000 2.284 431 H HA -0.028 4.529 4.556 0.000 0.000 0.304 431 H C 1.992 177.286 175.328 -0.057 0.000 1.069 431 H CA 2.015 57.934 56.048 -0.216 0.000 1.327 431 H CB -0.348 29.269 29.762 -0.241 0.000 1.387 431 H HN 0.407 nan 8.280 nan 0.000 0.498 432 T N 1.329 115.949 114.554 0.110 0.000 2.788 432 T HA -0.095 4.255 4.350 0.000 0.000 0.268 432 T C 2.312 177.076 174.700 0.106 0.000 1.044 432 T CA 1.067 63.225 62.100 0.096 0.000 1.139 432 T CB -0.399 68.522 68.868 0.088 0.000 0.867 432 T HN 0.419 nan 8.240 nan 0.000 0.454 433 A N 1.576 124.456 122.820 0.100 0.000 1.877 433 A HA -0.111 4.209 4.320 0.000 0.000 0.216 433 A C 2.628 180.284 177.584 0.119 0.000 1.186 433 A CA 2.001 54.106 52.037 0.114 0.000 0.620 433 A CB -0.896 18.156 19.000 0.086 0.000 0.822 433 A HN 0.457 nan 8.150 nan 0.000 0.443 434 S N -0.256 115.487 115.700 0.072 0.000 2.355 434 S HA -0.150 4.320 4.470 0.000 0.000 0.222 434 S C 1.858 176.558 174.600 0.166 0.000 1.031 434 S CA 1.349 59.606 58.200 0.094 0.000 0.993 434 S CB -0.365 62.842 63.200 0.011 0.000 0.859 434 S HN 0.666 nan 8.310 nan 0.000 0.453 435 E N 1.368 121.643 120.200 0.125 0.000 2.085 435 E HA -0.155 4.195 4.350 0.000 0.000 0.194 435 E C 2.480 179.158 176.600 0.130 0.000 0.994 435 E CA 1.567 58.039 56.400 0.119 0.000 0.801 435 E CB -0.286 29.469 29.700 0.091 0.000 0.743 435 E HN 0.649 nan 8.360 nan 0.000 0.453 436 S N 0.747 116.532 115.700 0.142 0.000 2.383 436 S HA -0.172 4.298 4.470 0.000 0.000 0.227 436 S C 1.934 176.639 174.600 0.175 0.000 1.026 436 S CA 0.740 59.025 58.200 0.141 0.000 0.981 436 S CB -0.572 62.714 63.200 0.143 0.000 0.818 436 S HN 0.321 nan 8.310 nan 0.000 0.472 437 F N 2.093 122.091 119.950 0.080 0.000 2.186 437 F HA 0.058 4.585 4.527 0.000 0.000 0.299 437 F C 2.316 178.196 175.800 0.134 0.000 1.090 437 F CA 1.296 59.359 58.000 0.105 0.000 1.307 437 F CB -0.299 38.738 39.000 0.062 0.000 1.019 437 F HN 0.085 nan 8.300 nan 0.000 0.489 438 M N 0.272 119.963 119.600 0.152 0.000 2.117 438 M HA -0.183 4.297 4.480 0.000 0.000 0.262 438 M C 2.223 178.503 176.300 -0.033 0.000 1.065 438 M CA 1.574 56.904 55.300 0.051 0.000 1.114 438 M CB -1.111 31.561 32.600 0.120 0.000 1.361 438 M HN 0.100 nan 8.290 nan 0.000 0.408 439 K N -0.337 120.073 120.400 0.016 0.000 2.097 439 K HA -0.198 4.122 4.320 0.000 0.000 0.206 439 K C 1.906 178.497 176.600 -0.014 0.000 1.049 439 K CA 1.703 57.998 56.287 0.012 0.000 0.933 439 K CB -0.593 31.934 32.500 0.046 0.000 0.717 439 K HN 0.370 nan 8.250 nan 0.000 0.442 440 H N -0.140 118.844 119.070 -0.143 0.000 2.293 440 H HA -0.020 4.536 4.556 0.000 0.000 0.300 440 H C 1.985 177.166 175.328 -0.246 0.000 1.082 440 H CA 2.503 58.437 56.048 -0.191 0.000 1.308 440 H CB -0.222 29.378 29.762 -0.270 0.000 1.375 440 H HN 0.196 nan 8.280 nan 0.000 0.495 441 M N 0.024 119.313 119.600 -0.518 0.000 2.106 441 M HA -0.274 4.206 4.480 0.000 0.000 0.259 441 M C 2.233 178.466 176.300 -0.112 0.000 1.068 441 M CA 2.164 57.224 55.300 -0.400 0.000 1.100 441 M CB -0.068 32.336 32.600 -0.328 0.000 1.351 441 M HN 0.496 nan 8.290 nan 0.000 0.404 442 Q N -0.251 119.489 119.800 -0.101 0.000 2.084 442 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 442 Q C 1.680 177.663 176.000 -0.029 0.000 0.978 442 Q CA 1.568 57.352 55.803 -0.033 0.000 0.844 442 Q CB -0.298 28.417 28.738 -0.038 0.000 0.898 442 Q HN 0.549 nan 8.270 nan 0.000 0.426 443 N N 0.635 119.282 118.700 -0.088 0.000 2.166 443 N HA -0.172 4.568 4.740 0.000 0.000 0.186 443 N C 1.599 177.032 175.510 -0.129 0.000 1.019 443 N CA 1.097 54.100 53.050 -0.078 0.000 0.856 443 N CB -0.151 38.302 38.487 -0.056 0.000 0.993 443 N HN 0.180 nan 8.380 nan 0.000 0.426 444 E N 0.046 120.088 120.200 -0.263 0.000 2.110 444 E HA -0.075 4.275 4.350 0.000 0.000 0.193 444 E C 1.527 177.970 176.600 -0.262 0.000 0.988 444 E CA 0.920 57.111 56.400 -0.349 0.000 0.804 444 E CB -0.243 29.109 29.700 -0.580 0.000 0.745 444 E HN 0.449 nan 8.360 nan 0.000 0.458 445 Y N -0.355 119.843 120.300 -0.169 0.000 2.286 445 Y HA 0.052 4.602 4.550 0.000 0.000 0.293 445 Y C 2.407 178.261 175.900 -0.077 0.000 1.124 445 Y CA 1.053 59.092 58.100 -0.102 0.000 1.178 445 Y CB 0.078 38.491 38.460 -0.078 0.000 1.010 445 Y HN -0.067 nan 8.280 nan 0.000 0.536 446 R N -0.348 120.187 120.500 0.057 0.000 2.115 446 R HA -0.088 4.252 4.340 0.000 0.000 0.226 446 R C 2.206 178.497 176.300 -0.015 0.000 1.100 446 R CA 0.911 57.023 56.100 0.021 0.000 0.980 446 R CB -0.208 30.099 30.300 0.013 0.000 0.875 446 R HN 0.332 nan 8.270 nan 0.000 0.445 447 A N 1.520 124.310 122.820 -0.050 0.000 1.832 447 A HA -0.139 4.181 4.320 0.000 0.000 0.214 447 A C 1.723 179.258 177.584 -0.081 0.000 1.204 447 A CA 1.379 53.380 52.037 -0.061 0.000 0.606 447 A CB -0.141 18.811 19.000 -0.079 0.000 0.849 447 A HN 0.412 nan 8.150 nan 0.000 0.445 448 R N -1.681 118.737 120.500 -0.138 0.000 2.596 448 R HA 0.409 4.750 4.340 0.000 0.000 0.369 448 R C 0.692 176.892 176.300 -0.166 0.000 1.042 448 R CA 0.442 56.458 56.100 -0.140 0.000 1.120 448 R CB -0.420 29.785 30.300 -0.157 0.000 1.353 448 R HN 0.933 nan 8.270 nan 0.000 0.564 449 G N 0.117 108.812 108.800 -0.174 0.000 2.295 449 G HA2 -0.075 3.885 3.960 0.000 0.000 0.287 449 G HA3 -0.075 3.885 3.960 0.000 0.000 0.287 449 G C 0.193 174.846 174.900 -0.411 0.000 1.055 449 G CA 0.186 45.183 45.100 -0.171 0.000 0.922 449 G HN 0.933 nan 8.290 nan 0.000 0.503 450 G N -2.529 105.749 108.800 -0.871 0.000 2.328 450 G HA2 0.580 4.540 3.960 0.000 0.000 0.299 450 G HA3 0.580 4.540 3.960 0.000 0.000 0.299 450 G C -0.812 173.603 174.900 -0.809 0.000 1.435 450 G CA 0.304 44.780 45.100 -1.040 0.000 0.865 450 G HN 1.990 nan 8.290 nan 0.000 0.601 451 C N 2.147 121.171 119.300 -0.461 0.000 3.096 451 C HA 0.557 5.017 4.460 0.000 0.000 0.391 451 C C -2.620 172.258 174.990 -0.186 0.000 1.085 451 C CA -1.007 57.850 59.018 -0.268 0.000 1.289 451 C CB 0.830 28.436 27.740 -0.223 0.000 1.685 451 C HN 0.722 nan 8.230 nan 0.000 0.515 452 P HA 0.352 nan 4.420 nan 0.000 0.262 452 P C -0.483 176.676 177.300 -0.235 0.000 1.199 452 P CA 0.786 63.423 63.100 -0.771 0.000 0.763 452 P CB 0.864 32.040 31.700 -0.873 0.000 0.790 453 A N 3.042 125.803 122.820 -0.098 0.000 2.398 453 A HA 0.378 4.698 4.320 0.000 0.000 0.301 453 A C -0.739 176.892 177.584 0.079 0.000 1.041 453 A CA -0.579 51.510 52.037 0.086 0.000 0.711 453 A CB 1.159 20.334 19.000 0.292 0.000 1.240 453 A HN 0.444 nan 8.150 nan 0.000 0.420 454 D N 2.405 122.839 120.400 0.055 0.000 2.456 454 D HA 0.100 4.740 4.640 0.000 0.000 0.219 454 D C 0.862 177.268 176.300 0.177 0.000 1.126 454 D CA -0.491 53.570 54.000 0.102 0.000 0.890 454 D CB 0.257 41.071 40.800 0.023 0.000 1.025 454 D HN 0.634 nan 8.370 nan 0.000 0.511 455 W N 4.508 125.825 121.300 0.028 0.000 2.304 455 W HA -0.266 4.395 4.660 0.000 0.000 0.315 455 W C 1.804 178.340 176.519 0.028 0.000 1.233 455 W CA 1.379 58.727 57.345 0.005 0.000 1.261 455 W CB -0.131 29.316 29.460 -0.021 0.000 1.150 455 W HN 0.461 nan 8.180 nan 0.000 0.494 456 I N -1.032 119.832 120.570 0.490 0.000 2.315 456 I HA -0.328 3.842 4.170 0.000 0.000 0.251 456 I C 1.810 178.037 176.117 0.182 0.000 1.125 456 I CA 1.602 63.132 61.300 0.383 0.000 1.392 456 I CB -0.658 37.584 38.000 0.403 0.000 1.065 456 I HN 0.147 nan 8.210 nan 0.000 0.424 457 W N 0.102 121.360 121.300 -0.069 0.000 2.640 457 W HA 0.143 4.803 4.660 0.000 0.000 0.271 457 W C 2.260 178.641 176.519 -0.230 0.000 1.218 457 W CA 0.150 57.419 57.345 -0.126 0.000 1.382 457 W CB -0.489 28.919 29.460 -0.085 0.000 1.067 457 W HN -0.082 nan 8.180 nan 0.000 0.590 458 L N 0.005 121.172 121.223 -0.094 0.000 2.275 458 L HA -0.064 4.276 4.340 0.000 0.000 0.215 458 L C 0.590 177.209 176.870 -0.418 0.000 1.119 458 L CA 0.432 55.068 54.840 -0.340 0.000 0.790 458 L CB -0.887 40.862 42.059 -0.517 0.000 0.919 458 L HN -0.376 nan 8.230 nan 0.000 0.443 459 V N 1.439 121.045 119.914 -0.513 0.000 2.405 459 V HA 0.153 4.273 4.120 0.000 0.000 0.264 459 V C -1.829 174.064 176.094 -0.335 0.000 1.048 459 V CA -1.478 60.498 62.300 -0.539 0.000 0.966 459 V CB 0.544 31.797 31.823 -0.949 0.000 1.015 459 V HN 0.025 nan 8.190 nan 0.000 0.477 460 P HA -0.003 nan 4.420 nan 0.000 0.264 460 P C -1.798 175.394 177.300 -0.180 0.000 1.173 460 P CA -0.664 62.329 63.100 -0.179 0.000 0.761 460 P CB 0.090 31.755 31.700 -0.059 0.000 0.794 461 P HA -0.020 nan 4.420 nan 0.000 0.244 461 P C -0.152 177.062 177.300 -0.143 0.000 1.211 461 P CA 1.019 64.008 63.100 -0.184 0.000 0.760 461 P CB 0.429 31.998 31.700 -0.219 0.000 0.961 462 V N -1.038 118.800 119.914 -0.126 0.000 2.924 462 V HA 0.198 4.318 4.120 0.000 0.000 0.300 462 V C -0.152 175.946 176.094 0.007 0.000 1.227 462 V CA -0.413 61.841 62.300 -0.077 0.000 0.954 462 V CB 1.865 33.609 31.823 -0.132 0.000 1.055 462 V HN 0.002 nan 8.190 nan 0.000 0.429 463 S N 3.047 118.746 115.700 -0.003 0.000 3.749 463 S HA -0.173 4.297 4.470 0.000 0.000 0.348 463 S C 1.427 175.972 174.600 -0.092 0.000 1.045 463 S CA 1.083 59.276 58.200 -0.012 0.000 1.051 463 S CB -1.297 61.947 63.200 0.074 0.000 0.898 463 S HN 1.697 nan 8.310 nan 0.000 0.472 464 G N 2.558 111.288 108.800 -0.117 0.000 2.721 464 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 464 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 464 G C 1.499 176.160 174.900 -0.398 0.000 1.265 464 G CA 1.605 46.617 45.100 -0.146 0.000 0.796 464 G HN 1.326 nan 8.290 nan 0.000 0.620 465 S N 0.328 115.472 115.700 -0.927 0.000 2.500 465 S HA 0.012 4.482 4.470 0.000 0.000 0.239 465 S C 2.031 176.484 174.600 -0.245 0.000 0.989 465 S CA 0.882 58.419 58.200 -1.106 0.000 0.951 465 S CB -0.110 62.400 63.200 -1.151 0.000 0.759 465 S HN 0.225 nan 8.310 nan 0.000 0.523 466 I N 1.725 122.211 120.570 -0.139 0.000 3.111 466 I HA 0.082 4.252 4.170 0.000 0.000 0.272 466 I C 0.630 176.790 176.117 0.072 0.000 1.268 466 I CA 0.535 61.846 61.300 0.018 0.000 1.467 466 I CB -1.751 36.285 38.000 0.059 0.000 1.087 466 I HN 0.237 nan 8.210 nan 0.000 0.467 467 T N 2.969 117.520 114.554 -0.005 0.000 2.799 467 T HA 0.217 4.567 4.350 0.000 0.000 0.286 467 T C -1.474 173.291 174.700 0.109 0.000 0.973 467 T CA -1.031 61.075 62.100 0.010 0.000 1.035 467 T CB 2.269 71.077 68.868 -0.101 0.000 0.932 467 T HN -0.076 nan 8.240 nan 0.000 0.469 468 P HA -0.148 nan 4.420 nan 0.000 0.215 468 P C 1.839 179.280 177.300 0.235 0.000 1.153 468 P CA 0.772 64.016 63.100 0.240 0.000 0.853 468 P CB -0.159 31.646 31.700 0.175 0.000 0.788 469 V N -2.994 117.006 119.914 0.145 0.000 2.568 469 V HA -0.268 3.852 4.120 0.000 0.000 0.253 469 V C 2.064 178.201 176.094 0.071 0.000 1.072 469 V CA 1.689 64.049 62.300 0.099 0.000 1.084 469 V CB -2.011 29.776 31.823 -0.061 0.000 0.676 469 V HN -0.027 nan 8.190 nan 0.000 0.469 470 F N 1.816 121.677 119.950 -0.148 0.000 2.171 470 F HA -0.092 4.435 4.527 0.000 0.000 0.300 470 F C 2.347 178.239 175.800 0.154 0.000 1.090 470 F CA 2.089 60.047 58.000 -0.069 0.000 1.293 470 F CB -0.335 38.493 39.000 -0.286 0.000 1.013 470 F HN 0.313 nan 8.300 nan 0.000 0.486 471 H N -0.686 118.707 119.070 0.538 0.000 2.533 471 H HA 0.132 4.688 4.556 0.000 0.000 0.271 471 H C 0.194 175.662 175.328 0.234 0.000 1.000 471 H CA 0.216 56.482 56.048 0.364 0.000 1.149 471 H CB -0.247 29.692 29.762 0.294 0.000 1.375 471 H HN 0.270 nan 8.280 nan 0.000 0.582 472 Q N 1.817 121.821 119.800 0.339 0.000 2.325 472 Q HA 0.173 4.513 4.340 0.000 0.000 0.262 472 Q C -0.661 175.493 176.000 0.256 0.000 0.968 472 Q CA -0.455 55.501 55.803 0.255 0.000 0.877 472 Q CB 0.888 29.774 28.738 0.246 0.000 1.253 472 Q HN 0.214 nan 8.270 nan 0.000 0.448 473 E N 4.275 124.554 120.200 0.131 0.000 2.360 473 E HA 0.339 4.689 4.350 0.000 0.000 0.269 473 E C -0.408 176.272 176.600 0.134 0.000 1.022 473 E CA 0.076 56.519 56.400 0.071 0.000 0.887 473 E CB 0.675 30.382 29.700 0.011 0.000 0.990 473 E HN 0.653 nan 8.360 nan 0.000 0.426 474 M N 0.915 120.616 119.600 0.168 0.000 2.531 474 M HA 0.452 4.932 4.480 0.000 0.000 0.286 474 M C -1.554 174.861 176.300 0.191 0.000 1.232 474 M CA -1.277 54.154 55.300 0.218 0.000 0.877 474 M CB 1.263 34.042 32.600 0.299 0.000 1.726 474 M HN 0.129 nan 8.290 nan 0.000 0.463 475 L N 2.254 123.618 121.223 0.235 0.000 2.295 475 L HA 0.493 4.834 4.340 0.000 0.000 0.285 475 L C -0.406 176.571 176.870 0.178 0.000 1.035 475 L CA -0.007 54.994 54.840 0.268 0.000 0.806 475 L CB 1.355 43.661 42.059 0.412 0.000 1.214 475 L HN 0.846 nan 8.230 nan 0.000 0.426 476 N N 3.042 121.838 118.700 0.159 0.000 2.424 476 N HA 0.558 5.298 4.740 0.000 0.000 0.271 476 N C -1.752 173.823 175.510 0.109 0.000 0.985 476 N CA -0.378 52.680 53.050 0.013 0.000 0.921 476 N CB 1.085 39.602 38.487 0.050 0.000 1.149 476 N HN 0.497 nan 8.380 nan 0.000 0.492 477 Y N -0.213 120.080 120.300 -0.011 0.000 2.592 477 Y HA 0.421 4.971 4.550 0.000 0.000 0.334 477 Y C -1.249 174.569 175.900 -0.137 0.000 1.136 477 Y CA -1.222 56.838 58.100 -0.066 0.000 1.042 477 Y CB 0.529 38.954 38.460 -0.058 0.000 1.325 477 Y HN -0.044 nan 8.280 nan 0.000 0.457 478 V N 4.477 124.326 119.914 -0.109 0.000 2.368 478 V HA 0.314 4.435 4.120 0.000 0.000 0.266 478 V C 0.268 176.189 176.094 -0.288 0.000 1.045 478 V CA -0.305 61.693 62.300 -0.503 0.000 0.899 478 V CB 0.110 31.505 31.823 -0.713 0.000 1.006 478 V HN 0.726 nan 8.190 nan 0.000 0.470 479 L N 2.952 124.057 121.223 -0.198 0.000 2.874 479 L HA 0.708 5.049 4.340 0.000 0.000 0.229 479 L C 0.384 177.221 176.870 -0.055 0.000 1.200 479 L CA -0.447 54.367 54.840 -0.044 0.000 0.976 479 L CB 1.383 43.465 42.059 0.038 0.000 1.887 479 L HN 0.596 nan 8.230 nan 0.000 0.543 480 S N -0.199 115.507 115.700 0.010 0.000 2.543 480 S HA 0.487 4.957 4.470 0.000 0.000 0.271 480 S C -2.711 171.926 174.600 0.063 0.000 1.148 480 S CA -1.105 57.115 58.200 0.034 0.000 0.914 480 S CB 1.918 65.122 63.200 0.007 0.000 1.096 480 S HN 0.244 nan 8.310 nan 0.000 0.471 481 P HA 0.345 nan 4.420 nan 0.000 0.270 481 P C -1.024 176.243 177.300 -0.054 0.000 1.227 481 P CA -0.126 62.942 63.100 -0.052 0.000 0.788 481 P CB 0.260 31.864 31.700 -0.161 0.000 0.926 482 F N -0.033 119.717 119.950 -0.332 0.000 2.678 482 F HA 0.374 4.901 4.527 0.000 0.000 0.308 482 F C -1.462 174.021 175.800 -0.528 0.000 1.118 482 F CA -0.883 56.830 58.000 -0.479 0.000 0.959 482 F CB 1.282 39.975 39.000 -0.512 0.000 1.305 482 F HN 0.105 nan 8.300 nan 0.000 0.443 483 Y N 4.720 124.476 120.300 -0.907 0.000 2.518 483 Y HA 0.387 4.937 4.550 0.000 0.000 0.344 483 Y C -0.865 174.667 175.900 -0.613 0.000 0.982 483 Y CA -0.650 57.105 58.100 -0.575 0.000 1.234 483 Y CB -0.000 38.109 38.460 -0.585 0.000 1.114 483 Y HN 0.352 nan 8.280 nan 0.000 0.515 484 Y N 1.332 121.655 120.300 0.037 0.000 2.354 484 Y HA 0.336 4.886 4.550 0.000 0.000 0.322 484 Y C -0.081 175.822 175.900 0.005 0.000 1.253 484 Y CA -0.933 57.209 58.100 0.070 0.000 1.272 484 Y CB 0.690 39.248 38.460 0.164 0.000 1.255 484 Y HN 0.415 nan 8.280 nan 0.000 0.500 485 Y N 0.842 121.289 120.300 0.244 0.000 2.295 485 Y HA 0.337 4.887 4.550 0.000 0.000 0.331 485 Y C -0.031 175.931 175.900 0.104 0.000 1.311 485 Y CA -0.887 57.281 58.100 0.113 0.000 1.430 485 Y CB 0.693 39.190 38.460 0.062 0.000 1.339 485 Y HN 0.444 nan 8.280 nan 0.000 0.552 486 Q N -0.071 119.853 119.800 0.206 0.000 2.418 486 Q HA 0.533 4.873 4.340 0.000 0.000 0.282 486 Q C -1.510 174.462 176.000 -0.048 0.000 1.044 486 Q CA -0.965 54.877 55.803 0.066 0.000 0.813 486 Q CB 1.989 30.748 28.738 0.035 0.000 1.428 486 Q HN 0.545 nan 8.270 nan 0.000 0.402 487 I N 1.776 122.291 120.570 -0.093 0.000 2.752 487 I HA -0.077 4.093 4.170 0.000 0.000 0.289 487 I C 0.236 176.139 176.117 -0.356 0.000 1.197 487 I CA 0.284 61.474 61.300 -0.184 0.000 1.432 487 I CB 0.218 38.128 38.000 -0.150 0.000 1.359 487 I HN 0.597 nan 8.210 nan 0.000 0.571 488 E N 9.088 128.969 120.200 -0.533 0.000 2.606 488 E HA -0.080 4.270 4.350 0.000 0.000 0.248 488 E C -1.287 174.652 176.600 -1.102 0.000 1.005 488 E CA -0.825 54.944 56.400 -1.052 0.000 0.946 488 E CB 0.181 28.986 29.700 -1.492 0.000 0.928 488 E HN 0.444 nan 8.360 nan 0.000 0.494 489 P HA -0.232 nan 4.420 nan 0.000 0.216 489 P C 0.953 177.738 177.300 -0.859 0.000 1.154 489 P CA 1.697 64.221 63.100 -0.960 0.000 0.865 489 P CB -0.192 30.650 31.700 -1.430 0.000 0.789 490 W N 1.239 122.035 121.300 -0.840 0.000 2.421 490 W HA 0.028 4.688 4.660 0.000 0.000 0.270 490 W C 1.761 178.283 176.519 0.005 0.000 1.233 490 W CA 0.752 57.907 57.345 -0.317 0.000 1.226 490 W CB -1.535 27.886 29.460 -0.066 0.000 1.121 490 W HN -0.081 nan 8.180 nan 0.000 0.579 491 K N -0.074 120.200 120.400 -0.210 0.000 2.228 491 K HA -0.018 4.302 4.320 0.000 0.000 0.202 491 K C 0.720 177.329 176.600 0.015 0.000 1.051 491 K CA 1.355 57.620 56.287 -0.038 0.000 0.960 491 K CB -0.063 32.341 32.500 -0.160 0.000 0.743 491 K HN 0.043 nan 8.250 nan 0.000 0.458 492 T N 0.551 115.087 114.554 -0.030 0.000 3.226 492 T HA 0.178 4.528 4.350 0.000 0.000 0.378 492 T C -1.944 172.830 174.700 0.124 0.000 1.380 492 T CA -0.627 61.490 62.100 0.028 0.000 1.396 492 T CB -0.091 68.756 68.868 -0.035 0.000 1.044 492 T HN 0.202 nan 8.240 nan 0.000 0.586 493 H N 2.741 121.863 119.070 0.088 0.000 3.042 493 H HA 0.456 5.012 4.556 0.000 0.000 0.345 493 H C -1.030 174.381 175.328 0.137 0.000 1.052 493 H CA -0.611 55.490 56.048 0.088 0.000 1.311 493 H CB 0.933 30.775 29.762 0.133 0.000 1.810 493 H HN 0.501 nan 8.280 nan 0.000 0.505 494 I N 5.003 125.303 120.570 -0.450 0.000 2.379 494 I HA 0.074 4.244 4.170 0.000 0.000 0.290 494 I C -0.146 175.730 176.117 -0.402 0.000 1.063 494 I CA -0.102 61.047 61.300 -0.251 0.000 1.351 494 I CB 0.317 38.200 38.000 -0.196 0.000 1.410 494 I HN 0.430 nan 8.210 nan 0.000 0.505 495 W N 5.251 126.493 121.300 -0.096 0.000 2.116 495 W HA 0.238 4.898 4.660 0.000 0.000 0.374 495 W C 0.775 177.287 176.519 -0.011 0.000 1.445 495 W CA -0.192 57.153 57.345 0.000 0.000 1.582 495 W CB 0.291 29.804 29.460 0.088 0.000 1.263 495 W HN 0.428 nan 8.180 nan 0.000 0.683 496 Q N 0.000 119.970 119.800 0.283 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.894 55.803 0.152 0.000 1.022 496 Q CB 0.000 28.827 28.738 0.148 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481