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 3e65_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.227 176.000 0.379 0.000 1.003 77 Q CA 0.000 55.885 55.803 0.136 0.000 1.022 77 Q CB 0.000 28.787 28.738 0.082 0.000 1.108 78 Y N -2.358 118.037 120.300 0.158 0.000 2.592 78 Y HA 0.771 5.321 4.550 0.000 0.000 0.334 78 Y C -0.812 175.087 175.900 -0.002 0.000 1.136 78 Y CA -1.837 56.339 58.100 0.126 0.000 1.042 78 Y CB 1.236 39.730 38.460 0.056 0.000 1.325 78 Y HN 0.166 nan 8.280 nan 0.000 0.457 79 V N 3.446 123.438 119.914 0.130 0.000 2.439 79 V HA 0.481 4.601 4.120 0.000 0.000 0.282 79 V C 0.080 176.267 176.094 0.156 0.000 1.039 79 V CA -0.761 61.522 62.300 -0.028 0.000 0.913 79 V CB 1.302 32.965 31.823 -0.266 0.000 0.983 79 V HN 0.822 nan 8.190 nan 0.000 0.460 80 R N 4.339 124.902 120.500 0.105 0.000 2.298 80 R HA 0.478 4.818 4.340 0.000 0.000 0.310 80 R C -1.085 175.278 176.300 0.104 0.000 1.068 80 R CA -0.364 55.835 56.100 0.165 0.000 0.957 80 R CB 0.487 30.854 30.300 0.112 0.000 1.003 80 R HN 0.519 nan 8.270 nan 0.000 0.454 81 I N 4.091 124.721 120.570 0.100 0.000 2.498 81 I HA 0.327 4.497 4.170 0.000 0.000 0.290 81 I C -0.474 175.619 176.117 -0.040 0.000 1.032 81 I CA -0.606 60.717 61.300 0.037 0.000 1.073 81 I CB 1.764 39.779 38.000 0.025 0.000 1.251 81 I HN 0.632 nan 8.210 nan 0.000 0.426 82 K N 4.714 125.074 120.400 -0.066 0.000 2.324 82 K HA 0.395 4.715 4.320 0.000 0.000 0.253 82 K C -0.820 175.665 176.600 -0.192 0.000 0.932 82 K CA -0.587 55.562 56.287 -0.229 0.000 0.799 82 K CB 1.902 34.103 32.500 -0.498 0.000 1.154 82 K HN 0.627 nan 8.250 nan 0.000 0.425 83 N N 3.447 122.039 118.700 -0.180 0.000 2.439 83 N HA 0.171 4.911 4.740 0.000 0.000 0.249 83 N C -0.358 175.119 175.510 -0.055 0.000 1.003 83 N CA -0.659 52.391 53.050 -0.001 0.000 0.942 83 N CB 0.534 39.029 38.487 0.013 0.000 1.115 83 N HN 0.562 nan 8.380 nan 0.000 0.505 84 W N 2.201 123.578 121.300 0.129 0.000 3.077 84 W HA 0.263 4.923 4.660 0.000 0.000 0.245 84 W C 1.854 178.411 176.519 0.063 0.000 1.316 84 W CA -0.318 57.093 57.345 0.110 0.000 1.537 84 W CB 0.383 29.934 29.460 0.152 0.000 1.131 84 W HN 0.669 nan 8.180 nan 0.000 0.695 85 G N -0.827 108.097 108.800 0.207 0.000 2.719 85 G HA2 -0.071 3.889 3.960 0.000 0.000 0.211 85 G HA3 -0.071 3.889 3.960 0.000 0.000 0.211 85 G C 1.356 176.272 174.900 0.026 0.000 1.140 85 G CA 0.929 46.056 45.100 0.045 0.000 0.790 85 G HN 0.234 nan 8.290 nan 0.000 0.529 86 S N -1.972 113.742 115.700 0.024 0.000 2.604 86 S HA 0.399 4.869 4.470 0.000 0.000 0.235 86 S C 1.793 176.368 174.600 -0.041 0.000 1.043 86 S CA 1.027 59.222 58.200 -0.009 0.000 0.997 86 S CB 0.585 63.778 63.200 -0.011 0.000 0.956 86 S HN 1.397 nan 8.310 nan 0.000 0.535 87 G N 1.659 110.416 108.800 -0.072 0.000 2.205 87 G HA2 -0.254 3.706 3.960 0.000 0.000 0.261 87 G HA3 -0.254 3.706 3.960 0.000 0.000 0.261 87 G C -0.124 174.680 174.900 -0.160 0.000 0.980 87 G CA 0.280 45.297 45.100 -0.139 0.000 0.632 87 G HN 0.539 nan 8.290 nan 0.000 0.533 88 E N 0.641 120.767 120.200 -0.124 0.000 2.442 88 E HA 0.274 4.624 4.350 0.000 0.000 0.262 88 E C 0.753 177.257 176.600 -0.160 0.000 1.004 88 E CA 0.317 56.640 56.400 -0.128 0.000 0.928 88 E CB 0.831 30.467 29.700 -0.108 0.000 0.937 88 E HN 0.363 nan 8.360 nan 0.000 0.446 89 I N 3.025 123.503 120.570 -0.154 0.000 2.603 89 I HA 0.416 4.586 4.170 0.000 0.000 0.300 89 I C 0.197 176.209 176.117 -0.175 0.000 1.017 89 I CA -0.739 60.478 61.300 -0.138 0.000 1.098 89 I CB 1.088 39.039 38.000 -0.081 0.000 1.279 89 I HN 0.295 nan 8.210 nan 0.000 0.437 90 L N 4.510 125.652 121.223 -0.135 0.000 2.388 90 L HA 0.460 4.800 4.340 0.000 0.000 0.264 90 L C -0.676 176.269 176.870 0.124 0.000 0.998 90 L CA -0.648 54.081 54.840 -0.186 0.000 0.817 90 L CB 2.538 44.276 42.059 -0.535 0.000 1.338 90 L HN 0.535 nan 8.230 nan 0.000 0.414 91 H N 1.373 120.440 119.070 -0.004 0.000 2.581 91 H HA 0.175 4.731 4.556 0.000 0.000 0.308 91 H C -1.114 174.361 175.328 0.246 0.000 1.040 91 H CA -0.760 55.299 56.048 0.019 0.000 1.231 91 H CB 2.016 31.490 29.762 -0.481 0.000 1.396 91 H HN 0.433 nan 8.280 nan 0.000 0.467 92 D N 2.927 123.592 120.400 0.442 0.000 2.313 92 D HA 0.019 4.659 4.640 0.000 0.000 0.239 92 D C 0.829 177.307 176.300 0.296 0.000 1.142 92 D CA -0.083 54.126 54.000 0.348 0.000 0.847 92 D CB 1.354 42.333 40.800 0.298 0.000 1.082 92 D HN 0.703 nan 8.370 nan 0.000 0.480 93 T N 1.033 115.695 114.554 0.180 0.000 2.969 93 T HA -0.046 4.304 4.350 0.000 0.000 0.250 93 T C 1.882 176.547 174.700 -0.058 0.000 1.021 93 T CA -0.250 61.931 62.100 0.134 0.000 1.003 93 T CB 0.045 69.007 68.868 0.158 0.000 1.040 93 T HN 0.246 nan 8.240 nan 0.000 0.492 94 L N 3.235 124.413 121.223 -0.075 0.000 2.187 94 L HA -0.111 4.229 4.340 0.000 0.000 0.213 94 L C 2.550 179.204 176.870 -0.359 0.000 1.100 94 L CA 1.874 56.634 54.840 -0.133 0.000 0.765 94 L CB -0.922 41.106 42.059 -0.051 0.000 0.904 94 L HN 0.589 nan 8.230 nan 0.000 0.437 95 H N -2.458 116.157 119.070 -0.758 0.000 2.518 95 H HA -0.184 4.372 4.556 0.000 0.000 0.289 95 H C 1.693 176.672 175.328 -0.582 0.000 1.051 95 H CA 1.869 57.194 56.048 -1.206 0.000 1.280 95 H CB -0.972 28.110 29.762 -1.134 0.000 1.380 95 H HN 0.582 nan 8.280 nan 0.000 0.566 96 H N 1.214 119.770 119.070 -0.855 0.000 2.457 96 H HA 0.040 4.596 4.556 0.000 0.000 0.294 96 H C 1.503 176.659 175.328 -0.288 0.000 1.064 96 H CA 1.005 56.722 56.048 -0.552 0.000 1.330 96 H CB 0.324 29.825 29.762 -0.434 0.000 1.395 96 H HN 0.356 nan 8.280 nan 0.000 0.541 97 K N 0.849 121.171 120.400 -0.130 0.000 2.522 97 K HA 0.210 4.530 4.320 0.000 0.000 0.194 97 K C 0.559 177.126 176.600 -0.055 0.000 1.026 97 K CA -0.133 56.117 56.287 -0.063 0.000 1.119 97 K CB 0.610 33.090 32.500 -0.034 0.000 0.856 97 K HN 0.162 nan 8.250 nan 0.000 0.513 98 A N 1.267 124.028 122.820 -0.099 0.000 2.386 98 A HA 0.060 4.380 4.320 0.000 0.000 0.246 98 A C 1.236 178.789 177.584 -0.051 0.000 1.089 98 A CA 0.164 52.173 52.037 -0.046 0.000 0.790 98 A CB 0.172 19.137 19.000 -0.058 0.000 1.042 98 A HN 0.331 nan 8.150 nan 0.000 0.497 99 T N -1.832 112.683 114.554 -0.064 0.000 3.069 99 T HA 0.377 4.727 4.350 0.000 0.000 0.252 99 T C 0.314 174.944 174.700 -0.116 0.000 1.053 99 T CA 0.741 62.789 62.100 -0.085 0.000 0.964 99 T CB -1.294 67.513 68.868 -0.102 0.000 1.005 99 T HN 2.489 nan 8.240 nan 0.000 0.532 100 S N 0.453 116.094 115.700 -0.098 0.000 3.153 100 S HA -0.155 4.315 4.470 0.000 0.000 0.856 100 S C -0.497 173.999 174.600 -0.173 0.000 1.042 100 S CA 0.378 58.508 58.200 -0.116 0.000 1.234 100 S CB -1.613 61.501 63.200 -0.143 0.000 0.879 100 S HN 0.597 nan 8.310 nan 0.000 0.260 101 D N 2.016 122.365 120.400 -0.084 0.000 2.433 101 D HA 0.490 5.130 4.640 0.000 0.000 0.211 101 D C 0.786 177.152 176.300 0.110 0.000 1.114 101 D CA 0.171 54.146 54.000 -0.042 0.000 0.837 101 D CB -0.047 40.755 40.800 0.003 0.000 0.984 101 D HN 0.434 nan 8.370 nan 0.000 0.505 102 F N -0.606 119.352 119.950 0.013 0.000 2.528 102 F HA -0.316 4.211 4.527 0.000 0.000 0.684 102 F C 0.852 176.661 175.800 0.015 0.000 0.489 102 F CA 1.283 59.291 58.000 0.013 0.000 0.863 102 F CB -1.569 37.438 39.000 0.011 0.000 1.704 102 F HN -0.029 nan 8.300 nan 0.000 0.265 109 C N 4.376 123.689 119.300 0.023 0.000 2.592 109 C HA 0.432 4.892 4.460 0.000 0.000 0.408 109 C C 0.806 175.818 174.990 0.037 0.000 1.436 109 C CA 0.046 59.081 59.018 0.028 0.000 1.595 109 C CB -1.557 26.193 27.740 0.017 0.000 2.487 109 C HN 0.712 nan 8.230 nan 0.000 0.610 110 L N 6.719 127.972 121.223 0.049 0.000 3.062 110 L HA 0.339 4.679 4.340 0.000 0.000 0.255 110 L C 1.951 178.866 176.870 0.074 0.000 1.274 110 L CA 0.877 55.753 54.840 0.060 0.000 1.047 110 L CB -0.309 41.787 42.059 0.062 0.000 1.402 110 L HN 1.042 nan 8.230 nan 0.000 0.550 111 G N -0.028 108.814 108.800 0.070 0.000 2.442 111 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 111 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 111 G C 1.551 176.527 174.900 0.126 0.000 1.141 111 G CA 1.166 46.320 45.100 0.089 0.000 0.763 111 G HN 0.526 nan 8.290 nan 0.000 0.554 112 S N -0.065 115.705 115.700 0.116 0.000 2.603 112 S HA 0.272 4.742 4.470 0.000 0.000 0.220 112 S C 0.800 175.491 174.600 0.153 0.000 0.967 112 S CA -0.460 57.826 58.200 0.143 0.000 0.920 112 S CB -0.074 63.189 63.200 0.106 0.000 0.773 112 S HN 0.057 nan 8.310 nan 0.000 0.529 113 I N 2.589 123.242 120.570 0.139 0.000 2.471 113 I HA 0.174 4.344 4.170 0.000 0.000 0.286 113 I C 1.594 177.823 176.117 0.186 0.000 1.079 113 I CA -0.074 61.307 61.300 0.136 0.000 1.398 113 I CB 0.137 38.202 38.000 0.108 0.000 1.403 113 I HN 0.300 nan 8.210 nan 0.000 0.530 114 M N 4.742 124.458 119.600 0.193 0.000 2.064 114 M HA -0.099 4.381 4.480 0.000 0.000 0.260 114 M C 0.329 176.754 176.300 0.208 0.000 1.073 114 M CA 1.621 57.074 55.300 0.256 0.000 1.124 114 M CB -0.165 32.562 32.600 0.211 0.000 1.326 114 M HN 0.510 nan 8.290 nan 0.000 0.410 115 N N 1.336 120.105 118.700 0.115 0.000 2.990 115 N HA 0.318 5.058 4.740 0.000 0.000 0.288 115 N C -2.459 173.131 175.510 0.134 0.000 1.624 115 N CA -0.740 52.366 53.050 0.093 0.000 0.961 115 N CB 0.358 38.792 38.487 -0.088 0.000 1.259 115 N HN 0.262 nan 8.380 nan 0.000 0.489 116 P HA 0.222 nan 4.420 nan 0.000 0.276 116 P C 0.599 177.982 177.300 0.138 0.000 1.244 116 P CA -0.357 62.820 63.100 0.129 0.000 0.801 116 P CB 2.025 33.796 31.700 0.117 0.000 1.006 117 K N 0.443 120.904 120.400 0.101 0.000 2.211 117 K HA -0.109 4.211 4.320 0.000 0.000 0.204 117 K C 2.065 178.722 176.600 0.096 0.000 1.047 117 K CA 1.921 58.261 56.287 0.088 0.000 0.935 117 K CB -0.330 32.207 32.500 0.062 0.000 0.728 117 K HN 0.550 nan 8.250 nan 0.000 0.452 118 S N 0.804 116.561 115.700 0.095 0.000 2.442 118 S HA -0.084 4.386 4.470 0.000 0.000 0.236 118 S C 1.611 176.291 174.600 0.134 0.000 1.007 118 S CA 0.842 59.090 58.200 0.080 0.000 0.965 118 S CB -0.207 63.025 63.200 0.052 0.000 0.773 118 S HN 0.231 nan 8.310 nan 0.000 0.504 119 L N 1.107 122.438 121.223 0.179 0.000 2.667 119 L HA 0.293 4.633 4.340 0.000 0.000 0.232 119 L C -0.114 176.998 176.870 0.403 0.000 1.138 119 L CA -0.063 54.918 54.840 0.235 0.000 0.921 119 L CB 0.153 42.262 42.059 0.084 0.000 1.180 119 L HN 0.188 nan 8.230 nan 0.000 0.487 120 T N -0.001 114.749 114.554 0.326 0.000 2.823 120 T HA 0.463 4.813 4.350 0.000 0.000 0.279 120 T C -0.465 174.265 174.700 0.050 0.000 0.998 120 T CA -0.458 61.793 62.100 0.253 0.000 0.994 120 T CB 2.292 71.264 68.868 0.173 0.000 0.960 120 T HN -0.071 nan 8.240 nan 0.000 0.448 121 R N 1.824 122.317 120.500 -0.012 0.000 2.358 121 R HA 0.589 4.929 4.340 0.000 0.000 0.309 121 R C 0.409 176.662 176.300 -0.080 0.000 1.026 121 R CA -0.397 55.586 56.100 -0.196 0.000 0.909 121 R CB 0.299 30.351 30.300 -0.412 0.000 1.153 121 R HN 0.823 nan 8.270 nan 0.000 0.515 122 G N 3.486 112.240 108.800 -0.078 0.000 2.611 122 G HA2 0.323 4.283 3.960 0.000 0.000 0.273 122 G HA3 0.323 4.283 3.960 0.000 0.000 0.273 122 G C -1.992 172.872 174.900 -0.059 0.000 1.305 122 G CA -0.883 44.181 45.100 -0.061 0.000 1.010 122 G HN 0.595 nan 8.290 nan 0.000 0.509 123 P HA 0.367 nan 4.420 nan 0.000 0.276 123 P C -0.801 176.474 177.300 -0.041 0.000 1.261 123 P CA -0.297 62.773 63.100 -0.048 0.000 0.800 123 P CB 1.261 32.926 31.700 -0.058 0.000 1.066 124 R N 0.154 120.634 120.500 -0.032 0.000 2.808 124 R HA 0.361 4.701 4.340 0.000 0.000 0.272 124 R C -0.288 175.999 176.300 -0.022 0.000 0.995 124 R CA -0.613 55.471 56.100 -0.025 0.000 0.917 124 R CB 1.091 31.379 30.300 -0.020 0.000 1.217 124 R HN 0.392 nan 8.270 nan 0.000 0.471 125 D N -0.379 120.010 120.400 -0.017 0.000 2.500 125 D HA 0.167 4.807 4.640 0.000 0.000 0.217 125 D C -0.369 175.930 176.300 -0.001 0.000 1.159 125 D CA -0.115 53.876 54.000 -0.016 0.000 0.828 125 D CB 0.599 41.386 40.800 -0.021 0.000 1.039 125 D HN 0.214 nan 8.370 nan 0.000 0.512 126 K N -0.028 120.375 120.400 0.004 0.000 2.532 126 K HA 0.480 4.800 4.320 0.000 0.000 0.265 126 K C -2.963 173.645 176.600 0.013 0.000 0.948 126 K CA -1.954 54.340 56.287 0.012 0.000 0.842 126 K CB 2.385 34.889 32.500 0.007 0.000 1.392 126 K HN -0.215 nan 8.250 nan 0.000 0.436 127 P HA 0.011 nan 4.420 nan 0.000 0.271 127 P C -0.757 176.550 177.300 0.011 0.000 1.233 127 P CA -0.135 62.974 63.100 0.016 0.000 0.789 127 P CB 0.348 32.060 31.700 0.019 0.000 0.951 128 T N 3.236 117.797 114.554 0.012 0.000 2.834 128 T HA 0.176 4.526 4.350 0.000 0.000 0.298 128 T C -2.103 172.608 174.700 0.017 0.000 0.966 128 T CA -0.691 61.418 62.100 0.016 0.000 1.141 128 T CB -0.539 68.345 68.868 0.027 0.000 0.905 128 T HN 0.286 nan 8.240 nan 0.000 0.535 129 P HA 0.069 nan 4.420 nan 0.000 0.264 129 P C 0.594 177.894 177.300 -0.001 0.000 1.193 129 P CA -0.273 62.829 63.100 0.003 0.000 0.763 129 P CB 0.429 32.127 31.700 -0.003 0.000 0.810 130 L N 3.335 124.556 121.223 -0.002 0.000 2.127 130 L HA -0.200 4.140 4.340 0.000 0.000 0.211 130 L C 2.285 179.138 176.870 -0.030 0.000 1.089 130 L CA 1.721 56.557 54.840 -0.007 0.000 0.757 130 L CB -1.150 40.907 42.059 -0.003 0.000 0.899 130 L HN 0.504 nan 8.230 nan 0.000 0.434 131 E N -0.129 120.050 120.200 -0.035 0.000 2.268 131 E HA -0.218 4.132 4.350 0.000 0.000 0.195 131 E C 1.466 178.008 176.600 -0.096 0.000 0.995 131 E CA 1.299 57.667 56.400 -0.054 0.000 0.836 131 E CB -0.188 29.488 29.700 -0.040 0.000 0.763 131 E HN 0.639 nan 8.360 nan 0.000 0.491 132 E N 0.304 120.446 120.200 -0.096 0.000 2.127 132 E HA 0.003 4.353 4.350 0.000 0.000 0.191 132 E C 2.129 178.589 176.600 -0.233 0.000 0.964 132 E CA 0.257 56.551 56.400 -0.176 0.000 0.832 132 E CB -0.083 29.579 29.700 -0.063 0.000 0.790 132 E HN 0.096 nan 8.360 nan 0.000 0.465 133 L N 1.605 122.793 121.223 -0.058 0.000 1.994 133 L HA -0.161 4.179 4.340 0.000 0.000 0.208 133 L C 2.244 179.114 176.870 -0.000 0.000 1.071 133 L CA 1.434 56.293 54.840 0.032 0.000 0.745 133 L CB -0.642 41.461 42.059 0.074 0.000 0.892 133 L HN 0.124 nan 8.230 nan 0.000 0.431 134 L N 0.183 121.379 121.223 -0.045 0.000 2.013 134 L HA -0.139 4.201 4.340 0.000 0.000 0.212 134 L C -0.437 176.397 176.870 -0.059 0.000 1.073 134 L CA 2.282 57.086 54.840 -0.061 0.000 0.753 134 L CB -1.913 40.110 42.059 -0.059 0.000 0.890 134 L HN 0.211 nan 8.230 nan 0.000 0.432 135 P HA -0.135 nan 4.420 nan 0.000 0.216 135 P C 1.250 178.557 177.300 0.012 0.000 1.153 135 P CA 1.528 64.572 63.100 -0.092 0.000 0.848 135 P CB -0.180 31.404 31.700 -0.194 0.000 0.787 136 H N -0.648 118.455 119.070 0.056 0.000 2.357 136 H HA 0.049 4.605 4.556 0.000 0.000 0.301 136 H C 1.978 177.397 175.328 0.151 0.000 1.082 136 H CA 1.374 57.479 56.048 0.096 0.000 1.342 136 H CB -1.133 28.680 29.762 0.086 0.000 1.389 136 H HN 0.039 nan 8.280 nan 0.000 0.511 137 A N 1.596 124.552 122.820 0.227 0.000 1.877 137 A HA -0.133 4.187 4.320 0.000 0.000 0.216 137 A C 2.462 180.136 177.584 0.150 0.000 1.186 137 A CA 1.401 53.527 52.037 0.149 0.000 0.620 137 A CB -0.557 18.307 19.000 -0.227 0.000 0.822 137 A HN 0.195 nan 8.150 nan 0.000 0.443 138 I N 0.001 120.620 120.570 0.082 0.000 2.163 138 I HA -0.233 3.937 4.170 0.000 0.000 0.243 138 I C 2.483 178.689 176.117 0.148 0.000 1.085 138 I CA 2.114 63.467 61.300 0.089 0.000 1.347 138 I CB -1.432 36.597 38.000 0.047 0.000 1.044 138 I HN 0.534 nan 8.210 nan 0.000 0.408 139 E N 1.371 121.674 120.200 0.172 0.000 2.049 139 E HA -0.303 4.047 4.350 0.000 0.000 0.198 139 E C 2.236 178.970 176.600 0.224 0.000 1.007 139 E CA 1.769 58.280 56.400 0.186 0.000 0.809 139 E CB -0.667 29.159 29.700 0.210 0.000 0.749 139 E HN 0.355 nan 8.360 nan 0.000 0.450 140 F N 0.667 120.713 119.950 0.159 0.000 2.102 140 F HA -0.123 4.404 4.527 0.000 0.000 0.298 140 F C 1.924 177.841 175.800 0.195 0.000 1.105 140 F CA 1.359 59.471 58.000 0.186 0.000 1.239 140 F CB -0.291 38.836 39.000 0.211 0.000 0.991 140 F HN 0.068 nan 8.300 nan 0.000 0.474 141 I N 0.980 121.563 120.570 0.022 0.000 2.208 141 I HA -0.325 3.845 4.170 0.000 0.000 0.245 141 I C 1.967 178.069 176.117 -0.025 0.000 1.097 141 I CA 1.300 62.589 61.300 -0.020 0.000 1.363 141 I CB -1.674 36.433 38.000 0.177 0.000 1.051 141 I HN 0.248 nan 8.210 nan 0.000 0.413 142 N N 0.703 119.437 118.700 0.057 0.000 2.166 142 N HA -0.217 4.523 4.740 0.000 0.000 0.186 142 N C 1.842 177.311 175.510 -0.068 0.000 1.019 142 N CA 0.992 54.088 53.050 0.078 0.000 0.856 142 N CB -0.394 38.197 38.487 0.172 0.000 0.993 142 N HN 0.519 nan 8.380 nan 0.000 0.426 143 Q N -0.421 119.329 119.800 -0.084 0.000 2.079 143 Q HA -0.179 4.161 4.340 0.000 0.000 0.200 143 Q C 1.996 177.790 176.000 -0.343 0.000 0.974 143 Q CA 1.097 56.846 55.803 -0.090 0.000 0.840 143 Q CB -0.185 28.599 28.738 0.078 0.000 0.898 143 Q HN 0.495 nan 8.270 nan 0.000 0.430 144 Y N -0.147 119.687 120.300 -0.776 0.000 2.070 144 Y HA -0.330 4.220 4.550 0.000 0.000 0.280 144 Y C 1.699 176.890 175.900 -1.183 0.000 1.148 144 Y CA 2.153 59.450 58.100 -1.339 0.000 1.125 144 Y CB -0.452 37.261 38.460 -1.246 0.000 0.975 144 Y HN 0.175 nan 8.280 nan 0.000 0.492 145 Y N 0.005 119.837 120.300 -0.780 0.000 2.421 145 Y HA -0.050 4.500 4.550 0.000 0.000 0.292 145 Y C 2.509 178.157 175.900 -0.419 0.000 1.136 145 Y CA 1.152 58.912 58.100 -0.567 0.000 1.255 145 Y CB -0.747 37.347 38.460 -0.611 0.000 0.991 145 Y HN 0.274 nan 8.280 nan 0.000 0.552 146 G N -1.438 107.178 108.800 -0.306 0.000 2.744 146 G HA2 -0.136 3.824 3.960 0.000 0.000 0.211 146 G HA3 -0.136 3.824 3.960 0.000 0.000 0.211 146 G C 1.596 176.355 174.900 -0.235 0.000 1.143 146 G CA 0.834 45.839 45.100 -0.159 0.000 0.788 146 G HN 0.452 nan 8.290 nan 0.000 0.534 147 S N -0.232 115.155 115.700 -0.522 0.000 2.501 147 S HA 0.277 4.747 4.470 0.000 0.000 0.220 147 S C 0.561 174.913 174.600 -0.413 0.000 0.997 147 S CA -0.591 57.333 58.200 -0.460 0.000 0.919 147 S CB -0.207 62.637 63.200 -0.593 0.000 0.778 147 S HN -0.000 nan 8.310 nan 0.000 0.523 148 F N 3.061 122.847 119.950 -0.272 0.000 2.518 148 F HA 0.360 4.887 4.527 0.000 0.000 0.359 148 F C 1.656 177.396 175.800 -0.100 0.000 1.118 148 F CA -0.752 57.130 58.000 -0.197 0.000 1.287 148 F CB 0.597 39.468 39.000 -0.214 0.000 1.132 148 F HN 0.050 nan 8.300 nan 0.000 0.587 149 K N 1.149 121.632 120.400 0.137 0.000 2.097 149 K HA -0.069 4.251 4.320 0.000 0.000 0.205 149 K C -0.232 176.405 176.600 0.062 0.000 1.050 149 K CA 1.299 57.628 56.287 0.070 0.000 0.938 149 K CB 0.110 32.642 32.500 0.054 0.000 0.718 149 K HN 0.672 nan 8.250 nan 0.000 0.442 150 E N 0.877 121.116 120.200 0.066 0.000 2.149 150 E HA 0.274 4.624 4.350 0.000 0.000 0.255 150 E C -1.266 175.350 176.600 0.026 0.000 0.888 150 E CA -0.653 55.763 56.400 0.027 0.000 0.742 150 E CB 1.676 31.372 29.700 -0.006 0.000 1.164 150 E HN 0.305 nan 8.360 nan 0.000 0.422 151 A N 3.662 126.514 122.820 0.054 0.000 2.555 151 A HA -0.027 4.293 4.320 0.000 0.000 0.233 151 A C 0.135 177.731 177.584 0.019 0.000 1.060 151 A CA 0.478 52.562 52.037 0.078 0.000 0.759 151 A CB 0.190 19.239 19.000 0.082 0.000 0.995 151 A HN 0.593 nan 8.150 nan 0.000 0.506 152 K N 2.960 123.384 120.400 0.040 0.000 2.762 152 K HA 0.313 4.633 4.320 0.000 0.000 0.180 152 K C 0.471 177.080 176.600 0.016 0.000 1.067 152 K CA -0.201 56.080 56.287 -0.011 0.000 0.973 152 K CB 0.505 32.955 32.500 -0.083 0.000 1.290 152 K HN 0.704 nan 8.250 nan 0.000 0.604 153 I N 0.757 121.334 120.570 0.012 0.000 2.145 153 I HA -0.402 3.768 4.170 0.000 0.000 0.244 153 I C 2.465 178.542 176.117 -0.067 0.000 1.075 153 I CA 1.714 63.005 61.300 -0.014 0.000 1.332 153 I CB -0.093 37.890 38.000 -0.029 0.000 1.033 153 I HN 0.614 nan 8.210 nan 0.000 0.410 154 E N 1.150 121.314 120.200 -0.060 0.000 2.051 154 E HA -0.254 4.096 4.350 0.000 0.000 0.192 154 E C 2.074 178.621 176.600 -0.088 0.000 0.991 154 E CA 1.458 57.818 56.400 -0.067 0.000 0.799 154 E CB 0.009 29.682 29.700 -0.045 0.000 0.748 154 E HN 0.484 nan 8.360 nan 0.000 0.449 155 E N -0.539 119.608 120.200 -0.088 0.000 2.085 155 E HA -0.254 4.096 4.350 0.000 0.000 0.194 155 E C 2.045 178.417 176.600 -0.380 0.000 0.994 155 E CA 1.306 57.645 56.400 -0.102 0.000 0.801 155 E CB -0.304 29.428 29.700 0.054 0.000 0.743 155 E HN 0.498 nan 8.360 nan 0.000 0.453 156 H N 0.467 119.061 119.070 -0.792 0.000 2.267 156 H HA -0.150 4.406 4.556 0.000 0.000 0.297 156 H C 2.216 177.258 175.328 -0.478 0.000 1.080 156 H CA 1.041 56.439 56.048 -1.083 0.000 1.278 156 H CB 0.168 29.563 29.762 -0.611 0.000 1.365 156 H HN 0.043 nan 8.280 nan 0.000 0.489 157 L N 0.628 121.733 121.223 -0.197 0.000 2.012 157 L HA -0.180 4.160 4.340 0.000 0.000 0.210 157 L C 2.971 179.786 176.870 -0.091 0.000 1.073 157 L CA 1.594 56.334 54.840 -0.166 0.000 0.748 157 L CB -1.720 40.249 42.059 -0.150 0.000 0.891 157 L HN 0.477 nan 8.230 nan 0.000 0.431 158 A N -0.111 122.661 122.820 -0.080 0.000 1.883 158 A HA -0.271 4.049 4.320 0.000 0.000 0.217 158 A C 2.434 180.018 177.584 -0.001 0.000 1.186 158 A CA 1.972 53.989 52.037 -0.033 0.000 0.624 158 A CB -0.511 18.477 19.000 -0.019 0.000 0.822 158 A HN 0.304 nan 8.150 nan 0.000 0.444 159 R N -0.006 120.497 120.500 0.004 0.000 2.081 159 R HA -0.013 4.327 4.340 0.000 0.000 0.235 159 R C 1.925 178.270 176.300 0.075 0.000 1.131 159 R CA 1.621 57.776 56.100 0.091 0.000 0.960 159 R CB -0.941 29.493 30.300 0.223 0.000 0.856 159 R HN 0.530 nan 8.270 nan 0.000 0.436 160 L N 0.211 121.466 121.223 0.052 0.000 2.042 160 L HA -0.199 4.141 4.340 0.000 0.000 0.210 160 L C 2.575 179.444 176.870 -0.002 0.000 1.076 160 L CA 2.096 56.958 54.840 0.036 0.000 0.749 160 L CB -0.535 41.534 42.059 0.017 0.000 0.893 160 L HN 0.429 nan 8.230 nan 0.000 0.432 161 E N 0.152 120.347 120.200 -0.009 0.000 2.047 161 E HA -0.234 4.116 4.350 0.000 0.000 0.191 161 E C 2.230 178.830 176.600 0.000 0.000 0.987 161 E CA 1.138 57.531 56.400 -0.012 0.000 0.799 161 E CB -0.037 29.654 29.700 -0.015 0.000 0.752 161 E HN 0.431 nan 8.360 nan 0.000 0.449 162 A N 0.660 123.491 122.820 0.019 0.000 1.908 162 A HA -0.164 4.156 4.320 0.000 0.000 0.218 162 A C 2.419 180.024 177.584 0.035 0.000 1.181 162 A CA 1.663 53.722 52.037 0.036 0.000 0.627 162 A CB -0.783 18.253 19.000 0.060 0.000 0.818 162 A HN 0.245 nan 8.150 nan 0.000 0.445 163 V N -0.272 119.650 119.914 0.015 0.000 2.261 163 V HA -0.239 3.881 4.120 0.000 0.000 0.246 163 V C 2.763 178.803 176.094 -0.091 0.000 1.047 163 V CA 2.503 64.766 62.300 -0.060 0.000 1.015 163 V CB -1.390 30.321 31.823 -0.187 0.000 0.642 163 V HN 0.626 nan 8.190 nan 0.000 0.446 164 T N -0.366 114.145 114.554 -0.072 0.000 2.635 164 T HA -0.255 4.095 4.350 0.000 0.000 0.267 164 T C 2.023 176.708 174.700 -0.024 0.000 1.040 164 T CA 1.738 63.804 62.100 -0.056 0.000 1.156 164 T CB -0.295 68.548 68.868 -0.041 0.000 0.863 164 T HN 0.250 nan 8.240 nan 0.000 0.430 165 K N 1.069 121.465 120.400 -0.007 0.000 2.057 165 K HA -0.041 4.279 4.320 0.000 0.000 0.207 165 K C 2.240 178.853 176.600 0.022 0.000 1.049 165 K CA 1.231 57.523 56.287 0.007 0.000 0.931 165 K CB -0.363 32.144 32.500 0.012 0.000 0.714 165 K HN 0.519 nan 8.250 nan 0.000 0.440 166 E N 0.154 120.375 120.200 0.036 0.000 2.072 166 E HA -0.136 4.215 4.350 0.000 0.000 0.191 166 E C 1.845 178.488 176.600 0.071 0.000 0.985 166 E CA 1.006 57.446 56.400 0.067 0.000 0.801 166 E CB -0.027 29.742 29.700 0.114 0.000 0.750 166 E HN 0.238 nan 8.360 nan 0.000 0.452 167 I N 0.944 121.545 120.570 0.052 0.000 2.252 167 I HA -0.247 3.923 4.170 0.000 0.000 0.245 167 I C 2.217 178.354 176.117 0.033 0.000 1.102 167 I CA 1.276 62.606 61.300 0.052 0.000 1.385 167 I CB -0.240 37.761 38.000 0.002 0.000 1.064 167 I HN 0.169 nan 8.210 nan 0.000 0.414 168 E N 0.245 120.455 120.200 0.017 0.000 2.072 168 E HA -0.198 4.152 4.350 0.000 0.000 0.191 168 E C 2.149 178.760 176.600 0.018 0.000 0.985 168 E CA 1.987 58.394 56.400 0.012 0.000 0.801 168 E CB -0.141 29.562 29.700 0.005 0.000 0.750 168 E HN 0.588 nan 8.360 nan 0.000 0.452 169 T N -1.772 112.797 114.554 0.024 0.000 3.014 169 T HA -0.048 4.302 4.350 0.000 0.000 0.263 169 T C 2.048 176.766 174.700 0.029 0.000 1.078 169 T CA 1.350 63.465 62.100 0.024 0.000 1.135 169 T CB -0.057 68.826 68.868 0.025 0.000 0.895 169 T HN 0.211 nan 8.240 nan 0.000 0.480 170 T N -3.143 111.434 114.554 0.039 0.000 2.969 170 T HA 0.524 4.874 4.350 0.000 0.000 0.250 170 T C 1.893 176.617 174.700 0.040 0.000 1.021 170 T CA 0.754 62.878 62.100 0.040 0.000 1.003 170 T CB 0.029 68.928 68.868 0.051 0.000 1.040 170 T HN 0.915 nan 8.240 nan 0.000 0.492 171 G N 0.186 109.014 108.800 0.046 0.000 2.176 171 G HA2 -0.111 3.849 3.960 0.000 0.000 0.232 171 G HA3 -0.111 3.849 3.960 0.000 0.000 0.232 171 G C 0.198 175.137 174.900 0.065 0.000 0.986 171 G CA 0.556 45.683 45.100 0.044 0.000 0.643 171 G HN 1.062 nan 8.290 nan 0.000 0.522 172 T N -1.495 113.117 114.554 0.097 0.000 2.661 172 T HA 0.656 5.006 4.350 0.000 0.000 0.305 172 T C -1.816 173.040 174.700 0.260 0.000 1.535 172 T CA 0.600 62.795 62.100 0.157 0.000 1.000 172 T CB 1.029 69.934 68.868 0.062 0.000 1.811 172 T HN 1.739 nan 8.240 nan 0.000 0.471 173 Y N -0.203 120.106 120.300 0.015 0.000 2.624 173 Y HA 0.793 5.343 4.550 0.000 0.000 0.334 173 Y C -1.557 174.365 175.900 0.038 0.000 1.155 173 Y CA -1.191 56.929 58.100 0.034 0.000 1.046 173 Y CB 0.922 39.413 38.460 0.053 0.000 1.316 173 Y HN 0.436 nan 8.280 nan 0.000 0.457 174 Q N 2.835 122.635 119.800 -0.000 0.000 2.293 174 Q HA 0.489 4.829 4.340 0.000 0.000 0.261 174 Q C -0.770 175.220 176.000 -0.015 0.000 0.960 174 Q CA -0.713 55.047 55.803 -0.073 0.000 0.882 174 Q CB 2.638 31.385 28.738 0.016 0.000 1.275 174 Q HN 0.857 nan 8.270 nan 0.000 0.445 175 L N 1.700 122.883 121.223 -0.066 0.000 2.417 175 L HA 0.250 4.590 4.340 0.000 0.000 0.268 175 L C 1.193 178.088 176.870 0.042 0.000 1.158 175 L CA -0.352 54.511 54.840 0.038 0.000 0.819 175 L CB 0.523 42.598 42.059 0.027 0.000 1.112 175 L HN 0.663 nan 8.230 nan 0.000 0.458 176 T N -0.858 113.719 114.554 0.038 0.000 2.828 176 T HA 0.108 4.458 4.350 0.000 0.000 0.290 176 T C 0.965 175.661 174.700 -0.007 0.000 1.019 176 T CA -0.701 61.408 62.100 0.016 0.000 1.031 176 T CB 0.981 69.853 68.868 0.006 0.000 1.001 176 T HN 0.465 nan 8.240 nan 0.000 0.531 177 L N 0.798 122.022 121.223 0.001 0.000 2.012 177 L HA -0.041 4.299 4.340 0.000 0.000 0.210 177 L C 2.018 178.893 176.870 0.008 0.000 1.073 177 L CA 1.987 56.823 54.840 -0.007 0.000 0.748 177 L CB -1.248 40.810 42.059 -0.003 0.000 0.891 177 L HN 0.738 nan 8.230 nan 0.000 0.431 178 D N -0.385 120.033 120.400 0.030 0.000 2.144 178 D HA -0.185 4.455 4.640 0.000 0.000 0.199 178 D C 2.107 178.446 176.300 0.065 0.000 0.984 178 D CA 1.400 55.457 54.000 0.094 0.000 0.834 178 D CB 0.009 40.917 40.800 0.180 0.000 0.955 178 D HN 0.552 nan 8.370 nan 0.000 0.465 179 E N -0.092 120.012 120.200 -0.160 0.000 2.106 179 E HA -0.129 4.221 4.350 0.000 0.000 0.192 179 E C 2.021 178.726 176.600 0.176 0.000 0.984 179 E CA 0.216 56.492 56.400 -0.207 0.000 0.806 179 E CB -0.013 29.557 29.700 -0.217 0.000 0.750 179 E HN 0.102 nan 8.360 nan 0.000 0.458 180 L N 1.134 122.391 121.223 0.057 0.000 2.056 180 L HA -0.133 4.207 4.340 0.000 0.000 0.207 180 L C 1.995 178.876 176.870 0.018 0.000 1.078 180 L CA 1.462 56.293 54.840 -0.014 0.000 0.749 180 L CB -0.223 41.771 42.059 -0.109 0.000 0.901 180 L HN 0.113 nan 8.230 nan 0.000 0.433 181 I N -1.256 119.351 120.570 0.060 0.000 2.163 181 I HA -0.348 3.822 4.170 0.000 0.000 0.243 181 I C 2.401 178.622 176.117 0.174 0.000 1.085 181 I CA 1.885 63.233 61.300 0.080 0.000 1.347 181 I CB -0.460 37.593 38.000 0.089 0.000 1.044 181 I HN 0.319 nan 8.210 nan 0.000 0.408 182 F N 1.707 121.733 119.950 0.127 0.000 2.126 182 F HA -0.260 4.267 4.527 0.000 0.000 0.299 182 F C 2.488 178.394 175.800 0.177 0.000 1.096 182 F CA 1.598 59.707 58.000 0.181 0.000 1.255 182 F CB -0.195 38.967 39.000 0.269 0.000 0.997 182 F HN 0.006 nan 8.300 nan 0.000 0.479 183 A N 0.056 122.996 122.820 0.199 0.000 1.902 183 A HA -0.218 4.102 4.320 0.000 0.000 0.217 183 A C 2.252 179.745 177.584 -0.152 0.000 1.181 183 A CA 2.482 54.517 52.037 -0.003 0.000 0.623 183 A CB -1.640 17.323 19.000 -0.062 0.000 0.818 183 A HN 0.557 nan 8.150 nan 0.000 0.443 184 T N -1.880 112.628 114.554 -0.078 0.000 2.777 184 T HA -0.122 4.228 4.350 0.000 0.000 0.266 184 T C 1.832 176.568 174.700 0.060 0.000 1.040 184 T CA 1.625 63.712 62.100 -0.022 0.000 1.141 184 T CB -0.285 68.588 68.868 0.009 0.000 0.868 184 T HN 0.512 nan 8.240 nan 0.000 0.444 185 K N 0.092 120.539 120.400 0.078 0.000 2.057 185 K HA 0.116 4.436 4.320 0.000 0.000 0.206 185 K C 2.496 179.100 176.600 0.007 0.000 1.050 185 K CA 1.121 57.541 56.287 0.221 0.000 0.935 185 K CB -0.191 32.500 32.500 0.318 0.000 0.715 185 K HN 0.228 nan 8.250 nan 0.000 0.439 186 M N 0.339 119.768 119.600 -0.285 0.000 2.175 186 M HA -0.065 4.415 4.480 0.000 0.000 0.264 186 M C 2.367 178.478 176.300 -0.314 0.000 1.063 186 M CA 1.334 56.371 55.300 -0.439 0.000 1.119 186 M CB -0.969 31.252 32.600 -0.632 0.000 1.377 186 M HN 0.144 nan 8.290 nan 0.000 0.415 187 A N -0.853 121.766 122.820 -0.335 0.000 1.930 187 A HA -0.198 4.122 4.320 0.000 0.000 0.217 187 A C 2.011 179.426 177.584 -0.282 0.000 1.175 187 A CA 1.248 52.964 52.037 -0.535 0.000 0.627 187 A CB -1.041 17.262 19.000 -1.162 0.000 0.815 187 A HN 0.660 nan 8.150 nan 0.000 0.443 188 W N 1.135 122.318 121.300 -0.196 0.000 2.379 188 W HA -0.107 4.553 4.660 0.000 0.000 0.307 188 W C 2.229 178.642 176.519 -0.177 0.000 1.200 188 W CA 1.494 58.782 57.345 -0.095 0.000 1.297 188 W CB -0.701 28.725 29.460 -0.057 0.000 1.140 188 W HN 0.313 nan 8.180 nan 0.000 0.507 189 R N -0.126 120.284 120.500 -0.151 0.000 2.139 189 R HA -0.184 4.156 4.340 0.000 0.000 0.243 189 R C 1.414 177.586 176.300 -0.212 0.000 1.145 189 R CA 1.577 57.461 56.100 -0.360 0.000 0.976 189 R CB -0.601 29.317 30.300 -0.637 0.000 0.866 189 R HN 0.136 nan 8.270 nan 0.000 0.449 190 N N 0.212 118.800 118.700 -0.188 0.000 2.383 190 N HA 0.045 4.785 4.740 0.000 0.000 0.192 190 N C -0.509 174.897 175.510 -0.172 0.000 1.141 190 N CA 0.238 53.206 53.050 -0.135 0.000 0.851 190 N CB 0.665 39.107 38.487 -0.074 0.000 0.976 190 N HN 0.117 nan 8.380 nan 0.000 0.465 191 A N 1.540 124.246 122.820 -0.190 0.000 2.437 191 A HA 0.357 4.677 4.320 0.000 0.000 0.303 191 A C -1.390 176.105 177.584 -0.149 0.000 1.324 191 A CA -1.127 50.749 52.037 -0.270 0.000 0.983 191 A CB 0.574 19.480 19.000 -0.157 0.000 1.142 191 A HN -0.030 nan 8.150 nan 0.000 0.541 192 P HA -0.092 nan 4.420 nan 0.000 0.222 192 P C 1.038 178.265 177.300 -0.121 0.000 1.147 192 P CA 1.040 64.077 63.100 -0.106 0.000 0.790 192 P CB 0.186 31.825 31.700 -0.102 0.000 0.780 193 R N -2.041 118.344 120.500 -0.191 0.000 2.317 193 R HA 0.159 4.499 4.340 0.000 0.000 0.208 193 R C 0.171 176.462 176.300 -0.015 0.000 0.914 193 R CA -0.135 55.877 56.100 -0.146 0.000 1.060 193 R CB -0.393 29.603 30.300 -0.507 0.000 1.015 193 R HN 0.179 nan 8.270 nan 0.000 0.498 194 C N 0.793 120.064 119.300 -0.048 0.000 2.285 194 C HA 0.319 4.779 4.460 0.000 0.000 0.335 194 C C 1.740 176.699 174.990 -0.051 0.000 1.267 194 C CA -0.807 58.217 59.018 0.010 0.000 1.762 194 C CB -0.444 27.361 27.740 0.109 0.000 2.365 194 C HN 0.552 nan 8.230 nan 0.000 0.527 195 I N 4.205 124.728 120.570 -0.079 0.000 3.251 195 I HA 0.160 4.330 4.170 0.000 0.000 0.277 195 I C 1.803 177.972 176.117 0.087 0.000 1.268 195 I CA 1.013 62.231 61.300 -0.137 0.000 1.449 195 I CB 0.072 37.988 38.000 -0.140 0.000 1.083 195 I HN 0.930 nan 8.210 nan 0.000 0.464 196 G N 0.081 108.923 108.800 0.071 0.000 3.371 196 G HA2 0.038 3.998 3.960 0.000 0.000 0.248 196 G HA3 0.038 3.998 3.960 0.000 0.000 0.248 196 G C 1.231 176.106 174.900 -0.042 0.000 1.161 196 G CA -0.372 44.753 45.100 0.042 0.000 0.796 196 G HN 0.259 nan 8.290 nan 0.000 0.539 197 R N -0.209 120.199 120.500 -0.153 0.000 2.341 197 R HA 0.087 4.427 4.340 0.000 0.000 0.213 197 R C 1.935 177.707 176.300 -0.880 0.000 1.082 197 R CA 0.227 55.926 56.100 -0.668 0.000 1.017 197 R CB -0.162 29.769 30.300 -0.614 0.000 0.860 197 R HN 0.443 nan 8.270 nan 0.000 0.473 198 I N 0.686 120.943 120.570 -0.522 0.000 2.614 198 I HA -0.219 3.951 4.170 0.000 0.000 0.258 198 I C 1.377 177.333 176.117 -0.268 0.000 1.189 198 I CA 1.143 62.300 61.300 -0.239 0.000 1.462 198 I CB 0.177 38.161 38.000 -0.027 0.000 1.092 198 I HN 0.190 nan 8.210 nan 0.000 0.442 199 Q N 0.567 120.139 119.800 -0.379 0.000 2.403 199 Q HA -0.102 4.238 4.340 0.000 0.000 0.203 199 Q C 1.605 177.149 176.000 -0.760 0.000 0.932 199 Q CA 0.304 55.885 55.803 -0.370 0.000 0.945 199 Q CB -0.166 28.508 28.738 -0.107 0.000 1.045 199 Q HN 0.769 nan 8.270 nan 0.000 0.511 200 W N 1.201 121.746 121.300 -1.258 0.000 2.296 200 W HA -0.265 4.395 4.660 0.000 0.000 0.296 200 W C 1.228 177.478 176.519 -0.449 0.000 1.220 200 W CA 1.568 58.078 57.345 -1.393 0.000 1.223 200 W CB -1.156 27.700 29.460 -1.008 0.000 1.139 200 W HN 0.176 nan 8.180 nan 0.000 0.534 201 S N 0.219 115.210 115.700 -1.183 0.000 2.527 201 S HA -0.035 4.435 4.470 0.000 0.000 0.222 201 S C 0.655 175.048 174.600 -0.344 0.000 0.985 201 S CA 0.313 57.933 58.200 -0.967 0.000 0.921 201 S CB -0.564 61.841 63.200 -1.326 0.000 0.772 201 S HN 0.177 nan 8.310 nan 0.000 0.529 202 N N 1.382 119.967 118.700 -0.192 0.000 2.678 202 N HA 0.508 5.248 4.740 0.000 0.000 0.231 202 N C -1.466 174.143 175.510 0.165 0.000 1.038 202 N CA -0.522 52.525 53.050 -0.005 0.000 0.932 202 N CB 0.646 39.144 38.487 0.019 0.000 1.176 202 N HN 0.422 nan 8.380 nan 0.000 0.511 203 L N 2.178 123.468 121.223 0.111 0.000 2.505 203 L HA 0.426 4.766 4.340 0.000 0.000 0.266 203 L C -1.025 175.812 176.870 -0.056 0.000 0.954 203 L CA -0.620 54.272 54.840 0.086 0.000 0.852 203 L CB 1.927 44.092 42.059 0.178 0.000 1.282 203 L HN 0.337 nan 8.230 nan 0.000 0.403 204 Q N 3.073 122.780 119.800 -0.155 0.000 2.267 204 Q HA 0.620 4.960 4.340 0.000 0.000 0.255 204 Q C -1.664 173.991 176.000 -0.575 0.000 0.923 204 Q CA -0.175 55.372 55.803 -0.427 0.000 0.925 204 Q CB 1.534 29.863 28.738 -0.681 0.000 1.195 204 Q HN 0.536 nan 8.270 nan 0.000 0.417 205 V N 5.920 125.496 119.914 -0.563 0.000 2.357 205 V HA 0.416 4.536 4.120 0.000 0.000 0.284 205 V C -0.892 174.877 176.094 -0.542 0.000 1.018 205 V CA -0.570 61.457 62.300 -0.454 0.000 0.841 205 V CB 0.608 32.291 31.823 -0.235 0.000 0.991 205 V HN 0.670 nan 8.190 nan 0.000 0.437 206 F N 2.727 122.523 119.950 -0.257 0.000 2.361 206 F HA 0.369 4.896 4.527 0.000 0.000 0.364 206 F C 0.523 176.151 175.800 -0.287 0.000 1.120 206 F CA -1.121 56.724 58.000 -0.258 0.000 1.102 206 F CB 0.994 39.837 39.000 -0.262 0.000 1.183 206 F HN 0.425 nan 8.300 nan 0.000 0.476 207 D N 3.404 123.771 120.400 -0.056 0.000 2.374 207 D HA 0.359 4.999 4.640 0.000 0.000 0.240 207 D C 0.135 176.302 176.300 -0.222 0.000 1.229 207 D CA 0.158 54.070 54.000 -0.147 0.000 0.895 207 D CB 0.935 41.682 40.800 -0.089 0.000 1.046 207 D HN 0.597 nan 8.370 nan 0.000 0.498 208 A N 4.556 127.122 122.820 -0.424 0.000 2.701 208 A HA 0.173 4.493 4.320 0.000 0.000 0.297 208 A C 1.558 178.936 177.584 -0.342 0.000 1.197 208 A CA -0.425 51.235 52.037 -0.628 0.000 0.963 208 A CB 0.036 18.224 19.000 -1.352 0.000 1.175 208 A HN 0.520 nan 8.150 nan 0.000 0.531 209 R N 0.828 121.210 120.500 -0.198 0.000 2.316 209 R HA -0.081 4.259 4.340 0.000 0.000 0.202 209 R C 1.081 177.335 176.300 -0.076 0.000 1.029 209 R CA 1.142 57.181 56.100 -0.101 0.000 1.018 209 R CB 0.036 30.324 30.300 -0.021 0.000 0.888 209 R HN 0.710 nan 8.270 nan 0.000 0.471 210 N N -0.332 118.336 118.700 -0.053 0.000 2.280 210 N HA -0.052 4.688 4.740 0.000 0.000 0.192 210 N C 0.253 175.789 175.510 0.043 0.000 1.109 210 N CA -0.227 52.827 53.050 0.007 0.000 0.855 210 N CB -0.388 38.119 38.487 0.034 0.000 0.974 210 N HN -0.001 nan 8.380 nan 0.000 0.482 211 C N 1.600 120.906 119.300 0.011 0.000 2.657 211 C HA 0.330 4.790 4.460 0.000 0.000 0.420 211 C C 1.844 176.943 174.990 0.181 0.000 1.323 211 C CA 0.584 59.676 59.018 0.124 0.000 1.894 211 C CB -0.220 27.626 27.740 0.177 0.000 2.681 211 C HN 0.656 nan 8.230 nan 0.000 0.613 212 S N 1.970 117.859 115.700 0.315 0.000 2.691 212 S HA 0.204 4.674 4.470 0.000 0.000 0.258 212 S C 0.346 175.145 174.600 0.332 0.000 1.078 212 S CA 0.465 58.899 58.200 0.391 0.000 1.000 212 S CB -0.153 63.181 63.200 0.224 0.000 0.942 212 S HN 1.037 nan 8.310 nan 0.000 0.521 213 T N -1.484 113.228 114.554 0.264 0.000 2.926 213 T HA 0.841 5.191 4.350 0.000 0.000 0.289 213 T C 1.218 176.012 174.700 0.156 0.000 1.054 213 T CA -0.185 62.016 62.100 0.168 0.000 1.015 213 T CB 1.459 70.407 68.868 0.133 0.000 1.167 213 T HN 0.245 nan 8.240 nan 0.000 0.526 214 A N 0.369 123.253 122.820 0.107 0.000 1.930 214 A HA -0.037 4.283 4.320 0.000 0.000 0.217 214 A C 2.312 179.863 177.584 -0.054 0.000 1.175 214 A CA 1.990 54.072 52.037 0.076 0.000 0.627 214 A CB -1.216 17.927 19.000 0.238 0.000 0.815 214 A HN 0.887 nan 8.150 nan 0.000 0.443 215 Q N 0.353 120.211 119.800 0.096 0.000 2.096 215 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 215 Q C 1.759 177.783 176.000 0.040 0.000 0.982 215 Q CA 2.376 58.218 55.803 0.065 0.000 0.850 215 Q CB -0.426 28.423 28.738 0.186 0.000 0.901 215 Q HN 0.741 nan 8.270 nan 0.000 0.422 216 E N -0.700 119.554 120.200 0.089 0.000 2.150 216 E HA -0.153 4.197 4.350 0.000 0.000 0.193 216 E C 1.997 178.718 176.600 0.202 0.000 0.985 216 E CA 1.177 57.646 56.400 0.115 0.000 0.814 216 E CB -0.101 29.710 29.700 0.186 0.000 0.752 216 E HN 0.453 nan 8.360 nan 0.000 0.466 217 M N -0.204 119.500 119.600 0.174 0.000 2.086 217 M HA -0.151 4.329 4.480 0.000 0.000 0.261 217 M C 2.132 178.508 176.300 0.127 0.000 1.067 217 M CA 1.204 56.612 55.300 0.181 0.000 1.116 217 M CB -0.229 32.287 32.600 -0.139 0.000 1.348 217 M HN 0.137 nan 8.290 nan 0.000 0.407 218 F N 1.442 121.210 119.950 -0.303 0.000 2.095 218 F HA -0.288 4.239 4.527 0.000 0.000 0.298 218 F C 2.277 177.979 175.800 -0.163 0.000 1.104 218 F CA 1.910 59.675 58.000 -0.392 0.000 1.232 218 F CB -0.544 37.942 39.000 -0.856 0.000 0.987 218 F HN 0.179 nan 8.300 nan 0.000 0.475 219 Q N -1.048 118.615 119.800 -0.228 0.000 2.050 219 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 219 Q C 2.242 178.072 176.000 -0.285 0.000 0.980 219 Q CA 1.674 57.285 55.803 -0.320 0.000 0.840 219 Q CB -0.539 28.065 28.738 -0.223 0.000 0.898 219 Q HN 0.523 nan 8.270 nan 0.000 0.424 220 H N 0.377 119.388 119.070 -0.097 0.000 2.353 220 H HA -0.089 4.467 4.556 0.000 0.000 0.300 220 H C 2.151 177.404 175.328 -0.125 0.000 1.090 220 H CA 1.295 57.279 56.048 -0.106 0.000 1.327 220 H CB -0.078 29.693 29.762 0.015 0.000 1.383 220 H HN 0.259 nan 8.280 nan 0.000 0.508 221 I N -0.183 120.428 120.570 0.068 0.000 2.226 221 I HA -0.279 3.891 4.170 0.000 0.000 0.245 221 I C 2.673 178.718 176.117 -0.119 0.000 1.100 221 I CA 0.746 62.042 61.300 -0.007 0.000 1.374 221 I CB -0.269 37.737 38.000 0.010 0.000 1.057 221 I HN 0.213 nan 8.210 nan 0.000 0.413 222 C N 0.311 119.440 119.300 -0.285 0.000 2.425 222 C HA -0.132 4.328 4.460 0.000 0.000 0.277 222 C C 2.960 177.846 174.990 -0.173 0.000 1.280 222 C CA 0.637 59.479 59.018 -0.295 0.000 1.744 222 C CB -1.135 26.310 27.740 -0.492 0.000 1.989 222 C HN 0.444 nan 8.230 nan 0.000 0.491 223 R N 0.160 120.539 120.500 -0.202 0.000 2.075 223 R HA -0.127 4.213 4.340 0.000 0.000 0.232 223 R C 2.057 178.247 176.300 -0.183 0.000 1.126 223 R CA 1.811 57.776 56.100 -0.224 0.000 0.963 223 R CB -0.800 29.288 30.300 -0.352 0.000 0.858 223 R HN 0.766 nan 8.270 nan 0.000 0.435 224 H N 0.051 118.955 119.070 -0.276 0.000 2.293 224 H HA -0.054 4.502 4.556 0.000 0.000 0.300 224 H C 2.232 177.602 175.328 0.070 0.000 1.082 224 H CA 2.266 58.259 56.048 -0.092 0.000 1.308 224 H CB -0.086 29.654 29.762 -0.037 0.000 1.375 224 H HN 0.139 nan 8.280 nan 0.000 0.495 225 I N 0.043 120.750 120.570 0.229 0.000 2.208 225 I HA -0.259 3.911 4.170 0.000 0.000 0.245 225 I C 2.397 178.589 176.117 0.125 0.000 1.097 225 I CA 0.866 62.255 61.300 0.149 0.000 1.363 225 I CB -0.208 37.807 38.000 0.024 0.000 1.051 225 I HN 0.339 nan 8.210 nan 0.000 0.413 226 L N 0.308 121.579 121.223 0.079 0.000 2.005 226 L HA -0.261 4.080 4.340 0.000 0.000 0.207 226 L C 2.520 179.450 176.870 0.100 0.000 1.072 226 L CA 1.896 56.773 54.840 0.061 0.000 0.744 226 L CB -1.044 41.027 42.059 0.020 0.000 0.895 226 L HN 0.261 nan 8.230 nan 0.000 0.433 227 Y N 0.213 120.543 120.300 0.049 0.000 2.128 227 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 227 Y C 2.334 178.300 175.900 0.111 0.000 1.154 227 Y CA 2.165 60.327 58.100 0.103 0.000 1.149 227 Y CB -0.566 38.029 38.460 0.226 0.000 0.976 227 Y HN 0.252 nan 8.280 nan 0.000 0.505 228 A N -0.582 122.347 122.820 0.182 0.000 1.898 228 A HA -0.160 4.160 4.320 0.000 0.000 0.216 228 A C 2.219 179.828 177.584 0.042 0.000 1.181 228 A CA 2.204 54.311 52.037 0.117 0.000 0.620 228 A CB -1.355 17.820 19.000 0.292 0.000 0.819 228 A HN 0.519 nan 8.150 nan 0.000 0.442 229 T N -0.017 114.577 114.554 0.067 0.000 2.708 229 T HA -0.148 4.202 4.350 0.000 0.000 0.266 229 T C 1.135 175.835 174.700 0.000 0.000 1.037 229 T CA 1.391 63.525 62.100 0.058 0.000 1.146 229 T CB -0.462 68.444 68.868 0.062 0.000 0.865 229 T HN 0.639 nan 8.240 nan 0.000 0.435 230 N N 1.487 120.156 118.700 -0.051 0.000 2.707 230 N HA -0.258 4.482 4.740 0.000 0.000 0.253 230 N C -0.026 175.457 175.510 -0.046 0.000 0.998 230 N CA 0.993 53.992 53.050 -0.086 0.000 0.751 230 N CB -1.928 36.459 38.487 -0.166 0.000 0.920 230 N HN 0.497 nan 8.380 nan 0.000 0.539 231 N N -1.414 117.273 118.700 -0.022 0.000 2.735 231 N HA -0.207 4.533 4.740 0.000 0.000 0.248 231 N C 0.992 176.488 175.510 -0.023 0.000 1.083 231 N CA 2.479 55.518 53.050 -0.019 0.000 0.703 231 N CB -1.212 37.261 38.487 -0.023 0.000 1.005 231 N HN 1.238 nan 8.380 nan 0.000 0.550 232 G N -0.953 107.840 108.800 -0.011 0.000 2.279 232 G HA2 -0.331 3.629 3.960 0.000 0.000 0.223 232 G HA3 -0.331 3.629 3.960 0.000 0.000 0.223 232 G C 0.069 174.962 174.900 -0.012 0.000 1.015 232 G CA 0.167 45.263 45.100 -0.008 0.000 0.621 232 G HN 0.697 nan 8.290 nan 0.000 0.506 233 N N 2.204 120.883 118.700 -0.036 0.000 2.968 233 N HA 0.317 5.057 4.740 0.000 0.000 0.271 233 N C 0.840 176.325 175.510 -0.043 0.000 1.174 233 N CA -0.527 52.486 53.050 -0.062 0.000 1.096 233 N CB -0.463 37.981 38.487 -0.071 0.000 1.403 233 N HN 0.352 nan 8.380 nan 0.000 0.522 234 I N 1.917 122.492 120.570 0.008 0.000 2.826 234 I HA -0.098 4.072 4.170 0.000 0.000 0.295 234 I C 0.856 177.081 176.117 0.180 0.000 1.213 234 I CA 0.751 62.122 61.300 0.117 0.000 1.436 234 I CB -0.296 37.860 38.000 0.259 0.000 1.348 234 I HN 0.272 nan 8.210 nan 0.000 0.570 235 R N 3.910 124.490 120.500 0.133 0.000 2.599 235 R HA 0.415 4.755 4.340 0.000 0.000 0.295 235 R C -0.423 176.000 176.300 0.206 0.000 0.963 235 R CA -0.701 55.488 56.100 0.148 0.000 0.883 235 R CB 1.956 32.177 30.300 -0.133 0.000 1.171 235 R HN 0.540 nan 8.270 nan 0.000 0.450 236 S N 1.382 117.203 115.700 0.201 0.000 2.531 236 S HA 0.524 4.994 4.470 0.000 0.000 0.279 236 S C -0.374 174.254 174.600 0.046 0.000 1.305 236 S CA -0.336 57.895 58.200 0.051 0.000 1.058 236 S CB 1.299 64.453 63.200 -0.076 0.000 0.899 236 S HN 0.693 nan 8.310 nan 0.000 0.493 237 A N 2.926 125.734 122.820 -0.019 0.000 2.606 237 A HA 0.840 5.160 4.320 0.000 0.000 0.293 237 A C -1.309 176.221 177.584 -0.090 0.000 1.082 237 A CA -0.662 51.277 52.037 -0.164 0.000 0.685 237 A CB 1.214 20.054 19.000 -0.266 0.000 1.284 237 A HN 0.799 nan 8.150 nan 0.000 0.408 238 I N 0.442 120.938 120.570 -0.124 0.000 2.656 238 I HA 0.590 4.760 4.170 0.000 0.000 0.292 238 I C -1.156 175.005 176.117 0.073 0.000 1.144 238 I CA -0.151 61.216 61.300 0.112 0.000 1.038 238 I CB 2.402 40.423 38.000 0.035 0.000 1.244 238 I HN 0.598 nan 8.210 nan 0.000 0.420 239 T N 6.401 121.058 114.554 0.172 0.000 2.772 239 T HA 0.401 4.751 4.350 0.000 0.000 0.288 239 T C -0.576 173.937 174.700 -0.313 0.000 0.994 239 T CA -0.333 61.733 62.100 -0.056 0.000 0.951 239 T CB 1.358 70.187 68.868 -0.066 0.000 0.933 239 T HN 0.260 nan 8.240 nan 0.000 0.447 240 V N 5.384 125.067 119.914 -0.384 0.000 2.348 240 V HA 0.411 4.531 4.120 0.000 0.000 0.270 240 V C -0.152 175.667 176.094 -0.458 0.000 1.037 240 V CA -0.675 61.391 62.300 -0.389 0.000 0.872 240 V CB -0.276 31.280 31.823 -0.444 0.000 1.002 240 V HN 0.759 nan 8.190 nan 0.000 0.464 241 F N 5.342 125.226 119.950 -0.110 0.000 2.362 241 F HA 0.429 4.956 4.527 0.000 0.000 0.311 241 F C -1.720 174.013 175.800 -0.111 0.000 1.161 241 F CA -2.341 55.536 58.000 -0.205 0.000 1.085 241 F CB 0.575 39.462 39.000 -0.187 0.000 1.311 241 F HN 0.304 nan 8.300 nan 0.000 0.524 242 P HA -0.045 nan 4.420 nan 0.000 0.262 242 P C -1.134 176.228 177.300 0.104 0.000 1.182 242 P CA -0.006 63.049 63.100 -0.075 0.000 0.761 242 P CB 0.231 31.733 31.700 -0.331 0.000 0.795 243 Q N 3.317 123.124 119.800 0.012 0.000 2.474 243 Q HA 0.075 4.415 4.340 0.000 0.000 0.256 243 Q C 0.149 176.064 176.000 -0.142 0.000 1.048 243 Q CA -0.482 55.087 55.803 -0.389 0.000 0.922 243 Q CB 0.667 28.874 28.738 -0.885 0.000 1.288 243 Q HN 0.335 nan 8.270 nan 0.000 0.484 244 R N 1.096 121.499 120.500 -0.162 0.000 2.489 244 R HA 0.017 4.357 4.340 0.000 0.000 0.287 244 R C 0.240 176.515 176.300 -0.041 0.000 1.053 244 R CA 0.675 56.756 56.100 -0.032 0.000 1.036 244 R CB 0.566 30.843 30.300 -0.037 0.000 0.966 244 R HN 0.932 nan 8.270 nan 0.000 0.432 245 S N 2.789 118.508 115.700 0.030 0.000 2.460 245 S HA -0.067 4.403 4.470 0.000 0.000 0.185 245 S C 0.955 175.578 174.600 0.038 0.000 0.908 245 S CA 0.464 58.678 58.200 0.022 0.000 0.894 245 S CB -0.140 63.079 63.200 0.032 0.000 0.855 245 S HN 0.832 nan 8.310 nan 0.000 0.574 246 D N -0.176 120.277 120.400 0.089 0.000 2.389 246 D HA 0.305 4.945 4.640 0.000 0.000 0.206 246 D C 1.423 177.761 176.300 0.063 0.000 1.055 246 D CA 0.833 54.882 54.000 0.082 0.000 0.856 246 D CB -0.105 40.767 40.800 0.120 0.000 0.957 246 D HN 0.838 nan 8.370 nan 0.000 0.509 247 G N 0.750 109.593 108.800 0.070 0.000 2.195 247 G HA2 -0.291 3.670 3.960 0.000 0.000 0.224 247 G HA3 -0.291 3.670 3.960 0.000 0.000 0.224 247 G C 0.980 175.876 174.900 -0.007 0.000 0.990 247 G CA 0.271 45.387 45.100 0.026 0.000 0.639 247 G HN 0.425 nan 8.290 nan 0.000 0.514 248 K N 0.016 120.402 120.400 -0.024 0.000 2.358 248 K HA 0.236 4.556 4.320 0.000 0.000 0.197 248 K C 0.482 176.826 176.600 -0.427 0.000 1.025 248 K CA 0.075 56.233 56.287 -0.215 0.000 1.104 248 K CB 0.291 32.622 32.500 -0.282 0.000 0.855 248 K HN 0.547 nan 8.250 nan 0.000 0.531 249 H N 0.968 120.035 119.070 -0.005 0.000 2.587 249 H HA 0.189 4.745 4.556 0.000 0.000 0.245 249 H C -0.829 174.494 175.328 -0.007 0.000 1.238 249 H CA -0.573 55.463 56.048 -0.021 0.000 0.963 249 H CB 0.348 30.116 29.762 0.010 0.000 1.904 249 H HN 0.031 nan 8.280 nan 0.000 0.584 250 D N 0.827 121.262 120.400 0.058 0.000 2.389 250 D HA 0.060 4.700 4.640 0.000 0.000 0.247 250 D C 0.051 176.372 176.300 0.036 0.000 1.128 250 D CA 0.283 54.344 54.000 0.102 0.000 0.884 250 D CB 0.773 41.618 40.800 0.075 0.000 1.194 250 D HN 0.091 nan 8.370 nan 0.000 0.441 251 F N 2.606 122.591 119.950 0.060 0.000 2.411 251 F HA 0.335 4.862 4.527 0.000 0.000 0.355 251 F C 0.945 176.759 175.800 0.024 0.000 1.117 251 F CA -0.220 57.783 58.000 0.004 0.000 1.139 251 F CB 0.746 39.735 39.000 -0.018 0.000 1.120 251 F HN -0.144 nan 8.300 nan 0.000 0.493 252 R N 3.973 124.558 120.500 0.141 0.000 2.651 252 R HA 0.483 4.823 4.340 0.000 0.000 0.278 252 R C -1.748 174.690 176.300 0.230 0.000 1.010 252 R CA -1.138 55.072 56.100 0.183 0.000 0.896 252 R CB 2.212 32.631 30.300 0.198 0.000 1.211 252 R HN 0.482 nan 8.270 nan 0.000 0.456 253 L N 2.070 123.415 121.223 0.204 0.000 2.265 253 L HA 0.329 4.669 4.340 0.000 0.000 0.289 253 L C 0.679 177.761 176.870 0.353 0.000 1.033 253 L CA -0.146 54.827 54.840 0.222 0.000 0.814 253 L CB 0.727 42.850 42.059 0.106 0.000 1.203 253 L HN 0.581 nan 8.230 nan 0.000 0.423 254 W N 0.755 122.131 121.300 0.127 0.000 2.519 254 W HA -0.013 4.647 4.660 0.000 0.000 0.266 254 W C 0.720 177.399 176.519 0.267 0.000 1.253 254 W CA -0.348 57.168 57.345 0.285 0.000 1.274 254 W CB -0.938 28.762 29.460 0.399 0.000 1.114 254 W HN 0.483 nan 8.180 nan 0.000 0.596 255 N N -0.456 118.405 118.700 0.269 0.000 2.508 255 N HA 0.031 4.771 4.740 0.000 0.000 0.264 255 N C 1.083 176.484 175.510 -0.182 0.000 1.216 255 N CA 0.405 53.337 53.050 -0.196 0.000 0.943 255 N CB 0.818 39.238 38.487 -0.113 0.000 1.113 255 N HN -0.290 nan 8.380 nan 0.000 0.447 256 S N 0.254 115.773 115.700 -0.301 0.000 2.414 256 S HA -0.001 4.469 4.470 0.000 0.000 0.227 256 S C 0.129 174.634 174.600 -0.158 0.000 1.022 256 S CA 0.982 59.083 58.200 -0.166 0.000 0.958 256 S CB 0.052 63.170 63.200 -0.136 0.000 0.797 256 S HN 0.559 nan 8.310 nan 0.000 0.493 257 Q N -0.941 118.744 119.800 -0.192 0.000 2.451 257 Q HA 0.516 4.857 4.340 0.000 0.000 0.281 257 Q C 0.539 176.414 176.000 -0.209 0.000 1.099 257 Q CA -0.421 55.273 55.803 -0.181 0.000 0.806 257 Q CB 1.266 29.932 28.738 -0.120 0.000 1.419 257 Q HN -0.005 nan 8.270 nan 0.000 0.427 258 L N 0.205 121.299 121.223 -0.215 0.000 2.027 258 L HA 0.063 4.403 4.340 0.000 0.000 0.206 258 L C 0.310 177.029 176.870 -0.252 0.000 1.074 258 L CA 1.023 55.742 54.840 -0.203 0.000 0.745 258 L CB 0.083 42.016 42.059 -0.210 0.000 0.898 258 L HN 0.518 nan 8.230 nan 0.000 0.433 259 I N 0.041 120.383 120.570 -0.380 0.000 2.362 259 I HA 0.440 4.610 4.170 0.000 0.000 0.289 259 I C -0.347 175.151 176.117 -1.032 0.000 0.994 259 I CA -0.288 60.602 61.300 -0.683 0.000 1.158 259 I CB 1.400 38.902 38.000 -0.830 0.000 1.315 259 I HN 0.080 nan 8.210 nan 0.000 0.451 260 R N 4.596 124.607 120.500 -0.816 0.000 2.629 260 R HA 0.510 4.850 4.340 0.000 0.000 0.266 260 R C -1.902 174.174 176.300 -0.373 0.000 1.051 260 R CA -0.650 55.102 56.100 -0.580 0.000 0.895 260 R CB 1.271 31.419 30.300 -0.254 0.000 1.246 260 R HN 0.279 nan 8.270 nan 0.000 0.459 261 Y N 1.315 121.609 120.300 -0.010 0.000 2.320 261 Y HA 0.646 5.196 4.550 0.000 0.000 0.324 261 Y C 0.877 176.793 175.900 0.027 0.000 1.190 261 Y CA -0.380 57.757 58.100 0.062 0.000 1.215 261 Y CB 1.428 40.011 38.460 0.205 0.000 1.221 261 Y HN 0.748 nan 8.280 nan 0.000 0.486 262 A N 1.320 124.233 122.820 0.156 0.000 2.366 262 A HA 0.641 4.962 4.320 0.000 0.000 0.249 262 A C 0.457 177.879 177.584 -0.272 0.000 1.084 262 A CA 0.236 52.194 52.037 -0.131 0.000 0.794 262 A CB -0.178 18.681 19.000 -0.235 0.000 1.034 262 A HN 0.915 nan 8.150 nan 0.000 0.491 263 G N -0.412 108.122 108.800 -0.444 0.000 2.666 263 G HA2 0.585 4.545 3.960 0.000 0.000 0.303 263 G HA3 0.585 4.545 3.960 0.000 0.000 0.303 263 G C -1.336 173.310 174.900 -0.424 0.000 1.412 263 G CA -0.268 44.635 45.100 -0.328 0.000 0.979 263 G HN 0.536 nan 8.290 nan 0.000 0.507 264 Y N 0.276 120.603 120.300 0.045 0.000 2.462 264 Y HA 0.494 5.044 4.550 0.000 0.000 0.346 264 Y C 0.165 176.111 175.900 0.077 0.000 0.976 264 Y CA -1.134 57.011 58.100 0.075 0.000 1.044 264 Y CB 2.831 41.368 38.460 0.128 0.000 1.230 264 Y HN 0.456 nan 8.280 nan 0.000 0.455 265 Q N 3.299 123.250 119.800 0.251 0.000 2.456 265 Q HA 0.329 4.669 4.340 0.000 0.000 0.234 265 Q C -0.998 175.098 176.000 0.160 0.000 1.061 265 Q CA -0.424 55.472 55.803 0.154 0.000 0.896 265 Q CB 0.361 29.163 28.738 0.106 0.000 1.233 265 Q HN 0.500 nan 8.270 nan 0.000 0.506 266 M N 4.776 124.452 119.600 0.126 0.000 2.232 266 M HA 0.159 4.639 4.480 0.000 0.000 0.321 266 M C -1.442 174.869 176.300 0.018 0.000 1.101 266 M CA -2.230 53.108 55.300 0.063 0.000 1.181 266 M CB -0.436 32.185 32.600 0.035 0.000 1.432 266 M HN 0.389 nan 8.290 nan 0.000 0.457 267 P HA -0.163 nan 4.420 nan 0.000 0.216 267 P C 0.422 177.709 177.300 -0.022 0.000 1.150 267 P CA 1.328 64.407 63.100 -0.035 0.000 0.837 267 P CB -0.027 31.628 31.700 -0.074 0.000 0.786 268 D N -1.888 118.499 120.400 -0.022 0.000 2.352 268 D HA 0.062 4.702 4.640 0.000 0.000 0.232 268 D C 1.412 177.711 176.300 -0.002 0.000 1.055 268 D CA 0.672 54.663 54.000 -0.015 0.000 0.891 268 D CB -1.031 39.758 40.800 -0.018 0.000 0.897 268 D HN 0.242 nan 8.370 nan 0.000 0.529 269 G N -0.081 108.723 108.800 0.006 0.000 2.199 269 G HA2 -0.289 3.672 3.960 0.000 0.000 0.254 269 G HA3 -0.289 3.672 3.960 0.000 0.000 0.254 269 G C 0.550 175.462 174.900 0.020 0.000 0.982 269 G CA 0.585 45.693 45.100 0.014 0.000 0.632 269 G HN 0.824 nan 8.290 nan 0.000 0.529 270 T N -0.358 114.208 114.554 0.020 0.000 2.882 270 T HA 0.688 5.038 4.350 0.000 0.000 0.287 270 T C 0.393 175.117 174.700 0.039 0.000 1.014 270 T CA -0.671 61.443 62.100 0.023 0.000 1.049 270 T CB 1.788 70.666 68.868 0.016 0.000 1.001 270 T HN 0.369 nan 8.240 nan 0.000 0.525 271 I N 1.541 122.130 120.570 0.031 0.000 2.392 271 I HA 0.478 4.648 4.170 0.000 0.000 0.295 271 I C 0.479 176.615 176.117 0.031 0.000 0.985 271 I CA -0.678 60.644 61.300 0.036 0.000 1.221 271 I CB 1.353 39.356 38.000 0.006 0.000 1.366 271 I HN 0.789 nan 8.210 nan 0.000 0.467 272 R N 3.055 123.602 120.500 0.080 0.000 2.480 272 R HA 0.622 4.962 4.340 0.000 0.000 0.306 272 R C 0.175 176.508 176.300 0.055 0.000 0.958 272 R CA 0.161 56.312 56.100 0.085 0.000 0.861 272 R CB 1.635 32.041 30.300 0.175 0.000 1.171 272 R HN 0.940 nan 8.270 nan 0.000 0.445 273 G N 2.720 111.458 108.800 -0.104 0.000 2.484 273 G HA2 -0.257 3.703 3.960 0.000 0.000 0.225 273 G HA3 -0.257 3.703 3.960 0.000 0.000 0.225 273 G C -1.174 173.414 174.900 -0.520 0.000 1.250 273 G CA -0.092 44.881 45.100 -0.213 0.000 0.926 273 G HN 0.624 nan 8.290 nan 0.000 0.581 274 D N 1.790 122.016 120.400 -0.290 0.000 2.393 274 D HA 0.569 5.210 4.640 0.000 0.000 0.232 274 D C 1.541 177.766 176.300 -0.125 0.000 1.192 274 D CA 0.819 54.675 54.000 -0.239 0.000 0.882 274 D CB 0.725 41.671 40.800 0.244 0.000 1.038 274 D HN 0.958 nan 8.370 nan 0.000 0.499 275 A N 3.756 126.482 122.820 -0.157 0.000 2.076 275 A HA -0.112 4.208 4.320 0.000 0.000 0.220 275 A C 1.989 179.571 177.584 -0.003 0.000 1.160 275 A CA 1.691 53.691 52.037 -0.063 0.000 0.653 275 A CB -0.190 18.779 19.000 -0.052 0.000 0.801 275 A HN 0.601 nan 8.150 nan 0.000 0.455 276 A N -0.583 122.256 122.820 0.032 0.000 2.119 276 A HA 0.094 4.414 4.320 0.000 0.000 0.216 276 A C 1.942 179.564 177.584 0.063 0.000 1.152 276 A CA 1.731 53.806 52.037 0.063 0.000 0.708 276 A CB -0.710 18.349 19.000 0.099 0.000 0.805 276 A HN 0.771 nan 8.150 nan 0.000 0.460 277 T N -3.007 111.578 114.554 0.050 0.000 3.214 277 T HA 0.383 4.733 4.350 0.000 0.000 0.264 277 T C 1.322 176.035 174.700 0.022 0.000 1.012 277 T CA -0.083 62.050 62.100 0.054 0.000 0.901 277 T CB -0.427 68.477 68.868 0.061 0.000 1.070 277 T HN 0.222 nan 8.240 nan 0.000 0.561 278 L N 0.668 121.892 121.223 0.003 0.000 1.990 278 L HA -0.119 4.221 4.340 0.000 0.000 0.213 278 L C 2.938 179.801 176.870 -0.012 0.000 1.072 278 L CA 2.200 57.032 54.840 -0.014 0.000 0.755 278 L CB -0.448 41.615 42.059 0.007 0.000 0.889 278 L HN 0.449 nan 8.230 nan 0.000 0.432 279 E N -0.201 120.000 120.200 0.002 0.000 2.051 279 E HA -0.277 4.073 4.350 0.000 0.000 0.192 279 E C 2.177 178.714 176.600 -0.105 0.000 0.991 279 E CA 1.388 57.765 56.400 -0.039 0.000 0.799 279 E CB -0.150 29.540 29.700 -0.016 0.000 0.748 279 E HN 0.371 nan 8.360 nan 0.000 0.449 280 F N 1.208 121.026 119.950 -0.220 0.000 2.234 280 F HA -0.135 4.392 4.527 0.000 0.000 0.299 280 F C 2.246 177.923 175.800 -0.206 0.000 1.087 280 F CA 1.688 59.519 58.000 -0.283 0.000 1.340 280 F CB -0.314 38.552 39.000 -0.224 0.000 1.031 280 F HN -0.017 nan 8.300 nan 0.000 0.500 281 T N -0.341 114.157 114.554 -0.094 0.000 2.746 281 T HA -0.245 4.105 4.350 0.000 0.000 0.267 281 T C 1.755 176.390 174.700 -0.109 0.000 1.039 281 T CA 1.607 63.617 62.100 -0.149 0.000 1.142 281 T CB -0.320 68.454 68.868 -0.157 0.000 0.866 281 T HN 0.230 nan 8.240 nan 0.000 0.444 282 Q N 0.669 120.415 119.800 -0.091 0.000 2.170 282 Q HA -0.037 4.303 4.340 0.000 0.000 0.203 282 Q C 2.062 177.989 176.000 -0.121 0.000 0.976 282 Q CA 1.056 56.827 55.803 -0.054 0.000 0.858 282 Q CB -0.650 28.063 28.738 -0.042 0.000 0.907 282 Q HN 0.418 nan 8.270 nan 0.000 0.433 283 L N -0.501 120.569 121.223 -0.256 0.000 2.046 283 L HA -0.144 4.196 4.340 0.000 0.000 0.208 283 L C 2.062 178.758 176.870 -0.289 0.000 1.077 283 L CA 1.775 56.433 54.840 -0.305 0.000 0.747 283 L CB -1.022 40.748 42.059 -0.482 0.000 0.896 283 L HN 0.374 nan 8.230 nan 0.000 0.432 284 C N -0.317 118.743 119.300 -0.400 0.000 2.429 284 C HA -0.141 4.319 4.460 0.000 0.000 0.277 284 C C 2.735 177.760 174.990 0.057 0.000 1.262 284 C CA 0.907 59.765 59.018 -0.267 0.000 1.733 284 C CB -0.984 26.475 27.740 -0.469 0.000 2.010 284 C HN 0.586 nan 8.230 nan 0.000 0.483 285 I N 1.201 121.854 120.570 0.139 0.000 2.226 285 I HA -0.196 3.974 4.170 0.000 0.000 0.245 285 I C 1.956 178.083 176.117 0.018 0.000 1.100 285 I CA 1.548 62.929 61.300 0.135 0.000 1.374 285 I CB -0.594 37.469 38.000 0.104 0.000 1.057 285 I HN 0.306 nan 8.210 nan 0.000 0.413 286 D N 0.735 121.114 120.400 -0.035 0.000 2.264 286 D HA -0.065 4.575 4.640 0.000 0.000 0.208 286 D C 1.841 178.088 176.300 -0.090 0.000 0.966 286 D CA 1.058 55.014 54.000 -0.073 0.000 0.864 286 D CB -0.045 40.694 40.800 -0.101 0.000 0.933 286 D HN 0.337 nan 8.370 nan 0.000 0.499 287 L N -0.897 120.279 121.223 -0.078 0.000 2.653 287 L HA 0.272 4.612 4.340 0.000 0.000 0.231 287 L C 1.450 178.283 176.870 -0.061 0.000 1.153 287 L CA 0.184 54.971 54.840 -0.088 0.000 0.933 287 L CB 0.142 42.133 42.059 -0.113 0.000 1.175 287 L HN 0.115 nan 8.230 nan 0.000 0.473 288 G N -0.982 107.799 108.800 -0.031 0.000 2.213 288 G HA2 -0.311 3.649 3.960 0.000 0.000 0.226 288 G HA3 -0.311 3.649 3.960 0.000 0.000 0.226 288 G C -0.022 174.886 174.900 0.014 0.000 0.992 288 G CA -0.275 44.807 45.100 -0.030 0.000 0.632 288 G HN 0.328 nan 8.290 nan 0.000 0.511 289 W N 3.569 124.794 121.300 -0.124 0.000 2.193 289 W HA 0.580 5.240 4.660 0.000 0.000 0.338 289 W C 0.150 176.623 176.519 -0.077 0.000 1.310 289 W CA -0.246 57.036 57.345 -0.104 0.000 1.243 289 W CB 0.648 30.043 29.460 -0.110 0.000 1.165 289 W HN -0.069 nan 8.180 nan 0.000 0.566 290 K N 8.550 128.445 120.400 -0.842 0.000 2.267 290 K HA 0.233 4.553 4.320 0.000 0.000 0.282 290 K C -2.281 173.494 176.600 -1.374 0.000 1.078 290 K CA -1.930 53.867 56.287 -0.816 0.000 0.903 290 K CB 0.410 32.626 32.500 -0.474 0.000 1.111 290 K HN 0.331 nan 8.250 nan 0.000 0.475 291 P HA 0.203 nan 4.420 nan 0.000 0.271 291 P C -0.201 176.611 177.300 -0.813 0.000 1.216 291 P CA -0.179 62.286 63.100 -1.058 0.000 0.771 291 P CB 0.844 32.027 31.700 -0.862 0.000 0.864 292 R N 1.610 121.747 120.500 -0.604 0.000 2.397 292 R HA 0.140 4.480 4.340 0.000 0.000 0.241 292 R C 0.021 176.175 176.300 -0.242 0.000 0.914 292 R CA -0.257 55.677 56.100 -0.276 0.000 1.071 292 R CB -0.410 29.849 30.300 -0.067 0.000 1.116 292 R HN 0.418 nan 8.270 nan 0.000 0.524 293 Y N -0.477 119.363 120.300 -0.767 0.000 3.305 293 Y HA -0.291 4.259 4.550 0.000 0.000 0.214 293 Y C 0.868 176.604 175.900 -0.273 0.000 1.185 293 Y CA 0.548 58.096 58.100 -0.920 0.000 1.326 293 Y CB -1.962 36.151 38.460 -0.579 0.000 1.367 293 Y HN 0.227 nan 8.280 nan 0.000 0.588 294 G N -0.510 108.346 108.800 0.092 0.000 2.521 294 G HA2 0.527 4.487 3.960 0.000 0.000 0.323 294 G HA3 0.527 4.487 3.960 0.000 0.000 0.323 294 G C 0.577 175.589 174.900 0.187 0.000 1.211 294 G CA -0.843 44.353 45.100 0.160 0.000 0.979 294 G HN 0.290 nan 8.290 nan 0.000 0.490 295 R N -1.201 119.323 120.500 0.040 0.000 2.119 295 R HA 0.109 4.449 4.340 0.000 0.000 0.222 295 R C 0.031 175.970 176.300 -0.602 0.000 1.088 295 R CA 0.913 56.862 56.100 -0.252 0.000 0.984 295 R CB -0.033 30.058 30.300 -0.348 0.000 0.884 295 R HN 0.410 nan 8.270 nan 0.000 0.447 296 F N 0.671 120.605 119.950 -0.027 0.000 2.577 296 F HA 0.254 4.781 4.527 0.000 0.000 0.342 296 F C -0.916 174.819 175.800 -0.107 0.000 1.479 296 F CA -1.134 56.598 58.000 -0.447 0.000 1.110 296 F CB 0.676 39.213 39.000 -0.772 0.000 1.306 296 F HN -0.292 nan 8.300 nan 0.000 0.554 297 D N 1.534 122.107 120.400 0.289 0.000 2.295 297 D HA 0.203 4.843 4.640 0.000 0.000 0.248 297 D C 0.171 176.750 176.300 0.465 0.000 1.154 297 D CA 0.048 54.287 54.000 0.399 0.000 0.857 297 D CB 2.347 43.437 40.800 0.483 0.000 1.117 297 D HN -0.044 nan 8.370 nan 0.000 0.468 298 V N 3.875 124.033 119.914 0.407 0.000 2.479 298 V HA 0.011 4.131 4.120 0.000 0.000 0.281 298 V C 0.965 177.110 176.094 0.086 0.000 1.031 298 V CA -0.331 62.100 62.300 0.218 0.000 1.038 298 V CB 0.186 32.087 31.823 0.129 0.000 0.981 298 V HN 0.339 nan 8.190 nan 0.000 0.478 299 L N 8.602 129.777 121.223 -0.080 0.000 2.467 299 L HA 0.284 4.624 4.340 0.000 0.000 0.270 299 L C -1.688 175.011 176.870 -0.285 0.000 1.205 299 L CA -1.160 53.495 54.840 -0.308 0.000 0.828 299 L CB 0.492 42.439 42.059 -0.188 0.000 1.101 299 L HN 0.479 nan 8.230 nan 0.000 0.479 300 P HA 0.203 nan 4.420 nan 0.000 0.278 300 P C -1.044 176.206 177.300 -0.083 0.000 1.258 300 P CA -0.585 62.353 63.100 -0.269 0.000 0.811 300 P CB 0.966 32.382 31.700 -0.474 0.000 1.063 301 L N 1.050 122.307 121.223 0.057 0.000 2.319 301 L HA 0.234 4.574 4.340 0.000 0.000 0.280 301 L C 0.187 177.145 176.870 0.147 0.000 1.099 301 L CA -0.674 54.247 54.840 0.135 0.000 0.828 301 L CB 0.861 43.045 42.059 0.208 0.000 1.150 301 L HN 0.086 nan 8.230 nan 0.000 0.442 302 V N 6.053 126.062 119.914 0.157 0.000 2.294 302 V HA 0.338 4.458 4.120 0.000 0.000 0.272 302 V C 0.123 176.224 176.094 0.012 0.000 1.027 302 V CA -0.320 62.005 62.300 0.042 0.000 0.823 302 V CB 1.005 32.878 31.823 0.083 0.000 1.030 302 V HN 0.496 nan 8.190 nan 0.000 0.457 303 L N 4.707 125.932 121.223 0.003 0.000 2.307 303 L HA 0.635 4.975 4.340 0.000 0.000 0.284 303 L C -0.121 176.654 176.870 -0.157 0.000 1.023 303 L CA -0.392 54.432 54.840 -0.025 0.000 0.810 303 L CB 1.719 43.791 42.059 0.021 0.000 1.231 303 L HN 0.587 nan 8.230 nan 0.000 0.423 304 Q N 2.777 122.486 119.800 -0.152 0.000 2.333 304 Q HA 0.738 5.078 4.340 0.000 0.000 0.265 304 Q C -1.440 174.420 176.000 -0.234 0.000 0.989 304 Q CA -0.588 55.102 55.803 -0.188 0.000 0.842 304 Q CB 2.102 30.832 28.738 -0.012 0.000 1.262 304 Q HN 0.793 nan 8.270 nan 0.000 0.451 305 A N 3.654 126.267 122.820 -0.345 0.000 2.371 305 A HA 0.461 4.781 4.320 0.000 0.000 0.311 305 A C -0.302 176.833 177.584 -0.747 0.000 1.068 305 A CA -0.229 51.353 52.037 -0.759 0.000 0.744 305 A CB 1.222 19.985 19.000 -0.394 0.000 1.239 305 A HN 0.999 nan 8.150 nan 0.000 0.435 306 D N 1.054 120.709 120.400 -1.242 0.000 2.811 306 D HA -0.151 4.489 4.640 0.000 0.000 0.231 306 D C 1.211 177.409 176.300 -0.170 0.000 1.157 306 D CA 2.917 56.642 54.000 -0.457 0.000 0.716 306 D CB -1.063 39.637 40.800 -0.167 0.000 1.077 306 D HN 2.197 nan 8.370 nan 0.000 0.428 307 G N -1.359 107.312 108.800 -0.215 0.000 2.184 307 G HA2 -0.388 3.572 3.960 0.000 0.000 0.264 307 G HA3 -0.388 3.572 3.960 0.000 0.000 0.264 307 G C 0.341 175.207 174.900 -0.055 0.000 0.975 307 G CA 0.732 45.762 45.100 -0.117 0.000 0.642 307 G HN 0.613 nan 8.290 nan 0.000 0.536 308 Q N 0.432 120.183 119.800 -0.082 0.000 2.318 308 Q HA 0.427 4.767 4.340 0.000 0.000 0.222 308 Q C -0.155 175.825 176.000 -0.033 0.000 1.003 308 Q CA -0.733 55.050 55.803 -0.032 0.000 0.936 308 Q CB 0.494 29.202 28.738 -0.049 0.000 1.204 308 Q HN 0.299 nan 8.270 nan 0.000 0.524 309 D N 2.691 123.087 120.400 -0.007 0.000 2.506 309 D HA 0.007 4.647 4.640 0.000 0.000 0.234 309 D C -2.147 173.968 176.300 -0.309 0.000 1.143 309 D CA -0.652 53.264 54.000 -0.140 0.000 0.871 309 D CB 0.036 40.898 40.800 0.104 0.000 1.190 309 D HN 0.219 nan 8.370 nan 0.000 0.459 310 P HA 0.071 nan 4.420 nan 0.000 0.271 310 P C -0.634 176.444 177.300 -0.369 0.000 1.216 310 P CA -0.023 62.666 63.100 -0.684 0.000 0.771 310 P CB 0.886 31.683 31.700 -1.505 0.000 0.864 311 E N 1.100 121.161 120.200 -0.232 0.000 2.195 311 E HA 0.373 4.723 4.350 0.000 0.000 0.271 311 E C -0.591 175.832 176.600 -0.295 0.000 0.923 311 E CA -1.203 55.049 56.400 -0.247 0.000 0.790 311 E CB 1.908 31.494 29.700 -0.191 0.000 1.155 311 E HN 0.186 nan 8.360 nan 0.000 0.402 312 V N 3.459 123.100 119.914 -0.456 0.000 2.465 312 V HA 0.325 4.445 4.120 0.000 0.000 0.279 312 V C -0.648 175.066 176.094 -0.634 0.000 1.045 312 V CA -0.262 61.825 62.300 -0.355 0.000 0.938 312 V CB -0.027 31.663 31.823 -0.222 0.000 0.986 312 V HN 0.516 nan 8.190 nan 0.000 0.467 313 F N 1.947 121.754 119.950 -0.238 0.000 2.579 313 F HA 0.407 4.934 4.527 0.000 0.000 0.325 313 F C 0.487 176.153 175.800 -0.224 0.000 1.162 313 F CA -0.682 57.059 58.000 -0.431 0.000 0.946 313 F CB 1.407 39.856 39.000 -0.918 0.000 1.211 313 F HN 0.428 nan 8.300 nan 0.000 0.447 314 E N 3.750 123.967 120.200 0.029 0.000 2.384 314 E HA 0.232 4.582 4.350 0.000 0.000 0.266 314 E C -0.163 176.599 176.600 0.270 0.000 1.012 314 E CA -0.124 56.370 56.400 0.156 0.000 0.901 314 E CB 1.492 31.313 29.700 0.202 0.000 0.967 314 E HN 0.516 nan 8.360 nan 0.000 0.435 315 I N 4.798 125.518 120.570 0.249 0.000 2.416 315 I HA 0.080 4.250 4.170 0.000 0.000 0.288 315 I C -2.017 174.226 176.117 0.209 0.000 1.051 315 I CA -1.962 59.495 61.300 0.262 0.000 1.375 315 I CB 0.368 38.447 38.000 0.132 0.000 1.407 315 I HN 0.121 nan 8.210 nan 0.000 0.516 316 P HA 0.070 nan 4.420 nan 0.000 0.260 316 P C -1.998 175.364 177.300 0.104 0.000 1.207 316 P CA -0.830 62.359 63.100 0.149 0.000 0.780 316 P CB 0.160 31.931 31.700 0.118 0.000 0.789 317 P HA -0.231 nan 4.420 nan 0.000 0.217 317 P C 0.848 178.189 177.300 0.069 0.000 1.148 317 P CA 1.420 64.575 63.100 0.092 0.000 0.834 317 P CB -0.011 31.746 31.700 0.095 0.000 0.783 318 D N -1.147 119.288 120.400 0.059 0.000 2.264 318 D HA -0.061 4.579 4.640 0.000 0.000 0.208 318 D C 1.721 178.042 176.300 0.034 0.000 0.966 318 D CA 0.914 54.940 54.000 0.042 0.000 0.864 318 D CB -0.122 40.699 40.800 0.036 0.000 0.933 318 D HN 0.282 nan 8.370 nan 0.000 0.499 319 L N 0.493 121.737 121.223 0.035 0.000 2.509 319 L HA 0.045 4.385 4.340 0.000 0.000 0.222 319 L C 0.557 177.446 176.870 0.032 0.000 1.123 319 L CA 0.122 54.977 54.840 0.024 0.000 0.856 319 L CB 0.463 42.525 42.059 0.005 0.000 0.985 319 L HN -0.233 nan 8.230 nan 0.000 0.456 320 V N 2.207 122.147 119.914 0.043 0.000 2.320 320 V HA 0.147 4.267 4.120 0.000 0.000 0.265 320 V C 0.012 176.143 176.094 0.061 0.000 1.048 320 V CA -0.453 61.876 62.300 0.049 0.000 0.865 320 V CB 1.176 33.030 31.823 0.053 0.000 1.043 320 V HN 0.048 nan 8.190 nan 0.000 0.474 321 L N 5.761 127.022 121.223 0.063 0.000 2.305 321 L HA 0.527 4.867 4.340 0.000 0.000 0.281 321 L C 0.075 176.981 176.870 0.060 0.000 1.085 321 L CA 0.687 55.555 54.840 0.047 0.000 0.813 321 L CB 0.760 42.839 42.059 0.034 0.000 1.157 321 L HN 0.673 nan 8.230 nan 0.000 0.436 322 E N 3.153 123.365 120.200 0.020 0.000 2.336 322 E HA 0.596 4.946 4.350 0.000 0.000 0.267 322 E C -1.507 175.029 176.600 -0.107 0.000 0.906 322 E CA -1.029 55.376 56.400 0.008 0.000 0.781 322 E CB 2.524 32.260 29.700 0.060 0.000 1.261 322 E HN 0.381 nan 8.360 nan 0.000 0.436 323 V N 1.771 121.583 119.914 -0.171 0.000 2.409 323 V HA 0.264 4.384 4.120 0.000 0.000 0.291 323 V C -0.136 175.892 176.094 -0.109 0.000 1.020 323 V CA -0.786 61.352 62.300 -0.270 0.000 0.848 323 V CB 1.579 32.975 31.823 -0.711 0.000 0.990 323 V HN 0.833 nan 8.190 nan 0.000 0.430 324 T N 3.752 118.256 114.554 -0.082 0.000 2.832 324 T HA 0.491 4.841 4.350 0.000 0.000 0.296 324 T C -0.082 174.636 174.700 0.031 0.000 0.968 324 T CA -0.775 61.308 62.100 -0.028 0.000 1.107 324 T CB 0.711 69.566 68.868 -0.022 0.000 0.916 324 T HN 0.310 nan 8.240 nan 0.000 0.517 325 M N 3.362 123.028 119.600 0.110 0.000 2.184 325 M HA 0.371 4.851 4.480 0.000 0.000 0.351 325 M C 0.268 176.718 176.300 0.250 0.000 1.395 325 M CA 0.220 55.649 55.300 0.215 0.000 1.117 325 M CB -0.224 32.606 32.600 0.384 0.000 1.708 325 M HN 0.780 nan 8.290 nan 0.000 0.468 326 E N 1.009 121.297 120.200 0.147 0.000 2.367 326 E HA 0.380 4.730 4.350 0.000 0.000 0.273 326 E C -1.125 175.460 176.600 -0.024 0.000 0.903 326 E CA -0.764 55.723 56.400 0.145 0.000 0.764 326 E CB 2.682 32.471 29.700 0.148 0.000 1.252 326 E HN 0.517 nan 8.360 nan 0.000 0.446 327 H N 3.097 122.034 119.070 -0.223 0.000 2.457 327 H HA 0.219 4.775 4.556 0.000 0.000 0.335 327 H C -1.840 173.206 175.328 -0.470 0.000 1.115 327 H CA -2.363 53.415 56.048 -0.450 0.000 1.219 327 H CB 1.786 31.244 29.762 -0.507 0.000 1.471 327 H HN 0.338 nan 8.280 nan 0.000 0.491 328 P HA -0.124 nan 4.420 nan 0.000 0.221 328 P C 0.594 177.699 177.300 -0.326 0.000 1.145 328 P CA 1.142 63.736 63.100 -0.844 0.000 0.795 328 P CB 0.790 31.893 31.700 -0.995 0.000 0.775 329 K N -1.374 118.967 120.400 -0.097 0.000 2.412 329 K HA 0.123 4.443 4.320 0.000 0.000 0.201 329 K C 0.875 177.370 176.600 -0.175 0.000 1.275 329 K CA 0.258 56.445 56.287 -0.167 0.000 0.910 329 K CB -0.320 31.991 32.500 -0.316 0.000 1.346 329 K HN 0.254 nan 8.250 nan 0.000 0.490 330 Y N 3.170 123.326 120.300 -0.241 0.000 2.640 330 Y HA 0.047 4.597 4.550 0.000 0.000 0.355 330 Y C 1.291 176.865 175.900 -0.543 0.000 1.088 330 Y CA -0.377 57.300 58.100 -0.705 0.000 1.443 330 Y CB 0.188 37.743 38.460 -1.509 0.000 1.224 330 Y HN 0.104 nan 8.280 nan 0.000 0.516 331 E N 3.467 123.598 120.200 -0.114 0.000 2.204 331 E HA -0.207 4.143 4.350 0.000 0.000 0.195 331 E C 1.516 178.151 176.600 0.058 0.000 0.990 331 E CA 1.176 57.579 56.400 0.005 0.000 0.821 331 E CB -0.079 29.665 29.700 0.074 0.000 0.750 331 E HN 0.881 nan 8.360 nan 0.000 0.477 332 W N -0.164 121.229 121.300 0.155 0.000 2.699 332 W HA -0.038 4.622 4.660 0.000 0.000 0.249 332 W C 1.367 177.945 176.519 0.099 0.000 1.280 332 W CA -0.197 57.200 57.345 0.088 0.000 1.345 332 W CB -0.800 28.670 29.460 0.017 0.000 1.128 332 W HN -0.040 nan 8.180 nan 0.000 0.642 333 F N 3.204 122.978 119.950 -0.294 0.000 2.126 333 F HA -0.294 4.233 4.527 0.000 0.000 0.299 333 F C 3.068 178.897 175.800 0.048 0.000 1.096 333 F CA 2.743 60.641 58.000 -0.170 0.000 1.255 333 F CB -0.463 38.366 39.000 -0.284 0.000 0.997 333 F HN -0.132 nan 8.300 nan 0.000 0.479 334 Q N 1.173 121.124 119.800 0.252 0.000 2.181 334 Q HA -0.258 4.082 4.340 0.000 0.000 0.205 334 Q C 1.617 177.685 176.000 0.114 0.000 0.980 334 Q CA 2.050 57.963 55.803 0.183 0.000 0.862 334 Q CB -0.572 28.252 28.738 0.143 0.000 0.905 334 Q HN 0.591 nan 8.270 nan 0.000 0.429 335 E N 0.404 120.680 120.200 0.127 0.000 2.333 335 E HA -0.101 4.249 4.350 0.000 0.000 0.198 335 E C 2.008 178.638 176.600 0.050 0.000 1.007 335 E CA 0.582 57.042 56.400 0.099 0.000 0.845 335 E CB -0.094 29.686 29.700 0.134 0.000 0.766 335 E HN 0.407 nan 8.360 nan 0.000 0.507 336 L N -0.201 121.018 121.223 -0.006 0.000 2.376 336 L HA 0.012 4.352 4.340 0.000 0.000 0.219 336 L C 1.470 178.334 176.870 -0.010 0.000 1.133 336 L CA 0.467 55.260 54.840 -0.077 0.000 0.816 336 L CB -0.435 41.443 42.059 -0.302 0.000 0.933 336 L HN 0.240 nan 8.230 nan 0.000 0.449 337 G N 1.085 109.901 108.800 0.026 0.000 2.305 337 G HA2 -0.285 3.675 3.960 0.000 0.000 0.287 337 G HA3 -0.285 3.675 3.960 0.000 0.000 0.287 337 G C 0.054 174.989 174.900 0.058 0.000 1.036 337 G CA 0.072 45.210 45.100 0.064 0.000 0.887 337 G HN 0.254 nan 8.290 nan 0.000 0.505 338 L N -0.710 120.498 121.223 -0.025 0.000 2.360 338 L HA 0.818 5.158 4.340 0.000 0.000 0.271 338 L C 0.650 177.395 176.870 -0.208 0.000 1.057 338 L CA -0.553 54.203 54.840 -0.140 0.000 0.803 338 L CB 1.659 43.564 42.059 -0.257 0.000 1.207 338 L HN 0.527 nan 8.230 nan 0.000 0.445 339 K N 0.538 120.679 120.400 -0.432 0.000 2.615 339 K HA 0.488 4.808 4.320 0.000 0.000 0.291 339 K C -2.075 174.577 176.600 0.086 0.000 1.017 339 K CA -1.060 55.108 56.287 -0.197 0.000 0.882 339 K CB 2.141 34.435 32.500 -0.342 0.000 1.522 339 K HN 0.586 nan 8.250 nan 0.000 0.412 340 W N 1.547 122.845 121.300 -0.002 0.000 3.066 340 W HA 0.338 4.998 4.660 0.000 0.000 0.330 340 W C -1.344 175.241 176.519 0.110 0.000 1.253 340 W CA -0.791 56.624 57.345 0.116 0.000 1.187 340 W CB 1.595 30.991 29.460 -0.107 0.000 1.434 340 W HN 0.683 nan 8.180 nan 0.000 0.572 341 Y N 0.875 121.076 120.300 -0.165 0.000 2.304 341 Y HA 0.542 5.092 4.550 0.000 0.000 0.327 341 Y C 0.764 176.856 175.900 0.321 0.000 1.209 341 Y CA 0.036 58.128 58.100 -0.012 0.000 1.299 341 Y CB 0.268 38.594 38.460 -0.223 0.000 1.249 341 Y HN 0.336 nan 8.280 nan 0.000 0.519 342 A N 2.437 125.491 122.820 0.390 0.000 2.123 342 A HA 0.107 4.427 4.320 0.000 0.000 0.214 342 A C 0.429 178.358 177.584 0.575 0.000 1.152 342 A CA 0.160 52.489 52.037 0.487 0.000 0.728 342 A CB -0.220 18.911 19.000 0.218 0.000 0.814 342 A HN 0.650 nan 8.150 nan 0.000 0.464 343 L N 2.099 123.614 121.223 0.487 0.000 2.264 343 L HA 0.430 4.770 4.340 0.000 0.000 0.287 343 L C -2.634 174.413 176.870 0.295 0.000 1.039 343 L CA -2.362 52.676 54.840 0.330 0.000 0.829 343 L CB 1.361 43.537 42.059 0.195 0.000 1.211 343 L HN -0.053 nan 8.230 nan 0.000 0.427 344 P HA 0.430 nan 4.420 nan 0.000 0.291 344 P C -1.487 175.747 177.300 -0.110 0.000 1.378 344 P CA -0.317 62.659 63.100 -0.208 0.000 0.853 344 P CB 1.368 32.550 31.700 -0.862 0.000 1.002 345 A N 3.998 126.767 122.820 -0.086 0.000 2.408 345 A HA 0.506 4.826 4.320 0.000 0.000 0.295 345 A C -0.611 176.821 177.584 -0.253 0.000 1.040 345 A CA -0.659 51.277 52.037 -0.168 0.000 0.707 345 A CB 1.444 20.340 19.000 -0.174 0.000 1.235 345 A HN 0.268 nan 8.150 nan 0.000 0.418 346 V N 1.825 121.490 119.914 -0.415 0.000 2.583 346 V HA 0.487 4.607 4.120 0.000 0.000 0.287 346 V C 1.117 176.841 176.094 -0.617 0.000 1.051 346 V CA 0.848 62.855 62.300 -0.489 0.000 1.010 346 V CB 1.327 32.803 31.823 -0.578 0.000 0.988 346 V HN 1.252 nan 8.190 nan 0.000 0.478 347 A N 3.725 126.325 122.820 -0.366 0.000 2.456 347 A HA 0.184 4.504 4.320 0.000 0.000 0.237 347 A C 1.140 178.635 177.584 -0.147 0.000 1.217 347 A CA 0.206 52.082 52.037 -0.269 0.000 0.962 347 A CB 0.012 18.908 19.000 -0.174 0.000 1.079 347 A HN 0.810 nan 8.150 nan 0.000 0.536 348 N N -0.430 118.195 118.700 -0.125 0.000 2.234 348 N HA 0.248 4.988 4.740 0.000 0.000 0.227 348 N C -0.036 175.488 175.510 0.024 0.000 1.151 348 N CA -0.125 52.905 53.050 -0.034 0.000 0.865 348 N CB -0.286 38.178 38.487 -0.038 0.000 1.066 348 N HN 0.362 nan 8.380 nan 0.000 0.515 349 M N 0.430 120.039 119.600 0.016 0.000 2.368 349 M HA 0.370 4.850 4.480 0.000 0.000 0.311 349 M C -0.504 175.933 176.300 0.228 0.000 1.168 349 M CA -0.883 54.509 55.300 0.154 0.000 1.044 349 M CB 2.071 34.791 32.600 0.201 0.000 1.506 349 M HN 0.067 nan 8.290 nan 0.000 0.475 350 L N 2.523 123.926 121.223 0.300 0.000 2.322 350 L HA 0.533 4.873 4.340 0.000 0.000 0.281 350 L C -1.399 175.717 176.870 0.409 0.000 1.014 350 L CA -1.027 54.006 54.840 0.322 0.000 0.815 350 L CB 1.384 43.590 42.059 0.245 0.000 1.247 350 L HN 0.582 nan 8.230 nan 0.000 0.421 351 L N 5.065 126.535 121.223 0.412 0.000 2.281 351 L HA 0.428 4.768 4.340 0.000 0.000 0.285 351 L C -0.348 176.683 176.870 0.269 0.000 1.074 351 L CA 0.442 55.465 54.840 0.305 0.000 0.817 351 L CB 0.951 43.174 42.059 0.273 0.000 1.168 351 L HN 0.636 nan 8.230 nan 0.000 0.434 352 E N 5.052 125.357 120.200 0.176 0.000 2.151 352 E HA 0.532 4.882 4.350 0.000 0.000 0.275 352 E C -1.883 174.728 176.600 0.019 0.000 0.936 352 E CA -0.431 56.059 56.400 0.150 0.000 0.777 352 E CB 1.807 31.695 29.700 0.312 0.000 1.108 352 E HN 0.538 nan 8.360 nan 0.000 0.401 353 V N 3.127 123.017 119.914 -0.039 0.000 2.823 353 V HA 0.446 4.566 4.120 0.000 0.000 0.296 353 V C 0.137 176.097 176.094 -0.223 0.000 1.250 353 V CA 0.454 62.629 62.300 -0.208 0.000 0.939 353 V CB 1.278 32.881 31.823 -0.367 0.000 1.062 353 V HN 0.873 nan 8.190 nan 0.000 0.433 354 G N 4.426 113.140 108.800 -0.144 0.000 2.390 354 G HA2 0.101 4.061 3.960 0.000 0.000 0.299 354 G HA3 0.101 4.061 3.960 0.000 0.000 0.299 354 G C 1.656 176.698 174.900 0.237 0.000 1.002 354 G CA 1.464 46.648 45.100 0.140 0.000 0.979 354 G HN 2.781 nan 8.290 nan 0.000 0.513 355 G N -2.001 106.887 108.800 0.148 0.000 2.267 355 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 355 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 355 G C 0.602 175.543 174.900 0.069 0.000 0.998 355 G CA 0.708 45.923 45.100 0.193 0.000 0.620 355 G HN 1.299 nan 8.290 nan 0.000 0.529 356 L N 0.279 121.489 121.223 -0.021 0.000 2.439 356 L HA 0.724 5.064 4.340 0.000 0.000 0.259 356 L C 0.370 177.117 176.870 -0.204 0.000 1.129 356 L CA -0.567 54.159 54.840 -0.191 0.000 0.803 356 L CB 1.079 42.917 42.059 -0.368 0.000 1.161 356 L HN 0.200 nan 8.230 nan 0.000 0.462 357 E N 1.120 121.119 120.200 -0.335 0.000 2.263 357 E HA 0.393 4.743 4.350 0.000 0.000 0.268 357 E C -1.687 174.704 176.600 -0.348 0.000 0.884 357 E CA -0.400 55.882 56.400 -0.197 0.000 0.766 357 E CB 2.143 31.785 29.700 -0.096 0.000 1.196 357 E HN 0.248 nan 8.360 nan 0.000 0.416 358 F N 3.008 122.987 119.950 0.048 0.000 2.359 358 F HA 0.308 4.835 4.527 0.000 0.000 0.369 358 F C -1.814 174.062 175.800 0.127 0.000 1.084 358 F CA -2.082 55.965 58.000 0.080 0.000 1.096 358 F CB 1.467 40.508 39.000 0.068 0.000 1.335 358 F HN 0.343 nan 8.300 nan 0.000 0.457 359 P HA -0.054 nan 4.420 nan 0.000 0.230 359 P C -0.147 177.295 177.300 0.237 0.000 1.158 359 P CA 0.690 63.913 63.100 0.204 0.000 0.769 359 P CB 0.447 32.240 31.700 0.154 0.000 0.807 360 A N 0.079 123.090 122.820 0.319 0.000 2.410 360 A HA 0.553 4.873 4.320 0.000 0.000 0.289 360 A C -0.377 177.451 177.584 0.407 0.000 1.200 360 A CA -0.449 51.796 52.037 0.346 0.000 0.751 360 A CB 0.282 19.494 19.000 0.352 0.000 1.161 360 A HN 0.252 nan 8.150 nan 0.000 0.459 361 C N 1.068 120.527 119.300 0.264 0.000 3.319 361 C HA 0.499 4.959 4.460 0.000 0.000 0.258 361 C C -2.867 172.152 174.990 0.048 0.000 1.068 361 C CA -1.617 57.501 59.018 0.167 0.000 1.193 361 C CB -0.105 27.758 27.740 0.206 0.000 1.770 361 C HN 0.587 nan 8.230 nan 0.000 0.604 362 P HA 0.386 nan 4.420 nan 0.000 0.268 362 P C -0.672 176.516 177.300 -0.187 0.000 1.204 362 P CA 0.856 63.791 63.100 -0.275 0.000 0.768 362 P CB 0.615 32.180 31.700 -0.225 0.000 0.842 363 F N 0.425 120.276 119.950 -0.164 0.000 2.626 363 F HA 0.682 5.209 4.527 0.000 0.000 0.311 363 F C -0.669 175.028 175.800 -0.171 0.000 1.088 363 F CA -1.235 56.676 58.000 -0.148 0.000 0.949 363 F CB 1.636 40.404 39.000 -0.388 0.000 1.322 363 F HN 0.364 nan 8.300 nan 0.000 0.461 364 N N -0.237 118.552 118.700 0.148 0.000 2.610 364 N HA 0.731 5.471 4.740 0.000 0.000 0.264 364 N C -1.231 174.221 175.510 -0.096 0.000 1.348 364 N CA -0.417 52.654 53.050 0.034 0.000 0.819 364 N CB 1.993 40.550 38.487 0.117 0.000 1.521 364 N HN 1.058 nan 8.380 nan 0.000 0.497 365 G N -0.797 107.920 108.800 -0.138 0.000 3.253 365 G HA2 0.672 4.632 3.960 0.000 0.000 0.175 365 G HA3 0.672 4.632 3.960 0.000 0.000 0.175 365 G C -1.727 173.159 174.900 -0.024 0.000 1.098 365 G CA -0.620 44.330 45.100 -0.249 0.000 0.790 365 G HN 0.710 nan 8.290 nan 0.000 0.648 366 W N -1.736 119.561 121.300 -0.005 0.000 2.992 366 W HA 0.824 5.484 4.660 0.000 0.000 0.342 366 W C -1.491 175.006 176.519 -0.037 0.000 1.176 366 W CA -2.177 55.176 57.345 0.013 0.000 1.118 366 W CB 0.380 29.886 29.460 0.076 0.000 1.457 366 W HN 0.402 nan 8.180 nan 0.000 0.573 367 Y N 2.163 122.655 120.300 0.322 0.000 2.326 367 Y HA 0.334 4.884 4.550 0.000 0.000 0.333 367 Y C 0.622 176.562 175.900 0.068 0.000 1.240 367 Y CA -0.631 57.523 58.100 0.089 0.000 1.365 367 Y CB 1.206 39.599 38.460 -0.113 0.000 1.289 367 Y HN 0.435 nan 8.280 nan 0.000 0.548 368 M N 1.822 121.560 119.600 0.230 0.000 2.243 368 M HA 0.389 4.869 4.480 0.000 0.000 0.324 368 M C 0.995 177.269 176.300 -0.044 0.000 1.031 368 M CA -0.215 55.142 55.300 0.095 0.000 0.949 368 M CB 1.530 34.172 32.600 0.069 0.000 1.615 368 M HN 0.815 nan 8.290 nan 0.000 0.430 369 G N 1.580 110.305 108.800 -0.125 0.000 2.547 369 G HA2 -0.317 3.643 3.960 0.000 0.000 0.221 369 G HA3 -0.317 3.643 3.960 0.000 0.000 0.221 369 G C 1.129 175.860 174.900 -0.281 0.000 1.140 369 G CA 1.908 46.862 45.100 -0.243 0.000 0.760 369 G HN 0.882 nan 8.290 nan 0.000 0.583 370 T N -0.672 113.729 114.554 -0.254 0.000 2.881 370 T HA -0.064 4.287 4.350 0.000 0.000 0.270 370 T C 1.944 176.464 174.700 -0.300 0.000 1.068 370 T CA 1.647 63.553 62.100 -0.324 0.000 1.131 370 T CB -0.324 68.290 68.868 -0.423 0.000 0.871 370 T HN 0.557 nan 8.240 nan 0.000 0.479 371 E N 0.997 121.048 120.200 -0.248 0.000 2.085 371 E HA -0.065 4.285 4.350 0.000 0.000 0.194 371 E C 2.121 178.448 176.600 -0.455 0.000 0.994 371 E CA 1.448 57.713 56.400 -0.225 0.000 0.801 371 E CB -0.329 29.379 29.700 0.014 0.000 0.743 371 E HN 0.596 nan 8.360 nan 0.000 0.453 372 I N 0.349 120.495 120.570 -0.706 0.000 2.364 372 I HA -0.050 4.120 4.170 0.000 0.000 0.241 372 I C 2.628 178.134 176.117 -1.018 0.000 1.082 372 I CA 0.896 61.474 61.300 -1.204 0.000 1.401 372 I CB -0.540 36.633 38.000 -1.377 0.000 1.126 372 I HN 0.100 nan 8.210 nan 0.000 0.429 373 G N 0.503 108.952 108.800 -0.585 0.000 2.432 373 G HA2 -0.125 3.835 3.960 0.000 0.000 0.219 373 G HA3 -0.125 3.835 3.960 0.000 0.000 0.219 373 G C 1.551 176.377 174.900 -0.123 0.000 1.135 373 G CA 1.101 46.066 45.100 -0.225 0.000 0.767 373 G HN 0.250 nan 8.290 nan 0.000 0.550 374 V N -0.214 119.571 119.914 -0.215 0.000 2.627 374 V HA 0.119 4.239 4.120 0.000 0.000 0.239 374 V C 2.701 178.714 176.094 -0.135 0.000 1.077 374 V CA 0.641 62.853 62.300 -0.146 0.000 1.103 374 V CB -0.127 31.585 31.823 -0.185 0.000 0.802 374 V HN 0.089 nan 8.190 nan 0.000 0.482 375 R N 0.791 121.172 120.500 -0.199 0.000 2.052 375 R HA -0.014 4.326 4.340 0.000 0.000 0.226 375 R C 1.947 178.174 176.300 -0.122 0.000 1.145 375 R CA 1.494 57.504 56.100 -0.149 0.000 0.952 375 R CB -1.054 29.150 30.300 -0.161 0.000 0.847 375 R HN 0.467 nan 8.270 nan 0.000 0.431 376 D N 0.421 120.641 120.400 -0.299 0.000 2.097 376 D HA -0.118 4.522 4.640 0.000 0.000 0.195 376 D C 1.871 178.197 176.300 0.043 0.000 0.989 376 D CA 1.148 54.961 54.000 -0.311 0.000 0.827 376 D CB -0.176 39.909 40.800 -1.191 0.000 0.966 376 D HN 0.091 nan 8.370 nan 0.000 0.456 377 F N 0.272 120.134 119.950 -0.147 0.000 2.335 377 F HA 0.037 4.564 4.527 0.000 0.000 0.296 377 F C 2.342 178.185 175.800 0.072 0.000 1.091 377 F CA -0.240 57.766 58.000 0.009 0.000 1.399 377 F CB -0.670 38.319 39.000 -0.018 0.000 1.067 377 F HN 0.039 nan 8.300 nan 0.000 0.520 378 C N -1.246 118.171 119.300 0.196 0.000 3.065 378 C HA 0.201 4.662 4.460 0.000 0.000 0.285 378 C C 0.451 175.490 174.990 0.081 0.000 1.257 378 C CA -0.696 58.398 59.018 0.126 0.000 1.691 378 C CB -0.614 27.171 27.740 0.076 0.000 2.089 378 C HN 0.065 nan 8.230 nan 0.000 0.630 379 D N 1.825 122.267 120.400 0.070 0.000 2.443 379 D HA 0.085 4.725 4.640 0.000 0.000 0.239 379 D C 1.558 177.904 176.300 0.076 0.000 1.136 379 D CA 0.520 54.550 54.000 0.051 0.000 0.879 379 D CB 1.007 41.833 40.800 0.044 0.000 1.195 379 D HN 0.402 nan 8.370 nan 0.000 0.443 380 T N -0.621 113.966 114.554 0.055 0.000 2.867 380 T HA -0.220 4.130 4.350 0.000 0.000 0.268 380 T C 1.322 176.055 174.700 0.054 0.000 1.057 380 T CA 0.742 62.877 62.100 0.058 0.000 1.136 380 T CB -0.029 68.867 68.868 0.046 0.000 0.874 380 T HN 0.469 nan 8.240 nan 0.000 0.466 381 Q N 0.854 120.684 119.800 0.050 0.000 2.322 381 Q HA 0.169 4.509 4.340 0.000 0.000 0.203 381 Q C 0.821 176.851 176.000 0.050 0.000 0.923 381 Q CA -0.081 55.749 55.803 0.044 0.000 0.949 381 Q CB 0.118 28.881 28.738 0.042 0.000 1.039 381 Q HN 0.404 nan 8.270 nan 0.000 0.496 382 R N -0.445 120.101 120.500 0.076 0.000 2.721 382 R HA 0.251 4.591 4.340 0.000 0.000 0.104 382 R C 1.400 177.737 176.300 0.061 0.000 1.052 382 R CA -0.382 55.783 56.100 0.109 0.000 0.852 382 R CB -1.081 29.354 30.300 0.226 0.000 0.799 382 R HN 0.065 nan 8.270 nan 0.000 0.373 383 Y N 1.517 121.939 120.300 0.203 0.000 2.439 383 Y HA -0.048 4.502 4.550 0.000 0.000 0.292 383 Y C 0.595 176.574 175.900 0.131 0.000 1.130 383 Y CA 0.783 59.002 58.100 0.198 0.000 1.254 383 Y CB -0.285 38.374 38.460 0.332 0.000 1.000 383 Y HN 0.455 nan 8.280 nan 0.000 0.554 384 N N 0.833 119.677 118.700 0.240 0.000 2.669 384 N HA -0.227 4.513 4.740 0.000 0.000 0.266 384 N C 0.296 175.895 175.510 0.148 0.000 1.024 384 N CA 0.823 53.969 53.050 0.160 0.000 0.766 384 N CB -1.244 37.305 38.487 0.104 0.000 0.898 384 N HN 0.664 nan 8.380 nan 0.000 0.548 385 I N -2.961 117.707 120.570 0.163 0.000 3.883 385 I HA 0.125 4.295 4.170 0.000 0.000 0.326 385 I C 1.688 177.878 176.117 0.122 0.000 1.283 385 I CA -0.435 60.928 61.300 0.105 0.000 1.161 385 I CB -0.052 37.968 38.000 0.033 0.000 1.012 385 I HN 0.164 nan 8.210 nan 0.000 0.421 386 L N 2.014 123.332 121.223 0.159 0.000 1.971 386 L HA -0.259 4.081 4.340 0.000 0.000 0.215 386 L C 2.577 179.645 176.870 0.330 0.000 1.072 386 L CA 2.456 57.422 54.840 0.209 0.000 0.758 386 L CB -0.790 41.354 42.059 0.141 0.000 0.889 386 L HN 0.531 nan 8.230 nan 0.000 0.433 387 E N -0.874 119.508 120.200 0.304 0.000 2.058 387 E HA -0.309 4.041 4.350 0.000 0.000 0.194 387 E C 2.158 178.758 176.600 -0.001 0.000 0.997 387 E CA 1.536 58.051 56.400 0.193 0.000 0.801 387 E CB -0.226 29.529 29.700 0.091 0.000 0.746 387 E HN 0.653 nan 8.360 nan 0.000 0.450 388 E N -0.275 119.928 120.200 0.004 0.000 2.085 388 E HA -0.184 4.166 4.350 0.000 0.000 0.194 388 E C 2.042 178.585 176.600 -0.096 0.000 0.994 388 E CA 1.441 57.799 56.400 -0.070 0.000 0.801 388 E CB 0.137 29.806 29.700 -0.051 0.000 0.743 388 E HN 0.187 nan 8.360 nan 0.000 0.453 389 V N 0.326 120.249 119.914 0.015 0.000 2.515 389 V HA -0.146 3.974 4.120 0.000 0.000 0.250 389 V C 2.286 178.410 176.094 0.049 0.000 1.058 389 V CA 1.675 64.026 62.300 0.086 0.000 1.064 389 V CB -0.668 31.293 31.823 0.231 0.000 0.675 389 V HN 0.485 nan 8.190 nan 0.000 0.461 390 G N 0.199 109.054 108.800 0.091 0.000 2.433 390 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 390 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 390 G C 1.732 176.503 174.900 -0.215 0.000 1.186 390 G CA 0.679 45.799 45.100 0.033 0.000 0.779 390 G HN 0.432 nan 8.290 nan 0.000 0.543 391 R N 0.075 120.391 120.500 -0.307 0.000 2.083 391 R HA -0.003 4.337 4.340 0.000 0.000 0.237 391 R C 2.730 178.798 176.300 -0.386 0.000 1.137 391 R CA 1.111 57.009 56.100 -0.336 0.000 0.951 391 R CB -0.347 29.772 30.300 -0.302 0.000 0.851 391 R HN 0.248 nan 8.270 nan 0.000 0.434 392 R N 0.302 120.486 120.500 -0.527 0.000 2.193 392 R HA -0.058 4.282 4.340 0.000 0.000 0.229 392 R C 1.942 177.712 176.300 -0.883 0.000 1.110 392 R CA 1.136 56.663 56.100 -0.954 0.000 0.988 392 R CB -0.166 29.151 30.300 -1.638 0.000 0.871 392 R HN 0.303 nan 8.270 nan 0.000 0.458 393 M N -0.662 118.661 119.600 -0.462 0.000 2.556 393 M HA 0.123 4.603 4.480 0.000 0.000 0.245 393 M C 0.748 176.959 176.300 -0.149 0.000 1.128 393 M CA 0.524 55.687 55.300 -0.228 0.000 1.069 393 M CB 0.735 33.304 32.600 -0.052 0.000 1.469 393 M HN 0.365 nan 8.290 nan 0.000 0.494 394 G N 1.914 110.592 108.800 -0.204 0.000 2.176 394 G HA2 -0.230 3.730 3.960 0.000 0.000 0.252 394 G HA3 -0.230 3.730 3.960 0.000 0.000 0.252 394 G C -0.093 174.743 174.900 -0.106 0.000 1.024 394 G CA -0.161 44.849 45.100 -0.149 0.000 0.755 394 G HN 0.395 nan 8.290 nan 0.000 0.507 395 L N -0.711 120.439 121.223 -0.121 0.000 2.439 395 L HA 0.428 4.768 4.340 0.000 0.000 0.259 395 L C 0.967 177.717 176.870 -0.202 0.000 1.129 395 L CA -0.767 54.023 54.840 -0.083 0.000 0.803 395 L CB 0.597 42.675 42.059 0.031 0.000 1.161 395 L HN 0.173 nan 8.230 nan 0.000 0.462 396 E N 0.200 120.320 120.200 -0.134 0.000 1.972 396 E HA -0.010 4.340 4.350 0.000 0.000 0.292 396 E C 0.789 177.115 176.600 -0.456 0.000 1.193 396 E CA -0.054 56.242 56.400 -0.174 0.000 1.228 396 E CB -0.035 29.654 29.700 -0.019 0.000 1.167 396 E HN 0.642 nan 8.360 nan 0.000 0.479 397 T N -1.857 112.152 114.554 -0.908 0.000 3.155 397 T HA -0.143 4.207 4.350 0.000 0.000 0.264 397 T C 0.952 175.045 174.700 -1.011 0.000 1.160 397 T CA 0.702 61.743 62.100 -1.764 0.000 1.075 397 T CB -0.060 67.777 68.868 -1.718 0.000 0.921 397 T HN 0.407 nan 8.240 nan 0.000 0.533 398 H N 0.368 119.251 119.070 -0.311 0.000 2.542 398 H HA 0.305 4.861 4.556 0.000 0.000 0.283 398 H C -0.179 175.160 175.328 0.017 0.000 1.059 398 H CA -0.047 55.943 56.048 -0.097 0.000 1.162 398 H CB 0.638 30.343 29.762 -0.095 0.000 1.539 398 H HN 0.339 nan 8.280 nan 0.000 0.543 399 T N 1.783 116.425 114.554 0.148 0.000 3.038 399 T HA 0.203 4.553 4.350 0.000 0.000 0.344 399 T C 1.430 176.306 174.700 0.293 0.000 1.054 399 T CA -0.388 61.822 62.100 0.183 0.000 1.092 399 T CB 1.312 70.256 68.868 0.127 0.000 1.031 399 T HN 0.086 nan 8.240 nan 0.000 0.482 400 L N 1.641 123.018 121.223 0.257 0.000 2.043 400 L HA -0.175 4.165 4.340 0.000 0.000 0.212 400 L C 2.809 179.752 176.870 0.121 0.000 1.075 400 L CA 1.622 56.580 54.840 0.197 0.000 0.752 400 L CB -0.417 41.708 42.059 0.110 0.000 0.891 400 L HN 0.735 nan 8.230 nan 0.000 0.432 401 A N -0.292 122.593 122.820 0.108 0.000 2.125 401 A HA -0.184 4.136 4.320 0.000 0.000 0.219 401 A C 2.405 180.042 177.584 0.089 0.000 1.156 401 A CA 1.594 53.677 52.037 0.076 0.000 0.671 401 A CB -0.536 18.502 19.000 0.064 0.000 0.794 401 A HN 0.572 nan 8.150 nan 0.000 0.459 402 S N -0.599 115.188 115.700 0.145 0.000 2.481 402 S HA 0.062 4.532 4.470 0.000 0.000 0.231 402 S C 0.910 175.594 174.600 0.139 0.000 0.996 402 S CA 0.770 59.061 58.200 0.153 0.000 0.942 402 S CB -0.706 62.617 63.200 0.204 0.000 0.768 402 S HN 0.909 nan 8.310 nan 0.000 0.520 403 L N 0.187 121.466 121.223 0.094 0.000 4.089 403 L HA -0.169 4.171 4.340 0.000 0.000 0.408 403 L C 1.615 178.494 176.870 0.014 0.000 1.184 403 L CA 0.737 55.577 54.840 -0.001 0.000 0.947 403 L CB -2.723 39.344 42.059 0.014 0.000 2.066 403 L HN 0.754 nan 8.230 nan 0.000 0.851 404 W N 0.484 121.793 121.300 0.015 0.000 2.374 404 W HA -0.157 4.503 4.660 0.000 0.000 0.288 404 W C 1.680 178.212 176.519 0.022 0.000 1.218 404 W CA 1.405 58.758 57.345 0.013 0.000 1.245 404 W CB -0.723 28.731 29.460 -0.011 0.000 1.126 404 W HN 0.278 nan 8.180 nan 0.000 0.545 405 K N 0.989 120.827 120.400 -0.936 0.000 2.097 405 K HA -0.164 4.156 4.320 0.000 0.000 0.206 405 K C 1.494 177.912 176.600 -0.303 0.000 1.049 405 K CA 2.296 58.058 56.287 -0.875 0.000 0.933 405 K CB -0.343 31.567 32.500 -0.984 0.000 0.717 405 K HN 0.077 nan 8.250 nan 0.000 0.442 406 D N 0.260 120.541 120.400 -0.199 0.000 2.097 406 D HA -0.096 4.544 4.640 0.000 0.000 0.197 406 D C 1.947 178.252 176.300 0.009 0.000 0.984 406 D CA 1.052 55.007 54.000 -0.075 0.000 0.826 406 D CB 0.025 40.796 40.800 -0.047 0.000 0.973 406 D HN 0.097 nan 8.370 nan 0.000 0.460 407 R N 0.526 121.057 120.500 0.053 0.000 2.081 407 R HA -0.030 4.310 4.340 0.000 0.000 0.235 407 R C 2.275 178.674 176.300 0.164 0.000 1.131 407 R CA 1.248 57.421 56.100 0.121 0.000 0.960 407 R CB -0.326 30.067 30.300 0.156 0.000 0.856 407 R HN 0.150 nan 8.270 nan 0.000 0.436 408 A N 0.595 123.522 122.820 0.179 0.000 1.855 408 A HA -0.128 4.192 4.320 0.000 0.000 0.215 408 A C 2.285 179.988 177.584 0.199 0.000 1.191 408 A CA 1.417 53.593 52.037 0.232 0.000 0.613 408 A CB -0.890 18.286 19.000 0.294 0.000 0.829 408 A HN 0.200 nan 8.150 nan 0.000 0.442 409 V N -0.012 119.967 119.914 0.108 0.000 2.453 409 V HA -0.232 3.888 4.120 0.000 0.000 0.252 409 V C 2.544 178.698 176.094 0.100 0.000 1.068 409 V CA 2.938 65.290 62.300 0.086 0.000 1.070 409 V CB -0.828 30.996 31.823 0.002 0.000 0.664 409 V HN 0.655 nan 8.190 nan 0.000 0.461 410 T N -0.409 114.209 114.554 0.107 0.000 2.777 410 T HA -0.107 4.244 4.350 0.000 0.000 0.266 410 T C 1.786 176.577 174.700 0.152 0.000 1.040 410 T CA 1.383 63.551 62.100 0.114 0.000 1.141 410 T CB -0.218 68.716 68.868 0.110 0.000 0.868 410 T HN 0.503 nan 8.240 nan 0.000 0.444 411 E N 0.979 121.316 120.200 0.229 0.000 2.153 411 E HA 0.001 4.351 4.350 0.000 0.000 0.194 411 E C 2.181 178.946 176.600 0.275 0.000 0.988 411 E CA 0.640 57.237 56.400 0.328 0.000 0.811 411 E CB -0.359 29.628 29.700 0.478 0.000 0.746 411 E HN 0.532 nan 8.360 nan 0.000 0.466 412 I N 1.503 122.244 120.570 0.286 0.000 2.202 412 I HA -0.257 3.913 4.170 0.000 0.000 0.242 412 I C 2.061 178.257 176.117 0.131 0.000 1.091 412 I CA 0.802 62.282 61.300 0.299 0.000 1.368 412 I CB -0.301 37.921 38.000 0.371 0.000 1.058 412 I HN 0.031 nan 8.210 nan 0.000 0.410 413 N N 0.626 119.376 118.700 0.083 0.000 2.149 413 N HA -0.135 4.605 4.740 0.000 0.000 0.188 413 N C 1.928 177.432 175.510 -0.010 0.000 1.019 413 N CA 1.173 54.229 53.050 0.010 0.000 0.857 413 N CB -0.304 38.187 38.487 0.007 0.000 0.997 413 N HN 0.161 nan 8.380 nan 0.000 0.426 414 V N 1.523 121.427 119.914 -0.017 0.000 2.407 414 V HA -0.185 3.935 4.120 0.000 0.000 0.248 414 V C 2.406 178.374 176.094 -0.210 0.000 1.055 414 V CA 1.705 63.938 62.300 -0.112 0.000 1.049 414 V CB -0.851 30.875 31.823 -0.161 0.000 0.662 414 V HN 0.281 nan 8.190 nan 0.000 0.455 415 A N -0.184 122.474 122.820 -0.270 0.000 1.877 415 A HA -0.155 4.165 4.320 0.000 0.000 0.216 415 A C 2.403 179.926 177.584 -0.102 0.000 1.186 415 A CA 2.062 53.872 52.037 -0.379 0.000 0.620 415 A CB -0.696 17.756 19.000 -0.913 0.000 0.822 415 A HN 0.321 nan 8.150 nan 0.000 0.443 416 V N 0.225 120.127 119.914 -0.021 0.000 2.255 416 V HA -0.289 3.831 4.120 0.000 0.000 0.247 416 V C 2.606 178.735 176.094 0.058 0.000 1.051 416 V CA 2.123 64.455 62.300 0.053 0.000 1.018 416 V CB -0.838 30.940 31.823 -0.075 0.000 0.641 416 V HN 0.572 nan 8.190 nan 0.000 0.445 417 L N -0.652 120.562 121.223 -0.015 0.000 2.017 417 L HA -0.225 4.115 4.340 0.000 0.000 0.208 417 L C 2.645 179.544 176.870 0.047 0.000 1.073 417 L CA 2.162 57.000 54.840 -0.003 0.000 0.745 417 L CB -0.983 41.070 42.059 -0.011 0.000 0.894 417 L HN 0.511 nan 8.230 nan 0.000 0.432 418 H N -0.047 118.976 119.070 -0.079 0.000 2.319 418 H HA -0.164 4.392 4.556 0.000 0.000 0.299 418 H C 2.292 177.597 175.328 -0.039 0.000 1.092 418 H CA 1.980 57.968 56.048 -0.100 0.000 1.302 418 H CB 0.321 29.953 29.762 -0.217 0.000 1.373 418 H HN 0.259 nan 8.280 nan 0.000 0.497 419 S N 0.236 115.864 115.700 -0.121 0.000 2.356 419 S HA -0.124 4.346 4.470 0.000 0.000 0.223 419 S C 2.006 176.560 174.600 -0.077 0.000 1.032 419 S CA 1.276 59.394 58.200 -0.136 0.000 1.005 419 S CB -0.556 62.653 63.200 0.016 0.000 0.867 419 S HN 0.294 nan 8.310 nan 0.000 0.449 420 F N 2.028 121.909 119.950 -0.115 0.000 2.134 420 F HA -0.139 4.388 4.527 0.000 0.000 0.299 420 F C 2.685 178.421 175.800 -0.105 0.000 1.097 420 F CA 1.292 59.243 58.000 -0.081 0.000 1.264 420 F CB -0.599 38.370 39.000 -0.052 0.000 1.001 420 F HN 0.220 nan 8.300 nan 0.000 0.479 421 Q N -0.138 119.698 119.800 0.060 0.000 2.050 421 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 421 Q C 2.255 178.197 176.000 -0.097 0.000 0.980 421 Q CA 1.786 57.573 55.803 -0.026 0.000 0.840 421 Q CB -0.317 28.398 28.738 -0.038 0.000 0.898 421 Q HN 0.336 nan 8.270 nan 0.000 0.424 422 K N 0.885 121.167 120.400 -0.198 0.000 2.097 422 K HA -0.196 4.124 4.320 0.000 0.000 0.206 422 K C 1.428 177.941 176.600 -0.145 0.000 1.049 422 K CA 1.375 57.533 56.287 -0.214 0.000 0.933 422 K CB 0.124 32.399 32.500 -0.374 0.000 0.717 422 K HN 0.175 nan 8.250 nan 0.000 0.442 423 Q N 0.537 120.249 119.800 -0.148 0.000 2.322 423 Q HA 0.091 4.431 4.340 0.000 0.000 0.203 423 Q C -0.670 175.268 176.000 -0.105 0.000 0.923 423 Q CA -0.181 55.543 55.803 -0.131 0.000 0.949 423 Q CB 0.355 28.989 28.738 -0.173 0.000 1.039 423 Q HN 0.308 nan 8.270 nan 0.000 0.496 424 N N -0.193 118.459 118.700 -0.080 0.000 2.727 424 N HA -0.154 4.586 4.740 0.000 0.000 0.249 424 N C -1.301 174.183 175.510 -0.044 0.000 1.048 424 N CA 0.624 53.639 53.050 -0.057 0.000 0.714 424 N CB -1.394 37.059 38.487 -0.056 0.000 0.959 424 N HN 0.036 nan 8.380 nan 0.000 0.544 425 V N 0.802 120.706 119.914 -0.018 0.000 2.417 425 V HA 0.238 4.358 4.120 0.000 0.000 0.291 425 V C 0.845 177.045 176.094 0.177 0.000 1.024 425 V CA -0.675 61.652 62.300 0.046 0.000 0.861 425 V CB 2.000 33.781 31.823 -0.070 0.000 0.985 425 V HN 0.180 nan 8.190 nan 0.000 0.436 426 T N 6.559 121.157 114.554 0.073 0.000 2.905 426 T HA 0.361 4.711 4.350 0.000 0.000 0.299 426 T C -0.232 174.489 174.700 0.035 0.000 1.024 426 T CA 0.979 63.033 62.100 -0.076 0.000 1.151 426 T CB -0.015 68.670 68.868 -0.304 0.000 0.987 426 T HN 0.590 nan 8.240 nan 0.000 0.535 427 I N 2.862 123.373 120.570 -0.098 0.000 2.882 427 I HA 0.487 4.657 4.170 0.000 0.000 0.298 427 I C -1.612 174.473 176.117 -0.053 0.000 1.462 427 I CA -1.318 59.940 61.300 -0.070 0.000 1.000 427 I CB 1.773 39.624 38.000 -0.248 0.000 1.340 427 I HN 0.756 nan 8.210 nan 0.000 0.462 428 M N 3.500 123.135 119.600 0.058 0.000 2.395 428 M HA 0.581 5.061 4.480 0.000 0.000 0.307 428 M C -1.315 175.030 176.300 0.076 0.000 1.091 428 M CA -0.642 54.714 55.300 0.094 0.000 0.919 428 M CB 1.748 34.487 32.600 0.231 0.000 1.662 428 M HN 0.510 nan 8.290 nan 0.000 0.440 429 D N 0.593 121.035 120.400 0.071 0.000 2.344 429 D HA 0.110 4.750 4.640 0.000 0.000 0.244 429 D C 1.109 177.475 176.300 0.111 0.000 1.134 429 D CA -0.310 53.757 54.000 0.112 0.000 0.930 429 D CB 0.591 41.444 40.800 0.088 0.000 1.175 429 D HN 0.756 nan 8.370 nan 0.000 0.437 430 H N 0.256 119.274 119.070 -0.087 0.000 2.456 430 H HA -0.140 4.416 4.556 0.000 0.000 0.296 430 H C 1.064 176.288 175.328 -0.173 0.000 1.079 430 H CA 1.405 57.358 56.048 -0.158 0.000 1.322 430 H CB -0.712 28.899 29.762 -0.252 0.000 1.388 430 H HN 0.547 nan 8.280 nan 0.000 0.538 431 H N 0.868 119.740 119.070 -0.329 0.000 2.307 431 H HA -0.030 4.526 4.556 0.000 0.000 0.303 431 H C 1.967 177.262 175.328 -0.054 0.000 1.073 431 H CA 1.894 57.822 56.048 -0.200 0.000 1.338 431 H CB -0.300 29.316 29.762 -0.243 0.000 1.389 431 H HN 0.371 nan 8.280 nan 0.000 0.503 432 T N 1.313 115.920 114.554 0.089 0.000 2.720 432 T HA -0.117 4.233 4.350 0.000 0.000 0.268 432 T C 2.328 177.090 174.700 0.103 0.000 1.037 432 T CA 1.218 63.370 62.100 0.086 0.000 1.144 432 T CB -0.407 68.506 68.868 0.075 0.000 0.864 432 T HN 0.435 nan 8.240 nan 0.000 0.444 433 A N 1.010 123.892 122.820 0.104 0.000 1.877 433 A HA -0.098 4.222 4.320 0.000 0.000 0.216 433 A C 2.584 180.251 177.584 0.139 0.000 1.186 433 A CA 2.106 54.219 52.037 0.128 0.000 0.620 433 A CB -1.149 17.919 19.000 0.113 0.000 0.822 433 A HN 0.444 nan 8.150 nan 0.000 0.443 434 S N -0.407 115.355 115.700 0.103 0.000 2.359 434 S HA -0.216 4.254 4.470 0.000 0.000 0.224 434 S C 1.907 176.613 174.600 0.176 0.000 1.035 434 S CA 1.789 60.065 58.200 0.127 0.000 1.018 434 S CB -0.419 62.825 63.200 0.072 0.000 0.876 434 S HN 0.663 nan 8.310 nan 0.000 0.448 435 E N 0.400 120.682 120.200 0.136 0.000 2.153 435 E HA -0.098 4.252 4.350 0.000 0.000 0.194 435 E C 2.265 178.937 176.600 0.121 0.000 0.988 435 E CA 1.110 57.581 56.400 0.119 0.000 0.811 435 E CB -0.277 29.476 29.700 0.090 0.000 0.746 435 E HN 0.551 nan 8.360 nan 0.000 0.466 436 S N 0.569 116.352 115.700 0.139 0.000 2.356 436 S HA -0.185 4.285 4.470 0.000 0.000 0.223 436 S C 1.799 176.496 174.600 0.162 0.000 1.032 436 S CA 0.915 59.197 58.200 0.137 0.000 1.005 436 S CB -0.285 63.005 63.200 0.150 0.000 0.867 436 S HN 0.340 nan 8.310 nan 0.000 0.449 437 F N 1.797 121.798 119.950 0.084 0.000 2.186 437 F HA 0.034 4.561 4.527 0.000 0.000 0.299 437 F C 2.126 178.010 175.800 0.139 0.000 1.090 437 F CA 1.409 59.476 58.000 0.112 0.000 1.307 437 F CB -0.308 38.739 39.000 0.077 0.000 1.019 437 F HN 0.186 nan 8.300 nan 0.000 0.489 438 M N 0.255 119.908 119.600 0.087 0.000 2.149 438 M HA -0.193 4.287 4.480 0.000 0.000 0.261 438 M C 2.197 178.447 176.300 -0.084 0.000 1.064 438 M CA 1.568 56.867 55.300 -0.001 0.000 1.102 438 M CB -1.218 31.437 32.600 0.091 0.000 1.369 438 M HN 0.100 nan 8.290 nan 0.000 0.408 439 K N -0.339 120.044 120.400 -0.029 0.000 2.057 439 K HA -0.196 4.124 4.320 0.000 0.000 0.206 439 K C 1.985 178.549 176.600 -0.061 0.000 1.050 439 K CA 1.775 58.046 56.287 -0.026 0.000 0.935 439 K CB -0.603 31.908 32.500 0.018 0.000 0.715 439 K HN 0.403 nan 8.250 nan 0.000 0.439 440 H N -0.155 118.807 119.070 -0.182 0.000 2.321 440 H HA -0.066 4.490 4.556 0.000 0.000 0.300 440 H C 2.020 177.187 175.328 -0.268 0.000 1.087 440 H CA 2.497 58.420 56.048 -0.208 0.000 1.319 440 H CB -0.200 29.410 29.762 -0.253 0.000 1.379 440 H HN 0.273 nan 8.280 nan 0.000 0.501 441 M N -0.074 119.178 119.600 -0.580 0.000 2.108 441 M HA -0.242 4.238 4.480 0.000 0.000 0.261 441 M C 2.512 178.710 176.300 -0.170 0.000 1.066 441 M CA 2.190 57.222 55.300 -0.446 0.000 1.107 441 M CB -0.194 32.162 32.600 -0.406 0.000 1.356 441 M HN 0.564 nan 8.290 nan 0.000 0.406 442 Q N 0.128 119.830 119.800 -0.164 0.000 2.084 442 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 442 Q C 1.420 177.378 176.000 -0.069 0.000 0.978 442 Q CA 1.908 57.655 55.803 -0.093 0.000 0.844 442 Q CB -0.116 28.572 28.738 -0.084 0.000 0.898 442 Q HN 0.592 nan 8.270 nan 0.000 0.426 443 N N 0.518 119.145 118.700 -0.122 0.000 2.142 443 N HA -0.135 4.605 4.740 0.000 0.000 0.186 443 N C 1.600 177.034 175.510 -0.128 0.000 1.023 443 N CA 1.127 54.119 53.050 -0.098 0.000 0.852 443 N CB -0.228 38.217 38.487 -0.069 0.000 0.998 443 N HN 0.295 nan 8.380 nan 0.000 0.424 444 E N 0.251 120.296 120.200 -0.259 0.000 2.077 444 E HA -0.125 4.225 4.350 0.000 0.000 0.193 444 E C 1.849 178.346 176.600 -0.172 0.000 0.989 444 E CA 0.822 57.055 56.400 -0.279 0.000 0.800 444 E CB -0.437 28.995 29.700 -0.448 0.000 0.746 444 E HN 0.481 nan 8.360 nan 0.000 0.452 445 Y N 0.771 120.978 120.300 -0.155 0.000 2.293 445 Y HA -0.100 4.450 4.550 0.000 0.000 0.291 445 Y C 2.595 178.446 175.900 -0.082 0.000 1.137 445 Y CA 1.178 59.224 58.100 -0.090 0.000 1.202 445 Y CB -0.052 38.360 38.460 -0.079 0.000 0.990 445 Y HN -0.049 nan 8.280 nan 0.000 0.537 446 R N -0.365 120.162 120.500 0.046 0.000 2.073 446 R HA -0.093 4.247 4.340 0.000 0.000 0.229 446 R C 2.277 178.564 176.300 -0.022 0.000 1.120 446 R CA 1.075 57.176 56.100 0.002 0.000 0.967 446 R CB -0.283 30.010 30.300 -0.011 0.000 0.862 446 R HN 0.322 nan 8.270 nan 0.000 0.436 447 A N 1.341 124.136 122.820 -0.042 0.000 1.898 447 A HA -0.121 4.199 4.320 0.000 0.000 0.214 447 A C 1.586 179.131 177.584 -0.065 0.000 1.183 447 A CA 1.315 53.324 52.037 -0.046 0.000 0.622 447 A CB -0.009 18.964 19.000 -0.045 0.000 0.824 447 A HN 0.459 nan 8.150 nan 0.000 0.444 448 R N -2.675 117.763 120.500 -0.103 0.000 2.544 448 R HA 0.393 4.733 4.340 0.000 0.000 0.426 448 R C 0.677 176.899 176.300 -0.130 0.000 0.943 448 R CA 0.348 56.383 56.100 -0.108 0.000 1.162 448 R CB -0.721 29.505 30.300 -0.124 0.000 1.588 448 R HN 0.820 nan 8.270 nan 0.000 0.563 449 G N 0.029 108.747 108.800 -0.137 0.000 2.273 449 G HA2 -0.054 3.906 3.960 0.000 0.000 0.280 449 G HA3 -0.054 3.906 3.960 0.000 0.000 0.280 449 G C 0.253 174.911 174.900 -0.403 0.000 1.047 449 G CA 0.229 45.241 45.100 -0.147 0.000 0.869 449 G HN 0.992 nan 8.290 nan 0.000 0.502 450 G N -2.580 105.721 108.800 -0.832 0.000 2.328 450 G HA2 0.560 4.520 3.960 0.000 0.000 0.299 450 G HA3 0.560 4.520 3.960 0.000 0.000 0.299 450 G C -0.842 173.629 174.900 -0.715 0.000 1.435 450 G CA 0.273 44.688 45.100 -1.142 0.000 0.865 450 G HN 1.941 nan 8.290 nan 0.000 0.601 451 C N 2.332 121.399 119.300 -0.389 0.000 2.968 451 C HA 0.642 5.102 4.460 0.000 0.000 0.389 451 C C -2.575 172.361 174.990 -0.089 0.000 1.068 451 C CA -1.140 57.798 59.018 -0.132 0.000 1.272 451 C CB 1.021 28.742 27.740 -0.032 0.000 1.711 451 C HN 0.708 nan 8.230 nan 0.000 0.501 452 P HA 0.371 nan 4.420 nan 0.000 0.267 452 P C -0.563 176.639 177.300 -0.164 0.000 1.209 452 P CA 0.709 63.421 63.100 -0.647 0.000 0.763 452 P CB 0.975 32.231 31.700 -0.741 0.000 0.816 453 A N 2.696 125.475 122.820 -0.069 0.000 2.459 453 A HA 0.404 4.724 4.320 0.000 0.000 0.296 453 A C -1.081 176.542 177.584 0.066 0.000 1.039 453 A CA -0.553 51.526 52.037 0.070 0.000 0.698 453 A CB 1.279 20.437 19.000 0.263 0.000 1.261 453 A HN 0.433 nan 8.150 nan 0.000 0.405 454 D N 2.070 122.495 120.400 0.040 0.000 2.443 454 D HA 0.159 4.799 4.640 0.000 0.000 0.221 454 D C 0.812 177.227 176.300 0.190 0.000 1.097 454 D CA -0.507 53.557 54.000 0.106 0.000 0.865 454 D CB 0.360 41.177 40.800 0.029 0.000 1.034 454 D HN 0.596 nan 8.370 nan 0.000 0.511 455 W N 4.508 125.832 121.300 0.041 0.000 2.321 455 W HA -0.228 4.432 4.660 0.000 0.000 0.306 455 W C 1.725 178.273 176.519 0.048 0.000 1.217 455 W CA 1.270 58.629 57.345 0.024 0.000 1.257 455 W CB -0.084 29.374 29.460 -0.003 0.000 1.145 455 W HN 0.482 nan 8.180 nan 0.000 0.509 456 I N -1.079 119.792 120.570 0.501 0.000 2.335 456 I HA -0.307 3.863 4.170 0.000 0.000 0.251 456 I C 1.709 177.955 176.117 0.215 0.000 1.129 456 I CA 1.436 62.976 61.300 0.399 0.000 1.402 456 I CB -0.652 37.591 38.000 0.404 0.000 1.069 456 I HN 0.103 nan 8.210 nan 0.000 0.424 457 W N 0.053 121.342 121.300 -0.019 0.000 2.812 457 W HA 0.162 4.822 4.660 0.000 0.000 0.263 457 W C 2.164 178.579 176.519 -0.173 0.000 1.284 457 W CA 0.169 57.471 57.345 -0.072 0.000 1.430 457 W CB -0.228 29.208 29.460 -0.040 0.000 1.088 457 W HN -0.047 nan 8.180 nan 0.000 0.623 458 L N -0.284 120.905 121.223 -0.056 0.000 2.240 458 L HA 0.023 4.363 4.340 0.000 0.000 0.211 458 L C 0.553 177.227 176.870 -0.327 0.000 1.106 458 L CA 0.351 55.032 54.840 -0.264 0.000 0.793 458 L CB -0.745 41.061 42.059 -0.420 0.000 0.927 458 L HN -0.397 nan 8.230 nan 0.000 0.446 459 V N 1.357 121.006 119.914 -0.442 0.000 2.488 459 V HA 0.169 4.289 4.120 0.000 0.000 0.277 459 V C -1.827 174.104 176.094 -0.272 0.000 1.046 459 V CA -1.431 60.596 62.300 -0.455 0.000 0.986 459 V CB 0.633 31.971 31.823 -0.808 0.000 0.989 459 V HN 0.037 nan 8.190 nan 0.000 0.475 460 P HA 0.107 nan 4.420 nan 0.000 0.269 460 P C -1.873 175.320 177.300 -0.178 0.000 1.217 460 P CA -0.983 62.013 63.100 -0.175 0.000 0.783 460 P CB 0.024 31.650 31.700 -0.122 0.000 0.898 461 P HA -0.016 nan 4.420 nan 0.000 0.245 461 P C -0.199 177.011 177.300 -0.150 0.000 1.212 461 P CA 0.766 63.762 63.100 -0.173 0.000 0.774 461 P CB 0.190 31.774 31.700 -0.192 0.000 0.999 462 V N -5.079 114.731 119.914 -0.173 0.000 3.049 462 V HA 0.584 4.704 4.120 0.000 0.000 0.309 462 V C 0.362 176.421 176.094 -0.059 0.000 1.148 462 V CA -0.545 61.680 62.300 -0.124 0.000 0.990 462 V CB 1.301 33.029 31.823 -0.158 0.000 1.039 462 V HN 0.058 nan 8.190 nan 0.000 0.430 463 S N 0.359 116.053 115.700 -0.009 0.000 3.549 463 S HA -0.201 4.269 4.470 0.000 0.000 0.366 463 S C 1.437 176.017 174.600 -0.033 0.000 1.012 463 S CA 1.416 59.628 58.200 0.021 0.000 1.141 463 S CB -2.119 61.167 63.200 0.143 0.000 0.910 463 S HN 2.601 nan 8.310 nan 0.000 0.471 464 G N 2.576 111.329 108.800 -0.079 0.000 2.631 464 G HA2 -0.290 3.671 3.960 0.000 0.000 0.219 464 G HA3 -0.290 3.671 3.960 0.000 0.000 0.219 464 G C 1.584 176.313 174.900 -0.285 0.000 1.214 464 G CA 1.733 46.776 45.100 -0.095 0.000 0.785 464 G HN 1.792 nan 8.290 nan 0.000 0.596 465 S N 0.094 115.358 115.700 -0.726 0.000 2.555 465 S HA 0.085 4.555 4.470 0.000 0.000 0.230 465 S C 2.040 176.559 174.600 -0.136 0.000 0.978 465 S CA 0.521 58.153 58.200 -0.947 0.000 0.934 465 S CB -0.073 62.432 63.200 -1.159 0.000 0.766 465 S HN 0.175 nan 8.310 nan 0.000 0.533 466 I N 2.913 123.453 120.570 -0.050 0.000 2.928 466 I HA 0.036 4.206 4.170 0.000 0.000 0.266 466 I C 1.454 177.667 176.117 0.159 0.000 1.234 466 I CA 0.648 62.001 61.300 0.088 0.000 1.483 466 I CB -1.959 36.120 38.000 0.132 0.000 1.097 466 I HN 0.507 nan 8.210 nan 0.000 0.455 467 T N -0.780 113.848 114.554 0.124 0.000 2.909 467 T HA 0.317 4.667 4.350 0.000 0.000 0.286 467 T C -1.397 173.450 174.700 0.244 0.000 1.002 467 T CA -1.699 60.489 62.100 0.146 0.000 1.074 467 T CB 2.195 71.093 68.868 0.050 0.000 0.984 467 T HN -0.066 nan 8.240 nan 0.000 0.495 468 P HA -0.035 nan 4.420 nan 0.000 0.221 468 P C 1.694 179.189 177.300 0.326 0.000 1.150 468 P CA 0.393 63.685 63.100 0.321 0.000 0.800 468 P CB -0.105 31.721 31.700 0.210 0.000 0.787 469 V N -0.147 119.895 119.914 0.213 0.000 2.392 469 V HA -0.235 3.885 4.120 0.000 0.000 0.249 469 V C 2.402 178.550 176.094 0.090 0.000 1.059 469 V CA 1.738 64.123 62.300 0.142 0.000 1.051 469 V CB -1.541 30.289 31.823 0.012 0.000 0.658 469 V HN -0.025 nan 8.190 nan 0.000 0.455 470 F N 1.368 121.249 119.950 -0.115 0.000 2.120 470 F HA -0.242 4.285 4.527 0.000 0.000 0.300 470 F C 2.147 178.063 175.800 0.193 0.000 1.095 470 F CA 2.246 60.182 58.000 -0.106 0.000 1.249 470 F CB -0.317 38.503 39.000 -0.300 0.000 0.995 470 F HN 0.363 nan 8.300 nan 0.000 0.480 471 H N -1.593 117.820 119.070 0.572 0.000 2.533 471 H HA 0.157 4.713 4.556 0.000 0.000 0.271 471 H C 0.181 175.766 175.328 0.428 0.000 1.000 471 H CA 0.106 56.446 56.048 0.488 0.000 1.149 471 H CB -0.172 29.858 29.762 0.446 0.000 1.375 471 H HN 0.150 nan 8.280 nan 0.000 0.582 472 Q N 1.883 121.964 119.800 0.468 0.000 2.314 472 Q HA 0.158 4.498 4.340 0.000 0.000 0.259 472 Q C -0.729 175.498 176.000 0.379 0.000 0.951 472 Q CA -0.466 55.558 55.803 0.368 0.000 0.909 472 Q CB 0.669 29.585 28.738 0.297 0.000 1.236 472 Q HN 0.341 nan 8.270 nan 0.000 0.444 473 E N 3.641 124.013 120.200 0.288 0.000 2.373 473 E HA 0.273 4.623 4.350 0.000 0.000 0.267 473 E C -0.528 176.200 176.600 0.213 0.000 1.032 473 E CA 0.293 56.823 56.400 0.217 0.000 0.889 473 E CB 0.785 30.598 29.700 0.188 0.000 0.984 473 E HN 0.603 nan 8.360 nan 0.000 0.425 474 M N 2.252 121.983 119.600 0.218 0.000 2.550 474 M HA 0.358 4.838 4.480 0.000 0.000 0.292 474 M C -1.393 175.025 176.300 0.196 0.000 1.221 474 M CA -1.133 54.313 55.300 0.243 0.000 0.873 474 M CB 1.548 34.334 32.600 0.310 0.000 1.727 474 M HN 0.172 nan 8.290 nan 0.000 0.459 475 L N 2.357 123.716 121.223 0.227 0.000 2.313 475 L HA 0.474 4.814 4.340 0.000 0.000 0.283 475 L C -0.552 176.408 176.870 0.149 0.000 1.013 475 L CA -0.180 54.801 54.840 0.234 0.000 0.816 475 L CB 1.161 43.432 42.059 0.354 0.000 1.236 475 L HN 0.566 nan 8.230 nan 0.000 0.419 476 N N 3.742 122.519 118.700 0.128 0.000 2.469 476 N HA 0.472 5.212 4.740 0.000 0.000 0.253 476 N C -1.506 174.056 175.510 0.086 0.000 0.970 476 N CA -0.205 52.850 53.050 0.007 0.000 0.940 476 N CB 0.473 38.986 38.487 0.043 0.000 1.128 476 N HN 0.393 nan 8.380 nan 0.000 0.503 477 Y N -0.014 120.301 120.300 0.025 0.000 2.588 477 Y HA 0.638 5.188 4.550 0.000 0.000 0.343 477 Y C -1.001 174.855 175.900 -0.072 0.000 1.065 477 Y CA -1.368 56.721 58.100 -0.018 0.000 1.038 477 Y CB 0.686 39.150 38.460 0.006 0.000 1.297 477 Y HN -0.029 nan 8.280 nan 0.000 0.467 478 V N 4.241 124.139 119.914 -0.027 0.000 2.333 478 V HA 0.365 4.485 4.120 0.000 0.000 0.274 478 V C 0.117 176.083 176.094 -0.214 0.000 1.028 478 V CA -0.389 61.681 62.300 -0.383 0.000 0.851 478 V CB 0.405 31.824 31.823 -0.674 0.000 1.000 478 V HN 0.736 nan 8.190 nan 0.000 0.456 479 L N 2.991 124.143 121.223 -0.117 0.000 2.687 479 L HA 0.736 5.076 4.340 0.000 0.000 0.252 479 L C 0.314 177.162 176.870 -0.036 0.000 1.115 479 L CA -0.479 54.357 54.840 -0.007 0.000 0.893 479 L CB 1.505 43.612 42.059 0.080 0.000 1.670 479 L HN 0.601 nan 8.230 nan 0.000 0.531 480 S N -0.712 114.995 115.700 0.011 0.000 2.572 480 S HA 0.536 5.006 4.470 0.000 0.000 0.274 480 S C -2.684 171.938 174.600 0.037 0.000 1.150 480 S CA -1.088 57.124 58.200 0.022 0.000 0.944 480 S CB 1.746 64.945 63.200 -0.002 0.000 1.071 480 S HN 0.157 nan 8.310 nan 0.000 0.479 481 P HA 0.439 nan 4.420 nan 0.000 0.271 481 P C -1.274 175.978 177.300 -0.080 0.000 1.233 481 P CA -0.067 62.984 63.100 -0.082 0.000 0.789 481 P CB 0.225 31.811 31.700 -0.190 0.000 0.951 482 F N 0.303 120.039 119.950 -0.358 0.000 2.665 482 F HA 0.398 4.925 4.527 0.000 0.000 0.308 482 F C -1.642 173.847 175.800 -0.518 0.000 1.112 482 F CA -0.766 56.939 58.000 -0.492 0.000 0.972 482 F CB 1.138 39.812 39.000 -0.544 0.000 1.295 482 F HN 0.150 nan 8.300 nan 0.000 0.440 483 Y N 4.666 124.486 120.300 -0.799 0.000 2.404 483 Y HA 0.430 4.980 4.550 0.000 0.000 0.344 483 Y C -0.837 174.771 175.900 -0.486 0.000 0.970 483 Y CA -0.685 57.138 58.100 -0.462 0.000 1.180 483 Y CB 0.277 38.449 38.460 -0.479 0.000 1.138 483 Y HN 0.388 nan 8.280 nan 0.000 0.510 484 Y N 1.203 121.586 120.300 0.139 0.000 2.488 484 Y HA 0.397 4.947 4.550 0.000 0.000 0.325 484 Y C -0.258 175.691 175.900 0.082 0.000 1.204 484 Y CA -0.995 57.177 58.100 0.120 0.000 1.229 484 Y CB 0.827 39.392 38.460 0.175 0.000 1.274 484 Y HN 0.388 nan 8.280 nan 0.000 0.493 485 Y N 0.541 121.012 120.300 0.284 0.000 2.334 485 Y HA 0.375 4.925 4.550 0.000 0.000 0.325 485 Y C -0.028 175.935 175.900 0.105 0.000 1.308 485 Y CA -1.244 56.938 58.100 0.136 0.000 1.389 485 Y CB 0.646 39.160 38.460 0.090 0.000 1.328 485 Y HN 0.431 nan 8.280 nan 0.000 0.532 486 Q N 0.549 120.468 119.800 0.198 0.000 2.456 486 Q HA 0.445 4.785 4.340 0.000 0.000 0.283 486 Q C -1.262 174.700 176.000 -0.064 0.000 1.084 486 Q CA -1.167 54.666 55.803 0.050 0.000 0.801 486 Q CB 2.723 31.468 28.738 0.012 0.000 1.434 486 Q HN 0.363 nan 8.270 nan 0.000 0.419 487 I N 2.222 122.723 120.570 -0.114 0.000 2.588 487 I HA -0.015 4.155 4.170 0.000 0.000 0.283 487 I C 0.578 176.474 176.117 -0.368 0.000 1.119 487 I CA 0.186 61.366 61.300 -0.200 0.000 1.419 487 I CB 0.302 38.201 38.000 -0.169 0.000 1.394 487 I HN 0.527 nan 8.210 nan 0.000 0.562 488 E N 8.861 128.735 120.200 -0.543 0.000 2.585 488 E HA -0.068 4.282 4.350 0.000 0.000 0.252 488 E C -1.343 174.614 176.600 -1.073 0.000 0.981 488 E CA -1.091 54.678 56.400 -1.052 0.000 0.943 488 E CB 0.191 28.994 29.700 -1.495 0.000 0.923 488 E HN 0.382 nan 8.360 nan 0.000 0.486 489 P HA -0.200 nan 4.420 nan 0.000 0.217 489 P C 1.235 178.000 177.300 -0.892 0.000 1.151 489 P CA 1.633 64.166 63.100 -0.945 0.000 0.849 489 P CB -0.239 30.654 31.700 -1.346 0.000 0.787 490 W N 0.853 121.637 121.300 -0.860 0.000 2.611 490 W HA 0.126 4.786 4.660 0.000 0.000 0.251 490 W C 1.645 178.139 176.519 -0.043 0.000 1.265 490 W CA 0.475 57.594 57.345 -0.377 0.000 1.295 490 W CB -1.314 28.096 29.460 -0.083 0.000 1.129 490 W HN -0.090 nan 8.180 nan 0.000 0.630 491 K N 0.234 120.464 120.400 -0.282 0.000 2.314 491 K HA 0.044 4.364 4.320 0.000 0.000 0.198 491 K C 1.756 178.316 176.600 -0.066 0.000 1.045 491 K CA 1.528 57.747 56.287 -0.113 0.000 0.988 491 K CB -0.007 32.351 32.500 -0.238 0.000 0.783 491 K HN 0.305 nan 8.250 nan 0.000 0.484 492 T N -3.169 111.312 114.554 -0.122 0.000 3.003 492 T HA 0.044 4.394 4.350 0.000 0.000 0.261 492 T C 0.286 174.957 174.700 -0.048 0.000 1.003 492 T CA -0.366 61.686 62.100 -0.080 0.000 0.917 492 T CB -0.199 68.599 68.868 -0.117 0.000 1.084 492 T HN 0.061 nan 8.240 nan 0.000 0.522 493 H N 1.447 120.434 119.070 -0.139 0.000 2.848 493 H HA 0.436 4.992 4.556 0.000 0.000 0.341 493 H C -0.336 174.889 175.328 -0.172 0.000 1.060 493 H CA -0.539 55.401 56.048 -0.179 0.000 1.444 493 H CB 0.185 29.813 29.762 -0.223 0.000 1.446 493 H HN 0.295 nan 8.280 nan 0.000 0.583 494 I N 6.311 126.398 120.570 -0.805 0.000 2.306 494 I HA 0.051 4.221 4.170 0.000 0.000 0.288 494 I C -0.367 175.353 176.117 -0.662 0.000 1.036 494 I CA -0.495 60.514 61.300 -0.485 0.000 1.221 494 I CB 0.284 38.113 38.000 -0.284 0.000 1.385 494 I HN 0.543 nan 8.210 nan 0.000 0.472 495 W N 5.944 127.129 121.300 -0.192 0.000 2.210 495 W HA 0.130 4.790 4.660 0.000 0.000 0.330 495 W C 1.327 177.832 176.519 -0.023 0.000 1.334 495 W CA -0.129 57.214 57.345 -0.003 0.000 1.227 495 W CB 0.488 30.016 29.460 0.113 0.000 1.178 495 W HN 0.541 nan 8.180 nan 0.000 0.560 496 Q N 2.499 122.450 119.800 0.251 0.000 2.123 496 Q HA 0.016 4.356 4.340 0.000 0.000 0.193 496 Q C 1.400 177.490 176.000 0.150 0.000 0.981 496 Q CA 0.872 56.758 55.803 0.138 0.000 0.833 496 Q CB -0.561 28.231 28.738 0.089 0.000 0.914 496 Q HN 0.652 nan 8.270 nan 0.000 0.484 497 N N 0.000 118.806 118.700 0.177 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.118 53.050 0.113 0.000 0.885 497 N CB 0.000 38.541 38.487 0.090 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667