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 3e68_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATXXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.198 176.000 0.330 0.000 1.003 77 Q CA 0.000 55.862 55.803 0.098 0.000 1.022 77 Q CB 0.000 28.669 28.738 -0.114 0.000 1.108 78 Y N -1.445 119.010 120.300 0.258 0.000 2.554 78 Y HA 0.608 5.158 4.550 0.000 0.000 0.338 78 Y C -1.735 174.254 175.900 0.147 0.000 1.247 78 Y CA -1.382 56.887 58.100 0.283 0.000 1.255 78 Y CB 0.290 38.842 38.460 0.152 0.000 1.346 78 Y HN 0.084 nan 8.280 nan 0.000 0.481 79 V N 4.186 124.332 119.914 0.388 0.000 2.509 79 V HA 0.515 4.635 4.120 0.000 0.000 0.284 79 V C 0.209 176.490 176.094 0.311 0.000 1.047 79 V CA -0.676 61.716 62.300 0.154 0.000 0.952 79 V CB 1.371 33.161 31.823 -0.055 0.000 0.988 79 V HN 0.812 nan 8.190 nan 0.000 0.469 80 R N 4.295 124.922 120.500 0.212 0.000 2.221 80 R HA 0.593 4.933 4.340 0.000 0.000 0.327 80 R C -1.045 175.364 176.300 0.181 0.000 1.033 80 R CA -0.320 55.942 56.100 0.270 0.000 0.887 80 R CB 0.558 30.981 30.300 0.205 0.000 1.057 80 R HN 0.702 nan 8.270 nan 0.000 0.455 81 I N 3.990 124.670 120.570 0.182 0.000 2.474 81 I HA 0.339 4.509 4.170 0.000 0.000 0.294 81 I C -0.351 175.808 176.117 0.070 0.000 1.005 81 I CA -0.715 60.660 61.300 0.125 0.000 1.113 81 I CB 1.978 40.047 38.000 0.116 0.000 1.289 81 I HN 0.524 nan 8.210 nan 0.000 0.436 82 K N 5.276 125.695 120.400 0.032 0.000 2.318 82 K HA 0.347 4.667 4.320 0.000 0.000 0.249 82 K C -1.028 175.498 176.600 -0.123 0.000 0.942 82 K CA -0.723 55.487 56.287 -0.129 0.000 0.808 82 K CB 1.686 33.969 32.500 -0.362 0.000 1.189 82 K HN 0.513 nan 8.250 nan 0.000 0.428 83 N N 4.009 122.616 118.700 -0.155 0.000 2.501 83 N HA 0.090 4.830 4.740 0.000 0.000 0.245 83 N C -0.245 175.202 175.510 -0.104 0.000 0.974 83 N CA -0.356 52.675 53.050 -0.032 0.000 0.941 83 N CB 0.368 38.856 38.487 0.002 0.000 1.122 83 N HN 0.641 nan 8.380 nan 0.000 0.507 84 W N 2.487 123.813 121.300 0.044 0.000 2.747 84 W HA 0.126 4.786 4.660 0.000 0.000 0.244 84 W C 1.960 178.502 176.519 0.039 0.000 1.270 84 W CA 0.294 57.665 57.345 0.043 0.000 1.333 84 W CB 0.052 29.537 29.460 0.041 0.000 1.139 84 W HN 0.638 nan 8.180 nan 0.000 0.662 85 G N -0.720 108.182 108.800 0.170 0.000 2.490 85 G HA2 -0.128 3.832 3.960 0.000 0.000 0.211 85 G HA3 -0.128 3.832 3.960 0.000 0.000 0.211 85 G C 1.514 176.457 174.900 0.072 0.000 1.159 85 G CA 0.922 46.096 45.100 0.122 0.000 0.819 85 G HN 0.259 nan 8.290 nan 0.000 0.539 86 S N -1.019 114.703 115.700 0.037 0.000 2.517 86 S HA 0.379 4.849 4.470 0.000 0.000 0.214 86 S C 1.967 176.555 174.600 -0.020 0.000 0.991 86 S CA 1.046 59.254 58.200 0.013 0.000 0.906 86 S CB 0.340 63.546 63.200 0.009 0.000 0.789 86 S HN 1.479 nan 8.310 nan 0.000 0.513 87 G N 1.496 110.258 108.800 -0.063 0.000 2.267 87 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 87 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 87 G C -0.061 174.763 174.900 -0.127 0.000 0.998 87 G CA 0.359 45.386 45.100 -0.123 0.000 0.620 87 G HN 0.730 nan 8.290 nan 0.000 0.529 88 E N 0.628 120.779 120.200 -0.082 0.000 2.534 88 E HA 0.277 4.627 4.350 0.000 0.000 0.264 88 E C 0.229 176.777 176.600 -0.087 0.000 0.981 88 E CA 0.310 56.668 56.400 -0.070 0.000 0.948 88 E CB 0.077 29.750 29.700 -0.045 0.000 0.934 88 E HN 0.476 nan 8.360 nan 0.000 0.459 89 I N 4.567 125.091 120.570 -0.078 0.000 2.646 89 I HA 0.390 4.560 4.170 0.000 0.000 0.299 89 I C -0.373 175.695 176.117 -0.083 0.000 1.036 89 I CA -0.855 60.410 61.300 -0.057 0.000 1.074 89 I CB 1.419 39.406 38.000 -0.022 0.000 1.258 89 I HN 0.404 nan 8.210 nan 0.000 0.430 90 L N 3.941 125.156 121.223 -0.014 0.000 2.350 90 L HA 0.522 4.862 4.340 0.000 0.000 0.260 90 L C -1.037 175.921 176.870 0.147 0.000 1.015 90 L CA -0.731 54.087 54.840 -0.038 0.000 0.821 90 L CB 2.361 44.426 42.059 0.009 0.000 1.370 90 L HN 0.555 nan 8.230 nan 0.000 0.416 91 H N 0.506 119.533 119.070 -0.073 0.000 2.708 91 H HA 0.186 4.743 4.556 0.000 0.000 0.320 91 H C -1.251 174.072 175.328 -0.009 0.000 0.991 91 H CA -0.789 55.178 56.048 -0.135 0.000 1.243 91 H CB 2.097 31.453 29.762 -0.676 0.000 1.446 91 H HN 0.433 nan 8.280 nan 0.000 0.502 92 D N 2.631 123.198 120.400 0.277 0.000 2.295 92 D HA 0.018 4.658 4.640 0.000 0.000 0.248 92 D C 0.849 177.360 176.300 0.352 0.000 1.154 92 D CA 0.069 54.232 54.000 0.272 0.000 0.857 92 D CB 1.424 42.389 40.800 0.274 0.000 1.117 92 D HN 0.721 nan 8.370 nan 0.000 0.468 93 T N 0.911 115.572 114.554 0.179 0.000 2.954 93 T HA -0.049 4.301 4.350 0.000 0.000 0.252 93 T C 1.885 176.557 174.700 -0.047 0.000 0.983 93 T CA -0.249 61.916 62.100 0.109 0.000 0.941 93 T CB -0.044 68.914 68.868 0.150 0.000 1.141 93 T HN 0.249 nan 8.240 nan 0.000 0.500 94 L N 3.117 124.343 121.223 0.006 0.000 2.127 94 L HA -0.089 4.251 4.340 0.000 0.000 0.211 94 L C 2.336 179.184 176.870 -0.037 0.000 1.089 94 L CA 2.472 57.316 54.840 0.006 0.000 0.757 94 L CB -1.026 41.060 42.059 0.044 0.000 0.899 94 L HN 0.668 nan 8.230 nan 0.000 0.434 95 H N -2.978 116.090 119.070 -0.002 0.000 2.539 95 H HA -0.183 4.373 4.556 0.000 0.000 0.292 95 H C 1.756 177.029 175.328 -0.092 0.000 1.069 95 H CA 2.034 58.044 56.048 -0.063 0.000 1.244 95 H CB -1.058 28.637 29.762 -0.112 0.000 1.365 95 H HN 0.589 nan 8.280 nan 0.000 0.575 96 H N 0.244 119.065 119.070 -0.415 0.000 2.462 96 H HA 0.065 4.621 4.556 0.000 0.000 0.292 96 H C 1.442 176.739 175.328 -0.051 0.000 1.049 96 H CA 0.944 56.869 56.048 -0.205 0.000 1.334 96 H CB 0.341 29.957 29.762 -0.243 0.000 1.404 96 H HN 0.167 nan 8.280 nan 0.000 0.544 97 K N 0.834 121.271 120.400 0.061 0.000 2.525 97 K HA 0.172 4.492 4.320 0.000 0.000 0.192 97 K C 0.722 177.352 176.600 0.050 0.000 1.029 97 K CA 0.188 56.505 56.287 0.052 0.000 1.029 97 K CB -0.041 32.480 32.500 0.036 0.000 0.814 97 K HN 0.206 nan 8.250 nan 0.000 0.503 98 A N 1.268 124.124 122.820 0.060 0.000 2.448 98 A HA 0.150 4.470 4.320 0.000 0.000 0.239 98 A C 0.574 178.189 177.584 0.051 0.000 1.080 98 A CA 0.042 52.114 52.037 0.058 0.000 0.779 98 A CB 0.088 19.133 19.000 0.075 0.000 1.026 98 A HN 0.199 nan 8.150 nan 0.000 0.499 110 L N 5.179 126.403 121.223 0.001 0.000 2.939 110 L HA 0.276 4.616 4.340 0.000 0.000 0.239 110 L C 1.823 178.723 176.870 0.050 0.000 1.325 110 L CA 0.761 55.613 54.840 0.020 0.000 1.170 110 L CB -0.245 41.824 42.059 0.016 0.000 1.538 110 L HN 0.991 nan 8.230 nan 0.000 0.452 111 G N -0.649 108.181 108.800 0.051 0.000 2.448 111 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 111 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 111 G C 1.492 176.456 174.900 0.108 0.000 1.135 111 G CA 0.723 45.866 45.100 0.072 0.000 0.784 111 G HN 0.428 nan 8.290 nan 0.000 0.543 112 S N 0.101 115.866 115.700 0.108 0.000 2.671 112 S HA 0.263 4.733 4.470 0.000 0.000 0.220 112 S C 0.642 175.344 174.600 0.170 0.000 0.951 112 S CA -0.600 57.684 58.200 0.140 0.000 0.932 112 S CB -0.343 62.929 63.200 0.120 0.000 0.777 112 S HN 0.018 nan 8.310 nan 0.000 0.508 113 I N 2.501 123.166 120.570 0.159 0.000 2.428 113 I HA 0.209 4.379 4.170 0.000 0.000 0.289 113 I C 1.519 177.748 176.117 0.187 0.000 1.019 113 I CA -0.174 61.238 61.300 0.187 0.000 1.351 113 I CB 0.738 38.825 38.000 0.147 0.000 1.412 113 I HN 0.262 nan 8.210 nan 0.000 0.513 114 M N 3.889 123.616 119.600 0.210 0.000 2.073 114 M HA -0.068 4.412 4.480 0.000 0.000 0.259 114 M C 0.470 176.766 176.300 -0.007 0.000 1.079 114 M CA 1.620 56.953 55.300 0.055 0.000 1.131 114 M CB -0.300 32.129 32.600 -0.284 0.000 1.316 114 M HN 0.492 nan 8.290 nan 0.000 0.415 115 N N 1.294 120.020 118.700 0.043 0.000 3.114 115 N HA 0.285 5.025 4.740 0.000 0.000 0.289 115 N C -2.375 173.191 175.510 0.093 0.000 1.519 115 N CA -0.790 52.239 53.050 -0.035 0.000 1.026 115 N CB 0.591 39.018 38.487 -0.101 0.000 1.306 115 N HN 0.279 nan 8.380 nan 0.000 0.495 116 P HA 0.138 nan 4.420 nan 0.000 0.272 116 P C 0.543 177.916 177.300 0.122 0.000 1.240 116 P CA -0.247 62.919 63.100 0.111 0.000 0.791 116 P CB 1.878 33.639 31.700 0.102 0.000 0.978 117 K N 0.376 120.829 120.400 0.087 0.000 2.211 117 K HA -0.077 4.243 4.320 0.000 0.000 0.203 117 K C 2.121 178.781 176.600 0.100 0.000 1.050 117 K CA 1.649 57.985 56.287 0.082 0.000 0.945 117 K CB -0.328 32.198 32.500 0.043 0.000 0.732 117 K HN 0.539 nan 8.250 nan 0.000 0.451 118 S N 0.688 116.443 115.700 0.093 0.000 2.440 118 S HA -0.105 4.365 4.470 0.000 0.000 0.238 118 S C 1.506 176.207 174.600 0.168 0.000 1.010 118 S CA 0.875 59.130 58.200 0.092 0.000 0.972 118 S CB -0.058 63.175 63.200 0.056 0.000 0.774 118 S HN 0.083 nan 8.310 nan 0.000 0.501 119 L N 1.443 122.802 121.223 0.226 0.000 2.667 119 L HA 0.428 4.768 4.340 0.000 0.000 0.232 119 L C 0.219 177.378 176.870 0.481 0.000 1.138 119 L CA 0.436 55.479 54.840 0.339 0.000 0.921 119 L CB -0.233 42.005 42.059 0.299 0.000 1.180 119 L HN 0.244 nan 8.230 nan 0.000 0.487 120 T N -0.559 114.207 114.554 0.353 0.000 2.888 120 T HA 0.543 4.893 4.350 0.000 0.000 0.284 120 T C -0.229 174.526 174.700 0.092 0.000 1.017 120 T CA -0.501 61.764 62.100 0.275 0.000 1.022 120 T CB 2.386 71.359 68.868 0.175 0.000 1.013 120 T HN -0.136 nan 8.240 nan 0.000 0.465 121 R N 1.517 122.025 120.500 0.013 0.000 2.513 121 R HA 0.518 4.858 4.340 0.000 0.000 0.283 121 R C 0.373 176.632 176.300 -0.068 0.000 1.535 121 R CA -0.450 55.544 56.100 -0.176 0.000 1.315 121 R CB 0.045 30.090 30.300 -0.425 0.000 1.163 121 R HN 0.842 nan 8.270 nan 0.000 0.573 122 G N 2.815 111.584 108.800 -0.052 0.000 2.631 122 G HA2 0.265 4.225 3.960 0.000 0.000 0.271 122 G HA3 0.265 4.225 3.960 0.000 0.000 0.271 122 G C -1.930 172.946 174.900 -0.040 0.000 1.302 122 G CA -0.930 44.148 45.100 -0.038 0.000 1.002 122 G HN 0.450 nan 8.290 nan 0.000 0.519 123 P HA 0.208 nan 4.420 nan 0.000 0.271 123 P C -0.069 177.219 177.300 -0.019 0.000 1.233 123 P CA 0.146 63.230 63.100 -0.025 0.000 0.795 123 P CB 0.495 32.179 31.700 -0.027 0.000 0.936 124 R N 0.242 120.737 120.500 -0.007 0.000 2.867 124 R HA 0.321 4.661 4.340 0.000 0.000 0.268 124 R C -0.306 175.999 176.300 0.009 0.000 1.014 124 R CA -0.442 55.657 56.100 -0.002 0.000 0.946 124 R CB 1.463 31.762 30.300 -0.001 0.000 1.208 124 R HN 0.352 nan 8.270 nan 0.000 0.477 125 D N 0.013 120.419 120.400 0.011 0.000 2.520 125 D HA 0.122 4.762 4.640 0.000 0.000 0.223 125 D C -1.118 175.196 176.300 0.023 0.000 1.186 125 D CA 0.216 54.226 54.000 0.017 0.000 0.821 125 D CB 0.619 41.425 40.800 0.010 0.000 1.072 125 D HN 0.416 nan 8.370 nan 0.000 0.518 126 K N -0.903 119.509 120.400 0.020 0.000 2.610 126 K HA 0.414 4.734 4.320 0.000 0.000 0.278 126 K C -3.180 173.428 176.600 0.014 0.000 0.964 126 K CA -1.620 54.678 56.287 0.019 0.000 0.859 126 K CB 0.737 33.245 32.500 0.013 0.000 1.434 126 K HN -0.349 nan 8.250 nan 0.000 0.410 127 P HA -0.131 nan 4.420 nan 0.000 0.266 127 P C -0.302 177.003 177.300 0.009 0.000 1.180 127 P CA 0.381 63.486 63.100 0.009 0.000 0.765 127 P CB 0.361 32.066 31.700 0.009 0.000 0.806 128 T N 3.060 117.620 114.554 0.011 0.000 2.853 128 T HA 0.178 4.528 4.350 0.000 0.000 0.298 128 T C -2.017 172.691 174.700 0.013 0.000 0.978 128 T CA -1.591 60.517 62.100 0.014 0.000 1.152 128 T CB -0.458 68.426 68.868 0.027 0.000 0.914 128 T HN 0.225 nan 8.240 nan 0.000 0.539 129 P HA -0.077 nan 4.420 nan 0.000 0.261 129 P C 1.229 178.521 177.300 -0.014 0.000 1.173 129 P CA -0.484 62.611 63.100 -0.007 0.000 0.760 129 P CB 0.455 32.147 31.700 -0.014 0.000 0.783 130 L N 3.293 124.507 121.223 -0.015 0.000 2.081 130 L HA -0.197 4.143 4.340 0.000 0.000 0.212 130 L C 1.790 178.631 176.870 -0.047 0.000 1.080 130 L CA 2.224 57.049 54.840 -0.024 0.000 0.754 130 L CB -1.303 40.743 42.059 -0.021 0.000 0.893 130 L HN 0.287 nan 8.230 nan 0.000 0.433 131 E N 0.124 120.294 120.200 -0.050 0.000 2.204 131 E HA -0.224 4.126 4.350 0.000 0.000 0.195 131 E C 2.003 178.535 176.600 -0.113 0.000 0.990 131 E CA 1.496 57.855 56.400 -0.068 0.000 0.821 131 E CB 0.043 29.712 29.700 -0.053 0.000 0.750 131 E HN 0.814 nan 8.360 nan 0.000 0.477 132 E N -0.667 119.456 120.200 -0.128 0.000 2.290 132 E HA -0.008 4.342 4.350 0.000 0.000 0.197 132 E C 1.903 178.313 176.600 -0.318 0.000 0.948 132 E CA -0.099 56.144 56.400 -0.260 0.000 0.895 132 E CB -0.348 29.253 29.700 -0.164 0.000 0.865 132 E HN 0.096 nan 8.360 nan 0.000 0.486 133 L N 1.387 122.554 121.223 -0.093 0.000 2.017 133 L HA -0.062 4.278 4.340 0.000 0.000 0.208 133 L C 2.217 179.077 176.870 -0.015 0.000 1.073 133 L CA 1.464 56.316 54.840 0.020 0.000 0.745 133 L CB -0.738 41.348 42.059 0.045 0.000 0.894 133 L HN 0.356 nan 8.230 nan 0.000 0.432 134 L N 0.869 122.046 121.223 -0.076 0.000 2.046 134 L HA -0.036 4.304 4.340 0.000 0.000 0.208 134 L C -0.584 176.242 176.870 -0.073 0.000 1.077 134 L CA 1.796 56.580 54.840 -0.093 0.000 0.747 134 L CB -1.923 40.084 42.059 -0.087 0.000 0.896 134 L HN 0.120 nan 8.230 nan 0.000 0.432 135 P HA -0.103 nan 4.420 nan 0.000 0.219 135 P C 1.149 178.472 177.300 0.040 0.000 1.150 135 P CA 1.358 64.415 63.100 -0.071 0.000 0.814 135 P CB -0.118 31.494 31.700 -0.146 0.000 0.787 136 H N -0.225 118.874 119.070 0.047 0.000 2.299 136 H HA 0.044 4.600 4.556 0.000 0.000 0.302 136 H C 2.043 177.462 175.328 0.151 0.000 1.078 136 H CA 1.492 57.595 56.048 0.092 0.000 1.323 136 H CB -1.187 28.627 29.762 0.088 0.000 1.381 136 H HN 0.005 nan 8.280 nan 0.000 0.498 137 A N 1.338 124.311 122.820 0.256 0.000 1.892 137 A HA -0.179 4.141 4.320 0.000 0.000 0.218 137 A C 2.690 180.384 177.584 0.184 0.000 1.188 137 A CA 1.907 54.069 52.037 0.208 0.000 0.631 137 A CB -1.046 17.810 19.000 -0.239 0.000 0.822 137 A HN 0.352 nan 8.150 nan 0.000 0.447 138 I N -0.435 120.187 120.570 0.086 0.000 2.264 138 I HA -0.278 3.892 4.170 0.000 0.000 0.248 138 I C 2.542 178.737 176.117 0.131 0.000 1.111 138 I CA 1.892 63.239 61.300 0.078 0.000 1.382 138 I CB -0.408 37.611 38.000 0.032 0.000 1.060 138 I HN 0.545 nan 8.210 nan 0.000 0.418 139 E N 1.556 121.857 120.200 0.169 0.000 2.072 139 E HA -0.269 4.081 4.350 0.000 0.000 0.191 139 E C 2.070 178.806 176.600 0.228 0.000 0.985 139 E CA 1.449 57.956 56.400 0.178 0.000 0.801 139 E CB -0.532 29.282 29.700 0.191 0.000 0.750 139 E HN 0.393 nan 8.360 nan 0.000 0.452 140 F N 0.790 120.828 119.950 0.147 0.000 2.075 140 F HA -0.113 4.414 4.527 0.000 0.000 0.297 140 F C 1.829 177.720 175.800 0.152 0.000 1.113 140 F CA 1.454 59.555 58.000 0.168 0.000 1.218 140 F CB -0.762 38.359 39.000 0.203 0.000 0.984 140 F HN 0.086 nan 8.300 nan 0.000 0.472 141 I N 1.236 121.714 120.570 -0.154 0.000 2.208 141 I HA -0.345 3.825 4.170 0.000 0.000 0.245 141 I C 2.309 178.380 176.117 -0.077 0.000 1.097 141 I CA 1.379 62.566 61.300 -0.189 0.000 1.363 141 I CB -1.109 36.938 38.000 0.078 0.000 1.051 141 I HN 0.226 nan 8.210 nan 0.000 0.413 142 N N 0.129 118.852 118.700 0.039 0.000 2.120 142 N HA -0.254 4.486 4.740 0.000 0.000 0.188 142 N C 1.916 177.372 175.510 -0.091 0.000 1.024 142 N CA 1.399 54.491 53.050 0.071 0.000 0.852 142 N CB -0.272 38.299 38.487 0.141 0.000 1.003 142 N HN 0.565 nan 8.380 nan 0.000 0.424 143 Q N -0.140 119.617 119.800 -0.073 0.000 2.079 143 Q HA -0.186 4.155 4.340 0.000 0.000 0.200 143 Q C 2.087 177.893 176.000 -0.324 0.000 0.974 143 Q CA 1.169 56.934 55.803 -0.064 0.000 0.840 143 Q CB -0.239 28.590 28.738 0.151 0.000 0.898 143 Q HN 0.438 nan 8.270 nan 0.000 0.430 144 Y N -0.139 119.701 120.300 -0.767 0.000 2.070 144 Y HA -0.285 4.265 4.550 0.000 0.000 0.279 144 Y C 1.616 176.724 175.900 -1.321 0.000 1.134 144 Y CA 2.018 59.293 58.100 -1.375 0.000 1.113 144 Y CB -0.616 36.993 38.460 -1.419 0.000 0.981 144 Y HN 0.173 nan 8.280 nan 0.000 0.487 145 Y N 0.248 120.019 120.300 -0.882 0.000 2.403 145 Y HA -0.058 4.492 4.550 0.000 0.000 0.291 145 Y C 2.505 177.746 175.900 -1.099 0.000 1.143 145 Y CA 1.375 58.804 58.100 -1.119 0.000 1.257 145 Y CB -0.711 37.161 38.460 -0.979 0.000 0.984 145 Y HN 0.302 nan 8.280 nan 0.000 0.550 146 G N -1.724 106.695 108.800 -0.634 0.000 2.985 146 G HA2 -0.083 3.877 3.960 0.000 0.000 0.209 146 G HA3 -0.083 3.877 3.960 0.000 0.000 0.209 146 G C 1.631 176.283 174.900 -0.413 0.000 1.165 146 G CA 0.695 45.574 45.100 -0.369 0.000 0.776 146 G HN 0.448 nan 8.290 nan 0.000 0.541 147 S N 0.834 116.104 115.700 -0.717 0.000 2.377 147 S HA 0.138 4.608 4.470 0.000 0.000 0.223 147 S C 0.897 175.304 174.600 -0.323 0.000 1.030 147 S CA -0.168 57.756 58.200 -0.459 0.000 0.970 147 S CB -0.461 62.460 63.200 -0.464 0.000 0.830 147 S HN 0.252 nan 8.310 nan 0.000 0.473 148 F N 2.450 122.255 119.950 -0.241 0.000 2.456 148 F HA 0.575 5.102 4.527 0.000 0.000 0.358 148 F C 0.347 176.095 175.800 -0.087 0.000 1.095 148 F CA -2.089 55.817 58.000 -0.157 0.000 1.216 148 F CB 0.224 39.104 39.000 -0.201 0.000 1.125 148 F HN 0.004 nan 8.300 nan 0.000 0.549 149 K N 2.643 123.142 120.400 0.166 0.000 2.448 149 K HA 0.026 4.346 4.320 0.000 0.000 0.278 149 K C -0.262 176.405 176.600 0.113 0.000 1.009 149 K CA 0.115 56.463 56.287 0.102 0.000 0.995 149 K CB 0.076 32.611 32.500 0.059 0.000 0.917 149 K HN 0.887 nan 8.250 nan 0.000 0.481 150 E N 0.158 120.414 120.200 0.094 0.000 2.807 150 E HA -0.209 4.141 4.350 0.000 0.000 0.169 150 E C -0.902 175.770 176.600 0.120 0.000 1.548 150 E CA 0.260 56.704 56.400 0.073 0.000 0.697 150 E CB -1.246 28.468 29.700 0.025 0.000 1.106 150 E HN 0.722 nan 8.360 nan 0.000 0.382 151 A N 2.564 125.502 122.820 0.197 0.000 2.346 151 A HA 0.306 4.626 4.320 0.000 0.000 0.252 151 A C 0.437 178.147 177.584 0.209 0.000 1.089 151 A CA -0.048 52.195 52.037 0.343 0.000 0.797 151 A CB 0.523 19.713 19.000 0.317 0.000 1.047 151 A HN 0.335 nan 8.150 nan 0.000 0.494 152 K N 1.913 122.490 120.400 0.295 0.000 2.457 152 K HA 0.301 4.621 4.320 0.000 0.000 0.226 152 K C 0.435 177.140 176.600 0.175 0.000 1.114 152 K CA -0.112 56.273 56.287 0.164 0.000 1.089 152 K CB 0.242 32.817 32.500 0.126 0.000 1.739 152 K HN 0.651 nan 8.250 nan 0.000 0.473 153 I N 0.750 121.402 120.570 0.137 0.000 2.113 153 I HA -0.405 3.765 4.170 0.000 0.000 0.242 153 I C 2.497 178.614 176.117 0.000 0.000 1.064 153 I CA 1.644 62.998 61.300 0.089 0.000 1.320 153 I CB -0.161 37.864 38.000 0.042 0.000 1.028 153 I HN 0.619 nan 8.210 nan 0.000 0.406 154 E N 1.074 121.271 120.200 -0.006 0.000 2.038 154 E HA -0.319 4.031 4.350 0.000 0.000 0.195 154 E C 2.161 178.728 176.600 -0.056 0.000 1.000 154 E CA 1.832 58.212 56.400 -0.034 0.000 0.803 154 E CB -0.125 29.566 29.700 -0.016 0.000 0.750 154 E HN 0.478 nan 8.360 nan 0.000 0.448 155 E N -0.563 119.620 120.200 -0.030 0.000 2.209 155 E HA -0.269 4.081 4.350 0.000 0.000 0.196 155 E C 1.973 178.392 176.600 -0.301 0.000 0.993 155 E CA 1.227 57.602 56.400 -0.042 0.000 0.819 155 E CB -0.192 29.572 29.700 0.107 0.000 0.745 155 E HN 0.481 nan 8.360 nan 0.000 0.477 156 H N 0.213 118.905 119.070 -0.630 0.000 2.276 156 H HA -0.099 4.457 4.556 0.000 0.000 0.301 156 H C 2.250 177.265 175.328 -0.522 0.000 1.073 156 H CA 1.567 56.966 56.048 -1.083 0.000 1.311 156 H CB 0.022 29.443 29.762 -0.569 0.000 1.379 156 H HN 0.156 nan 8.280 nan 0.000 0.494 157 L N 0.400 121.468 121.223 -0.258 0.000 2.046 157 L HA -0.143 4.197 4.340 0.000 0.000 0.208 157 L C 3.088 179.878 176.870 -0.133 0.000 1.077 157 L CA 0.864 55.566 54.840 -0.230 0.000 0.747 157 L CB -0.744 41.201 42.059 -0.189 0.000 0.896 157 L HN 0.390 nan 8.230 nan 0.000 0.432 158 A N 0.554 123.309 122.820 -0.108 0.000 1.883 158 A HA -0.281 4.039 4.320 0.000 0.000 0.217 158 A C 2.411 179.971 177.584 -0.039 0.000 1.186 158 A CA 2.179 54.182 52.037 -0.058 0.000 0.624 158 A CB -0.551 18.428 19.000 -0.035 0.000 0.822 158 A HN 0.298 nan 8.150 nan 0.000 0.444 159 R N -0.100 120.369 120.500 -0.053 0.000 2.073 159 R HA 0.002 4.342 4.340 0.000 0.000 0.234 159 R C 1.975 178.293 176.300 0.029 0.000 1.134 159 R CA 1.669 57.783 56.100 0.024 0.000 0.952 159 R CB -1.005 29.354 30.300 0.099 0.000 0.850 159 R HN 0.522 nan 8.270 nan 0.000 0.433 160 L N 0.341 121.566 121.223 0.004 0.000 2.012 160 L HA -0.209 4.131 4.340 0.000 0.000 0.210 160 L C 2.609 179.465 176.870 -0.024 0.000 1.073 160 L CA 2.157 57.001 54.840 0.006 0.000 0.748 160 L CB -0.533 41.505 42.059 -0.035 0.000 0.891 160 L HN 0.437 nan 8.230 nan 0.000 0.431 161 E N -0.039 120.138 120.200 -0.039 0.000 2.072 161 E HA -0.243 4.107 4.350 0.000 0.000 0.191 161 E C 2.178 178.765 176.600 -0.021 0.000 0.985 161 E CA 1.122 57.501 56.400 -0.036 0.000 0.801 161 E CB -0.013 29.663 29.700 -0.040 0.000 0.750 161 E HN 0.467 nan 8.360 nan 0.000 0.452 162 A N 0.617 123.434 122.820 -0.006 0.000 1.908 162 A HA -0.154 4.167 4.320 0.000 0.000 0.218 162 A C 2.382 179.975 177.584 0.015 0.000 1.181 162 A CA 1.647 53.691 52.037 0.012 0.000 0.627 162 A CB -0.642 18.377 19.000 0.031 0.000 0.818 162 A HN 0.237 nan 8.150 nan 0.000 0.445 163 V N -0.508 119.411 119.914 0.007 0.000 2.379 163 V HA -0.188 3.932 4.120 0.000 0.000 0.245 163 V C 2.686 178.716 176.094 -0.107 0.000 1.044 163 V CA 2.305 64.584 62.300 -0.035 0.000 1.036 163 V CB -1.372 30.415 31.823 -0.061 0.000 0.664 163 V HN 0.586 nan 8.190 nan 0.000 0.453 164 T N -0.270 114.233 114.554 -0.084 0.000 2.652 164 T HA -0.284 4.066 4.350 0.000 0.000 0.267 164 T C 1.984 176.648 174.700 -0.060 0.000 1.039 164 T CA 2.031 64.080 62.100 -0.085 0.000 1.153 164 T CB -0.215 68.617 68.868 -0.060 0.000 0.863 164 T HN 0.381 nan 8.240 nan 0.000 0.428 165 K N 0.693 121.072 120.400 -0.036 0.000 2.026 165 K HA -0.118 4.202 4.320 0.000 0.000 0.208 165 K C 2.442 179.037 176.600 -0.008 0.000 1.048 165 K CA 1.441 57.717 56.287 -0.019 0.000 0.929 165 K CB -0.082 32.412 32.500 -0.010 0.000 0.713 165 K HN 0.385 nan 8.250 nan 0.000 0.439 166 E N 0.448 120.650 120.200 0.003 0.000 2.085 166 E HA -0.208 4.142 4.350 0.000 0.000 0.194 166 E C 1.892 178.508 176.600 0.027 0.000 0.994 166 E CA 1.375 57.794 56.400 0.032 0.000 0.801 166 E CB -0.024 29.721 29.700 0.075 0.000 0.743 166 E HN 0.324 nan 8.360 nan 0.000 0.453 167 I N 0.778 121.338 120.570 -0.017 0.000 2.202 167 I HA -0.245 3.925 4.170 0.000 0.000 0.242 167 I C 2.199 178.308 176.117 -0.014 0.000 1.091 167 I CA 1.281 62.566 61.300 -0.026 0.000 1.368 167 I CB -0.342 37.583 38.000 -0.124 0.000 1.058 167 I HN 0.128 nan 8.210 nan 0.000 0.410 168 E N 0.468 120.654 120.200 -0.025 0.000 2.150 168 E HA -0.184 4.166 4.350 0.000 0.000 0.193 168 E C 2.171 178.767 176.600 -0.006 0.000 0.985 168 E CA 1.969 58.358 56.400 -0.018 0.000 0.814 168 E CB -0.120 29.567 29.700 -0.023 0.000 0.752 168 E HN 0.639 nan 8.360 nan 0.000 0.466 169 T N -1.076 113.478 114.554 0.000 0.000 2.814 169 T HA -0.107 4.243 4.350 0.000 0.000 0.254 169 T C 2.310 177.017 174.700 0.013 0.000 1.037 169 T CA 1.503 63.607 62.100 0.006 0.000 1.143 169 T CB -0.673 68.200 68.868 0.009 0.000 0.866 169 T HN 0.208 nan 8.240 nan 0.000 0.431 170 T N -1.422 113.145 114.554 0.022 0.000 3.035 170 T HA 0.387 4.737 4.350 0.000 0.000 0.259 170 T C 1.790 176.507 174.700 0.029 0.000 1.078 170 T CA 0.665 62.782 62.100 0.029 0.000 1.132 170 T CB -0.721 68.173 68.868 0.044 0.000 0.900 170 T HN 1.243 nan 8.240 nan 0.000 0.480 171 G N 0.362 109.181 108.800 0.030 0.000 2.248 171 G HA2 0.018 3.978 3.960 0.000 0.000 0.252 171 G HA3 0.018 3.978 3.960 0.000 0.000 0.252 171 G C 0.120 175.054 174.900 0.056 0.000 1.085 171 G CA 0.494 45.611 45.100 0.030 0.000 0.845 171 G HN 1.178 nan 8.290 nan 0.000 0.494 172 T N -1.858 112.755 114.554 0.098 0.000 2.637 172 T HA 0.595 4.945 4.350 0.000 0.000 0.251 172 T C -1.546 173.350 174.700 0.327 0.000 2.148 172 T CA 0.516 62.731 62.100 0.192 0.000 0.956 172 T CB 0.333 69.264 68.868 0.105 0.000 2.303 172 T HN 2.027 nan 8.240 nan 0.000 0.393 173 Y N -0.595 119.713 120.300 0.014 0.000 2.774 173 Y HA 0.762 5.312 4.550 0.000 0.000 0.346 173 Y C -1.936 173.987 175.900 0.039 0.000 1.222 173 Y CA -1.192 56.926 58.100 0.031 0.000 1.088 173 Y CB 0.415 38.904 38.460 0.048 0.000 1.354 173 Y HN 0.586 nan 8.280 nan 0.000 0.455 174 Q N 1.530 121.327 119.800 -0.005 0.000 2.306 174 Q HA 0.535 4.875 4.340 0.000 0.000 0.265 174 Q C -1.391 174.562 176.000 -0.079 0.000 1.022 174 Q CA -0.989 54.757 55.803 -0.096 0.000 0.853 174 Q CB 3.019 31.760 28.738 0.004 0.000 1.327 174 Q HN 0.742 nan 8.270 nan 0.000 0.449 175 L N 1.326 122.499 121.223 -0.083 0.000 2.379 175 L HA 0.344 4.684 4.340 0.000 0.000 0.269 175 L C 0.586 177.465 176.870 0.016 0.000 1.084 175 L CA 0.049 54.891 54.840 0.004 0.000 0.802 175 L CB 1.218 43.299 42.059 0.037 0.000 1.175 175 L HN 0.720 nan 8.230 nan 0.000 0.448 176 T N 0.470 115.025 114.554 0.003 0.000 2.897 176 T HA 0.131 4.481 4.350 0.000 0.000 0.294 176 T C 1.393 176.088 174.700 -0.007 0.000 1.004 176 T CA -0.625 61.469 62.100 -0.010 0.000 1.106 176 T CB 0.542 69.385 68.868 -0.041 0.000 0.949 176 T HN 0.533 nan 8.240 nan 0.000 0.520 177 L N 1.368 122.589 121.223 -0.004 0.000 2.064 177 L HA -0.184 4.156 4.340 0.000 0.000 0.216 177 L C 2.001 178.882 176.870 0.017 0.000 1.077 177 L CA 2.393 57.227 54.840 -0.010 0.000 0.766 177 L CB -1.257 40.792 42.059 -0.018 0.000 0.890 177 L HN 0.945 nan 8.230 nan 0.000 0.435 178 D N -0.203 120.221 120.400 0.040 0.000 2.144 178 D HA -0.221 4.419 4.640 0.000 0.000 0.199 178 D C 1.902 178.326 176.300 0.206 0.000 0.984 178 D CA 1.368 55.436 54.000 0.113 0.000 0.834 178 D CB 0.212 41.093 40.800 0.135 0.000 0.955 178 D HN 0.577 nan 8.370 nan 0.000 0.465 179 E N -0.132 120.099 120.200 0.052 0.000 2.150 179 E HA -0.149 4.201 4.350 0.000 0.000 0.193 179 E C 2.050 178.856 176.600 0.342 0.000 0.985 179 E CA 0.204 56.636 56.400 0.053 0.000 0.814 179 E CB 0.024 29.579 29.700 -0.240 0.000 0.752 179 E HN 0.174 nan 8.360 nan 0.000 0.466 180 L N 1.066 122.380 121.223 0.152 0.000 2.056 180 L HA -0.130 4.210 4.340 0.000 0.000 0.207 180 L C 1.963 178.864 176.870 0.052 0.000 1.078 180 L CA 1.502 56.365 54.840 0.039 0.000 0.749 180 L CB -0.224 41.784 42.059 -0.084 0.000 0.901 180 L HN 0.102 nan 8.230 nan 0.000 0.433 181 I N -1.109 119.511 120.570 0.084 0.000 2.163 181 I HA -0.340 3.830 4.170 0.000 0.000 0.243 181 I C 2.404 178.617 176.117 0.159 0.000 1.085 181 I CA 1.862 63.204 61.300 0.069 0.000 1.347 181 I CB -0.502 37.537 38.000 0.066 0.000 1.044 181 I HN 0.334 nan 8.210 nan 0.000 0.408 182 F N 1.764 121.806 119.950 0.154 0.000 2.171 182 F HA -0.219 4.308 4.527 0.000 0.000 0.300 182 F C 2.438 178.370 175.800 0.220 0.000 1.090 182 F CA 1.392 59.520 58.000 0.214 0.000 1.293 182 F CB -0.252 38.944 39.000 0.326 0.000 1.013 182 F HN -0.002 nan 8.300 nan 0.000 0.486 183 A N 0.204 123.201 122.820 0.295 0.000 1.858 183 A HA -0.214 4.106 4.320 0.000 0.000 0.216 183 A C 2.303 179.808 177.584 -0.131 0.000 1.190 183 A CA 2.624 54.690 52.037 0.049 0.000 0.617 183 A CB -1.700 17.264 19.000 -0.060 0.000 0.827 183 A HN 0.542 nan 8.150 nan 0.000 0.443 184 T N -1.443 113.061 114.554 -0.083 0.000 2.759 184 T HA -0.192 4.158 4.350 0.000 0.000 0.269 184 T C 1.760 176.502 174.700 0.069 0.000 1.042 184 T CA 1.807 63.885 62.100 -0.037 0.000 1.140 184 T CB -0.380 68.478 68.868 -0.016 0.000 0.864 184 T HN 0.558 nan 8.240 nan 0.000 0.455 185 K N -0.018 120.424 120.400 0.070 0.000 2.167 185 K HA 0.174 4.494 4.320 0.000 0.000 0.203 185 K C 2.453 179.164 176.600 0.186 0.000 1.052 185 K CA 0.842 57.264 56.287 0.225 0.000 0.956 185 K CB -0.147 32.451 32.500 0.164 0.000 0.735 185 K HN 0.257 nan 8.250 nan 0.000 0.451 186 M N 0.469 119.988 119.600 -0.135 0.000 2.200 186 M HA -0.008 4.472 4.480 0.000 0.000 0.265 186 M C 2.379 178.552 176.300 -0.211 0.000 1.066 186 M CA 1.147 56.272 55.300 -0.292 0.000 1.127 186 M CB -0.877 31.434 32.600 -0.482 0.000 1.379 186 M HN 0.127 nan 8.290 nan 0.000 0.420 187 A N -0.635 122.045 122.820 -0.233 0.000 1.902 187 A HA -0.214 4.106 4.320 0.000 0.000 0.217 187 A C 2.002 179.499 177.584 -0.145 0.000 1.181 187 A CA 1.509 53.290 52.037 -0.427 0.000 0.623 187 A CB -1.109 17.260 19.000 -1.051 0.000 0.818 187 A HN 0.668 nan 8.150 nan 0.000 0.443 188 W N 0.893 122.154 121.300 -0.064 0.000 2.379 188 W HA -0.090 4.570 4.660 0.000 0.000 0.307 188 W C 2.296 178.753 176.519 -0.103 0.000 1.200 188 W CA 1.392 58.722 57.345 -0.024 0.000 1.297 188 W CB -0.692 28.746 29.460 -0.037 0.000 1.140 188 W HN 0.356 nan 8.180 nan 0.000 0.507 189 R N 0.405 120.852 120.500 -0.089 0.000 2.117 189 R HA -0.189 4.151 4.340 0.000 0.000 0.243 189 R C 1.155 177.292 176.300 -0.272 0.000 1.143 189 R CA 1.838 57.690 56.100 -0.414 0.000 0.968 189 R CB -0.564 29.252 30.300 -0.807 0.000 0.863 189 R HN 0.085 nan 8.270 nan 0.000 0.444 190 N N 0.095 118.683 118.700 -0.186 0.000 2.314 190 N HA 0.058 4.798 4.740 0.000 0.000 0.200 190 N C -0.775 174.673 175.510 -0.102 0.000 1.135 190 N CA 0.432 53.413 53.050 -0.115 0.000 0.835 190 N CB 1.075 39.545 38.487 -0.028 0.000 0.989 190 N HN 0.157 nan 8.380 nan 0.000 0.478 191 A N 2.251 124.989 122.820 -0.137 0.000 2.527 191 A HA 0.262 4.582 4.320 0.000 0.000 0.313 191 A C -1.038 176.472 177.584 -0.124 0.000 1.410 191 A CA -1.164 50.738 52.037 -0.225 0.000 1.060 191 A CB 0.475 19.393 19.000 -0.137 0.000 1.137 191 A HN -0.014 nan 8.150 nan 0.000 0.542 192 P HA -0.161 nan 4.420 nan 0.000 0.223 192 P C 0.821 178.060 177.300 -0.102 0.000 1.144 192 P CA 1.062 64.113 63.100 -0.082 0.000 0.783 192 P CB 0.212 31.864 31.700 -0.080 0.000 0.771 193 R N -1.580 118.817 120.500 -0.172 0.000 2.334 193 R HA 0.149 4.489 4.340 0.000 0.000 0.216 193 R C 0.591 176.877 176.300 -0.025 0.000 0.905 193 R CA -0.197 55.818 56.100 -0.141 0.000 1.064 193 R CB -0.167 29.829 30.300 -0.507 0.000 1.046 193 R HN 0.161 nan 8.270 nan 0.000 0.508 194 C N 0.694 119.962 119.300 -0.054 0.000 2.285 194 C HA 0.322 4.782 4.460 0.000 0.000 0.335 194 C C 1.734 176.676 174.990 -0.079 0.000 1.267 194 C CA -0.757 58.261 59.018 0.001 0.000 1.762 194 C CB -0.396 27.408 27.740 0.107 0.000 2.365 194 C HN 0.553 nan 8.230 nan 0.000 0.527 195 I N 4.168 124.669 120.570 -0.115 0.000 3.419 195 I HA 0.190 4.360 4.170 0.000 0.000 0.286 195 I C 1.802 177.955 176.117 0.061 0.000 1.268 195 I CA 0.935 62.099 61.300 -0.225 0.000 1.414 195 I CB 0.082 37.958 38.000 -0.206 0.000 1.074 195 I HN 0.923 nan 8.210 nan 0.000 0.457 196 G N 0.109 108.961 108.800 0.086 0.000 3.448 196 G HA2 0.051 4.011 3.960 0.000 0.000 0.261 196 G HA3 0.051 4.011 3.960 0.000 0.000 0.261 196 G C 1.216 176.140 174.900 0.041 0.000 1.173 196 G CA -0.373 44.786 45.100 0.099 0.000 0.835 196 G HN 0.243 nan 8.290 nan 0.000 0.534 197 R N -0.195 120.269 120.500 -0.060 0.000 2.341 197 R HA 0.059 4.399 4.340 0.000 0.000 0.213 197 R C 2.023 177.812 176.300 -0.853 0.000 1.082 197 R CA 0.283 56.052 56.100 -0.552 0.000 1.017 197 R CB -0.175 29.846 30.300 -0.467 0.000 0.860 197 R HN 0.479 nan 8.270 nan 0.000 0.473 198 I N 0.831 121.073 120.570 -0.547 0.000 2.567 198 I HA -0.244 3.926 4.170 0.000 0.000 0.257 198 I C 1.306 177.296 176.117 -0.212 0.000 1.184 198 I CA 1.263 62.398 61.300 -0.275 0.000 1.451 198 I CB 0.161 38.158 38.000 -0.004 0.000 1.089 198 I HN 0.183 nan 8.210 nan 0.000 0.441 199 Q N 0.598 120.198 119.800 -0.333 0.000 2.403 199 Q HA -0.098 4.242 4.340 0.000 0.000 0.203 199 Q C 1.612 177.065 176.000 -0.911 0.000 0.932 199 Q CA 0.395 55.991 55.803 -0.345 0.000 0.945 199 Q CB -0.217 28.509 28.738 -0.020 0.000 1.045 199 Q HN 0.785 nan 8.270 nan 0.000 0.511 200 W N 1.331 121.737 121.300 -1.489 0.000 2.290 200 W HA -0.262 4.398 4.660 0.000 0.000 0.311 200 W C 1.185 177.317 176.519 -0.646 0.000 1.238 200 W CA 1.714 57.980 57.345 -1.799 0.000 1.255 200 W CB -1.403 27.352 29.460 -1.177 0.000 1.145 200 W HN 0.176 nan 8.180 nan 0.000 0.506 201 S N 0.168 114.988 115.700 -1.468 0.000 2.593 201 S HA -0.000 4.470 4.470 0.000 0.000 0.217 201 S C 0.452 174.782 174.600 -0.450 0.000 0.966 201 S CA 0.305 57.842 58.200 -1.104 0.000 0.914 201 S CB -0.636 61.655 63.200 -1.515 0.000 0.776 201 S HN 0.242 nan 8.310 nan 0.000 0.523 202 N N 1.169 119.715 118.700 -0.257 0.000 2.955 202 N HA 0.518 5.258 4.740 0.000 0.000 0.242 202 N C -1.317 174.280 175.510 0.145 0.000 1.123 202 N CA -0.543 52.482 53.050 -0.042 0.000 0.949 202 N CB 0.453 38.932 38.487 -0.013 0.000 1.214 202 N HN 0.373 nan 8.380 nan 0.000 0.504 203 L N 1.531 122.800 121.223 0.077 0.000 2.455 203 L HA 0.518 4.858 4.340 0.000 0.000 0.264 203 L C -1.091 175.727 176.870 -0.088 0.000 0.968 203 L CA -0.659 54.208 54.840 0.046 0.000 0.827 203 L CB 2.057 44.182 42.059 0.110 0.000 1.317 203 L HN 0.342 nan 8.230 nan 0.000 0.407 204 Q N 2.859 122.553 119.800 -0.177 0.000 2.278 204 Q HA 0.629 4.969 4.340 0.000 0.000 0.257 204 Q C -1.740 173.884 176.000 -0.627 0.000 0.928 204 Q CA -0.325 55.214 55.803 -0.440 0.000 0.932 204 Q CB 1.621 29.986 28.738 -0.621 0.000 1.221 204 Q HN 0.511 nan 8.270 nan 0.000 0.434 205 V N 5.645 125.188 119.914 -0.618 0.000 2.370 205 V HA 0.437 4.558 4.120 0.000 0.000 0.283 205 V C -0.814 174.874 176.094 -0.676 0.000 1.023 205 V CA -0.556 61.430 62.300 -0.523 0.000 0.857 205 V CB 0.584 32.240 31.823 -0.279 0.000 0.985 205 V HN 0.669 nan 8.190 nan 0.000 0.443 206 F N 2.685 122.472 119.950 -0.272 0.000 2.361 206 F HA 0.361 4.888 4.527 0.000 0.000 0.364 206 F C 0.510 176.128 175.800 -0.303 0.000 1.117 206 F CA -1.117 56.716 58.000 -0.279 0.000 1.071 206 F CB 1.013 39.840 39.000 -0.288 0.000 1.188 206 F HN 0.433 nan 8.300 nan 0.000 0.464 207 D N 3.440 123.776 120.400 -0.107 0.000 2.374 207 D HA 0.331 4.971 4.640 0.000 0.000 0.240 207 D C 0.205 176.348 176.300 -0.261 0.000 1.229 207 D CA 0.214 54.105 54.000 -0.182 0.000 0.895 207 D CB 0.975 41.702 40.800 -0.122 0.000 1.046 207 D HN 0.611 nan 8.370 nan 0.000 0.498 208 A N 4.638 127.178 122.820 -0.466 0.000 2.637 208 A HA 0.154 4.474 4.320 0.000 0.000 0.293 208 A C 1.647 178.966 177.584 -0.441 0.000 1.216 208 A CA -0.420 51.192 52.037 -0.708 0.000 0.956 208 A CB 0.055 18.198 19.000 -1.429 0.000 1.174 208 A HN 0.521 nan 8.150 nan 0.000 0.525 209 R N 0.570 120.915 120.500 -0.260 0.000 2.241 209 R HA -0.140 4.200 4.340 0.000 0.000 0.224 209 R C 1.031 177.260 176.300 -0.118 0.000 1.101 209 R CA 1.505 57.518 56.100 -0.145 0.000 0.995 209 R CB -0.131 30.138 30.300 -0.051 0.000 0.870 209 R HN 0.774 nan 8.270 nan 0.000 0.463 210 N N -0.670 117.972 118.700 -0.096 0.000 2.336 210 N HA -0.037 4.703 4.740 0.000 0.000 0.189 210 N C 0.444 175.970 175.510 0.028 0.000 1.113 210 N CA -0.220 52.819 53.050 -0.018 0.000 0.858 210 N CB -0.118 38.377 38.487 0.013 0.000 0.970 210 N HN 0.023 nan 8.380 nan 0.000 0.471 211 C N 0.561 119.852 119.300 -0.016 0.000 2.775 211 C HA 0.380 4.840 4.460 0.000 0.000 0.391 211 C C 1.591 176.720 174.990 0.231 0.000 1.295 211 C CA 0.718 59.821 59.018 0.142 0.000 2.119 211 C CB 0.048 27.908 27.740 0.200 0.000 2.705 211 C HN 0.711 nan 8.230 nan 0.000 0.710 212 S N 0.120 116.055 115.700 0.393 0.000 2.583 212 S HA 0.186 4.656 4.470 0.000 0.000 0.264 212 S C -0.045 174.751 174.600 0.327 0.000 1.008 212 S CA 0.421 58.891 58.200 0.451 0.000 1.435 212 S CB -0.383 62.977 63.200 0.266 0.000 1.236 212 S HN 1.221 nan 8.310 nan 0.000 0.669 213 T N -1.350 113.379 114.554 0.291 0.000 2.906 213 T HA 0.846 5.196 4.350 0.000 0.000 0.295 213 T C 1.150 175.949 174.700 0.164 0.000 1.075 213 T CA -0.154 62.049 62.100 0.173 0.000 1.005 213 T CB 1.472 70.428 68.868 0.146 0.000 1.136 213 T HN 0.392 nan 8.240 nan 0.000 0.498 214 A N 0.580 123.465 122.820 0.108 0.000 1.972 214 A HA -0.056 4.264 4.320 0.000 0.000 0.219 214 A C 2.272 179.869 177.584 0.022 0.000 1.169 214 A CA 1.156 53.255 52.037 0.103 0.000 0.635 214 A CB -0.890 18.248 19.000 0.231 0.000 0.810 214 A HN 0.768 nan 8.150 nan 0.000 0.446 215 Q N -0.036 119.845 119.800 0.136 0.000 2.079 215 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 215 Q C 1.859 177.897 176.000 0.065 0.000 0.974 215 Q CA 1.817 57.673 55.803 0.090 0.000 0.840 215 Q CB -0.256 28.588 28.738 0.177 0.000 0.898 215 Q HN 0.823 nan 8.270 nan 0.000 0.430 216 E N -0.395 119.880 120.200 0.125 0.000 2.072 216 E HA -0.142 4.208 4.350 0.000 0.000 0.191 216 E C 2.148 178.925 176.600 0.296 0.000 0.985 216 E CA 0.912 57.412 56.400 0.167 0.000 0.801 216 E CB -0.071 29.792 29.700 0.272 0.000 0.750 216 E HN 0.338 nan 8.360 nan 0.000 0.452 217 M N 0.003 119.771 119.600 0.281 0.000 2.065 217 M HA -0.174 4.306 4.480 0.000 0.000 0.259 217 M C 2.256 178.648 176.300 0.155 0.000 1.069 217 M CA 1.379 56.835 55.300 0.260 0.000 1.110 217 M CB -0.388 32.133 32.600 -0.132 0.000 1.328 217 M HN 0.119 nan 8.290 nan 0.000 0.405 218 F N 1.492 121.267 119.950 -0.292 0.000 2.120 218 F HA -0.282 4.245 4.527 0.000 0.000 0.300 218 F C 2.345 178.033 175.800 -0.186 0.000 1.095 218 F CA 1.885 59.630 58.000 -0.425 0.000 1.249 218 F CB -0.435 37.965 39.000 -1.000 0.000 0.995 218 F HN 0.197 nan 8.300 nan 0.000 0.480 219 Q N -1.295 118.382 119.800 -0.204 0.000 2.119 219 Q HA -0.188 4.152 4.340 0.000 0.000 0.201 219 Q C 2.137 177.966 176.000 -0.285 0.000 0.972 219 Q CA 1.436 57.060 55.803 -0.299 0.000 0.847 219 Q CB -0.450 28.151 28.738 -0.229 0.000 0.903 219 Q HN 0.542 nan 8.270 nan 0.000 0.433 220 H N 0.280 119.309 119.070 -0.069 0.000 2.389 220 H HA -0.022 4.534 4.556 0.000 0.000 0.299 220 H C 2.100 177.369 175.328 -0.098 0.000 1.081 220 H CA 1.017 57.013 56.048 -0.087 0.000 1.345 220 H CB 0.100 29.866 29.762 0.007 0.000 1.393 220 H HN 0.247 nan 8.280 nan 0.000 0.520 221 I N -0.109 120.510 120.570 0.081 0.000 2.315 221 I HA -0.258 3.912 4.170 0.000 0.000 0.248 221 I C 2.536 178.571 176.117 -0.136 0.000 1.117 221 I CA 0.624 61.924 61.300 0.001 0.000 1.404 221 I CB -0.150 37.840 38.000 -0.017 0.000 1.071 221 I HN 0.206 nan 8.210 nan 0.000 0.419 222 C N 0.253 119.367 119.300 -0.310 0.000 2.446 222 C HA -0.137 4.323 4.460 0.000 0.000 0.277 222 C C 2.962 177.838 174.990 -0.190 0.000 1.275 222 C CA 0.816 59.646 59.018 -0.313 0.000 1.727 222 C CB -1.108 26.344 27.740 -0.479 0.000 2.010 222 C HN 0.473 nan 8.230 nan 0.000 0.486 223 R N -0.048 120.318 120.500 -0.223 0.000 2.096 223 R HA -0.179 4.161 4.340 0.000 0.000 0.235 223 R C 2.414 178.557 176.300 -0.262 0.000 1.127 223 R CA 1.643 57.587 56.100 -0.260 0.000 0.968 223 R CB -0.643 29.427 30.300 -0.383 0.000 0.861 223 R HN 0.641 nan 8.270 nan 0.000 0.440 224 H N 1.033 119.891 119.070 -0.353 0.000 2.256 224 H HA -0.120 4.436 4.556 0.000 0.000 0.299 224 H C 2.089 177.424 175.328 0.012 0.000 1.071 224 H CA 2.359 58.290 56.048 -0.194 0.000 1.280 224 H CB -0.375 29.335 29.762 -0.086 0.000 1.370 224 H HN 0.226 nan 8.280 nan 0.000 0.490 225 I N 0.668 121.355 120.570 0.194 0.000 2.145 225 I HA -0.318 3.852 4.170 0.000 0.000 0.244 225 I C 2.995 179.170 176.117 0.098 0.000 1.075 225 I CA 1.102 62.473 61.300 0.118 0.000 1.332 225 I CB -0.365 37.636 38.000 0.001 0.000 1.033 225 I HN 0.274 nan 8.210 nan 0.000 0.410 226 L N -0.133 121.117 121.223 0.046 0.000 2.017 226 L HA -0.285 4.055 4.340 0.000 0.000 0.208 226 L C 2.731 179.638 176.870 0.062 0.000 1.073 226 L CA 2.022 56.881 54.840 0.031 0.000 0.745 226 L CB -0.546 41.512 42.059 -0.002 0.000 0.894 226 L HN 0.287 nan 8.230 nan 0.000 0.432 227 Y N 0.649 120.953 120.300 0.007 0.000 2.114 227 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 227 Y C 2.486 178.446 175.900 0.100 0.000 1.143 227 Y CA 2.025 60.164 58.100 0.065 0.000 1.135 227 Y CB -0.483 38.061 38.460 0.140 0.000 0.980 227 Y HN 0.211 nan 8.280 nan 0.000 0.499 228 A N -0.662 122.258 122.820 0.167 0.000 1.933 228 A HA -0.170 4.151 4.320 0.000 0.000 0.218 228 A C 2.189 179.790 177.584 0.029 0.000 1.175 228 A CA 2.245 54.351 52.037 0.115 0.000 0.628 228 A CB -1.308 17.884 19.000 0.320 0.000 0.814 228 A HN 0.552 nan 8.150 nan 0.000 0.444 229 T N -0.246 114.334 114.554 0.042 0.000 2.777 229 T HA -0.105 4.245 4.350 0.000 0.000 0.266 229 T C 1.139 175.829 174.700 -0.017 0.000 1.040 229 T CA 1.177 63.299 62.100 0.036 0.000 1.141 229 T CB -0.434 68.459 68.868 0.041 0.000 0.868 229 T HN 0.674 nan 8.240 nan 0.000 0.444 230 N N 1.969 120.627 118.700 -0.070 0.000 2.708 230 N HA -0.294 4.446 4.740 0.000 0.000 0.251 230 N C 0.162 175.640 175.510 -0.055 0.000 1.017 230 N CA 0.993 53.984 53.050 -0.098 0.000 0.742 230 N CB -2.134 36.249 38.487 -0.175 0.000 0.943 230 N HN 0.665 nan 8.380 nan 0.000 0.539 231 N N -1.918 116.763 118.700 -0.032 0.000 2.741 231 N HA -0.242 4.498 4.740 0.000 0.000 0.250 231 N C 0.852 176.344 175.510 -0.030 0.000 1.115 231 N CA 1.176 54.209 53.050 -0.027 0.000 0.724 231 N CB -1.260 37.209 38.487 -0.030 0.000 1.090 231 N HN 1.131 nan 8.380 nan 0.000 0.558 232 G N 0.223 109.012 108.800 -0.019 0.000 2.259 232 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 232 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 232 G C -0.103 174.789 174.900 -0.013 0.000 1.001 232 G CA 0.279 45.369 45.100 -0.017 0.000 0.627 232 G HN 0.586 nan 8.290 nan 0.000 0.501 233 N N 1.757 120.438 118.700 -0.032 0.000 3.034 233 N HA 0.365 5.105 4.740 0.000 0.000 0.265 233 N C 0.648 176.142 175.510 -0.027 0.000 1.166 233 N CA -0.779 52.239 53.050 -0.053 0.000 1.081 233 N CB -0.135 38.314 38.487 -0.064 0.000 1.378 233 N HN 0.191 nan 8.380 nan 0.000 0.520 234 I N 2.150 122.740 120.570 0.032 0.000 2.845 234 I HA -0.088 4.082 4.170 0.000 0.000 0.296 234 I C 0.755 176.994 176.117 0.203 0.000 1.216 234 I CA 0.973 62.359 61.300 0.144 0.000 1.438 234 I CB -0.062 38.120 38.000 0.303 0.000 1.342 234 I HN 0.413 nan 8.210 nan 0.000 0.577 235 R N 3.884 124.473 120.500 0.148 0.000 2.561 235 R HA 0.391 4.731 4.340 0.000 0.000 0.297 235 R C -0.514 175.905 176.300 0.198 0.000 0.969 235 R CA -0.655 55.535 56.100 0.151 0.000 0.879 235 R CB 1.983 32.206 30.300 -0.128 0.000 1.178 235 R HN 0.548 nan 8.270 nan 0.000 0.445 236 S N 1.473 117.281 115.700 0.180 0.000 2.548 236 S HA 0.556 5.026 4.470 0.000 0.000 0.277 236 S C -0.325 174.310 174.600 0.058 0.000 1.315 236 S CA -0.293 57.921 58.200 0.023 0.000 1.050 236 S CB 1.353 64.454 63.200 -0.165 0.000 0.918 236 S HN 0.707 nan 8.310 nan 0.000 0.497 237 A N 2.741 125.579 122.820 0.029 0.000 2.602 237 A HA 0.863 5.183 4.320 0.000 0.000 0.290 237 A C -1.359 176.233 177.584 0.014 0.000 1.114 237 A CA -0.677 51.309 52.037 -0.086 0.000 0.683 237 A CB 1.177 20.106 19.000 -0.118 0.000 1.281 237 A HN 0.796 nan 8.150 nan 0.000 0.416 238 I N -0.042 120.498 120.570 -0.051 0.000 2.752 238 I HA 0.618 4.788 4.170 0.000 0.000 0.295 238 I C -1.337 174.861 176.117 0.135 0.000 1.219 238 I CA -0.151 61.266 61.300 0.194 0.000 1.030 238 I CB 2.458 40.492 38.000 0.056 0.000 1.259 238 I HN 0.586 nan 8.210 nan 0.000 0.423 239 T N 6.138 120.843 114.554 0.252 0.000 2.833 239 T HA 0.383 4.733 4.350 0.000 0.000 0.297 239 T C -0.667 173.916 174.700 -0.194 0.000 1.015 239 T CA -0.316 61.805 62.100 0.035 0.000 0.963 239 T CB 1.318 70.228 68.868 0.070 0.000 0.955 239 T HN 0.261 nan 8.240 nan 0.000 0.449 240 V N 5.408 125.143 119.914 -0.298 0.000 2.389 240 V HA 0.390 4.510 4.120 0.000 0.000 0.264 240 V C -0.126 175.725 176.094 -0.406 0.000 1.049 240 V CA -0.504 61.613 62.300 -0.305 0.000 0.932 240 V CB -0.501 31.082 31.823 -0.401 0.000 1.011 240 V HN 0.723 nan 8.190 nan 0.000 0.475 241 F N 5.351 125.260 119.950 -0.069 0.000 2.375 241 F HA 0.453 4.980 4.527 0.000 0.000 0.317 241 F C -1.756 173.968 175.800 -0.126 0.000 1.124 241 F CA -2.479 55.409 58.000 -0.188 0.000 1.050 241 F CB 0.500 39.404 39.000 -0.160 0.000 1.314 241 F HN 0.310 nan 8.300 nan 0.000 0.511 242 P HA -0.075 nan 4.420 nan 0.000 0.258 242 P C -1.116 176.222 177.300 0.063 0.000 1.172 242 P CA 0.135 63.145 63.100 -0.151 0.000 0.762 242 P CB 0.041 31.448 31.700 -0.489 0.000 0.764 243 Q N 3.529 123.337 119.800 0.014 0.000 2.428 243 Q HA 0.029 4.369 4.340 0.000 0.000 0.276 243 Q C 0.206 176.099 176.000 -0.180 0.000 1.059 243 Q CA -0.391 55.154 55.803 -0.430 0.000 0.923 243 Q CB 0.732 28.901 28.738 -0.948 0.000 1.283 243 Q HN 0.355 nan 8.270 nan 0.000 0.447 244 R N 1.268 121.658 120.500 -0.185 0.000 2.570 244 R HA -0.009 4.331 4.340 0.000 0.000 0.277 244 R C 0.156 176.419 176.300 -0.062 0.000 1.039 244 R CA 0.798 56.871 56.100 -0.044 0.000 1.065 244 R CB 0.529 30.805 30.300 -0.041 0.000 0.964 244 R HN 0.973 nan 8.270 nan 0.000 0.428 245 S N 2.185 117.888 115.700 0.005 0.000 2.738 245 S HA -0.048 4.422 4.470 0.000 0.000 0.216 245 S C 0.948 175.549 174.600 0.002 0.000 0.968 245 S CA 0.278 58.471 58.200 -0.012 0.000 0.879 245 S CB 0.015 63.204 63.200 -0.018 0.000 0.837 245 S HN 0.846 nan 8.310 nan 0.000 0.622 246 D N 0.035 120.453 120.400 0.029 0.000 2.417 246 D HA 0.271 4.911 4.640 0.000 0.000 0.207 246 D C 1.449 177.785 176.300 0.060 0.000 1.075 246 D CA 0.955 54.979 54.000 0.039 0.000 0.851 246 D CB 0.294 41.121 40.800 0.044 0.000 0.976 246 D HN 0.773 nan 8.370 nan 0.000 0.505 247 G N 1.300 110.148 108.800 0.080 0.000 2.213 247 G HA2 -0.281 3.679 3.960 0.000 0.000 0.226 247 G HA3 -0.281 3.679 3.960 0.000 0.000 0.226 247 G C 1.044 175.992 174.900 0.080 0.000 0.992 247 G CA 0.269 45.407 45.100 0.063 0.000 0.632 247 G HN 0.405 nan 8.290 nan 0.000 0.511 248 K N -0.229 120.258 120.400 0.144 0.000 2.358 248 K HA 0.272 4.592 4.320 0.000 0.000 0.197 248 K C 0.314 176.886 176.600 -0.047 0.000 1.025 248 K CA 0.218 56.554 56.287 0.082 0.000 1.104 248 K CB 0.318 32.887 32.500 0.115 0.000 0.855 248 K HN 0.472 nan 8.250 nan 0.000 0.531 249 H N 0.580 119.664 119.070 0.023 0.000 2.551 249 H HA 0.208 4.764 4.556 0.000 0.000 0.238 249 H C -1.235 174.125 175.328 0.054 0.000 1.345 249 H CA -0.867 55.194 56.048 0.021 0.000 1.105 249 H CB 0.083 29.875 29.762 0.050 0.000 1.805 249 H HN -0.032 nan 8.280 nan 0.000 0.553 250 D N 0.489 120.939 120.400 0.083 0.000 2.308 250 D HA 0.087 4.727 4.640 0.000 0.000 0.251 250 D C -0.039 176.295 176.300 0.056 0.000 1.127 250 D CA -0.037 54.032 54.000 0.115 0.000 0.876 250 D CB 0.577 41.422 40.800 0.075 0.000 1.176 250 D HN 0.149 nan 8.370 nan 0.000 0.446 251 F N 2.641 122.624 119.950 0.055 0.000 2.396 251 F HA 0.374 4.901 4.527 0.000 0.000 0.343 251 F C 1.012 176.822 175.800 0.016 0.000 1.104 251 F CA -0.032 57.975 58.000 0.011 0.000 1.161 251 F CB 0.766 39.779 39.000 0.022 0.000 1.146 251 F HN -0.095 nan 8.300 nan 0.000 0.522 252 R N 3.726 124.284 120.500 0.096 0.000 2.604 252 R HA 0.452 4.792 4.340 0.000 0.000 0.270 252 R C -1.913 174.500 176.300 0.190 0.000 1.052 252 R CA -1.072 55.121 56.100 0.155 0.000 0.902 252 R CB 2.075 32.494 30.300 0.199 0.000 1.233 252 R HN 0.460 nan 8.270 nan 0.000 0.455 253 L N 1.595 122.929 121.223 0.186 0.000 2.282 253 L HA 0.382 4.722 4.340 0.000 0.000 0.288 253 L C 0.638 177.742 176.870 0.390 0.000 1.033 253 L CA -0.152 54.810 54.840 0.205 0.000 0.807 253 L CB 0.779 42.888 42.059 0.084 0.000 1.209 253 L HN 0.583 nan 8.230 nan 0.000 0.423 254 W N 0.615 122.005 121.300 0.151 0.000 2.905 254 W HA 0.097 4.757 4.660 0.000 0.000 0.251 254 W C 0.474 177.178 176.519 0.308 0.000 1.305 254 W CA -0.557 56.989 57.345 0.335 0.000 1.465 254 W CB -0.820 28.944 29.460 0.506 0.000 1.122 254 W HN 0.485 nan 8.180 nan 0.000 0.659 255 N N -0.609 118.246 118.700 0.258 0.000 2.525 255 N HA 0.064 4.804 4.740 0.000 0.000 0.271 255 N C 1.135 176.516 175.510 -0.215 0.000 1.194 255 N CA 0.329 53.227 53.050 -0.254 0.000 0.964 255 N CB 0.938 39.346 38.487 -0.132 0.000 1.126 255 N HN -0.302 nan 8.380 nan 0.000 0.452 256 S N 0.055 115.558 115.700 -0.328 0.000 2.357 256 S HA -0.063 4.407 4.470 0.000 0.000 0.221 256 S C 0.516 175.014 174.600 -0.170 0.000 1.031 256 S CA 1.028 59.126 58.200 -0.170 0.000 0.982 256 S CB -0.100 63.023 63.200 -0.129 0.000 0.853 256 S HN 0.654 nan 8.310 nan 0.000 0.458 257 Q N -0.346 119.336 119.800 -0.198 0.000 2.484 257 Q HA 0.451 4.792 4.340 0.000 0.000 0.285 257 Q C 0.286 176.154 176.000 -0.219 0.000 1.097 257 Q CA -0.875 54.808 55.803 -0.200 0.000 0.802 257 Q CB 0.730 29.386 28.738 -0.136 0.000 1.444 257 Q HN 0.007 nan 8.270 nan 0.000 0.429 258 L N 0.401 121.489 121.223 -0.226 0.000 1.970 258 L HA 0.041 4.381 4.340 0.000 0.000 0.212 258 L C 0.967 177.687 176.870 -0.250 0.000 1.071 258 L CA 1.774 56.489 54.840 -0.208 0.000 0.751 258 L CB -0.337 41.590 42.059 -0.219 0.000 0.889 258 L HN 0.619 nan 8.230 nan 0.000 0.432 259 I N -0.973 119.380 120.570 -0.363 0.000 2.377 259 I HA 0.433 4.603 4.170 0.000 0.000 0.293 259 I C -0.177 175.322 176.117 -1.029 0.000 0.987 259 I CA -0.599 60.320 61.300 -0.636 0.000 1.185 259 I CB 1.636 39.232 38.000 -0.674 0.000 1.341 259 I HN 0.048 nan 8.210 nan 0.000 0.455 260 R N 4.567 124.532 120.500 -0.892 0.000 2.634 260 R HA 0.443 4.783 4.340 0.000 0.000 0.263 260 R C -1.982 174.048 176.300 -0.450 0.000 1.060 260 R CA -0.766 54.911 56.100 -0.705 0.000 0.898 260 R CB 1.058 31.177 30.300 -0.302 0.000 1.253 260 R HN 0.299 nan 8.270 nan 0.000 0.461 261 Y N 1.121 121.383 120.300 -0.063 0.000 2.335 261 Y HA 0.665 5.215 4.550 0.000 0.000 0.323 261 Y C 0.838 176.743 175.900 0.009 0.000 1.224 261 Y CA -0.381 57.742 58.100 0.038 0.000 1.241 261 Y CB 1.378 39.970 38.460 0.220 0.000 1.235 261 Y HN 0.726 nan 8.280 nan 0.000 0.492 262 A N 1.103 124.000 122.820 0.129 0.000 2.351 262 A HA 0.643 4.963 4.320 0.000 0.000 0.257 262 A C 0.427 177.825 177.584 -0.310 0.000 1.087 262 A CA 0.140 52.071 52.037 -0.177 0.000 0.798 262 A CB -0.136 18.675 19.000 -0.314 0.000 1.033 262 A HN 0.908 nan 8.150 nan 0.000 0.488 263 G N 0.140 108.698 108.800 -0.404 0.000 2.557 263 G HA2 0.567 4.527 3.960 0.000 0.000 0.310 263 G HA3 0.567 4.527 3.960 0.000 0.000 0.310 263 G C -1.236 173.447 174.900 -0.361 0.000 1.328 263 G CA -0.254 44.674 45.100 -0.288 0.000 0.945 263 G HN 0.536 nan 8.290 nan 0.000 0.494 264 Y N 0.783 121.121 120.300 0.063 0.000 2.341 264 Y HA 0.386 4.936 4.550 0.000 0.000 0.338 264 Y C 0.409 176.366 175.900 0.095 0.000 0.965 264 Y CA -1.104 57.057 58.100 0.100 0.000 1.108 264 Y CB 2.525 41.084 38.460 0.164 0.000 1.180 264 Y HN 0.482 nan 8.280 nan 0.000 0.458 265 Q N 3.934 123.881 119.800 0.245 0.000 2.472 265 Q HA 0.229 4.569 4.340 0.000 0.000 0.227 265 Q C -0.662 175.433 176.000 0.158 0.000 1.156 265 Q CA -0.283 55.612 55.803 0.152 0.000 0.924 265 Q CB 0.119 28.922 28.738 0.109 0.000 1.354 265 Q HN 0.511 nan 8.270 nan 0.000 0.525 266 M N 4.686 124.368 119.600 0.136 0.000 2.228 266 M HA 0.030 4.510 4.480 0.000 0.000 0.303 266 M C -1.311 175.002 176.300 0.022 0.000 1.099 266 M CA -1.740 53.602 55.300 0.071 0.000 1.171 266 M CB -0.596 32.027 32.600 0.039 0.000 1.412 266 M HN 0.429 nan 8.290 nan 0.000 0.447 267 P HA -0.166 nan 4.420 nan 0.000 0.216 267 P C 0.312 177.599 177.300 -0.021 0.000 1.153 267 P CA 1.524 64.602 63.100 -0.036 0.000 0.848 267 P CB -0.308 31.346 31.700 -0.076 0.000 0.787 268 D N -0.947 119.440 120.400 -0.022 0.000 2.355 268 D HA 0.081 4.721 4.640 0.000 0.000 0.253 268 D C 1.478 177.777 176.300 -0.001 0.000 1.187 268 D CA 0.479 54.470 54.000 -0.014 0.000 0.900 268 D CB -1.129 39.660 40.800 -0.018 0.000 0.915 268 D HN 0.332 nan 8.370 nan 0.000 0.516 269 G N 0.225 109.029 108.800 0.007 0.000 2.377 269 G HA2 -0.352 3.608 3.960 0.000 0.000 0.250 269 G HA3 -0.352 3.608 3.960 0.000 0.000 0.250 269 G C 0.691 175.604 174.900 0.023 0.000 1.039 269 G CA 0.778 45.887 45.100 0.015 0.000 0.625 269 G HN 0.849 nan 8.290 nan 0.000 0.526 270 T N -0.220 114.347 114.554 0.021 0.000 2.856 270 T HA 0.577 4.927 4.350 0.000 0.000 0.306 270 T C 0.506 175.231 174.700 0.042 0.000 1.062 270 T CA 0.016 62.132 62.100 0.025 0.000 1.083 270 T CB 1.475 70.355 68.868 0.019 0.000 0.984 270 T HN 0.624 nan 8.240 nan 0.000 0.542 271 I N 1.471 122.064 120.570 0.038 0.000 2.404 271 I HA 0.470 4.640 4.170 0.000 0.000 0.293 271 I C 0.459 176.598 176.117 0.038 0.000 0.992 271 I CA -0.982 60.347 61.300 0.048 0.000 1.149 271 I CB 1.758 39.772 38.000 0.024 0.000 1.315 271 I HN 0.667 nan 8.210 nan 0.000 0.446 272 R N 4.410 124.964 120.500 0.090 0.000 2.637 272 R HA 0.719 5.059 4.340 0.000 0.000 0.291 272 R C 0.271 176.600 176.300 0.048 0.000 0.963 272 R CA 0.415 56.564 56.100 0.083 0.000 0.901 272 R CB 1.705 32.108 30.300 0.172 0.000 1.160 272 R HN 0.875 nan 8.270 nan 0.000 0.457 273 G N 2.593 111.337 108.800 -0.093 0.000 2.498 273 G HA2 -0.273 3.687 3.960 0.000 0.000 0.245 273 G HA3 -0.273 3.687 3.960 0.000 0.000 0.245 273 G C -1.053 173.542 174.900 -0.508 0.000 1.204 273 G CA 0.139 45.131 45.100 -0.180 0.000 0.933 273 G HN 0.670 nan 8.290 nan 0.000 0.574 274 D N 1.913 122.169 120.400 -0.239 0.000 2.441 274 D HA 0.585 5.225 4.640 0.000 0.000 0.221 274 D C 1.543 177.802 176.300 -0.067 0.000 1.156 274 D CA 0.757 54.654 54.000 -0.172 0.000 0.896 274 D CB 0.665 41.646 40.800 0.301 0.000 1.028 274 D HN 0.902 nan 8.370 nan 0.000 0.509 275 A N 3.593 126.354 122.820 -0.098 0.000 2.084 275 A HA -0.156 4.164 4.320 0.000 0.000 0.221 275 A C 2.000 179.611 177.584 0.045 0.000 1.161 275 A CA 1.802 53.829 52.037 -0.016 0.000 0.653 275 A CB -0.181 18.815 19.000 -0.007 0.000 0.802 275 A HN 0.592 nan 8.150 nan 0.000 0.457 276 A N -0.641 122.233 122.820 0.089 0.000 2.119 276 A HA 0.083 4.403 4.320 0.000 0.000 0.217 276 A C 1.950 179.606 177.584 0.120 0.000 1.153 276 A CA 1.788 53.902 52.037 0.129 0.000 0.692 276 A CB -0.714 18.393 19.000 0.178 0.000 0.799 276 A HN 0.784 nan 8.150 nan 0.000 0.458 277 T N -3.207 111.403 114.554 0.094 0.000 3.176 277 T HA 0.369 4.719 4.350 0.000 0.000 0.263 277 T C 1.375 176.103 174.700 0.047 0.000 1.021 277 T CA -0.085 62.067 62.100 0.086 0.000 0.905 277 T CB -0.320 68.596 68.868 0.080 0.000 1.057 277 T HN 0.217 nan 8.240 nan 0.000 0.558 278 L N 0.781 122.022 121.223 0.030 0.000 1.997 278 L HA -0.167 4.173 4.340 0.000 0.000 0.216 278 L C 2.903 179.778 176.870 0.008 0.000 1.074 278 L CA 1.948 56.793 54.840 0.009 0.000 0.763 278 L CB -0.422 41.653 42.059 0.027 0.000 0.890 278 L HN 0.416 nan 8.230 nan 0.000 0.434 279 E N -0.702 119.512 120.200 0.022 0.000 2.007 279 E HA -0.264 4.086 4.350 0.000 0.000 0.194 279 E C 2.042 178.595 176.600 -0.078 0.000 0.999 279 E CA 1.518 57.904 56.400 -0.024 0.000 0.811 279 E CB -0.254 29.440 29.700 -0.010 0.000 0.762 279 E HN 0.324 nan 8.360 nan 0.000 0.450 280 F N 1.830 121.654 119.950 -0.210 0.000 2.154 280 F HA -0.234 4.293 4.527 0.000 0.000 0.301 280 F C 2.359 178.046 175.800 -0.189 0.000 1.087 280 F CA 1.659 59.500 58.000 -0.266 0.000 1.274 280 F CB -0.333 38.562 39.000 -0.176 0.000 1.009 280 F HN -0.061 nan 8.300 nan 0.000 0.485 281 T N -0.416 114.113 114.554 -0.041 0.000 2.881 281 T HA -0.240 4.110 4.350 0.000 0.000 0.270 281 T C 1.679 176.324 174.700 -0.090 0.000 1.068 281 T CA 1.464 63.489 62.100 -0.125 0.000 1.131 281 T CB -0.231 68.548 68.868 -0.148 0.000 0.871 281 T HN 0.272 nan 8.240 nan 0.000 0.479 282 Q N 1.156 120.898 119.800 -0.097 0.000 1.994 282 Q HA 0.090 4.430 4.340 0.000 0.000 0.198 282 Q C 2.166 178.086 176.000 -0.133 0.000 0.976 282 Q CA 1.237 57.001 55.803 -0.065 0.000 0.828 282 Q CB -0.867 27.835 28.738 -0.059 0.000 0.894 282 Q HN 0.524 nan 8.270 nan 0.000 0.432 283 L N -0.221 120.850 121.223 -0.252 0.000 2.103 283 L HA -0.308 4.032 4.340 0.000 0.000 0.215 283 L C 2.085 178.795 176.870 -0.268 0.000 1.080 283 L CA 1.855 56.527 54.840 -0.280 0.000 0.764 283 L CB -0.432 41.370 42.059 -0.429 0.000 0.890 283 L HN 0.416 nan 8.230 nan 0.000 0.435 284 C N -0.251 118.830 119.300 -0.364 0.000 2.462 284 C HA -0.153 4.307 4.460 0.000 0.000 0.278 284 C C 2.628 177.650 174.990 0.054 0.000 1.253 284 C CA 0.509 59.380 59.018 -0.245 0.000 1.713 284 C CB -0.802 26.704 27.740 -0.391 0.000 2.049 284 C HN 0.582 nan 8.230 nan 0.000 0.477 285 I N 1.475 122.126 120.570 0.135 0.000 2.163 285 I HA -0.176 3.994 4.170 0.000 0.000 0.243 285 I C 2.027 178.163 176.117 0.032 0.000 1.085 285 I CA 1.884 63.269 61.300 0.142 0.000 1.347 285 I CB -1.560 36.508 38.000 0.113 0.000 1.044 285 I HN 0.373 nan 8.210 nan 0.000 0.408 286 D N 0.623 121.010 120.400 -0.021 0.000 2.218 286 D HA -0.101 4.539 4.640 0.000 0.000 0.204 286 D C 2.037 178.293 176.300 -0.073 0.000 0.976 286 D CA 0.827 54.791 54.000 -0.060 0.000 0.853 286 D CB -0.088 40.655 40.800 -0.094 0.000 0.939 286 D HN 0.335 nan 8.370 nan 0.000 0.481 287 L N -0.818 120.369 121.223 -0.060 0.000 2.629 287 L HA 0.241 4.581 4.340 0.000 0.000 0.230 287 L C 1.513 178.360 176.870 -0.039 0.000 1.151 287 L CA 0.285 55.089 54.840 -0.060 0.000 0.924 287 L CB 0.085 42.100 42.059 -0.072 0.000 1.137 287 L HN 0.138 nan 8.230 nan 0.000 0.457 288 G N -1.094 107.697 108.800 -0.014 0.000 2.238 288 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 288 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 288 G C -0.003 174.914 174.900 0.027 0.000 0.996 288 G CA -0.300 44.791 45.100 -0.016 0.000 0.632 288 G HN 0.298 nan 8.290 nan 0.000 0.503 289 W N 3.347 124.581 121.300 -0.109 0.000 2.231 289 W HA 0.532 5.192 4.660 0.000 0.000 0.341 289 W C 0.523 177.004 176.519 -0.064 0.000 1.298 289 W CA 0.136 57.428 57.345 -0.089 0.000 1.266 289 W CB 0.657 30.061 29.460 -0.093 0.000 1.172 289 W HN 0.004 nan 8.180 nan 0.000 0.568 290 K N 8.871 128.773 120.400 -0.830 0.000 2.264 290 K HA 0.234 4.554 4.320 0.000 0.000 0.277 290 K C -2.264 173.545 176.600 -1.318 0.000 1.067 290 K CA -1.829 53.993 56.287 -0.776 0.000 0.900 290 K CB 0.711 32.921 32.500 -0.482 0.000 1.124 290 K HN 0.271 nan 8.250 nan 0.000 0.469 291 P HA 0.067 nan 4.420 nan 0.000 0.267 291 P C -0.244 176.559 177.300 -0.828 0.000 1.200 291 P CA 0.038 62.548 63.100 -0.982 0.000 0.772 291 P CB 0.742 31.961 31.700 -0.801 0.000 0.855 292 R N 1.067 121.147 120.500 -0.700 0.000 2.509 292 R HA 0.104 4.444 4.340 0.000 0.000 0.297 292 R C 0.002 176.090 176.300 -0.354 0.000 0.951 292 R CA -0.511 55.378 56.100 -0.352 0.000 1.103 292 R CB -0.309 29.931 30.300 -0.101 0.000 1.283 292 R HN 0.417 nan 8.270 nan 0.000 0.534 293 Y N 0.860 120.655 120.300 -0.841 0.000 2.967 293 Y HA -0.264 4.286 4.550 0.000 0.000 0.208 293 Y C 0.948 176.642 175.900 -0.344 0.000 1.214 293 Y CA 0.798 58.302 58.100 -0.994 0.000 0.915 293 Y CB -1.714 36.398 38.460 -0.580 0.000 1.218 293 Y HN 0.227 nan 8.280 nan 0.000 0.472 294 G N -0.346 108.464 108.800 0.017 0.000 2.735 294 G HA2 0.597 4.558 3.960 0.000 0.000 0.301 294 G HA3 0.597 4.558 3.960 0.000 0.000 0.301 294 G C 0.461 175.442 174.900 0.136 0.000 1.279 294 G CA -1.039 44.127 45.100 0.110 0.000 1.019 294 G HN 0.259 nan 8.290 nan 0.000 0.497 295 R N -1.239 119.208 120.500 -0.089 0.000 2.127 295 R HA 0.107 4.447 4.340 0.000 0.000 0.217 295 R C -0.019 175.862 176.300 -0.697 0.000 1.074 295 R CA 0.883 56.740 56.100 -0.405 0.000 0.991 295 R CB -0.002 29.872 30.300 -0.709 0.000 0.895 295 R HN 0.381 nan 8.270 nan 0.000 0.450 296 F N 0.955 120.860 119.950 -0.075 0.000 2.597 296 F HA 0.273 4.800 4.527 0.000 0.000 0.336 296 F C -0.800 174.907 175.800 -0.155 0.000 1.432 296 F CA -1.240 56.416 58.000 -0.573 0.000 1.120 296 F CB 0.556 39.094 39.000 -0.770 0.000 1.253 296 F HN -0.314 nan 8.300 nan 0.000 0.546 297 D N 1.570 122.123 120.400 0.254 0.000 2.313 297 D HA 0.217 4.857 4.640 0.000 0.000 0.239 297 D C 0.152 176.720 176.300 0.446 0.000 1.142 297 D CA -0.030 54.204 54.000 0.389 0.000 0.847 297 D CB 2.493 43.597 40.800 0.506 0.000 1.082 297 D HN -0.044 nan 8.370 nan 0.000 0.480 298 V N 3.809 123.962 119.914 0.398 0.000 2.485 298 V HA -0.014 4.106 4.120 0.000 0.000 0.287 298 V C 1.081 177.207 176.094 0.053 0.000 1.022 298 V CA -0.232 62.190 62.300 0.204 0.000 1.067 298 V CB 0.105 31.994 31.823 0.110 0.000 0.967 298 V HN 0.343 nan 8.190 nan 0.000 0.479 299 L N 8.325 129.472 121.223 -0.126 0.000 2.467 299 L HA 0.273 4.613 4.340 0.000 0.000 0.270 299 L C -1.577 175.077 176.870 -0.359 0.000 1.205 299 L CA -1.270 53.324 54.840 -0.409 0.000 0.828 299 L CB 0.507 42.426 42.059 -0.233 0.000 1.101 299 L HN 0.482 nan 8.230 nan 0.000 0.479 300 P HA 0.070 nan 4.420 nan 0.000 0.274 300 P C -0.979 176.284 177.300 -0.060 0.000 1.246 300 P CA -0.614 62.296 63.100 -0.315 0.000 0.795 300 P CB 1.020 32.399 31.700 -0.535 0.000 1.006 301 L N 1.970 123.246 121.223 0.089 0.000 2.278 301 L HA 0.189 4.529 4.340 0.000 0.000 0.287 301 L C -0.196 176.793 176.870 0.199 0.000 1.072 301 L CA -0.238 54.711 54.840 0.183 0.000 0.819 301 L CB 0.586 42.819 42.059 0.289 0.000 1.176 301 L HN 0.077 nan 8.230 nan 0.000 0.435 302 V N 6.302 126.333 119.914 0.196 0.000 2.318 302 V HA 0.424 4.544 4.120 0.000 0.000 0.271 302 V C -0.154 175.961 176.094 0.036 0.000 1.030 302 V CA -0.681 61.666 62.300 0.078 0.000 0.844 302 V CB 1.184 33.062 31.823 0.092 0.000 1.015 302 V HN 0.374 nan 8.190 nan 0.000 0.460 303 L N 5.396 126.617 121.223 -0.003 0.000 2.346 303 L HA 0.652 4.992 4.340 0.000 0.000 0.274 303 L C -0.200 176.542 176.870 -0.214 0.000 1.007 303 L CA -0.571 54.234 54.840 -0.057 0.000 0.818 303 L CB 1.836 43.903 42.059 0.013 0.000 1.284 303 L HN 0.876 nan 8.230 nan 0.000 0.424 304 Q N 1.367 121.027 119.800 -0.233 0.000 2.309 304 Q HA 0.828 5.168 4.340 0.000 0.000 0.270 304 Q C -1.333 174.467 176.000 -0.334 0.000 1.023 304 Q CA -0.634 54.989 55.803 -0.300 0.000 0.758 304 Q CB 2.177 30.740 28.738 -0.292 0.000 1.247 304 Q HN 0.688 nan 8.270 nan 0.000 0.455 305 A N 2.913 125.476 122.820 -0.428 0.000 2.312 305 A HA 0.618 4.938 4.320 0.000 0.000 0.328 305 A C 0.064 177.100 177.584 -0.912 0.000 1.158 305 A CA 0.358 51.859 52.037 -0.894 0.000 0.821 305 A CB 0.851 19.577 19.000 -0.456 0.000 1.170 305 A HN 1.064 nan 8.150 nan 0.000 0.490 306 D N 0.586 120.080 120.400 -1.510 0.000 4.543 306 D HA -0.242 4.398 4.640 0.000 0.000 0.195 306 D C 1.097 177.188 176.300 -0.348 0.000 0.625 306 D CA 3.879 57.560 54.000 -0.531 0.000 1.383 306 D CB -1.346 39.337 40.800 -0.194 0.000 0.867 306 D HN 1.275 nan 8.370 nan 0.000 0.458 307 G N -1.046 107.557 108.800 -0.327 0.000 3.941 307 G HA2 0.272 4.232 3.960 0.000 0.000 0.222 307 G HA3 0.272 4.232 3.960 0.000 0.000 0.222 307 G C -0.224 174.565 174.900 -0.184 0.000 1.118 307 G CA 0.161 45.096 45.100 -0.274 0.000 0.880 307 G HN 0.331 nan 8.290 nan 0.000 0.546 308 Q N 1.655 121.331 119.800 -0.206 0.000 2.492 308 Q HA 0.290 4.630 4.340 0.000 0.000 0.238 308 Q C -0.168 175.694 176.000 -0.229 0.000 1.045 308 Q CA 0.128 55.834 55.803 -0.162 0.000 0.934 308 Q CB 0.676 29.329 28.738 -0.143 0.000 1.276 308 Q HN 0.214 nan 8.270 nan 0.000 0.521 309 D N 2.681 122.945 120.400 -0.227 0.000 2.449 309 D HA 0.035 4.676 4.640 0.000 0.000 0.236 309 D C -2.075 173.913 176.300 -0.520 0.000 1.149 309 D CA -0.766 52.935 54.000 -0.499 0.000 0.878 309 D CB -0.089 40.539 40.800 -0.287 0.000 1.198 309 D HN 0.325 nan 8.370 nan 0.000 0.446 310 P HA 0.041 nan 4.420 nan 0.000 0.267 310 P C -0.578 176.487 177.300 -0.390 0.000 1.200 310 P CA 0.109 62.766 63.100 -0.739 0.000 0.772 310 P CB 0.950 31.784 31.700 -1.442 0.000 0.855 311 E N 0.614 120.656 120.200 -0.263 0.000 2.199 311 E HA 0.349 4.699 4.350 0.000 0.000 0.269 311 E C -0.681 175.709 176.600 -0.349 0.000 0.899 311 E CA -1.167 55.060 56.400 -0.288 0.000 0.772 311 E CB 1.914 31.456 29.700 -0.262 0.000 1.155 311 E HN 0.165 nan 8.360 nan 0.000 0.408 312 V N 3.959 123.605 119.914 -0.446 0.000 2.461 312 V HA 0.267 4.387 4.120 0.000 0.000 0.275 312 V C -0.604 175.130 176.094 -0.600 0.000 1.047 312 V CA -0.016 62.082 62.300 -0.338 0.000 0.955 312 V CB -0.149 31.559 31.823 -0.190 0.000 0.988 312 V HN 0.508 nan 8.190 nan 0.000 0.471 313 F N 2.229 122.056 119.950 -0.204 0.000 2.539 313 F HA 0.435 4.962 4.527 0.000 0.000 0.318 313 F C 0.431 176.147 175.800 -0.141 0.000 1.135 313 F CA -0.753 57.020 58.000 -0.377 0.000 0.915 313 F CB 1.602 40.089 39.000 -0.854 0.000 1.176 313 F HN 0.384 nan 8.300 nan 0.000 0.440 314 E N 3.808 124.069 120.200 0.102 0.000 2.316 314 E HA 0.269 4.619 4.350 0.000 0.000 0.275 314 E C -0.142 176.648 176.600 0.318 0.000 1.029 314 E CA -0.239 56.288 56.400 0.212 0.000 0.871 314 E CB 1.672 31.510 29.700 0.230 0.000 1.022 314 E HN 0.535 nan 8.360 nan 0.000 0.418 315 I N 5.075 125.813 120.570 0.281 0.000 2.452 315 I HA 0.048 4.218 4.170 0.000 0.000 0.287 315 I C -1.972 174.270 176.117 0.209 0.000 1.079 315 I CA -1.782 59.681 61.300 0.273 0.000 1.387 315 I CB 0.222 38.300 38.000 0.131 0.000 1.404 315 I HN 0.088 nan 8.210 nan 0.000 0.522 316 P HA 0.003 nan 4.420 nan 0.000 0.257 316 P C -1.984 175.373 177.300 0.096 0.000 1.189 316 P CA -0.669 62.517 63.100 0.143 0.000 0.780 316 P CB 0.093 31.856 31.700 0.105 0.000 0.772 317 P HA -0.214 nan 4.420 nan 0.000 0.217 317 P C 0.784 178.122 177.300 0.063 0.000 1.148 317 P CA 1.434 64.586 63.100 0.087 0.000 0.834 317 P CB -0.020 31.736 31.700 0.093 0.000 0.783 318 D N -1.363 119.069 120.400 0.053 0.000 2.378 318 D HA -0.037 4.603 4.640 0.000 0.000 0.222 318 D C 1.564 177.880 176.300 0.027 0.000 0.980 318 D CA 0.792 54.814 54.000 0.037 0.000 0.907 318 D CB -0.079 40.740 40.800 0.031 0.000 0.899 318 D HN 0.290 nan 8.370 nan 0.000 0.527 319 L N 0.139 121.379 121.223 0.028 0.000 2.585 319 L HA 0.104 4.444 4.340 0.000 0.000 0.226 319 L C 0.339 177.221 176.870 0.021 0.000 1.113 319 L CA 0.094 54.943 54.840 0.014 0.000 0.876 319 L CB 0.857 42.913 42.059 -0.006 0.000 1.072 319 L HN -0.244 nan 8.230 nan 0.000 0.468 320 V N 2.053 121.987 119.914 0.034 0.000 2.318 320 V HA 0.196 4.316 4.120 0.000 0.000 0.271 320 V C -0.072 176.052 176.094 0.051 0.000 1.030 320 V CA -0.517 61.807 62.300 0.040 0.000 0.844 320 V CB 1.608 33.458 31.823 0.044 0.000 1.015 320 V HN 0.023 nan 8.190 nan 0.000 0.460 321 L N 5.898 127.153 121.223 0.052 0.000 2.326 321 L HA 0.550 4.891 4.340 0.000 0.000 0.278 321 L C 0.064 176.960 176.870 0.043 0.000 1.092 321 L CA 0.645 55.505 54.840 0.034 0.000 0.810 321 L CB 0.773 42.844 42.059 0.021 0.000 1.153 321 L HN 0.690 nan 8.230 nan 0.000 0.439 322 E N 3.036 123.238 120.200 0.003 0.000 2.369 322 E HA 0.623 4.973 4.350 0.000 0.000 0.270 322 E C -1.563 174.970 176.600 -0.113 0.000 0.909 322 E CA -1.014 55.381 56.400 -0.008 0.000 0.775 322 E CB 2.527 32.253 29.700 0.043 0.000 1.270 322 E HN 0.362 nan 8.360 nan 0.000 0.445 323 V N 1.554 121.371 119.914 -0.161 0.000 2.444 323 V HA 0.279 4.399 4.120 0.000 0.000 0.294 323 V C -0.204 175.840 176.094 -0.083 0.000 1.022 323 V CA -0.851 61.305 62.300 -0.240 0.000 0.850 323 V CB 1.607 33.054 31.823 -0.626 0.000 0.992 323 V HN 0.837 nan 8.190 nan 0.000 0.426 324 T N 3.581 118.100 114.554 -0.058 0.000 2.780 324 T HA 0.503 4.854 4.350 0.000 0.000 0.294 324 T C -0.083 174.654 174.700 0.062 0.000 0.949 324 T CA -0.763 61.335 62.100 -0.003 0.000 1.074 324 T CB 0.704 69.570 68.868 -0.003 0.000 0.910 324 T HN 0.310 nan 8.240 nan 0.000 0.501 325 M N 4.193 123.877 119.600 0.140 0.000 2.184 325 M HA 0.308 4.788 4.480 0.000 0.000 0.351 325 M C 0.429 176.930 176.300 0.335 0.000 1.395 325 M CA -0.045 55.420 55.300 0.275 0.000 1.117 325 M CB -0.347 32.510 32.600 0.429 0.000 1.708 325 M HN 0.931 nan 8.290 nan 0.000 0.468 326 E N 1.733 122.115 120.200 0.304 0.000 2.366 326 E HA 0.414 4.764 4.350 0.000 0.000 0.278 326 E C -1.316 175.390 176.600 0.178 0.000 0.923 326 E CA -0.880 55.709 56.400 0.314 0.000 0.761 326 E CB 2.087 31.902 29.700 0.192 0.000 1.231 326 E HN 0.634 nan 8.360 nan 0.000 0.443 327 H N 2.814 121.853 119.070 -0.052 0.000 2.467 327 H HA 0.204 4.760 4.556 0.000 0.000 0.331 327 H C -1.647 173.457 175.328 -0.373 0.000 1.120 327 H CA -2.126 53.704 56.048 -0.363 0.000 1.270 327 H CB 1.910 31.338 29.762 -0.556 0.000 1.466 327 H HN 0.456 nan 8.280 nan 0.000 0.504 328 P HA -0.088 nan 4.420 nan 0.000 0.223 328 P C 0.857 177.906 177.300 -0.418 0.000 1.151 328 P CA 1.232 63.781 63.100 -0.919 0.000 0.787 328 P CB 0.719 31.701 31.700 -1.197 0.000 0.788 329 K N -1.772 118.501 120.400 -0.211 0.000 2.443 329 K HA 0.066 4.386 4.320 0.000 0.000 0.200 329 K C -0.014 176.534 176.600 -0.086 0.000 1.278 329 K CA -0.051 56.137 56.287 -0.164 0.000 0.925 329 K CB 0.506 32.827 32.500 -0.298 0.000 1.225 329 K HN -0.150 nan 8.250 nan 0.000 0.514 330 Y N 3.006 123.276 120.300 -0.050 0.000 2.477 330 Y HA 0.207 4.757 4.550 0.000 0.000 0.349 330 Y C 0.710 176.351 175.900 -0.431 0.000 0.977 330 Y CA -0.674 57.134 58.100 -0.487 0.000 1.214 330 Y CB 0.943 38.633 38.460 -1.283 0.000 1.124 330 Y HN 0.138 nan 8.280 nan 0.000 0.521 331 E N 3.160 123.342 120.200 -0.031 0.000 2.204 331 E HA -0.182 4.168 4.350 0.000 0.000 0.194 331 E C 1.463 178.106 176.600 0.071 0.000 0.989 331 E CA 1.244 57.669 56.400 0.042 0.000 0.824 331 E CB -0.109 29.654 29.700 0.106 0.000 0.756 331 E HN 0.891 nan 8.360 nan 0.000 0.477 332 W N 0.136 121.539 121.300 0.173 0.000 2.525 332 W HA -0.071 4.589 4.660 0.000 0.000 0.259 332 W C 1.429 178.014 176.519 0.109 0.000 1.253 332 W CA -0.107 57.298 57.345 0.100 0.000 1.262 332 W CB -0.832 28.651 29.460 0.039 0.000 1.122 332 W HN -0.044 nan 8.180 nan 0.000 0.607 333 F N 2.604 122.264 119.950 -0.484 0.000 2.134 333 F HA -0.229 4.298 4.527 0.000 0.000 0.299 333 F C 2.960 178.755 175.800 -0.008 0.000 1.097 333 F CA 2.694 60.487 58.000 -0.346 0.000 1.264 333 F CB -0.644 38.105 39.000 -0.418 0.000 1.001 333 F HN -0.087 nan 8.300 nan 0.000 0.479 334 Q N 0.111 119.990 119.800 0.132 0.000 2.226 334 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 334 Q C 1.931 177.966 176.000 0.058 0.000 0.975 334 Q CA 1.664 57.533 55.803 0.111 0.000 0.866 334 Q CB -0.140 28.668 28.738 0.117 0.000 0.915 334 Q HN 0.552 nan 8.270 nan 0.000 0.440 335 E N -0.173 120.078 120.200 0.085 0.000 2.150 335 E HA -0.176 4.174 4.350 0.000 0.000 0.193 335 E C 1.695 178.316 176.600 0.035 0.000 0.985 335 E CA 0.585 57.037 56.400 0.086 0.000 0.814 335 E CB 0.084 29.873 29.700 0.148 0.000 0.752 335 E HN 0.258 nan 8.360 nan 0.000 0.466 336 L N -0.075 121.124 121.223 -0.039 0.000 2.351 336 L HA -0.095 4.245 4.340 0.000 0.000 0.220 336 L C 1.587 178.429 176.870 -0.045 0.000 1.127 336 L CA 1.695 56.469 54.840 -0.109 0.000 0.786 336 L CB -0.993 40.844 42.059 -0.370 0.000 0.914 336 L HN 0.286 nan 8.230 nan 0.000 0.443 337 G N -0.677 108.118 108.800 -0.009 0.000 2.221 337 G HA2 -0.286 3.674 3.960 0.000 0.000 0.265 337 G HA3 -0.286 3.674 3.960 0.000 0.000 0.265 337 G C 0.226 175.207 174.900 0.135 0.000 1.041 337 G CA 0.375 45.518 45.100 0.072 0.000 0.807 337 G HN 0.319 nan 8.290 nan 0.000 0.502 338 L N -0.841 120.396 121.223 0.022 0.000 2.399 338 L HA 0.845 5.185 4.340 0.000 0.000 0.265 338 L C 0.646 177.450 176.870 -0.110 0.000 1.089 338 L CA -0.525 54.310 54.840 -0.008 0.000 0.802 338 L CB 1.636 43.569 42.059 -0.209 0.000 1.180 338 L HN 0.525 nan 8.230 nan 0.000 0.454 339 K N -0.161 120.040 120.400 -0.332 0.000 2.617 339 K HA 0.481 4.801 4.320 0.000 0.000 0.293 339 K C -2.076 174.526 176.600 0.005 0.000 1.034 339 K CA -1.070 55.105 56.287 -0.186 0.000 0.884 339 K CB 1.993 34.287 32.500 -0.344 0.000 1.541 339 K HN 0.595 nan 8.250 nan 0.000 0.409 340 W N 1.571 122.818 121.300 -0.089 0.000 3.137 340 W HA 0.350 5.010 4.660 0.000 0.000 0.324 340 W C -1.318 175.229 176.519 0.048 0.000 1.253 340 W CA -0.812 56.538 57.345 0.007 0.000 1.183 340 W CB 1.578 30.916 29.460 -0.204 0.000 1.424 340 W HN 0.687 nan 8.180 nan 0.000 0.566 341 Y N 0.919 121.059 120.300 -0.266 0.000 2.336 341 Y HA 0.533 5.083 4.550 0.000 0.000 0.331 341 Y C 0.750 176.803 175.900 0.255 0.000 1.211 341 Y CA 0.016 58.065 58.100 -0.084 0.000 1.346 341 Y CB 0.253 38.535 38.460 -0.296 0.000 1.271 341 Y HN 0.338 nan 8.280 nan 0.000 0.538 342 A N 2.467 125.480 122.820 0.322 0.000 2.169 342 A HA 0.159 4.479 4.320 0.000 0.000 0.212 342 A C 0.200 178.099 177.584 0.525 0.000 1.153 342 A CA 0.140 52.426 52.037 0.415 0.000 0.756 342 A CB -0.237 18.853 19.000 0.150 0.000 0.813 342 A HN 0.653 nan 8.150 nan 0.000 0.471 343 L N 1.717 123.213 121.223 0.455 0.000 2.280 343 L HA 0.458 4.798 4.340 0.000 0.000 0.287 343 L C -2.625 174.372 176.870 0.212 0.000 1.023 343 L CA -2.109 52.901 54.840 0.283 0.000 0.819 343 L CB 1.933 44.094 42.059 0.171 0.000 1.212 343 L HN -0.059 nan 8.230 nan 0.000 0.420 344 P HA 0.442 nan 4.420 nan 0.000 0.298 344 P C -1.608 175.577 177.300 -0.191 0.000 1.365 344 P CA -0.384 62.528 63.100 -0.313 0.000 0.835 344 P CB 1.529 32.664 31.700 -0.941 0.000 0.948 345 A N 4.109 126.834 122.820 -0.159 0.000 2.375 345 A HA 0.487 4.807 4.320 0.000 0.000 0.295 345 A C -0.486 176.887 177.584 -0.352 0.000 1.066 345 A CA -0.662 51.224 52.037 -0.253 0.000 0.722 345 A CB 1.339 20.198 19.000 -0.235 0.000 1.206 345 A HN 0.273 nan 8.150 nan 0.000 0.435 346 V N 2.020 121.577 119.914 -0.595 0.000 2.555 346 V HA 0.417 4.537 4.120 0.000 0.000 0.286 346 V C 1.204 176.912 176.094 -0.645 0.000 1.044 346 V CA 0.904 62.789 62.300 -0.691 0.000 1.026 346 V CB 1.102 32.238 31.823 -1.145 0.000 0.981 346 V HN 1.191 nan 8.190 nan 0.000 0.480 347 A N 3.835 126.431 122.820 -0.372 0.000 2.358 347 A HA 0.143 4.463 4.320 0.000 0.000 0.223 347 A C 1.230 178.734 177.584 -0.132 0.000 1.218 347 A CA 0.373 52.268 52.037 -0.237 0.000 0.942 347 A CB -0.112 18.793 19.000 -0.158 0.000 1.005 347 A HN 0.927 nan 8.150 nan 0.000 0.514 348 N N -1.245 117.377 118.700 -0.131 0.000 2.234 348 N HA 0.313 5.053 4.740 0.000 0.000 0.227 348 N C 0.097 175.616 175.510 0.014 0.000 1.151 348 N CA -0.242 52.784 53.050 -0.039 0.000 0.865 348 N CB 0.209 38.676 38.487 -0.034 0.000 1.066 348 N HN 0.286 nan 8.380 nan 0.000 0.515 349 M N 1.121 120.724 119.600 0.004 0.000 2.494 349 M HA 0.384 4.864 4.480 0.000 0.000 0.300 349 M C -0.695 175.732 176.300 0.212 0.000 1.189 349 M CA -0.891 54.479 55.300 0.117 0.000 0.982 349 M CB 2.268 34.943 32.600 0.124 0.000 1.534 349 M HN 0.114 nan 8.290 nan 0.000 0.488 350 L N 2.138 123.518 121.223 0.262 0.000 2.322 350 L HA 0.555 4.895 4.340 0.000 0.000 0.281 350 L C -1.465 175.617 176.870 0.353 0.000 1.014 350 L CA -1.011 54.002 54.840 0.288 0.000 0.815 350 L CB 1.433 43.621 42.059 0.216 0.000 1.247 350 L HN 0.569 nan 8.230 nan 0.000 0.421 351 L N 4.950 126.383 121.223 0.350 0.000 2.275 351 L HA 0.465 4.805 4.340 0.000 0.000 0.288 351 L C -0.444 176.565 176.870 0.233 0.000 1.046 351 L CA 0.344 55.308 54.840 0.206 0.000 0.805 351 L CB 1.114 43.266 42.059 0.155 0.000 1.193 351 L HN 0.634 nan 8.230 nan 0.000 0.426 352 E N 4.727 125.014 120.200 0.144 0.000 2.171 352 E HA 0.537 4.887 4.350 0.000 0.000 0.271 352 E C -1.899 174.702 176.600 0.002 0.000 0.916 352 E CA -0.453 56.028 56.400 0.134 0.000 0.774 352 E CB 1.970 31.832 29.700 0.270 0.000 1.128 352 E HN 0.539 nan 8.360 nan 0.000 0.403 353 V N 3.146 123.029 119.914 -0.052 0.000 2.789 353 V HA 0.446 4.566 4.120 0.000 0.000 0.300 353 V C 0.293 176.241 176.094 -0.244 0.000 1.184 353 V CA 0.457 62.599 62.300 -0.264 0.000 0.930 353 V CB 1.355 32.925 31.823 -0.423 0.000 1.041 353 V HN 0.880 nan 8.190 nan 0.000 0.430 354 G N 4.365 113.055 108.800 -0.185 0.000 2.416 354 G HA2 0.063 4.023 3.960 0.000 0.000 0.301 354 G HA3 0.063 4.023 3.960 0.000 0.000 0.301 354 G C 1.614 176.672 174.900 0.263 0.000 0.985 354 G CA 1.569 46.767 45.100 0.163 0.000 0.934 354 G HN 2.738 nan 8.290 nan 0.000 0.513 355 G N -2.058 106.819 108.800 0.129 0.000 2.241 355 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 355 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 355 G C 0.523 175.479 174.900 0.093 0.000 0.998 355 G CA 0.407 45.625 45.100 0.197 0.000 0.621 355 G HN 1.238 nan 8.290 nan 0.000 0.519 356 L N 0.816 122.049 121.223 0.018 0.000 2.395 356 L HA 0.623 4.964 4.340 0.000 0.000 0.269 356 L C 0.345 177.087 176.870 -0.214 0.000 1.133 356 L CA -0.338 54.400 54.840 -0.170 0.000 0.812 356 L CB 1.058 42.937 42.059 -0.300 0.000 1.125 356 L HN 0.185 nan 8.230 nan 0.000 0.452 357 E N 2.205 122.188 120.200 -0.361 0.000 2.224 357 E HA 0.408 4.758 4.350 0.000 0.000 0.265 357 E C -1.581 174.767 176.600 -0.421 0.000 0.878 357 E CA -0.459 55.800 56.400 -0.235 0.000 0.759 357 E CB 2.004 31.633 29.700 -0.118 0.000 1.164 357 E HN 0.269 nan 8.360 nan 0.000 0.414 358 F N 3.865 123.839 119.950 0.040 0.000 2.359 358 F HA 0.262 4.789 4.527 0.000 0.000 0.369 358 F C -1.492 174.380 175.800 0.120 0.000 1.084 358 F CA -2.035 56.009 58.000 0.074 0.000 1.096 358 F CB 1.339 40.376 39.000 0.062 0.000 1.335 358 F HN 0.345 nan 8.300 nan 0.000 0.457 359 P HA -0.063 nan 4.420 nan 0.000 0.226 359 P C 0.106 177.540 177.300 0.225 0.000 1.153 359 P CA 0.679 63.894 63.100 0.191 0.000 0.777 359 P CB 0.492 32.273 31.700 0.135 0.000 0.794 360 A N 0.381 123.383 122.820 0.303 0.000 2.323 360 A HA 0.525 4.846 4.320 0.000 0.000 0.305 360 A C -0.000 177.835 177.584 0.419 0.000 1.275 360 A CA -0.426 51.801 52.037 0.316 0.000 0.804 360 A CB 0.124 19.299 19.000 0.292 0.000 1.152 360 A HN 0.319 nan 8.150 nan 0.000 0.487 361 C N 1.069 120.561 119.300 0.320 0.000 3.253 361 C HA 0.472 4.932 4.460 0.000 0.000 0.230 361 C C -2.873 172.234 174.990 0.194 0.000 1.124 361 C CA -1.635 57.551 59.018 0.281 0.000 1.143 361 C CB -0.168 27.739 27.740 0.279 0.000 1.794 361 C HN 0.580 nan 8.230 nan 0.000 0.617 362 P HA 0.363 nan 4.420 nan 0.000 0.266 362 P C -0.607 176.650 177.300 -0.072 0.000 1.195 362 P CA 0.924 63.929 63.100 -0.158 0.000 0.768 362 P CB 0.573 32.179 31.700 -0.155 0.000 0.838 363 F N 0.181 120.022 119.950 -0.182 0.000 2.643 363 F HA 0.694 5.221 4.527 0.000 0.000 0.314 363 F C -0.729 174.935 175.800 -0.227 0.000 1.096 363 F CA -1.158 56.738 58.000 -0.173 0.000 0.953 363 F CB 1.692 40.465 39.000 -0.379 0.000 1.345 363 F HN 0.381 nan 8.300 nan 0.000 0.468 364 N N -0.225 118.526 118.700 0.086 0.000 2.591 364 N HA 0.703 5.443 4.740 0.000 0.000 0.263 364 N C -1.330 174.083 175.510 -0.161 0.000 1.308 364 N CA -0.390 52.632 53.050 -0.047 0.000 0.837 364 N CB 1.937 40.438 38.487 0.024 0.000 1.548 364 N HN 1.092 nan 8.380 nan 0.000 0.493 365 G N -0.749 107.914 108.800 -0.229 0.000 3.259 365 G HA2 0.689 4.649 3.960 0.000 0.000 0.178 365 G HA3 0.689 4.649 3.960 0.000 0.000 0.178 365 G C -1.726 173.089 174.900 -0.142 0.000 1.129 365 G CA -0.706 44.174 45.100 -0.366 0.000 0.816 365 G HN 0.695 nan 8.290 nan 0.000 0.634 366 W N -1.658 119.619 121.300 -0.038 0.000 2.902 366 W HA 0.822 5.482 4.660 0.000 0.000 0.346 366 W C -1.328 175.159 176.519 -0.053 0.000 1.139 366 W CA -2.188 55.151 57.345 -0.010 0.000 1.139 366 W CB 0.313 29.811 29.460 0.062 0.000 1.439 366 W HN 0.414 nan 8.180 nan 0.000 0.558 367 Y N 2.053 122.525 120.300 0.286 0.000 2.357 367 Y HA 0.285 4.836 4.550 0.000 0.000 0.340 367 Y C 0.664 176.596 175.900 0.053 0.000 1.260 367 Y CA -0.500 57.636 58.100 0.060 0.000 1.425 367 Y CB 0.999 39.379 38.460 -0.134 0.000 1.326 367 Y HN 0.423 nan 8.280 nan 0.000 0.580 368 M N 1.747 121.468 119.600 0.202 0.000 2.190 368 M HA 0.358 4.838 4.480 0.000 0.000 0.312 368 M C 0.985 177.240 176.300 -0.075 0.000 0.990 368 M CA -0.250 55.092 55.300 0.069 0.000 0.927 368 M CB 1.424 34.053 32.600 0.048 0.000 1.571 368 M HN 0.833 nan 8.290 nan 0.000 0.427 369 G N 1.942 110.651 108.800 -0.152 0.000 2.679 369 G HA2 -0.385 3.575 3.960 0.000 0.000 0.222 369 G HA3 -0.385 3.575 3.960 0.000 0.000 0.222 369 G C 1.113 175.816 174.900 -0.328 0.000 1.164 369 G CA 2.196 47.135 45.100 -0.269 0.000 0.769 369 G HN 0.878 nan 8.290 nan 0.000 0.610 370 T N -1.087 113.277 114.554 -0.316 0.000 2.929 370 T HA -0.022 4.328 4.350 0.000 0.000 0.271 370 T C 1.928 176.426 174.700 -0.337 0.000 1.085 370 T CA 1.711 63.584 62.100 -0.379 0.000 1.125 370 T CB -0.267 68.307 68.868 -0.490 0.000 0.874 370 T HN 0.577 nan 8.240 nan 0.000 0.494 371 E N 0.893 120.920 120.200 -0.287 0.000 2.051 371 E HA -0.047 4.303 4.350 0.000 0.000 0.192 371 E C 2.107 178.420 176.600 -0.480 0.000 0.991 371 E CA 1.471 57.722 56.400 -0.249 0.000 0.799 371 E CB -0.256 29.443 29.700 -0.001 0.000 0.748 371 E HN 0.588 nan 8.360 nan 0.000 0.449 372 I N 0.338 120.457 120.570 -0.751 0.000 2.260 372 I HA -0.072 4.098 4.170 0.000 0.000 0.237 372 I C 2.653 178.154 176.117 -1.026 0.000 1.075 372 I CA 0.933 61.480 61.300 -1.256 0.000 1.376 372 I CB -0.719 36.413 38.000 -1.448 0.000 1.107 372 I HN 0.125 nan 8.210 nan 0.000 0.420 373 G N 0.718 109.141 108.800 -0.628 0.000 2.440 373 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 373 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 373 G C 1.602 176.414 174.900 -0.148 0.000 1.154 373 G CA 1.273 46.215 45.100 -0.263 0.000 0.767 373 G HN 0.245 nan 8.290 nan 0.000 0.552 374 V N 0.024 119.797 119.914 -0.235 0.000 2.403 374 V HA 0.079 4.199 4.120 0.000 0.000 0.239 374 V C 2.802 178.814 176.094 -0.136 0.000 1.041 374 V CA 1.002 63.205 62.300 -0.162 0.000 1.051 374 V CB -0.278 31.418 31.823 -0.213 0.000 0.704 374 V HN 0.115 nan 8.190 nan 0.000 0.472 375 R N 0.769 121.149 120.500 -0.200 0.000 2.051 375 R HA -0.037 4.303 4.340 0.000 0.000 0.225 375 R C 2.001 178.237 176.300 -0.106 0.000 1.155 375 R CA 1.544 57.557 56.100 -0.145 0.000 0.945 375 R CB -1.216 28.983 30.300 -0.168 0.000 0.840 375 R HN 0.465 nan 8.270 nan 0.000 0.432 376 D N 0.476 120.712 120.400 -0.273 0.000 2.104 376 D HA -0.146 4.494 4.640 0.000 0.000 0.194 376 D C 1.888 178.206 176.300 0.029 0.000 0.994 376 D CA 1.190 55.020 54.000 -0.283 0.000 0.830 376 D CB -0.213 39.916 40.800 -1.118 0.000 0.959 376 D HN 0.094 nan 8.370 nan 0.000 0.452 377 F N 0.180 120.036 119.950 -0.157 0.000 2.270 377 F HA 0.026 4.553 4.527 0.000 0.000 0.295 377 F C 2.383 178.242 175.800 0.098 0.000 1.087 377 F CA -0.154 57.857 58.000 0.018 0.000 1.365 377 F CB -0.629 38.359 39.000 -0.020 0.000 1.056 377 F HN 0.038 nan 8.300 nan 0.000 0.506 378 C N -1.313 118.125 119.300 0.229 0.000 2.912 378 C HA 0.192 4.652 4.460 0.000 0.000 0.274 378 C C 0.456 175.513 174.990 0.111 0.000 1.248 378 C CA -0.741 58.370 59.018 0.156 0.000 1.694 378 C CB -0.645 27.153 27.740 0.097 0.000 2.024 378 C HN 0.077 nan 8.230 nan 0.000 0.605 379 D N 1.882 122.341 120.400 0.099 0.000 2.488 379 D HA 0.062 4.702 4.640 0.000 0.000 0.238 379 D C 1.563 177.930 176.300 0.112 0.000 1.138 379 D CA 0.547 54.598 54.000 0.085 0.000 0.873 379 D CB 1.002 41.853 40.800 0.085 0.000 1.183 379 D HN 0.421 nan 8.370 nan 0.000 0.458 380 T N -0.420 114.189 114.554 0.093 0.000 2.867 380 T HA -0.232 4.119 4.350 0.000 0.000 0.268 380 T C 1.329 176.086 174.700 0.094 0.000 1.057 380 T CA 0.733 62.889 62.100 0.094 0.000 1.136 380 T CB -0.031 68.884 68.868 0.079 0.000 0.874 380 T HN 0.459 nan 8.240 nan 0.000 0.466 381 Q N 1.092 120.952 119.800 0.100 0.000 2.282 381 Q HA 0.203 4.543 4.340 0.000 0.000 0.205 381 Q C 0.569 176.635 176.000 0.110 0.000 0.915 381 Q CA -0.115 55.747 55.803 0.097 0.000 0.949 381 Q CB 0.081 28.884 28.738 0.108 0.000 1.035 381 Q HN 0.372 nan 8.270 nan 0.000 0.484 382 R N -0.594 119.986 120.500 0.132 0.000 3.096 382 R HA 0.261 4.601 4.340 0.000 0.000 0.138 382 R C 1.054 177.439 176.300 0.141 0.000 1.088 382 R CA -0.509 55.701 56.100 0.184 0.000 0.652 382 R CB -1.029 29.446 30.300 0.291 0.000 1.179 382 R HN 0.062 nan 8.270 nan 0.000 0.404 383 Y N 1.759 122.220 120.300 0.267 0.000 2.616 383 Y HA -0.058 4.492 4.550 0.000 0.000 0.296 383 Y C 0.722 176.732 175.900 0.183 0.000 1.154 383 Y CA 0.731 58.992 58.100 0.268 0.000 1.325 383 Y CB -0.567 38.153 38.460 0.432 0.000 1.007 383 Y HN 0.510 nan 8.280 nan 0.000 0.542 384 N N 1.263 120.123 118.700 0.267 0.000 2.702 384 N HA -0.247 4.494 4.740 0.000 0.000 0.261 384 N C 0.473 176.088 175.510 0.175 0.000 0.965 384 N CA 0.815 53.978 53.050 0.188 0.000 0.795 384 N CB -1.225 37.341 38.487 0.130 0.000 0.909 384 N HN 0.672 nan 8.380 nan 0.000 0.546 385 I N -3.174 117.512 120.570 0.192 0.000 3.735 385 I HA 0.055 4.225 4.170 0.000 0.000 0.310 385 I C 1.567 177.781 176.117 0.162 0.000 1.270 385 I CA -0.340 61.043 61.300 0.137 0.000 1.207 385 I CB -0.167 37.867 38.000 0.057 0.000 1.013 385 I HN 0.231 nan 8.210 nan 0.000 0.452 386 L N 1.490 122.828 121.223 0.191 0.000 1.970 386 L HA -0.230 4.111 4.340 0.000 0.000 0.212 386 L C 2.738 179.831 176.870 0.372 0.000 1.071 386 L CA 2.398 57.386 54.840 0.247 0.000 0.751 386 L CB -0.344 41.823 42.059 0.180 0.000 0.889 386 L HN 0.499 nan 8.230 nan 0.000 0.432 387 E N -0.169 120.238 120.200 0.344 0.000 2.110 387 E HA -0.317 4.033 4.350 0.000 0.000 0.193 387 E C 1.931 178.547 176.600 0.026 0.000 0.988 387 E CA 1.510 58.034 56.400 0.206 0.000 0.804 387 E CB 0.049 29.808 29.700 0.098 0.000 0.745 387 E HN 0.377 nan 8.360 nan 0.000 0.458 388 E N 0.366 120.594 120.200 0.046 0.000 2.038 388 E HA -0.181 4.169 4.350 0.000 0.000 0.195 388 E C 2.006 178.588 176.600 -0.029 0.000 1.000 388 E CA 1.906 58.295 56.400 -0.018 0.000 0.803 388 E CB -0.421 29.283 29.700 0.006 0.000 0.750 388 E HN 0.201 nan 8.360 nan 0.000 0.448 389 V N 0.388 120.361 119.914 0.098 0.000 2.407 389 V HA -0.164 3.956 4.120 0.000 0.000 0.248 389 V C 2.314 178.486 176.094 0.129 0.000 1.055 389 V CA 1.850 64.274 62.300 0.206 0.000 1.049 389 V CB -1.083 30.965 31.823 0.375 0.000 0.662 389 V HN 0.516 nan 8.190 nan 0.000 0.455 390 G N -0.399 108.500 108.800 0.164 0.000 2.422 390 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 390 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 390 G C 1.786 176.580 174.900 -0.176 0.000 1.146 390 G CA 0.571 45.741 45.100 0.116 0.000 0.769 390 G HN 0.421 nan 8.290 nan 0.000 0.547 391 R N -0.216 120.127 120.500 -0.262 0.000 2.062 391 R HA 0.072 4.412 4.340 0.000 0.000 0.229 391 R C 2.766 178.829 176.300 -0.394 0.000 1.128 391 R CA 0.590 56.497 56.100 -0.322 0.000 0.960 391 R CB -0.232 29.898 30.300 -0.284 0.000 0.855 391 R HN 0.166 nan 8.270 nan 0.000 0.432 392 R N 0.381 120.551 120.500 -0.550 0.000 2.159 392 R HA -0.085 4.255 4.340 0.000 0.000 0.237 392 R C 1.948 177.658 176.300 -0.984 0.000 1.131 392 R CA 1.171 56.635 56.100 -1.061 0.000 0.982 392 R CB -0.208 28.914 30.300 -1.963 0.000 0.868 392 R HN 0.329 nan 8.270 nan 0.000 0.453 393 M N -0.684 118.603 119.600 -0.522 0.000 2.558 393 M HA 0.092 4.572 4.480 0.000 0.000 0.255 393 M C 0.744 176.920 176.300 -0.207 0.000 1.113 393 M CA 0.720 55.852 55.300 -0.280 0.000 1.097 393 M CB 0.401 32.969 32.600 -0.054 0.000 1.426 393 M HN 0.358 nan 8.290 nan 0.000 0.488 394 G N 2.133 110.789 108.800 -0.241 0.000 2.198 394 G HA2 -0.229 3.731 3.960 0.000 0.000 0.257 394 G HA3 -0.229 3.731 3.960 0.000 0.000 0.257 394 G C -0.151 174.672 174.900 -0.129 0.000 1.042 394 G CA -0.140 44.852 45.100 -0.181 0.000 0.791 394 G HN 0.393 nan 8.290 nan 0.000 0.502 395 L N -0.928 120.211 121.223 -0.140 0.000 2.416 395 L HA 0.472 4.812 4.340 0.000 0.000 0.262 395 L C 0.947 177.686 176.870 -0.219 0.000 1.093 395 L CA -0.938 53.846 54.840 -0.094 0.000 0.801 395 L CB 0.679 42.760 42.059 0.037 0.000 1.191 395 L HN 0.155 nan 8.230 nan 0.000 0.459 396 E N 0.219 120.329 120.200 -0.151 0.000 1.999 396 E HA -0.000 4.350 4.350 0.000 0.000 0.296 396 E C 0.518 176.817 176.600 -0.501 0.000 1.187 396 E CA -0.136 56.146 56.400 -0.198 0.000 1.229 396 E CB -0.144 29.536 29.700 -0.033 0.000 1.131 396 E HN 0.532 nan 8.360 nan 0.000 0.478 397 T N 0.806 114.798 114.554 -0.937 0.000 2.969 397 T HA -0.167 4.183 4.350 0.000 0.000 0.271 397 T C 0.921 174.969 174.700 -1.087 0.000 1.127 397 T CA 1.045 62.153 62.100 -1.653 0.000 1.102 397 T CB -0.159 67.837 68.868 -1.454 0.000 0.855 397 T HN 0.503 nan 8.240 nan 0.000 0.536 398 H N -0.241 118.656 119.070 -0.288 0.000 2.740 398 H HA 0.192 4.748 4.556 0.000 0.000 0.265 398 H C 0.499 175.846 175.328 0.032 0.000 0.978 398 H CA 0.278 56.278 56.048 -0.080 0.000 1.198 398 H CB 0.486 30.200 29.762 -0.080 0.000 1.467 398 H HN 0.204 nan 8.280 nan 0.000 0.511 399 T N 3.194 117.823 114.554 0.125 0.000 2.910 399 T HA 0.075 4.425 4.350 0.000 0.000 0.323 399 T C 1.380 176.243 174.700 0.273 0.000 1.091 399 T CA -0.239 61.959 62.100 0.163 0.000 0.960 399 T CB 1.102 70.040 68.868 0.117 0.000 1.024 399 T HN 0.001 nan 8.240 nan 0.000 0.509 400 L N 3.574 124.956 121.223 0.265 0.000 2.043 400 L HA -0.057 4.283 4.340 0.000 0.000 0.212 400 L C 2.445 179.405 176.870 0.150 0.000 1.075 400 L CA 1.885 56.874 54.840 0.249 0.000 0.752 400 L CB -0.765 41.388 42.059 0.156 0.000 0.891 400 L HN 0.684 nan 8.230 nan 0.000 0.432 401 A N -1.441 121.452 122.820 0.122 0.000 2.178 401 A HA -0.146 4.174 4.320 0.000 0.000 0.218 401 A C 2.361 180.001 177.584 0.093 0.000 1.157 401 A CA 1.362 53.449 52.037 0.083 0.000 0.689 401 A CB -0.894 18.148 19.000 0.069 0.000 0.787 401 A HN 0.651 nan 8.150 nan 0.000 0.465 402 S N -0.561 115.228 115.700 0.149 0.000 2.515 402 S HA 0.084 4.554 4.470 0.000 0.000 0.231 402 S C 0.876 175.560 174.600 0.140 0.000 0.987 402 S CA 0.703 58.994 58.200 0.152 0.000 0.936 402 S CB -0.726 62.591 63.200 0.195 0.000 0.766 402 S HN 0.879 nan 8.310 nan 0.000 0.528 403 L N 0.271 121.552 121.223 0.096 0.000 3.898 403 L HA -0.164 4.176 4.340 0.000 0.000 0.407 403 L C 1.571 178.444 176.870 0.004 0.000 1.207 403 L CA 0.713 55.551 54.840 -0.005 0.000 0.931 403 L CB -2.647 39.419 42.059 0.011 0.000 2.014 403 L HN 0.749 nan 8.230 nan 0.000 0.858 404 W N 0.216 121.524 121.300 0.012 0.000 2.402 404 W HA -0.117 4.543 4.660 0.000 0.000 0.286 404 W C 1.693 178.225 176.519 0.021 0.000 1.221 404 W CA 1.263 58.614 57.345 0.009 0.000 1.257 404 W CB -0.693 28.757 29.460 -0.017 0.000 1.120 404 W HN 0.266 nan 8.180 nan 0.000 0.551 405 K N 1.123 120.922 120.400 -1.002 0.000 2.057 405 K HA -0.172 4.148 4.320 0.000 0.000 0.207 405 K C 1.484 177.895 176.600 -0.315 0.000 1.049 405 K CA 2.371 58.110 56.287 -0.914 0.000 0.931 405 K CB -0.396 31.485 32.500 -1.032 0.000 0.714 405 K HN 0.085 nan 8.250 nan 0.000 0.440 406 D N 0.069 120.341 120.400 -0.214 0.000 2.178 406 D HA -0.125 4.516 4.640 0.000 0.000 0.201 406 D C 1.946 178.244 176.300 -0.003 0.000 0.980 406 D CA 0.933 54.882 54.000 -0.084 0.000 0.842 406 D CB 0.076 40.843 40.800 -0.055 0.000 0.948 406 D HN 0.019 nan 8.370 nan 0.000 0.472 407 R N 0.564 121.085 120.500 0.035 0.000 2.066 407 R HA 0.037 4.377 4.340 0.000 0.000 0.232 407 R C 2.014 178.403 176.300 0.147 0.000 1.131 407 R CA 1.369 57.534 56.100 0.108 0.000 0.955 407 R CB -0.454 29.937 30.300 0.151 0.000 0.851 407 R HN 0.153 nan 8.270 nan 0.000 0.432 408 A N -0.222 122.698 122.820 0.168 0.000 1.835 408 A HA -0.153 4.167 4.320 0.000 0.000 0.215 408 A C 2.236 179.927 177.584 0.179 0.000 1.199 408 A CA 1.733 53.905 52.037 0.225 0.000 0.615 408 A CB -1.285 17.889 19.000 0.289 0.000 0.838 408 A HN 0.239 nan 8.150 nan 0.000 0.444 409 V N -0.007 119.966 119.914 0.098 0.000 2.439 409 V HA -0.259 3.861 4.120 0.000 0.000 0.253 409 V C 2.501 178.639 176.094 0.074 0.000 1.074 409 V CA 3.012 65.357 62.300 0.074 0.000 1.076 409 V CB -0.871 30.951 31.823 -0.001 0.000 0.664 409 V HN 0.670 nan 8.190 nan 0.000 0.461 410 T N -0.539 114.064 114.554 0.082 0.000 2.812 410 T HA -0.088 4.262 4.350 0.000 0.000 0.264 410 T C 1.782 176.544 174.700 0.103 0.000 1.042 410 T CA 1.301 63.452 62.100 0.085 0.000 1.140 410 T CB -0.209 68.713 68.868 0.089 0.000 0.870 410 T HN 0.503 nan 8.240 nan 0.000 0.445 411 E N 1.112 121.404 120.200 0.153 0.000 2.110 411 E HA -0.022 4.328 4.350 0.000 0.000 0.193 411 E C 2.148 178.806 176.600 0.096 0.000 0.988 411 E CA 0.745 57.258 56.400 0.189 0.000 0.804 411 E CB -0.398 29.466 29.700 0.272 0.000 0.745 411 E HN 0.539 nan 8.360 nan 0.000 0.458 412 I N 1.358 122.001 120.570 0.122 0.000 2.252 412 I HA -0.239 3.931 4.170 0.000 0.000 0.245 412 I C 2.031 178.175 176.117 0.044 0.000 1.102 412 I CA 0.750 62.120 61.300 0.117 0.000 1.385 412 I CB -0.297 37.877 38.000 0.290 0.000 1.064 412 I HN 0.026 nan 8.210 nan 0.000 0.414 413 N N 0.606 119.323 118.700 0.028 0.000 2.166 413 N HA -0.119 4.621 4.740 0.000 0.000 0.186 413 N C 1.934 177.421 175.510 -0.037 0.000 1.019 413 N CA 1.076 54.111 53.050 -0.025 0.000 0.856 413 N CB -0.180 38.295 38.487 -0.020 0.000 0.993 413 N HN 0.156 nan 8.380 nan 0.000 0.426 414 V N 1.430 121.318 119.914 -0.044 0.000 2.358 414 V HA -0.161 3.959 4.120 0.000 0.000 0.246 414 V C 2.369 178.348 176.094 -0.191 0.000 1.047 414 V CA 1.655 63.886 62.300 -0.115 0.000 1.035 414 V CB -0.762 30.970 31.823 -0.151 0.000 0.658 414 V HN 0.266 nan 8.190 nan 0.000 0.452 415 A N -0.139 122.528 122.820 -0.255 0.000 1.858 415 A HA -0.172 4.148 4.320 0.000 0.000 0.216 415 A C 2.398 179.955 177.584 -0.045 0.000 1.190 415 A CA 2.173 54.026 52.037 -0.308 0.000 0.617 415 A CB -0.812 17.712 19.000 -0.793 0.000 0.827 415 A HN 0.302 nan 8.150 nan 0.000 0.443 416 V N -0.249 119.668 119.914 0.006 0.000 2.231 416 V HA -0.291 3.829 4.120 0.000 0.000 0.248 416 V C 2.536 178.650 176.094 0.032 0.000 1.054 416 V CA 2.203 64.531 62.300 0.047 0.000 1.015 416 V CB -0.888 30.864 31.823 -0.117 0.000 0.638 416 V HN 0.503 nan 8.190 nan 0.000 0.444 417 L N -0.433 120.764 121.223 -0.043 0.000 2.012 417 L HA -0.221 4.119 4.340 0.000 0.000 0.210 417 L C 2.492 179.384 176.870 0.038 0.000 1.073 417 L CA 2.319 57.141 54.840 -0.030 0.000 0.748 417 L CB -1.284 40.758 42.059 -0.029 0.000 0.891 417 L HN 0.526 nan 8.230 nan 0.000 0.431 418 H N -1.218 117.807 119.070 -0.075 0.000 2.319 418 H HA -0.137 4.420 4.556 0.000 0.000 0.299 418 H C 2.127 177.445 175.328 -0.018 0.000 1.092 418 H CA 1.752 57.745 56.048 -0.091 0.000 1.302 418 H CB 0.417 30.052 29.762 -0.211 0.000 1.373 418 H HN 0.325 nan 8.280 nan 0.000 0.497 419 S N 0.425 116.060 115.700 -0.107 0.000 2.359 419 S HA -0.152 4.318 4.470 0.000 0.000 0.224 419 S C 2.004 176.571 174.600 -0.055 0.000 1.035 419 S CA 1.443 59.582 58.200 -0.102 0.000 1.018 419 S CB -0.627 62.617 63.200 0.073 0.000 0.876 419 S HN 0.290 nan 8.310 nan 0.000 0.448 420 F N 2.010 121.890 119.950 -0.117 0.000 2.095 420 F HA -0.146 4.381 4.527 0.000 0.000 0.298 420 F C 2.703 178.437 175.800 -0.109 0.000 1.104 420 F CA 1.251 59.200 58.000 -0.086 0.000 1.232 420 F CB -0.760 38.205 39.000 -0.058 0.000 0.987 420 F HN 0.229 nan 8.300 nan 0.000 0.475 421 Q N -0.126 119.710 119.800 0.060 0.000 2.020 421 Q HA -0.257 4.084 4.340 0.000 0.000 0.202 421 Q C 2.265 178.204 176.000 -0.101 0.000 0.982 421 Q CA 1.830 57.616 55.803 -0.029 0.000 0.838 421 Q CB -0.348 28.365 28.738 -0.042 0.000 0.899 421 Q HN 0.321 nan 8.270 nan 0.000 0.423 422 K N 0.723 120.999 120.400 -0.207 0.000 2.152 422 K HA -0.204 4.116 4.320 0.000 0.000 0.206 422 K C 1.452 177.965 176.600 -0.145 0.000 1.048 422 K CA 1.396 57.551 56.287 -0.219 0.000 0.933 422 K CB 0.141 32.413 32.500 -0.380 0.000 0.721 422 K HN 0.181 nan 8.250 nan 0.000 0.447 423 Q N 0.128 119.840 119.800 -0.146 0.000 2.246 423 Q HA 0.113 4.453 4.340 0.000 0.000 0.202 423 Q C -0.639 175.296 176.000 -0.109 0.000 0.883 423 Q CA -0.202 55.522 55.803 -0.131 0.000 0.952 423 Q CB 0.563 29.199 28.738 -0.171 0.000 1.078 423 Q HN 0.289 nan 8.270 nan 0.000 0.493 424 N N -0.185 118.464 118.700 -0.084 0.000 2.735 424 N HA -0.148 4.592 4.740 0.000 0.000 0.248 424 N C -1.255 174.224 175.510 -0.052 0.000 1.083 424 N CA 0.582 53.596 53.050 -0.062 0.000 0.703 424 N CB -1.394 37.058 38.487 -0.059 0.000 1.005 424 N HN 0.035 nan 8.380 nan 0.000 0.550 425 V N 0.906 120.797 119.914 -0.037 0.000 2.435 425 V HA 0.246 4.367 4.120 0.000 0.000 0.290 425 V C 0.904 177.094 176.094 0.161 0.000 1.030 425 V CA -0.597 61.711 62.300 0.014 0.000 0.881 425 V CB 1.992 33.726 31.823 -0.148 0.000 0.983 425 V HN 0.159 nan 8.190 nan 0.000 0.445 426 T N 6.500 121.104 114.554 0.083 0.000 2.908 426 T HA 0.399 4.749 4.350 0.000 0.000 0.301 426 T C -0.238 174.519 174.700 0.094 0.000 1.019 426 T CA 0.872 62.947 62.100 -0.041 0.000 1.152 426 T CB 0.018 68.733 68.868 -0.255 0.000 0.966 426 T HN 0.583 nan 8.240 nan 0.000 0.540 427 I N 2.543 123.082 120.570 -0.051 0.000 2.800 427 I HA 0.510 4.680 4.170 0.000 0.000 0.294 427 I C -1.676 174.406 176.117 -0.059 0.000 1.538 427 I CA -0.972 60.298 61.300 -0.050 0.000 1.010 427 I CB 1.977 39.801 38.000 -0.293 0.000 1.381 427 I HN 0.636 nan 8.210 nan 0.000 0.462 428 M N 6.572 126.196 119.600 0.040 0.000 2.395 428 M HA 0.385 4.865 4.480 0.000 0.000 0.307 428 M C -1.335 175.002 176.300 0.063 0.000 1.091 428 M CA -0.651 54.690 55.300 0.069 0.000 0.919 428 M CB 1.619 34.335 32.600 0.193 0.000 1.662 428 M HN 0.607 nan 8.290 nan 0.000 0.440 429 D N 3.408 123.845 120.400 0.061 0.000 2.357 429 D HA -0.009 4.632 4.640 0.000 0.000 0.242 429 D C 0.685 177.058 176.300 0.121 0.000 1.153 429 D CA -0.061 54.005 54.000 0.109 0.000 0.918 429 D CB 0.509 41.371 40.800 0.103 0.000 1.181 429 D HN 0.832 nan 8.370 nan 0.000 0.435 430 H N 0.426 119.442 119.070 -0.090 0.000 2.457 430 H HA -0.130 4.426 4.556 0.000 0.000 0.294 430 H C 1.380 176.610 175.328 -0.162 0.000 1.064 430 H CA 1.201 57.153 56.048 -0.160 0.000 1.330 430 H CB -0.730 28.876 29.762 -0.259 0.000 1.395 430 H HN 0.532 nan 8.280 nan 0.000 0.541 431 H N 0.846 119.726 119.070 -0.316 0.000 2.299 431 H HA -0.035 4.521 4.556 0.000 0.000 0.302 431 H C 1.949 177.240 175.328 -0.062 0.000 1.078 431 H CA 1.950 57.871 56.048 -0.212 0.000 1.323 431 H CB -0.284 29.324 29.762 -0.257 0.000 1.381 431 H HN 0.378 nan 8.280 nan 0.000 0.498 432 T N 1.215 115.823 114.554 0.091 0.000 2.746 432 T HA -0.091 4.259 4.350 0.000 0.000 0.267 432 T C 2.320 177.080 174.700 0.099 0.000 1.039 432 T CA 1.149 63.298 62.100 0.082 0.000 1.142 432 T CB -0.384 68.525 68.868 0.069 0.000 0.866 432 T HN 0.431 nan 8.240 nan 0.000 0.444 433 A N 1.264 124.145 122.820 0.101 0.000 1.902 433 A HA -0.086 4.234 4.320 0.000 0.000 0.217 433 A C 2.613 180.278 177.584 0.134 0.000 1.181 433 A CA 1.895 54.007 52.037 0.126 0.000 0.623 433 A CB -0.806 18.260 19.000 0.110 0.000 0.818 433 A HN 0.438 nan 8.150 nan 0.000 0.443 434 S N -0.192 115.566 115.700 0.097 0.000 2.368 434 S HA -0.136 4.334 4.470 0.000 0.000 0.224 434 S C 1.791 176.491 174.600 0.166 0.000 1.029 434 S CA 1.388 59.660 58.200 0.120 0.000 0.988 434 S CB -0.302 62.932 63.200 0.057 0.000 0.838 434 S HN 0.712 nan 8.310 nan 0.000 0.462 435 E N 0.869 121.147 120.200 0.128 0.000 2.150 435 E HA -0.078 4.272 4.350 0.000 0.000 0.193 435 E C 2.128 178.803 176.600 0.124 0.000 0.985 435 E CA 0.838 57.307 56.400 0.115 0.000 0.814 435 E CB -0.198 29.553 29.700 0.086 0.000 0.752 435 E HN 0.353 nan 8.360 nan 0.000 0.466 436 S N 0.472 116.258 115.700 0.144 0.000 2.356 436 S HA -0.162 4.308 4.470 0.000 0.000 0.223 436 S C 1.678 176.391 174.600 0.189 0.000 1.032 436 S CA 0.877 59.168 58.200 0.152 0.000 1.005 436 S CB -0.237 63.063 63.200 0.166 0.000 0.867 436 S HN 0.320 nan 8.310 nan 0.000 0.449 437 F N 1.562 121.565 119.950 0.089 0.000 2.234 437 F HA 0.050 4.577 4.527 0.000 0.000 0.299 437 F C 2.083 177.966 175.800 0.138 0.000 1.087 437 F CA 1.191 59.261 58.000 0.116 0.000 1.340 437 F CB -0.258 38.788 39.000 0.077 0.000 1.031 437 F HN 0.184 nan 8.300 nan 0.000 0.500 438 M N 0.197 119.868 119.600 0.119 0.000 2.086 438 M HA -0.189 4.291 4.480 0.000 0.000 0.261 438 M C 2.247 178.515 176.300 -0.055 0.000 1.067 438 M CA 1.581 56.897 55.300 0.027 0.000 1.116 438 M CB -1.152 31.508 32.600 0.099 0.000 1.348 438 M HN 0.071 nan 8.290 nan 0.000 0.407 439 K N -0.422 119.977 120.400 -0.001 0.000 2.097 439 K HA -0.203 4.117 4.320 0.000 0.000 0.206 439 K C 1.934 178.511 176.600 -0.038 0.000 1.049 439 K CA 1.760 58.044 56.287 -0.004 0.000 0.933 439 K CB -0.564 31.958 32.500 0.037 0.000 0.717 439 K HN 0.402 nan 8.250 nan 0.000 0.442 440 H N -0.158 118.811 119.070 -0.169 0.000 2.299 440 H HA -0.032 4.524 4.556 0.000 0.000 0.302 440 H C 2.030 177.184 175.328 -0.291 0.000 1.078 440 H CA 2.487 58.404 56.048 -0.218 0.000 1.323 440 H CB -0.266 29.328 29.762 -0.280 0.000 1.381 440 H HN 0.232 nan 8.280 nan 0.000 0.498 441 M N 0.091 119.314 119.600 -0.629 0.000 2.106 441 M HA -0.294 4.186 4.480 0.000 0.000 0.259 441 M C 2.220 178.412 176.300 -0.179 0.000 1.068 441 M CA 2.176 57.175 55.300 -0.502 0.000 1.100 441 M CB -0.093 32.262 32.600 -0.408 0.000 1.351 441 M HN 0.485 nan 8.290 nan 0.000 0.404 442 Q N -0.026 119.688 119.800 -0.143 0.000 2.061 442 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 442 Q C 1.724 177.696 176.000 -0.048 0.000 0.984 442 Q CA 1.851 57.622 55.803 -0.053 0.000 0.846 442 Q CB -0.264 28.442 28.738 -0.054 0.000 0.902 442 Q HN 0.601 nan 8.270 nan 0.000 0.421 443 N N 0.474 119.105 118.700 -0.116 0.000 2.104 443 N HA -0.164 4.576 4.740 0.000 0.000 0.190 443 N C 1.553 176.974 175.510 -0.149 0.000 1.024 443 N CA 1.001 53.992 53.050 -0.099 0.000 0.853 443 N CB -0.219 38.224 38.487 -0.073 0.000 1.008 443 N HN 0.224 nan 8.380 nan 0.000 0.424 444 E N 0.237 120.256 120.200 -0.302 0.000 2.118 444 E HA -0.147 4.203 4.350 0.000 0.000 0.195 444 E C 1.854 178.286 176.600 -0.281 0.000 0.992 444 E CA 0.854 57.037 56.400 -0.361 0.000 0.804 444 E CB -0.351 29.022 29.700 -0.545 0.000 0.741 444 E HN 0.504 nan 8.360 nan 0.000 0.458 445 Y N 0.806 121.004 120.300 -0.171 0.000 2.184 445 Y HA -0.085 4.465 4.550 0.000 0.000 0.290 445 Y C 2.657 178.509 175.900 -0.079 0.000 1.129 445 Y CA 1.291 59.331 58.100 -0.101 0.000 1.144 445 Y CB -0.206 38.207 38.460 -0.078 0.000 0.995 445 Y HN -0.051 nan 8.280 nan 0.000 0.513 446 R N -0.281 120.252 120.500 0.054 0.000 2.096 446 R HA -0.233 4.107 4.340 0.000 0.000 0.240 446 R C 2.444 178.731 176.300 -0.023 0.000 1.139 446 R CA 1.407 57.516 56.100 0.015 0.000 0.952 446 R CB -0.674 29.630 30.300 0.007 0.000 0.854 446 R HN 0.360 nan 8.270 nan 0.000 0.436 447 A N 1.491 124.278 122.820 -0.056 0.000 1.845 447 A HA -0.179 4.141 4.320 0.000 0.000 0.215 447 A C 1.640 179.171 177.584 -0.088 0.000 1.195 447 A CA 1.803 53.800 52.037 -0.066 0.000 0.616 447 A CB -0.210 18.740 19.000 -0.085 0.000 0.832 447 A HN 0.476 nan 8.150 nan 0.000 0.443 448 R N -2.370 118.043 120.500 -0.146 0.000 2.615 448 R HA 0.426 4.766 4.340 0.000 0.000 0.448 448 R C 0.587 176.774 176.300 -0.189 0.000 1.009 448 R CA 0.257 56.269 56.100 -0.147 0.000 1.111 448 R CB -0.748 29.460 30.300 -0.154 0.000 1.461 448 R HN 0.926 nan 8.270 nan 0.000 0.587 449 G N 0.081 108.760 108.800 -0.203 0.000 2.366 449 G HA2 -0.017 3.943 3.960 0.000 0.000 0.299 449 G HA3 -0.017 3.943 3.960 0.000 0.000 0.299 449 G C 0.264 174.864 174.900 -0.501 0.000 1.020 449 G CA 0.307 45.271 45.100 -0.227 0.000 1.026 449 G HN 0.998 nan 8.290 nan 0.000 0.512 450 G N -2.452 105.720 108.800 -1.046 0.000 2.347 450 G HA2 0.550 4.510 3.960 0.000 0.000 0.303 450 G HA3 0.550 4.510 3.960 0.000 0.000 0.303 450 G C -0.804 173.655 174.900 -0.735 0.000 1.481 450 G CA 0.219 44.681 45.100 -1.062 0.000 0.914 450 G HN 1.976 nan 8.290 nan 0.000 0.638 451 C N 2.414 121.496 119.300 -0.365 0.000 2.968 451 C HA 0.619 5.079 4.460 0.000 0.000 0.389 451 C C -2.566 172.332 174.990 -0.154 0.000 1.068 451 C CA -1.072 57.825 59.018 -0.202 0.000 1.272 451 C CB 0.995 28.655 27.740 -0.133 0.000 1.711 451 C HN 0.719 nan 8.230 nan 0.000 0.501 452 P HA 0.369 nan 4.420 nan 0.000 0.267 452 P C -0.548 176.647 177.300 -0.175 0.000 1.209 452 P CA 0.686 63.393 63.100 -0.655 0.000 0.763 452 P CB 0.944 32.178 31.700 -0.777 0.000 0.816 453 A N 2.795 125.575 122.820 -0.066 0.000 2.422 453 A HA 0.436 4.756 4.320 0.000 0.000 0.302 453 A C -0.925 176.701 177.584 0.071 0.000 1.041 453 A CA -0.530 51.558 52.037 0.085 0.000 0.708 453 A CB 1.301 20.459 19.000 0.264 0.000 1.257 453 A HN 0.436 nan 8.150 nan 0.000 0.414 454 D N 2.054 122.486 120.400 0.053 0.000 2.485 454 D HA 0.131 4.771 4.640 0.000 0.000 0.229 454 D C 0.806 177.216 176.300 0.185 0.000 1.101 454 D CA -0.582 53.485 54.000 0.111 0.000 0.906 454 D CB 0.253 41.085 40.800 0.053 0.000 1.019 454 D HN 0.605 nan 8.370 nan 0.000 0.516 455 W N 4.359 125.676 121.300 0.027 0.000 2.290 455 W HA -0.267 4.393 4.660 0.000 0.000 0.318 455 W C 1.707 178.238 176.519 0.019 0.000 1.248 455 W CA 1.438 58.784 57.345 0.002 0.000 1.263 455 W CB -0.101 29.340 29.460 -0.031 0.000 1.147 455 W HN 0.466 nan 8.180 nan 0.000 0.494 456 I N -1.172 119.680 120.570 0.471 0.000 2.335 456 I HA -0.314 3.856 4.170 0.000 0.000 0.251 456 I C 1.827 178.024 176.117 0.135 0.000 1.129 456 I CA 1.531 63.042 61.300 0.353 0.000 1.402 456 I CB -0.654 37.566 38.000 0.367 0.000 1.069 456 I HN 0.119 nan 8.210 nan 0.000 0.424 457 W N 0.224 121.488 121.300 -0.061 0.000 2.588 457 W HA 0.123 4.783 4.660 0.000 0.000 0.277 457 W C 2.291 178.684 176.519 -0.209 0.000 1.221 457 W CA 0.262 57.536 57.345 -0.118 0.000 1.355 457 W CB -0.393 29.014 29.460 -0.090 0.000 1.083 457 W HN -0.068 nan 8.180 nan 0.000 0.581 458 L N -0.162 121.017 121.223 -0.074 0.000 2.093 458 L HA -0.071 4.269 4.340 0.000 0.000 0.208 458 L C 0.704 177.363 176.870 -0.353 0.000 1.085 458 L CA 0.451 55.120 54.840 -0.284 0.000 0.755 458 L CB -1.091 40.713 42.059 -0.425 0.000 0.904 458 L HN -0.396 nan 8.230 nan 0.000 0.435 459 V N 1.411 121.031 119.914 -0.490 0.000 2.479 459 V HA 0.090 4.210 4.120 0.000 0.000 0.281 459 V C -1.829 174.076 176.094 -0.315 0.000 1.031 459 V CA -1.251 60.745 62.300 -0.507 0.000 1.038 459 V CB 0.293 31.574 31.823 -0.905 0.000 0.981 459 V HN 0.040 nan 8.190 nan 0.000 0.478 460 P HA 0.042 nan 4.420 nan 0.000 0.266 460 P C -1.721 175.460 177.300 -0.198 0.000 1.193 460 P CA -0.812 62.172 63.100 -0.194 0.000 0.770 460 P CB 0.074 31.707 31.700 -0.113 0.000 0.836 461 P HA -0.035 nan 4.420 nan 0.000 0.239 461 P C -0.018 177.185 177.300 -0.162 0.000 1.184 461 P CA 1.085 64.067 63.100 -0.197 0.000 0.760 461 P CB 0.440 32.007 31.700 -0.222 0.000 0.884 462 V N -1.286 118.524 119.914 -0.173 0.000 3.012 462 V HA 0.286 4.406 4.120 0.000 0.000 0.307 462 V C -0.118 175.947 176.094 -0.048 0.000 1.166 462 V CA -0.417 61.809 62.300 -0.122 0.000 0.974 462 V CB 1.845 33.564 31.823 -0.173 0.000 1.040 462 V HN -0.013 nan 8.190 nan 0.000 0.428 463 S N 3.095 118.787 115.700 -0.014 0.000 3.641 463 S HA -0.184 4.286 4.470 0.000 0.000 0.346 463 S C 1.403 175.972 174.600 -0.052 0.000 1.074 463 S CA 1.155 59.360 58.200 0.007 0.000 1.026 463 S CB -1.400 61.864 63.200 0.106 0.000 0.908 463 S HN 1.755 nan 8.310 nan 0.000 0.479 464 G N 2.548 111.298 108.800 -0.085 0.000 2.721 464 G HA2 -0.341 3.619 3.960 0.000 0.000 0.218 464 G HA3 -0.341 3.619 3.960 0.000 0.000 0.218 464 G C 1.506 176.225 174.900 -0.302 0.000 1.265 464 G CA 1.708 46.749 45.100 -0.100 0.000 0.796 464 G HN 1.363 nan 8.290 nan 0.000 0.620 465 S N 0.201 115.409 115.700 -0.819 0.000 2.500 465 S HA 0.031 4.501 4.470 0.000 0.000 0.239 465 S C 1.997 176.471 174.600 -0.210 0.000 0.989 465 S CA 0.843 58.381 58.200 -1.104 0.000 0.951 465 S CB -0.122 62.358 63.200 -1.201 0.000 0.759 465 S HN 0.222 nan 8.310 nan 0.000 0.523 466 I N 1.399 121.909 120.570 -0.099 0.000 3.428 466 I HA 0.139 4.309 4.170 0.000 0.000 0.286 466 I C 1.126 177.311 176.117 0.113 0.000 1.287 466 I CA 0.493 61.823 61.300 0.050 0.000 1.396 466 I CB -1.523 36.525 38.000 0.081 0.000 1.062 466 I HN 0.305 nan 8.210 nan 0.000 0.471 467 T N 3.020 117.615 114.554 0.069 0.000 2.867 467 T HA 0.295 4.645 4.350 0.000 0.000 0.282 467 T C -1.349 173.465 174.700 0.191 0.000 1.000 467 T CA -1.657 60.499 62.100 0.093 0.000 1.042 467 T CB 2.043 70.909 68.868 -0.003 0.000 0.973 467 T HN -0.030 nan 8.240 nan 0.000 0.465 468 P HA -0.080 nan 4.420 nan 0.000 0.219 468 P C 1.705 179.168 177.300 0.271 0.000 1.150 468 P CA 1.155 64.425 63.100 0.284 0.000 0.814 468 P CB -0.287 31.527 31.700 0.189 0.000 0.787 469 V N -2.999 117.017 119.914 0.169 0.000 2.469 469 V HA -0.246 3.874 4.120 0.000 0.000 0.251 469 V C 2.347 178.475 176.094 0.057 0.000 1.064 469 V CA 1.666 64.033 62.300 0.112 0.000 1.066 469 V CB -2.334 29.481 31.823 -0.014 0.000 0.667 469 V HN -0.100 nan 8.190 nan 0.000 0.461 470 F N 1.949 121.807 119.950 -0.152 0.000 2.171 470 F HA -0.133 4.394 4.527 0.000 0.000 0.300 470 F C 2.415 178.312 175.800 0.162 0.000 1.090 470 F CA 2.199 60.127 58.000 -0.120 0.000 1.293 470 F CB -0.419 38.403 39.000 -0.298 0.000 1.013 470 F HN 0.304 nan 8.300 nan 0.000 0.486 471 H N -0.938 118.455 119.070 0.537 0.000 2.539 471 H HA 0.097 4.653 4.556 0.000 0.000 0.267 471 H C 0.374 175.845 175.328 0.239 0.000 0.982 471 H CA 0.301 56.577 56.048 0.379 0.000 1.146 471 H CB -0.195 29.752 29.762 0.308 0.000 1.382 471 H HN 0.260 nan 8.280 nan 0.000 0.577 472 Q N 1.938 121.941 119.800 0.338 0.000 2.303 472 Q HA 0.150 4.490 4.340 0.000 0.000 0.257 472 Q C -0.572 175.576 176.000 0.247 0.000 0.941 472 Q CA -0.363 55.588 55.803 0.246 0.000 0.931 472 Q CB 0.816 29.690 28.738 0.227 0.000 1.215 472 Q HN 0.232 nan 8.270 nan 0.000 0.437 473 E N 3.541 123.818 120.200 0.128 0.000 2.373 473 E HA 0.308 4.658 4.350 0.000 0.000 0.267 473 E C -0.539 176.141 176.600 0.134 0.000 1.032 473 E CA 0.187 56.632 56.400 0.076 0.000 0.889 473 E CB 0.867 30.577 29.700 0.017 0.000 0.984 473 E HN 0.594 nan 8.360 nan 0.000 0.425 474 M N 2.115 121.809 119.600 0.157 0.000 2.550 474 M HA 0.352 4.832 4.480 0.000 0.000 0.292 474 M C -1.459 174.946 176.300 0.175 0.000 1.221 474 M CA -1.066 54.356 55.300 0.204 0.000 0.873 474 M CB 1.604 34.370 32.600 0.276 0.000 1.727 474 M HN 0.167 nan 8.290 nan 0.000 0.459 475 L N 2.356 123.708 121.223 0.215 0.000 2.305 475 L HA 0.474 4.814 4.340 0.000 0.000 0.284 475 L C -0.560 176.411 176.870 0.168 0.000 1.013 475 L CA -0.238 54.752 54.840 0.249 0.000 0.819 475 L CB 1.247 43.537 42.059 0.385 0.000 1.227 475 L HN 0.572 nan 8.230 nan 0.000 0.417 476 N N 3.540 122.326 118.700 0.144 0.000 2.469 476 N HA 0.525 5.265 4.740 0.000 0.000 0.253 476 N C -1.476 174.091 175.510 0.095 0.000 0.970 476 N CA -0.246 52.812 53.050 0.013 0.000 0.940 476 N CB 0.509 39.025 38.487 0.047 0.000 1.128 476 N HN 0.379 nan 8.380 nan 0.000 0.503 477 Y N 0.083 120.383 120.300 -0.001 0.000 2.615 477 Y HA 0.643 5.193 4.550 0.000 0.000 0.341 477 Y C -1.045 174.786 175.900 -0.115 0.000 1.089 477 Y CA -1.420 56.647 58.100 -0.055 0.000 1.049 477 Y CB 0.659 39.087 38.460 -0.053 0.000 1.296 477 Y HN -0.009 nan 8.280 nan 0.000 0.470 478 V N 3.967 123.829 119.914 -0.088 0.000 2.364 478 V HA 0.367 4.487 4.120 0.000 0.000 0.272 478 V C 0.123 176.045 176.094 -0.287 0.000 1.036 478 V CA -0.397 61.602 62.300 -0.500 0.000 0.880 478 V CB 0.490 31.848 31.823 -0.774 0.000 0.991 478 V HN 0.720 nan 8.190 nan 0.000 0.460 479 L N 2.973 124.076 121.223 -0.199 0.000 2.805 479 L HA 0.737 5.077 4.340 0.000 0.000 0.242 479 L C 0.261 177.098 176.870 -0.055 0.000 1.180 479 L CA -0.514 54.301 54.840 -0.040 0.000 1.001 479 L CB 1.591 43.680 42.059 0.049 0.000 1.864 479 L HN 0.604 nan 8.230 nan 0.000 0.551 480 S N -0.942 114.765 115.700 0.012 0.000 2.546 480 S HA 0.535 5.005 4.470 0.000 0.000 0.272 480 S C -2.689 171.936 174.600 0.042 0.000 1.140 480 S CA -1.051 57.164 58.200 0.025 0.000 0.920 480 S CB 1.961 65.160 63.200 -0.002 0.000 1.083 480 S HN 0.145 nan 8.310 nan 0.000 0.476 481 P HA 0.414 nan 4.420 nan 0.000 0.271 481 P C -1.315 175.945 177.300 -0.067 0.000 1.233 481 P CA -0.060 62.984 63.100 -0.093 0.000 0.789 481 P CB 0.244 31.818 31.700 -0.211 0.000 0.951 482 F N 0.367 120.116 119.950 -0.336 0.000 2.654 482 F HA 0.425 4.952 4.527 0.000 0.000 0.308 482 F C -1.520 173.970 175.800 -0.517 0.000 1.108 482 F CA -0.755 56.962 58.000 -0.473 0.000 0.957 482 F CB 1.225 39.896 39.000 -0.548 0.000 1.309 482 F HN 0.163 nan 8.300 nan 0.000 0.446 483 Y N 4.543 124.349 120.300 -0.823 0.000 2.434 483 Y HA 0.429 4.979 4.550 0.000 0.000 0.341 483 Y C -0.895 174.662 175.900 -0.572 0.000 0.965 483 Y CA -0.662 57.143 58.100 -0.491 0.000 1.205 483 Y CB 0.241 38.407 38.460 -0.488 0.000 1.121 483 Y HN 0.369 nan 8.280 nan 0.000 0.507 484 Y N 1.163 121.470 120.300 0.012 0.000 2.488 484 Y HA 0.397 4.947 4.550 0.000 0.000 0.325 484 Y C -0.170 175.701 175.900 -0.049 0.000 1.204 484 Y CA -1.133 56.977 58.100 0.017 0.000 1.229 484 Y CB 0.765 39.311 38.460 0.143 0.000 1.274 484 Y HN 0.411 nan 8.280 nan 0.000 0.493 485 Y N 0.385 120.832 120.300 0.245 0.000 2.289 485 Y HA 0.396 4.946 4.550 0.000 0.000 0.332 485 Y C 0.037 176.000 175.900 0.104 0.000 1.324 485 Y CA -0.828 57.340 58.100 0.114 0.000 1.478 485 Y CB 0.604 39.105 38.460 0.067 0.000 1.378 485 Y HN 0.440 nan 8.280 nan 0.000 0.558 486 Q N -0.032 119.895 119.800 0.212 0.000 2.553 486 Q HA 0.452 4.792 4.340 0.000 0.000 0.293 486 Q C -1.704 174.283 176.000 -0.022 0.000 1.038 486 Q CA -1.245 54.601 55.803 0.072 0.000 0.777 486 Q CB 2.359 31.114 28.738 0.029 0.000 1.487 486 Q HN 0.350 nan 8.270 nan 0.000 0.426 487 I N 1.737 122.257 120.570 -0.084 0.000 2.496 487 I HA 0.001 4.171 4.170 0.000 0.000 0.285 487 I C 0.175 176.092 176.117 -0.334 0.000 1.080 487 I CA 0.322 61.524 61.300 -0.164 0.000 1.404 487 I CB 0.440 38.355 38.000 -0.141 0.000 1.403 487 I HN 0.409 nan 8.210 nan 0.000 0.539 488 E N 8.940 128.845 120.200 -0.492 0.000 2.694 488 E HA -0.092 4.258 4.350 0.000 0.000 0.250 488 E C -1.356 174.586 176.600 -1.097 0.000 0.963 488 E CA -0.677 55.119 56.400 -1.007 0.000 0.949 488 E CB 0.126 28.994 29.700 -1.386 0.000 0.911 488 E HN 0.444 nan 8.360 nan 0.000 0.500 489 P HA -0.216 nan 4.420 nan 0.000 0.216 489 P C 0.904 177.671 177.300 -0.888 0.000 1.157 489 P CA 1.673 64.199 63.100 -0.957 0.000 0.880 489 P CB -0.224 30.687 31.700 -1.315 0.000 0.791 490 W N 0.633 121.387 121.300 -0.909 0.000 2.848 490 W HA 0.151 4.811 4.660 0.000 0.000 0.241 490 W C 1.471 177.973 176.519 -0.028 0.000 1.289 490 W CA 0.252 57.375 57.345 -0.371 0.000 1.396 490 W CB -1.272 28.111 29.460 -0.129 0.000 1.138 490 W HN -0.060 nan 8.180 nan 0.000 0.677 491 K N 0.253 120.447 120.400 -0.344 0.000 2.348 491 K HA 0.075 4.395 4.320 0.000 0.000 0.194 491 K C 0.615 177.187 176.600 -0.047 0.000 1.052 491 K CA 1.229 57.443 56.287 -0.121 0.000 1.004 491 K CB 0.256 32.609 32.500 -0.246 0.000 0.873 491 K HN 0.159 nan 8.250 nan 0.000 0.523 492 T N -1.312 113.188 114.554 -0.090 0.000 3.585 492 T HA 0.212 4.562 4.350 0.000 0.000 0.252 492 T C -1.072 173.655 174.700 0.045 0.000 1.382 492 T CA -0.750 61.335 62.100 -0.026 0.000 1.584 492 T CB -0.167 68.662 68.868 -0.066 0.000 0.892 492 T HN 0.130 nan 8.240 nan 0.000 0.671 493 H N 1.771 120.845 119.070 0.006 0.000 3.096 493 H HA 0.542 5.098 4.556 0.000 0.000 0.335 493 H C -1.106 174.264 175.328 0.071 0.000 0.990 493 H CA -1.095 54.955 56.048 0.003 0.000 1.393 493 H CB 0.542 30.303 29.762 -0.001 0.000 1.742 493 H HN 0.410 nan 8.280 nan 0.000 0.501 494 I N 2.962 123.221 120.570 -0.518 0.000 2.337 494 I HA 0.273 4.443 4.170 0.000 0.000 0.291 494 I C -0.056 175.722 176.117 -0.565 0.000 1.046 494 I CA -0.872 60.237 61.300 -0.319 0.000 1.324 494 I CB -0.606 37.308 38.000 -0.142 0.000 1.409 494 I HN 0.412 nan 8.210 nan 0.000 0.494 495 W N 0.000 121.112 121.300 -0.313 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.274 57.345 -0.119 0.000 1.226 495 W CB 0.000 29.480 29.460 0.033 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535