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 2bhj_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ NE 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 0.000 176.224 176.000 0.374 0.000 1.003 77 Q CA 0.000 55.932 55.803 0.215 0.000 1.022 77 Q CB 0.000 28.819 28.738 0.134 0.000 1.108 78 Y N 2.212 122.595 120.300 0.138 0.000 2.931 78 Y HA 0.702 5.250 4.550 -0.003 0.000 0.330 78 Y C -0.105 175.836 175.900 0.068 0.000 1.115 78 Y CA -2.403 55.772 58.100 0.125 0.000 1.283 78 Y CB -0.273 38.230 38.460 0.071 0.000 1.215 78 Y HN -0.137 nan 8.280 nan 0.000 0.534 79 V N 4.208 124.244 119.914 0.202 0.000 2.613 79 V HA -0.153 3.965 4.120 -0.003 0.000 0.289 79 V C 1.041 177.123 176.094 -0.021 0.000 0.985 79 V CA 0.543 62.844 62.300 0.001 0.000 1.181 79 V CB -0.933 30.728 31.823 -0.269 0.000 0.883 79 V HN 0.767 nan 8.190 nan 0.000 0.465 80 R N 4.485 124.985 120.500 -0.000 0.000 2.539 80 R HA 0.635 4.973 4.340 -0.003 0.000 0.275 80 R C -0.324 175.936 176.300 -0.066 0.000 1.077 80 R CA -0.412 55.673 56.100 -0.026 0.000 1.097 80 R CB 0.659 30.974 30.300 0.026 0.000 1.018 80 R HN 0.841 nan 8.270 nan 0.000 0.483 81 I N -0.215 120.289 120.570 -0.110 0.000 2.752 81 I HA 0.451 4.620 4.170 -0.003 0.000 0.295 81 I C -1.388 174.610 176.117 -0.198 0.000 1.219 81 I CA -0.848 60.369 61.300 -0.138 0.000 1.030 81 I CB 2.104 40.033 38.000 -0.118 0.000 1.259 81 I HN 0.541 nan 8.210 nan 0.000 0.423 82 K N 4.127 124.356 120.400 -0.285 0.000 2.375 82 K HA 0.458 4.776 4.320 -0.003 0.000 0.249 82 K C -1.495 174.852 176.600 -0.423 0.000 0.942 82 K CA -0.664 55.395 56.287 -0.380 0.000 0.806 82 K CB 2.114 34.289 32.500 -0.541 0.000 1.227 82 K HN 0.862 nan 8.250 nan 0.000 0.430 83 N N 3.949 122.478 118.700 -0.286 0.000 2.420 83 N HA 0.051 4.789 4.740 -0.003 0.000 0.249 83 N C -0.049 175.371 175.510 -0.149 0.000 1.033 83 N CA -0.552 52.396 53.050 -0.169 0.000 0.944 83 N CB 0.372 38.818 38.487 -0.070 0.000 1.113 83 N HN 0.693 nan 8.380 nan 0.000 0.502 84 W N 3.650 124.973 121.300 0.037 0.000 2.103 84 W HA -0.140 4.518 4.660 -0.003 0.000 0.315 84 W C 2.418 178.962 176.519 0.042 0.000 1.170 84 W CA 1.373 58.747 57.345 0.048 0.000 1.085 84 W CB -0.933 28.560 29.460 0.054 0.000 1.149 84 W HN 0.723 nan 8.180 nan 0.000 0.476 85 G N 0.098 109.094 108.800 0.328 0.000 2.900 85 G HA2 -0.529 3.430 3.960 -0.003 0.000 0.255 85 G HA3 -0.529 3.430 3.960 -0.003 0.000 0.255 85 G C 1.419 176.404 174.900 0.142 0.000 1.105 85 G CA 2.912 48.126 45.100 0.190 0.000 0.735 85 G HN 0.423 nan 8.290 nan 0.000 0.652 86 S N -0.139 115.619 115.700 0.098 0.000 2.496 86 S HA 0.346 4.815 4.470 -0.003 0.000 0.224 86 S C 2.003 176.637 174.600 0.056 0.000 0.996 86 S CA 1.017 59.255 58.200 0.063 0.000 0.927 86 S CB -0.159 63.059 63.200 0.030 0.000 0.774 86 S HN 2.073 nan 8.310 nan 0.000 0.524 87 G N 0.750 109.586 108.800 0.059 0.000 2.160 87 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.251 87 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.251 87 G C -0.209 174.674 174.900 -0.029 0.000 1.008 87 G CA 0.447 45.569 45.100 0.037 0.000 0.724 87 G HN 0.666 nan 8.290 nan 0.000 0.514 88 E N -0.441 119.725 120.200 -0.057 0.000 2.283 88 E HA 0.604 4.952 4.350 -0.003 0.000 0.271 88 E C -0.121 176.395 176.600 -0.141 0.000 1.031 88 E CA -0.646 55.705 56.400 -0.081 0.000 0.868 88 E CB 0.602 30.263 29.700 -0.065 0.000 1.094 88 E HN 0.332 nan 8.360 nan 0.000 0.401 89 I N 2.398 122.875 120.570 -0.155 0.000 2.686 89 I HA 0.379 4.548 4.170 -0.003 0.000 0.295 89 I C -1.112 174.831 176.117 -0.291 0.000 1.114 89 I CA -0.647 60.528 61.300 -0.207 0.000 1.038 89 I CB 1.504 39.399 38.000 -0.176 0.000 1.238 89 I HN 0.291 nan 8.210 nan 0.000 0.420 90 L N 3.501 124.531 121.223 -0.323 0.000 2.434 90 L HA 0.628 4.966 4.340 -0.003 0.000 0.260 90 L C -1.071 175.552 176.870 -0.413 0.000 0.983 90 L CA -0.800 53.786 54.840 -0.424 0.000 0.820 90 L CB 1.921 43.838 42.059 -0.237 0.000 1.361 90 L HN 0.534 nan 8.230 nan 0.000 0.410 91 H N -0.466 118.433 119.070 -0.285 0.000 2.552 91 H HA 0.328 4.883 4.556 -0.003 0.000 0.311 91 H C -1.178 174.064 175.328 -0.142 0.000 1.071 91 H CA -0.710 55.104 56.048 -0.390 0.000 1.307 91 H CB 1.584 30.818 29.762 -0.881 0.000 1.416 91 H HN 0.523 nan 8.280 nan 0.000 0.464 92 D N 2.349 122.771 120.400 0.038 0.000 2.316 92 D HA 0.085 4.723 4.640 -0.003 0.000 0.245 92 D C 0.423 176.873 176.300 0.250 0.000 1.171 92 D CA 0.004 54.063 54.000 0.098 0.000 0.856 92 D CB 1.138 41.953 40.800 0.026 0.000 1.090 92 D HN 0.531 nan 8.370 nan 0.000 0.476 93 T N 3.174 117.829 114.554 0.168 0.000 2.896 93 T HA -0.055 4.293 4.350 -0.003 0.000 0.238 93 T C 1.971 176.633 174.700 -0.064 0.000 1.045 93 T CA -0.048 62.112 62.100 0.100 0.000 1.248 93 T CB -0.637 68.310 68.868 0.131 0.000 0.955 93 T HN 0.405 nan 8.240 nan 0.000 0.416 94 L N 1.558 122.793 121.223 0.019 0.000 2.325 94 L HA -0.381 3.957 4.340 -0.003 0.000 0.221 94 L C 2.405 179.252 176.870 -0.039 0.000 1.091 94 L CA 2.601 57.444 54.840 0.005 0.000 0.813 94 L CB -0.607 41.473 42.059 0.035 0.000 0.893 94 L HN 0.672 nan 8.230 nan 0.000 0.446 95 H N -3.756 115.265 119.070 -0.082 0.000 2.518 95 H HA -0.185 4.369 4.556 -0.003 0.000 0.292 95 H C 1.866 177.159 175.328 -0.058 0.000 1.068 95 H CA 1.767 57.761 56.048 -0.089 0.000 1.275 95 H CB -0.678 29.006 29.762 -0.129 0.000 1.375 95 H HN 0.571 nan 8.280 nan 0.000 0.563 96 H N 0.657 119.420 119.070 -0.512 0.000 2.357 96 H HA 0.012 4.566 4.556 -0.003 0.000 0.301 96 H C 1.330 176.583 175.328 -0.125 0.000 1.082 96 H CA 0.993 56.842 56.048 -0.332 0.000 1.342 96 H CB 0.178 29.759 29.762 -0.302 0.000 1.389 96 H HN 0.256 nan 8.280 nan 0.000 0.511 97 K N 1.089 121.510 120.400 0.034 0.000 2.665 97 K HA 0.090 4.409 4.320 -0.003 0.000 0.196 97 K C 0.126 176.742 176.600 0.026 0.000 1.021 97 K CA 0.037 56.340 56.287 0.027 0.000 1.066 97 K CB 0.194 32.706 32.500 0.020 0.000 0.849 97 K HN 0.239 nan 8.250 nan 0.000 0.500 98 A N 0.551 123.392 122.820 0.034 0.000 2.498 98 A HA 0.016 4.335 4.320 -0.003 0.000 0.239 98 A C 1.583 179.185 177.584 0.031 0.000 1.068 98 A CA 0.305 52.366 52.037 0.040 0.000 0.766 98 A CB 0.204 19.242 19.000 0.063 0.000 1.003 98 A HN 0.451 nan 8.150 nan 0.000 0.497 99 T N 0.358 114.926 114.554 0.024 0.000 2.915 99 T HA 0.089 4.437 4.350 -0.003 0.000 0.269 99 T C 0.960 175.671 174.700 0.018 0.000 1.071 99 T CA 1.065 63.176 62.100 0.017 0.000 1.132 99 T CB -0.664 68.211 68.868 0.012 0.000 0.878 99 T HN 1.548 nan 8.240 nan 0.000 0.479 110 L N 3.763 124.973 121.223 -0.021 0.000 3.030 110 L HA 0.461 4.799 4.340 -0.003 0.000 0.252 110 L C 1.534 178.405 176.870 0.002 0.000 1.316 110 L CA 0.718 55.544 54.840 -0.024 0.000 0.975 110 L CB -0.205 41.829 42.059 -0.041 0.000 1.357 110 L HN 0.895 nan 8.230 nan 0.000 0.534 111 G N -0.091 108.718 108.800 0.015 0.000 2.470 111 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.220 111 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.220 111 G C 1.491 176.445 174.900 0.091 0.000 1.121 111 G CA 1.101 46.227 45.100 0.043 0.000 0.766 111 G HN 0.535 nan 8.290 nan 0.000 0.553 112 S N -0.693 115.060 115.700 0.088 0.000 2.593 112 S HA 0.304 4.772 4.470 -0.003 0.000 0.217 112 S C 0.772 175.469 174.600 0.161 0.000 0.966 112 S CA -0.655 57.629 58.200 0.140 0.000 0.914 112 S CB -0.212 63.051 63.200 0.105 0.000 0.776 112 S HN 0.142 nan 8.310 nan 0.000 0.523 113 I N 1.731 122.371 120.570 0.117 0.000 2.662 113 I HA 0.190 4.358 4.170 -0.003 0.000 0.291 113 I C 1.600 177.835 176.117 0.197 0.000 1.046 113 I CA -0.243 61.132 61.300 0.125 0.000 1.361 113 I CB 0.971 39.000 38.000 0.049 0.000 1.429 113 I HN 0.236 nan 8.210 nan 0.000 0.558 114 M N 3.211 122.991 119.600 0.300 0.000 2.171 114 M HA 0.028 4.506 4.480 -0.003 0.000 0.260 114 M C 0.114 176.490 176.300 0.126 0.000 1.087 114 M CA 1.255 56.778 55.300 0.371 0.000 1.154 114 M CB -0.154 32.852 32.600 0.675 0.000 1.331 114 M HN 0.513 nan 8.290 nan 0.000 0.431 115 N N 1.902 120.678 118.700 0.127 0.000 2.976 115 N HA 0.325 5.063 4.740 -0.003 0.000 0.255 115 N C -2.569 172.906 175.510 -0.058 0.000 1.312 115 N CA -0.854 52.168 53.050 -0.046 0.000 0.897 115 N CB 0.386 38.955 38.487 0.138 0.000 1.184 115 N HN 0.224 nan 8.380 nan 0.000 0.497 116 P HA 0.233 nan 4.420 nan 0.000 0.278 116 P C 0.530 177.791 177.300 -0.066 0.000 1.238 116 P CA -0.363 62.696 63.100 -0.069 0.000 0.794 116 P CB 1.926 33.580 31.700 -0.077 0.000 0.955 117 K N 0.667 121.053 120.400 -0.024 0.000 2.281 117 K HA -0.098 4.220 4.320 -0.003 0.000 0.203 117 K C 1.783 178.381 176.600 -0.003 0.000 1.046 117 K CA 1.735 58.020 56.287 -0.004 0.000 0.938 117 K CB -0.359 32.143 32.500 0.005 0.000 0.737 117 K HN 0.529 nan 8.250 nan 0.000 0.458 118 S N 0.295 115.979 115.700 -0.026 0.000 2.584 118 S HA -0.066 4.402 4.470 -0.003 0.000 0.240 118 S C 1.030 175.604 174.600 -0.045 0.000 0.975 118 S CA 0.655 58.837 58.200 -0.030 0.000 0.949 118 S CB 0.067 63.240 63.200 -0.045 0.000 0.761 118 S HN 0.102 nan 8.310 nan 0.000 0.536 119 L N 1.063 122.256 121.223 -0.049 0.000 3.431 119 L HA 0.447 4.786 4.340 -0.003 0.000 0.316 119 L C 0.014 176.954 176.870 0.116 0.000 1.305 119 L CA 0.298 55.096 54.840 -0.070 0.000 0.995 119 L CB 0.462 42.349 42.059 -0.287 0.000 1.411 119 L HN 0.205 nan 8.230 nan 0.000 0.610 120 T N -1.414 113.289 114.554 0.249 0.000 2.633 120 T HA 0.725 5.074 4.350 -0.003 0.000 0.262 120 T C -0.858 173.995 174.700 0.255 0.000 0.920 120 T CA -0.734 61.549 62.100 0.306 0.000 1.062 120 T CB 2.143 71.101 68.868 0.150 0.000 1.390 120 T HN -0.124 nan 8.240 nan 0.000 0.549 121 R N 0.147 120.708 120.500 0.102 0.000 3.090 121 R HA 0.451 4.790 4.340 -0.003 0.000 0.264 121 R C -0.037 176.251 176.300 -0.018 0.000 1.380 121 R CA 0.041 56.112 56.100 -0.048 0.000 0.952 121 R CB 0.058 30.230 30.300 -0.214 0.000 1.428 121 R HN 0.940 nan 8.270 nan 0.000 0.371 122 G N 2.332 111.119 108.800 -0.021 0.000 2.489 122 G HA2 0.440 4.399 3.960 -0.003 0.000 0.271 122 G HA3 0.440 4.399 3.960 -0.003 0.000 0.271 122 G C -1.902 172.979 174.900 -0.032 0.000 1.427 122 G CA -0.849 44.236 45.100 -0.025 0.000 1.057 122 G HN 0.347 nan 8.290 nan 0.000 0.532 123 P HA 0.351 nan 4.420 nan 0.000 0.280 123 P C -0.200 177.083 177.300 -0.029 0.000 1.278 123 P CA -0.116 62.968 63.100 -0.027 0.000 0.787 123 P CB 0.477 32.161 31.700 -0.027 0.000 1.163 124 R N -1.281 119.202 120.500 -0.028 0.000 2.733 124 R HA 0.340 4.679 4.340 -0.003 0.000 0.272 124 R C -0.775 175.504 176.300 -0.035 0.000 1.029 124 R CA -0.503 55.578 56.100 -0.031 0.000 0.888 124 R CB 1.166 31.446 30.300 -0.034 0.000 1.251 124 R HN 0.269 nan 8.270 nan 0.000 0.464 125 D N -0.100 120.277 120.400 -0.038 0.000 2.516 125 D HA 0.176 4.814 4.640 -0.003 0.000 0.241 125 D C -1.201 175.068 176.300 -0.052 0.000 1.246 125 D CA 0.361 54.333 54.000 -0.046 0.000 0.808 125 D CB 0.798 41.577 40.800 -0.035 0.000 1.147 125 D HN 0.329 nan 8.370 nan 0.000 0.527 126 K N -0.493 119.880 120.400 -0.045 0.000 2.568 126 K HA 0.512 4.830 4.320 -0.003 0.000 0.273 126 K C -2.826 173.752 176.600 -0.035 0.000 0.951 126 K CA -1.538 54.724 56.287 -0.042 0.000 0.854 126 K CB 1.471 33.952 32.500 -0.031 0.000 1.424 126 K HN -0.336 nan 8.250 nan 0.000 0.427 127 P HA -0.110 nan 4.420 nan 0.000 0.283 127 P C -0.501 176.790 177.300 -0.015 0.000 1.388 127 P CA -0.055 63.034 63.100 -0.018 0.000 0.977 127 P CB 0.177 31.872 31.700 -0.008 0.000 1.287 128 T N 0.599 115.150 114.554 -0.005 0.000 2.912 128 T HA 0.311 4.660 4.350 -0.003 0.000 0.326 128 T C -2.503 172.193 174.700 -0.005 0.000 1.080 128 T CA -1.143 60.955 62.100 -0.003 0.000 1.000 128 T CB 0.216 69.091 68.868 0.011 0.000 1.008 128 T HN 0.213 nan 8.240 nan 0.000 0.473 129 P HA -0.098 nan 4.420 nan 0.000 0.240 129 P C 1.334 178.614 177.300 -0.034 0.000 1.079 129 P CA 0.183 63.268 63.100 -0.025 0.000 0.839 129 P CB 0.117 31.800 31.700 -0.029 0.000 0.750 130 L N 3.701 124.905 121.223 -0.032 0.000 2.113 130 L HA -0.274 4.064 4.340 -0.003 0.000 0.221 130 L C 2.419 179.250 176.870 -0.065 0.000 1.084 130 L CA 2.435 57.250 54.840 -0.042 0.000 0.787 130 L CB -1.145 40.891 42.059 -0.038 0.000 0.893 130 L HN 0.495 nan 8.230 nan 0.000 0.440 131 E N 0.086 120.247 120.200 -0.066 0.000 2.118 131 E HA -0.263 4.086 4.350 -0.003 0.000 0.195 131 E C 1.821 178.343 176.600 -0.131 0.000 0.992 131 E CA 1.529 57.879 56.400 -0.084 0.000 0.804 131 E CB -0.336 29.324 29.700 -0.067 0.000 0.741 131 E HN 0.582 nan 8.360 nan 0.000 0.458 132 E N 0.959 121.081 120.200 -0.131 0.000 2.016 132 E HA -0.016 4.332 4.350 -0.003 0.000 0.190 132 E C 2.309 178.732 176.600 -0.294 0.000 0.985 132 E CA 0.738 57.010 56.400 -0.214 0.000 0.802 132 E CB -0.139 29.504 29.700 -0.095 0.000 0.762 132 E HN 0.169 nan 8.360 nan 0.000 0.448 133 L N 0.949 122.112 121.223 -0.100 0.000 1.956 133 L HA -0.231 4.107 4.340 -0.003 0.000 0.216 133 L C 2.401 179.242 176.870 -0.047 0.000 1.073 133 L CA 1.097 55.934 54.840 -0.006 0.000 0.762 133 L CB -0.353 41.723 42.059 0.029 0.000 0.889 133 L HN 0.308 nan 8.230 nan 0.000 0.433 134 L N 0.488 121.656 121.223 -0.091 0.000 2.034 134 L HA -0.200 4.138 4.340 -0.003 0.000 0.217 134 L C -0.276 176.542 176.870 -0.086 0.000 1.077 134 L CA 2.710 57.485 54.840 -0.109 0.000 0.769 134 L CB -2.302 39.696 42.059 -0.100 0.000 0.890 134 L HN 0.302 nan 8.230 nan 0.000 0.435 135 P HA -0.126 nan 4.420 nan 0.000 0.220 135 P C 1.241 178.562 177.300 0.035 0.000 1.152 135 P CA 1.335 64.392 63.100 -0.072 0.000 0.812 135 P CB -0.209 31.408 31.700 -0.138 0.000 0.792 136 H N 0.862 119.956 119.070 0.039 0.000 2.276 136 H HA 0.057 4.612 4.556 -0.003 0.000 0.301 136 H C 2.257 177.674 175.328 0.148 0.000 1.073 136 H CA 1.546 57.646 56.048 0.086 0.000 1.311 136 H CB -1.222 28.589 29.762 0.081 0.000 1.379 136 H HN 0.047 nan 8.280 nan 0.000 0.494 137 A N 1.917 124.896 122.820 0.265 0.000 1.903 137 A HA -0.200 4.118 4.320 -0.003 0.000 0.219 137 A C 2.463 180.147 177.584 0.166 0.000 1.191 137 A CA 2.085 54.252 52.037 0.216 0.000 0.638 137 A CB -0.794 18.094 19.000 -0.188 0.000 0.823 137 A HN 0.316 nan 8.150 nan 0.000 0.451 138 I N -0.499 120.116 120.570 0.076 0.000 2.163 138 I HA -0.260 3.908 4.170 -0.003 0.000 0.243 138 I C 2.330 178.530 176.117 0.138 0.000 1.085 138 I CA 2.044 63.381 61.300 0.061 0.000 1.347 138 I CB -1.809 36.205 38.000 0.023 0.000 1.044 138 I HN 0.431 nan 8.210 nan 0.000 0.408 139 E N 0.738 121.050 120.200 0.185 0.000 2.033 139 E HA -0.252 4.096 4.350 -0.003 0.000 0.199 139 E C 2.063 178.853 176.600 0.317 0.000 1.011 139 E CA 1.710 58.243 56.400 0.223 0.000 0.815 139 E CB -0.327 29.513 29.700 0.232 0.000 0.755 139 E HN 0.340 nan 8.360 nan 0.000 0.451 140 F N 1.273 121.335 119.950 0.187 0.000 2.000 140 F HA -0.264 4.261 4.527 -0.003 0.000 0.296 140 F C 2.034 177.973 175.800 0.233 0.000 1.159 140 F CA 1.414 59.552 58.000 0.230 0.000 1.183 140 F CB -1.099 38.062 39.000 0.268 0.000 0.959 140 F HN 0.011 nan 8.300 nan 0.000 0.490 141 I N 1.426 121.956 120.570 -0.068 0.000 2.227 141 I HA -0.416 3.752 4.170 -0.003 0.000 0.250 141 I C 2.379 178.485 176.117 -0.018 0.000 1.087 141 I CA 1.760 62.941 61.300 -0.198 0.000 1.352 141 I CB -1.029 36.920 38.000 -0.085 0.000 1.043 141 I HN 0.319 nan 8.210 nan 0.000 0.425 142 N N -0.318 118.447 118.700 0.109 0.000 2.142 142 N HA -0.217 4.522 4.740 -0.003 0.000 0.186 142 N C 1.888 177.475 175.510 0.128 0.000 1.023 142 N CA 1.186 54.335 53.050 0.165 0.000 0.852 142 N CB -0.182 38.438 38.487 0.222 0.000 0.998 142 N HN 0.562 nan 8.380 nan 0.000 0.424 143 Q N -0.098 119.836 119.800 0.223 0.000 2.020 143 Q HA -0.216 4.122 4.340 -0.003 0.000 0.202 143 Q C 1.934 178.046 176.000 0.186 0.000 0.982 143 Q CA 1.324 57.300 55.803 0.288 0.000 0.838 143 Q CB -0.249 28.777 28.738 0.482 0.000 0.899 143 Q HN 0.305 nan 8.270 nan 0.000 0.423 144 Y N 0.593 120.789 120.300 -0.174 0.000 1.956 144 Y HA -0.348 4.201 4.550 -0.003 0.000 0.258 144 Y C 1.733 177.376 175.900 -0.429 0.000 1.152 144 Y CA 2.190 59.875 58.100 -0.692 0.000 1.093 144 Y CB -1.194 36.799 38.460 -0.777 0.000 0.945 144 Y HN 0.260 nan 8.280 nan 0.000 0.488 145 Y N 0.408 120.622 120.300 -0.144 0.000 2.738 145 Y HA -0.112 4.436 4.550 -0.003 0.000 0.293 145 Y C 2.460 178.086 175.900 -0.457 0.000 1.156 145 Y CA 0.777 58.435 58.100 -0.735 0.000 1.410 145 Y CB -0.834 36.844 38.460 -1.303 0.000 0.966 145 Y HN 0.304 nan 8.280 nan 0.000 0.568 146 G N -0.779 108.022 108.800 0.001 0.000 2.395 146 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.214 146 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.214 146 G C 1.775 176.820 174.900 0.242 0.000 1.177 146 G CA 0.822 45.991 45.100 0.116 0.000 0.794 146 G HN 0.408 nan 8.290 nan 0.000 0.532 147 S N 1.528 117.428 115.700 0.332 0.000 2.414 147 S HA -0.193 4.276 4.470 -0.003 0.000 0.238 147 S C 0.810 175.632 174.600 0.370 0.000 1.055 147 S CA 0.830 59.245 58.200 0.359 0.000 1.174 147 S CB -0.992 62.391 63.200 0.305 0.000 1.087 147 S HN 0.205 nan 8.310 nan 0.000 0.428 148 F N 2.803 122.769 119.950 0.027 0.000 2.317 148 F HA -0.097 4.429 4.527 -0.003 0.000 0.385 148 F C 1.530 177.362 175.800 0.053 0.000 0.895 148 F CA -0.192 57.829 58.000 0.035 0.000 1.133 148 F CB -0.020 39.002 39.000 0.037 0.000 0.865 148 F HN 0.155 nan 8.300 nan 0.000 0.569 149 K N 0.692 121.209 120.400 0.194 0.000 2.432 149 K HA -0.037 4.281 4.320 -0.003 0.000 0.196 149 K C -0.157 176.530 176.600 0.145 0.000 1.038 149 K CA 0.888 57.257 56.287 0.136 0.000 0.986 149 K CB 0.292 32.842 32.500 0.083 0.000 0.782 149 K HN 0.544 nan 8.250 nan 0.000 0.485 150 E N 0.196 120.516 120.200 0.199 0.000 2.263 150 E HA 0.258 4.606 4.350 -0.003 0.000 0.268 150 E C -1.454 175.283 176.600 0.228 0.000 0.884 150 E CA -0.465 56.038 56.400 0.173 0.000 0.766 150 E CB 1.897 31.682 29.700 0.142 0.000 1.196 150 E HN 0.162 nan 8.360 nan 0.000 0.416 151 A N 2.853 125.751 122.820 0.130 0.000 2.401 151 A HA 0.256 4.575 4.320 -0.003 0.000 0.259 151 A C 0.337 177.941 177.584 0.034 0.000 1.103 151 A CA -0.216 51.848 52.037 0.045 0.000 0.789 151 A CB 0.298 19.316 19.000 0.031 0.000 1.035 151 A HN 0.439 nan 8.150 nan 0.000 0.491 152 K N 3.248 123.616 120.400 -0.054 0.000 3.127 152 K HA 0.192 4.511 4.320 -0.003 0.000 0.236 152 K C 0.364 176.957 176.600 -0.013 0.000 1.271 152 K CA -0.192 56.111 56.287 0.027 0.000 1.224 152 K CB -0.232 32.340 32.500 0.121 0.000 1.482 152 K HN 0.706 nan 8.250 nan 0.000 0.435 153 I N 0.888 121.450 120.570 -0.014 0.000 2.151 153 I HA -0.450 3.718 4.170 -0.003 0.000 0.236 153 I C 1.950 178.010 176.117 -0.094 0.000 1.000 153 I CA 1.779 63.053 61.300 -0.044 0.000 1.285 153 I CB -0.532 37.440 38.000 -0.046 0.000 0.994 153 I HN 0.289 nan 8.210 nan 0.000 0.396 154 E N 0.805 120.961 120.200 -0.073 0.000 2.035 154 E HA -0.253 4.096 4.350 -0.003 0.000 0.204 154 E C 2.140 178.665 176.600 -0.124 0.000 1.025 154 E CA 1.993 58.342 56.400 -0.085 0.000 0.835 154 E CB -0.541 29.131 29.700 -0.046 0.000 0.764 154 E HN 0.606 nan 8.360 nan 0.000 0.457 155 E N -0.401 119.739 120.200 -0.099 0.000 2.130 155 E HA -0.293 4.055 4.350 -0.003 0.000 0.196 155 E C 2.179 178.502 176.600 -0.463 0.000 0.998 155 E CA 1.420 57.737 56.400 -0.138 0.000 0.806 155 E CB -0.417 29.314 29.700 0.053 0.000 0.738 155 E HN 0.533 nan 8.360 nan 0.000 0.459 156 H N 0.615 119.215 119.070 -0.783 0.000 2.253 156 H HA -0.170 4.384 4.556 -0.003 0.000 0.296 156 H C 2.212 177.127 175.328 -0.689 0.000 1.067 156 H CA 1.297 56.618 56.048 -1.212 0.000 1.245 156 H CB 0.088 29.433 29.762 -0.695 0.000 1.364 156 H HN -0.006 nan 8.280 nan 0.000 0.494 157 L N 1.009 122.040 121.223 -0.320 0.000 1.956 157 L HA -0.241 4.097 4.340 -0.003 0.000 0.216 157 L C 2.990 179.730 176.870 -0.216 0.000 1.073 157 L CA 1.930 56.602 54.840 -0.279 0.000 0.762 157 L CB -1.273 40.651 42.059 -0.226 0.000 0.889 157 L HN 0.497 nan 8.230 nan 0.000 0.433 158 A N -0.482 122.223 122.820 -0.192 0.000 1.882 158 A HA -0.377 3.942 4.320 -0.003 0.000 0.220 158 A C 2.446 179.939 177.584 -0.152 0.000 1.253 158 A CA 2.732 54.682 52.037 -0.145 0.000 0.664 158 A CB -0.774 18.156 19.000 -0.117 0.000 0.838 158 A HN 0.373 nan 8.150 nan 0.000 0.460 159 R N -0.124 120.244 120.500 -0.220 0.000 2.096 159 R HA -0.097 4.241 4.340 -0.003 0.000 0.240 159 R C 1.996 178.205 176.300 -0.153 0.000 1.139 159 R CA 2.023 58.010 56.100 -0.188 0.000 0.952 159 R CB -1.159 28.962 30.300 -0.300 0.000 0.854 159 R HN 0.562 nan 8.270 nan 0.000 0.436 160 L N 0.299 121.412 121.223 -0.183 0.000 1.971 160 L HA -0.264 4.075 4.340 -0.003 0.000 0.215 160 L C 2.582 179.386 176.870 -0.109 0.000 1.072 160 L CA 2.137 56.900 54.840 -0.127 0.000 0.758 160 L CB -0.693 41.289 42.059 -0.128 0.000 0.889 160 L HN 0.366 nan 8.230 nan 0.000 0.433 161 E N 0.549 120.684 120.200 -0.110 0.000 2.038 161 E HA -0.267 4.081 4.350 -0.003 0.000 0.195 161 E C 1.974 178.531 176.600 -0.073 0.000 1.000 161 E CA 1.833 58.180 56.400 -0.088 0.000 0.803 161 E CB -0.546 29.105 29.700 -0.082 0.000 0.750 161 E HN 0.362 nan 8.360 nan 0.000 0.448 162 A N 0.694 123.474 122.820 -0.067 0.000 1.915 162 A HA -0.263 4.055 4.320 -0.003 0.000 0.220 162 A C 2.564 180.129 177.584 -0.032 0.000 1.198 162 A CA 2.772 54.784 52.037 -0.041 0.000 0.647 162 A CB -1.191 17.789 19.000 -0.033 0.000 0.825 162 A HN 0.259 nan 8.150 nan 0.000 0.456 163 V N -0.012 119.872 119.914 -0.051 0.000 2.244 163 V HA -0.246 3.872 4.120 -0.003 0.000 0.244 163 V C 2.745 178.762 176.094 -0.128 0.000 1.042 163 V CA 2.450 64.703 62.300 -0.079 0.000 1.006 163 V CB -2.022 29.718 31.823 -0.139 0.000 0.641 163 V HN 0.710 nan 8.190 nan 0.000 0.446 164 T N -0.436 114.040 114.554 -0.129 0.000 2.592 164 T HA -0.341 4.007 4.350 -0.003 0.000 0.267 164 T C 1.868 176.519 174.700 -0.083 0.000 1.060 164 T CA 1.815 63.845 62.100 -0.116 0.000 1.167 164 T CB -0.463 68.350 68.868 -0.092 0.000 0.863 164 T HN 0.250 nan 8.240 nan 0.000 0.431 165 K N 1.146 121.510 120.400 -0.061 0.000 1.975 165 K HA -0.215 4.103 4.320 -0.003 0.000 0.225 165 K C 2.421 179.004 176.600 -0.028 0.000 1.050 165 K CA 2.268 58.532 56.287 -0.039 0.000 0.992 165 K CB -0.948 31.535 32.500 -0.029 0.000 0.738 165 K HN 0.674 nan 8.250 nan 0.000 0.446 166 E N 0.556 120.748 120.200 -0.013 0.000 2.172 166 E HA -0.244 4.104 4.350 -0.003 0.000 0.213 166 E C 2.029 178.637 176.600 0.013 0.000 1.051 166 E CA 2.273 58.684 56.400 0.018 0.000 0.860 166 E CB -0.321 29.413 29.700 0.057 0.000 0.755 166 E HN 0.382 nan 8.360 nan 0.000 0.462 167 I N 0.445 120.991 120.570 -0.040 0.000 2.193 167 I HA -0.197 3.971 4.170 -0.003 0.000 0.240 167 I C 2.568 178.664 176.117 -0.035 0.000 1.084 167 I CA 1.555 62.821 61.300 -0.056 0.000 1.365 167 I CB -0.360 37.541 38.000 -0.164 0.000 1.064 167 I HN 0.153 nan 8.210 nan 0.000 0.410 168 E N 0.084 120.256 120.200 -0.046 0.000 2.097 168 E HA -0.296 4.052 4.350 -0.003 0.000 0.196 168 E C 2.237 178.826 176.600 -0.018 0.000 1.000 168 E CA 2.114 58.493 56.400 -0.034 0.000 0.804 168 E CB -0.222 29.455 29.700 -0.038 0.000 0.740 168 E HN 0.588 nan 8.360 nan 0.000 0.454 169 T N -1.048 113.500 114.554 -0.010 0.000 2.770 169 T HA -0.096 4.252 4.350 -0.003 0.000 0.263 169 T C 1.969 176.675 174.700 0.009 0.000 1.039 169 T CA 1.916 64.016 62.100 0.000 0.000 1.142 169 T CB -0.196 68.675 68.868 0.005 0.000 0.868 169 T HN 0.168 nan 8.240 nan 0.000 0.435 170 T N -2.043 112.522 114.554 0.019 0.000 2.990 170 T HA 0.579 4.927 4.350 -0.003 0.000 0.249 170 T C 1.774 176.494 174.700 0.033 0.000 1.039 170 T CA 0.556 62.674 62.100 0.031 0.000 1.036 170 T CB 0.159 69.056 68.868 0.048 0.000 0.994 170 T HN 0.805 nan 8.240 nan 0.000 0.489 171 G N 1.840 110.656 108.800 0.027 0.000 4.677 171 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.215 171 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.215 171 G C 0.560 175.500 174.900 0.066 0.000 1.506 171 G CA 0.016 45.131 45.100 0.025 0.000 1.016 171 G HN 0.740 nan 8.290 nan 0.000 0.653 172 T N 1.052 115.667 114.554 0.103 0.000 2.652 172 T HA 0.527 4.876 4.350 -0.003 0.000 0.345 172 T C -0.025 174.864 174.700 0.316 0.000 1.051 172 T CA 1.351 63.564 62.100 0.189 0.000 1.021 172 T CB 0.858 69.794 68.868 0.114 0.000 1.141 172 T HN 2.000 nan 8.240 nan 0.000 0.518 173 Y N -2.854 117.464 120.300 0.029 0.000 2.765 173 Y HA 0.482 5.030 4.550 -0.003 0.000 0.350 173 Y C -1.995 173.947 175.900 0.069 0.000 1.196 173 Y CA -1.534 56.594 58.100 0.047 0.000 1.119 173 Y CB 0.643 39.134 38.460 0.051 0.000 1.368 173 Y HN 0.467 nan 8.280 nan 0.000 0.463 174 Q N 2.438 122.237 119.800 -0.001 0.000 2.309 174 Q HA 0.605 4.943 4.340 -0.003 0.000 0.264 174 Q C -1.324 174.645 176.000 -0.052 0.000 1.008 174 Q CA -0.962 54.791 55.803 -0.082 0.000 0.853 174 Q CB 2.836 31.590 28.738 0.027 0.000 1.314 174 Q HN 0.712 nan 8.270 nan 0.000 0.448 175 L N 0.840 122.049 121.223 -0.023 0.000 2.334 175 L HA 0.384 4.722 4.340 -0.003 0.000 0.277 175 L C 0.882 177.826 176.870 0.123 0.000 1.075 175 L CA -0.622 54.278 54.840 0.101 0.000 0.804 175 L CB 0.499 42.699 42.059 0.233 0.000 1.174 175 L HN 0.649 nan 8.230 nan 0.000 0.438 176 T N 0.127 114.761 114.554 0.134 0.000 2.867 176 T HA 0.121 4.469 4.350 -0.003 0.000 0.297 176 T C 1.334 176.117 174.700 0.138 0.000 0.989 176 T CA -0.248 61.923 62.100 0.119 0.000 1.159 176 T CB 0.198 69.135 68.868 0.114 0.000 0.928 176 T HN 0.706 nan 8.240 nan 0.000 0.538 177 L N 2.528 123.809 121.223 0.097 0.000 2.082 177 L HA -0.272 4.067 4.340 -0.003 0.000 0.223 177 L C 2.362 179.293 176.870 0.102 0.000 1.086 177 L CA 2.698 57.586 54.840 0.080 0.000 0.793 177 L CB -0.771 41.320 42.059 0.052 0.000 0.896 177 L HN 0.930 nan 8.230 nan 0.000 0.441 178 D N -0.466 120.001 120.400 0.112 0.000 2.149 178 D HA -0.267 4.372 4.640 -0.003 0.000 0.194 178 D C 1.862 178.244 176.300 0.136 0.000 1.001 178 D CA 2.124 56.187 54.000 0.106 0.000 0.849 178 D CB -0.084 40.791 40.800 0.126 0.000 0.939 178 D HN 0.713 nan 8.370 nan 0.000 0.449 179 E N 0.559 120.930 120.200 0.285 0.000 2.017 179 E HA -0.168 4.180 4.350 -0.003 0.000 0.193 179 E C 2.531 179.353 176.600 0.370 0.000 0.997 179 E CA 0.355 56.997 56.400 0.403 0.000 0.804 179 E CB -0.434 29.566 29.700 0.499 0.000 0.757 179 E HN 0.293 nan 8.360 nan 0.000 0.448 180 L N 0.985 122.370 121.223 0.270 0.000 2.151 180 L HA -0.267 4.071 4.340 -0.003 0.000 0.215 180 L C 2.339 179.266 176.870 0.096 0.000 1.084 180 L CA 1.059 55.988 54.840 0.147 0.000 0.764 180 L CB -0.170 41.901 42.059 0.020 0.000 0.891 180 L HN 0.169 nan 8.230 nan 0.000 0.435 181 I N -1.111 119.520 120.570 0.102 0.000 2.090 181 I HA -0.370 3.798 4.170 -0.003 0.000 0.236 181 I C 2.245 178.430 176.117 0.113 0.000 1.064 181 I CA 1.785 63.126 61.300 0.068 0.000 1.324 181 I CB -0.433 37.595 38.000 0.046 0.000 1.044 181 I HN 0.197 nan 8.210 nan 0.000 0.399 182 F N 1.415 121.345 119.950 -0.033 0.000 2.225 182 F HA -0.318 4.207 4.527 -0.003 0.000 0.302 182 F C 2.188 178.028 175.800 0.066 0.000 1.068 182 F CA 1.186 59.169 58.000 -0.028 0.000 1.327 182 F CB -0.219 38.649 39.000 -0.220 0.000 1.043 182 F HN 0.078 nan 8.300 nan 0.000 0.506 183 A N 0.622 123.611 122.820 0.282 0.000 1.821 183 A HA -0.209 4.109 4.320 -0.003 0.000 0.215 183 A C 2.332 179.873 177.584 -0.071 0.000 1.216 183 A CA 2.791 54.874 52.037 0.077 0.000 0.615 183 A CB -1.709 17.335 19.000 0.073 0.000 0.862 183 A HN 0.507 nan 8.150 nan 0.000 0.450 184 T N -1.307 113.224 114.554 -0.039 0.000 2.684 184 T HA -0.327 4.021 4.350 -0.003 0.000 0.267 184 T C 1.773 176.577 174.700 0.173 0.000 1.032 184 T CA 2.184 64.309 62.100 0.042 0.000 1.155 184 T CB -0.445 68.448 68.868 0.042 0.000 0.857 184 T HN 0.368 nan 8.240 nan 0.000 0.457 185 K N 0.463 120.932 120.400 0.116 0.000 2.002 185 K HA 0.090 4.409 4.320 -0.003 0.000 0.209 185 K C 2.595 179.308 176.600 0.188 0.000 1.048 185 K CA 1.586 57.999 56.287 0.210 0.000 0.930 185 K CB -0.354 32.198 32.500 0.087 0.000 0.714 185 K HN 0.342 nan 8.250 nan 0.000 0.438 186 M N -0.259 119.278 119.600 -0.105 0.000 2.064 186 M HA -0.042 4.436 4.480 -0.003 0.000 0.260 186 M C 2.327 178.565 176.300 -0.102 0.000 1.073 186 M CA 1.726 56.884 55.300 -0.236 0.000 1.124 186 M CB -1.129 31.203 32.600 -0.447 0.000 1.326 186 M HN 0.193 nan 8.290 nan 0.000 0.410 187 A N -0.233 122.526 122.820 -0.103 0.000 2.054 187 A HA -0.241 4.077 4.320 -0.003 0.000 0.223 187 A C 1.960 179.663 177.584 0.200 0.000 1.169 187 A CA 2.015 53.960 52.037 -0.153 0.000 0.655 187 A CB -1.135 17.459 19.000 -0.677 0.000 0.812 187 A HN 0.756 nan 8.150 nan 0.000 0.462 188 W N 0.197 121.587 121.300 0.149 0.000 2.501 188 W HA 0.027 4.685 4.660 -0.003 0.000 0.309 188 W C 2.100 178.595 176.519 -0.040 0.000 1.165 188 W CA 1.133 58.512 57.345 0.058 0.000 1.381 188 W CB -0.734 28.735 29.460 0.016 0.000 1.142 188 W HN 0.230 nan 8.180 nan 0.000 0.509 189 R N 0.859 121.279 120.500 -0.134 0.000 2.204 189 R HA -0.195 4.143 4.340 -0.003 0.000 0.253 189 R C 0.182 176.305 176.300 -0.296 0.000 1.172 189 R CA 1.434 57.228 56.100 -0.509 0.000 0.994 189 R CB -0.834 28.962 30.300 -0.841 0.000 0.874 189 R HN 0.206 nan 8.270 nan 0.000 0.462 190 N N -0.259 118.360 118.700 -0.136 0.000 2.453 190 N HA 0.139 4.877 4.740 -0.003 0.000 0.270 190 N C -1.008 174.447 175.510 -0.092 0.000 1.195 190 N CA 0.063 53.069 53.050 -0.074 0.000 0.902 190 N CB 1.226 39.714 38.487 0.001 0.000 1.186 190 N HN 0.108 nan 8.380 nan 0.000 0.510 191 A N 1.184 123.969 122.820 -0.058 0.000 2.289 191 A HA 0.481 4.799 4.320 -0.003 0.000 0.298 191 A C -1.347 176.195 177.584 -0.071 0.000 1.208 191 A CA -1.105 50.852 52.037 -0.134 0.000 0.845 191 A CB 1.074 20.094 19.000 0.033 0.000 1.125 191 A HN -0.003 nan 8.150 nan 0.000 0.517 192 P HA -0.020 nan 4.420 nan 0.000 0.222 192 P C 0.260 177.558 177.300 -0.004 0.000 1.157 192 P CA 0.872 63.946 63.100 -0.043 0.000 0.816 192 P CB 0.153 31.828 31.700 -0.043 0.000 0.813 193 R N -0.301 120.171 120.500 -0.046 0.000 3.760 193 R HA 0.512 4.850 4.340 -0.003 0.000 0.310 193 R C -0.606 175.790 176.300 0.160 0.000 1.414 193 R CA -0.341 55.793 56.100 0.056 0.000 1.410 193 R CB -0.715 29.492 30.300 -0.154 0.000 1.459 193 R HN 0.002 nan 8.270 nan 0.000 0.663 194 C N 2.292 121.685 119.300 0.156 0.000 2.599 194 C HA 0.381 4.839 4.460 -0.003 0.000 0.354 194 C C 1.436 176.582 174.990 0.260 0.000 1.092 194 C CA -0.831 58.296 59.018 0.181 0.000 1.280 194 C CB 0.513 28.360 27.740 0.179 0.000 1.829 194 C HN 0.863 nan 8.230 nan 0.000 0.454 195 I N 3.888 124.570 120.570 0.187 0.000 2.676 195 I HA 0.100 4.268 4.170 -0.003 0.000 0.259 195 I C 2.154 178.493 176.117 0.370 0.000 1.194 195 I CA 1.607 63.102 61.300 0.326 0.000 1.473 195 I CB -1.073 36.991 38.000 0.107 0.000 1.096 195 I HN 0.861 nan 8.210 nan 0.000 0.443 196 G N 2.211 111.146 108.800 0.225 0.000 2.491 196 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.218 196 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.218 196 G C 1.612 176.628 174.900 0.195 0.000 1.180 196 G CA 0.623 45.834 45.100 0.185 0.000 0.774 196 G HN 0.368 nan 8.290 nan 0.000 0.562 197 R N 0.082 120.732 120.500 0.250 0.000 2.502 197 R HA -0.263 4.076 4.340 -0.003 0.000 0.268 197 R C 2.230 178.028 176.300 -0.837 0.000 1.184 197 R CA 1.339 57.252 56.100 -0.311 0.000 1.064 197 R CB -1.052 29.088 30.300 -0.268 0.000 0.834 197 R HN 0.595 nan 8.270 nan 0.000 0.522 198 I N 1.578 121.757 120.570 -0.652 0.000 2.916 198 I HA -0.200 3.968 4.170 -0.003 0.000 0.267 198 I C 1.243 177.228 176.117 -0.219 0.000 1.263 198 I CA 1.423 62.364 61.300 -0.598 0.000 1.471 198 I CB -0.089 37.778 38.000 -0.221 0.000 1.089 198 I HN 0.224 nan 8.210 nan 0.000 0.468 199 Q N -0.491 119.161 119.800 -0.247 0.000 2.144 199 Q HA 0.068 4.406 4.340 -0.003 0.000 0.305 199 Q C 0.706 176.288 176.000 -0.696 0.000 0.876 199 Q CA -0.566 55.062 55.803 -0.292 0.000 1.130 199 Q CB -0.792 27.931 28.738 -0.026 0.000 1.267 199 Q HN 0.634 nan 8.270 nan 0.000 0.433 200 W N 0.660 121.140 121.300 -1.367 0.000 2.331 200 W HA -0.179 4.479 4.660 -0.003 0.000 0.291 200 W C 1.074 177.143 176.519 -0.750 0.000 1.214 200 W CA 1.222 57.177 57.345 -2.316 0.000 1.228 200 W CB -1.487 26.973 29.460 -1.668 0.000 1.135 200 W HN 0.319 nan 8.180 nan 0.000 0.537 201 S N 1.850 116.341 115.700 -2.015 0.000 2.413 201 S HA -0.296 4.173 4.470 -0.003 0.000 0.237 201 S C 0.446 174.660 174.600 -0.643 0.000 1.044 201 S CA 1.650 58.902 58.200 -1.579 0.000 1.024 201 S CB -1.322 61.150 63.200 -1.214 0.000 0.829 201 S HN 0.582 nan 8.310 nan 0.000 0.475 202 N N 0.419 118.925 118.700 -0.324 0.000 2.504 202 N HA 0.629 5.367 4.740 -0.003 0.000 0.280 202 N C -1.147 174.421 175.510 0.097 0.000 1.052 202 N CA -0.907 52.090 53.050 -0.088 0.000 0.887 202 N CB 1.692 40.141 38.487 -0.062 0.000 1.323 202 N HN 0.242 nan 8.380 nan 0.000 0.509 203 L N -0.201 121.069 121.223 0.078 0.000 2.359 203 L HA 0.614 4.953 4.340 -0.003 0.000 0.256 203 L C -1.430 175.413 176.870 -0.044 0.000 1.026 203 L CA -0.503 54.371 54.840 0.057 0.000 0.828 203 L CB 2.265 44.396 42.059 0.119 0.000 1.406 203 L HN 0.514 nan 8.230 nan 0.000 0.413 204 Q N 1.785 121.494 119.800 -0.152 0.000 2.325 204 Q HA 0.563 4.901 4.340 -0.003 0.000 0.262 204 Q C -1.290 174.459 176.000 -0.419 0.000 0.968 204 Q CA -0.554 55.062 55.803 -0.312 0.000 0.877 204 Q CB 1.943 30.336 28.738 -0.575 0.000 1.253 204 Q HN 0.604 nan 8.270 nan 0.000 0.448 205 V N 1.271 121.038 119.914 -0.244 0.000 2.370 205 V HA 0.478 4.596 4.120 -0.003 0.000 0.279 205 V C -0.422 175.701 176.094 0.048 0.000 1.029 205 V CA -0.769 61.438 62.300 -0.155 0.000 0.870 205 V CB 0.613 32.402 31.823 -0.057 0.000 0.984 205 V HN 0.439 nan 8.190 nan 0.000 0.451 206 F N 2.634 122.515 119.950 -0.115 0.000 2.308 206 F HA 0.376 4.901 4.527 -0.003 0.000 0.370 206 F C 1.053 176.806 175.800 -0.078 0.000 1.100 206 F CA -1.512 56.441 58.000 -0.078 0.000 1.108 206 F CB 1.000 39.968 39.000 -0.055 0.000 1.293 206 F HN 0.623 nan 8.300 nan 0.000 0.478 207 D N 3.330 123.798 120.400 0.113 0.000 2.906 207 D HA -0.012 4.627 4.640 -0.003 0.000 0.237 207 D C 1.364 177.616 176.300 -0.080 0.000 1.201 207 D CA 0.168 54.169 54.000 0.001 0.000 0.998 207 D CB 0.112 40.916 40.800 0.007 0.000 1.183 207 D HN 0.525 nan 8.370 nan 0.000 0.436 208 A N 0.900 123.618 122.820 -0.170 0.000 2.207 208 A HA -0.111 4.207 4.320 -0.003 0.000 0.205 208 A C 2.064 179.352 177.584 -0.495 0.000 1.310 208 A CA 0.093 51.776 52.037 -0.589 0.000 0.926 208 A CB -0.339 18.115 19.000 -0.910 0.000 0.778 208 A HN 0.324 nan 8.150 nan 0.000 0.497 209 R N 0.681 121.023 120.500 -0.264 0.000 2.094 209 R HA -0.233 4.106 4.340 -0.003 0.000 0.239 209 R C 1.820 177.963 176.300 -0.262 0.000 1.137 209 R CA 1.831 57.794 56.100 -0.228 0.000 0.943 209 R CB -0.535 29.707 30.300 -0.096 0.000 0.850 209 R HN 0.862 nan 8.270 nan 0.000 0.433 210 N N 0.547 119.141 118.700 -0.177 0.000 2.513 210 N HA -0.135 4.604 4.740 -0.003 0.000 0.187 210 N C 0.652 176.071 175.510 -0.152 0.000 1.056 210 N CA 0.539 53.517 53.050 -0.119 0.000 0.907 210 N CB -0.643 37.811 38.487 -0.054 0.000 0.954 210 N HN 0.111 nan 8.380 nan 0.000 0.445 211 C N -0.145 118.969 119.300 -0.311 0.000 2.812 211 C HA 0.173 4.631 4.460 -0.003 0.000 0.395 211 C C 1.588 176.526 174.990 -0.087 0.000 1.256 211 C CA 0.862 59.696 59.018 -0.307 0.000 1.962 211 C CB -0.189 27.098 27.740 -0.757 0.000 2.701 211 C HN 0.763 nan 8.230 nan 0.000 0.702 212 S N -0.515 115.244 115.700 0.098 0.000 2.290 212 S HA 0.132 4.601 4.470 -0.003 0.000 0.266 212 S C -0.117 174.584 174.600 0.167 0.000 0.995 212 S CA 0.011 58.348 58.200 0.227 0.000 1.482 212 S CB -0.144 63.116 63.200 0.100 0.000 1.176 212 S HN 0.807 nan 8.310 nan 0.000 0.599 213 T N 1.454 116.080 114.554 0.120 0.000 2.912 213 T HA 0.839 5.187 4.350 -0.003 0.000 0.288 213 T C 1.366 176.127 174.700 0.101 0.000 1.030 213 T CA -0.251 61.901 62.100 0.087 0.000 1.020 213 T CB 1.706 70.621 68.868 0.078 0.000 1.056 213 T HN 0.268 nan 8.240 nan 0.000 0.480 214 A N 1.478 124.360 122.820 0.104 0.000 1.851 214 A HA -0.191 4.128 4.320 -0.003 0.000 0.216 214 A C 2.247 179.879 177.584 0.081 0.000 1.195 214 A CA 2.217 54.332 52.037 0.130 0.000 0.622 214 A CB -1.068 18.086 19.000 0.257 0.000 0.831 214 A HN 0.866 nan 8.150 nan 0.000 0.444 215 Q N -0.149 119.786 119.800 0.224 0.000 2.234 215 Q HA -0.211 4.128 4.340 -0.003 0.000 0.206 215 Q C 1.768 177.813 176.000 0.076 0.000 0.980 215 Q CA 2.269 58.200 55.803 0.215 0.000 0.869 215 Q CB -0.327 28.601 28.738 0.317 0.000 0.912 215 Q HN 0.751 nan 8.270 nan 0.000 0.436 216 E N -0.716 119.526 120.200 0.071 0.000 2.106 216 E HA -0.141 4.207 4.350 -0.003 0.000 0.192 216 E C 1.736 178.386 176.600 0.085 0.000 0.984 216 E CA 1.268 57.696 56.400 0.046 0.000 0.806 216 E CB -0.047 29.684 29.700 0.051 0.000 0.750 216 E HN 0.458 nan 8.360 nan 0.000 0.458 217 M N -0.098 119.553 119.600 0.085 0.000 2.126 217 M HA -0.154 4.325 4.480 -0.003 0.000 0.259 217 M C 2.077 178.573 176.300 0.327 0.000 1.073 217 M CA 1.329 56.743 55.300 0.189 0.000 1.103 217 M CB -0.674 32.138 32.600 0.354 0.000 1.284 217 M HN 0.236 nan 8.290 nan 0.000 0.420 218 F N 2.186 122.063 119.950 -0.122 0.000 2.077 218 F HA -0.416 4.110 4.527 -0.003 0.000 0.292 218 F C 2.464 178.237 175.800 -0.046 0.000 1.120 218 F CA 2.500 60.355 58.000 -0.242 0.000 1.246 218 F CB -1.428 37.188 39.000 -0.640 0.000 0.941 218 F HN 0.359 nan 8.300 nan 0.000 0.514 219 Q N -0.853 118.876 119.800 -0.117 0.000 2.082 219 Q HA -0.332 4.006 4.340 -0.003 0.000 0.211 219 Q C 2.022 177.998 176.000 -0.039 0.000 1.002 219 Q CA 2.389 58.047 55.803 -0.242 0.000 0.868 219 Q CB -1.245 27.333 28.738 -0.268 0.000 0.931 219 Q HN 0.661 nan 8.270 nan 0.000 0.414 220 H N 0.339 119.435 119.070 0.044 0.000 2.426 220 H HA -0.113 4.441 4.556 -0.003 0.000 0.298 220 H C 2.039 177.500 175.328 0.222 0.000 1.107 220 H CA 1.572 57.689 56.048 0.114 0.000 1.298 220 H CB -0.001 29.860 29.762 0.164 0.000 1.377 220 H HN 0.186 nan 8.280 nan 0.000 0.519 221 I N -0.584 120.225 120.570 0.398 0.000 2.110 221 I HA -0.344 3.825 4.170 -0.003 0.000 0.236 221 I C 2.223 178.512 176.117 0.286 0.000 1.068 221 I CA 1.110 62.602 61.300 0.320 0.000 1.333 221 I CB -0.154 38.001 38.000 0.258 0.000 1.054 221 I HN 0.418 nan 8.210 nan 0.000 0.402 222 C N 0.296 119.737 119.300 0.235 0.000 2.391 222 C HA -0.229 4.230 4.460 -0.003 0.000 0.276 222 C C 2.871 177.939 174.990 0.131 0.000 1.217 222 C CA 0.819 59.931 59.018 0.156 0.000 1.766 222 C CB -1.466 26.320 27.740 0.077 0.000 2.046 222 C HN 0.464 nan 8.230 nan 0.000 0.475 223 R N 0.102 120.666 120.500 0.107 0.000 2.096 223 R HA -0.186 4.152 4.340 -0.003 0.000 0.240 223 R C 2.334 178.800 176.300 0.276 0.000 1.139 223 R CA 1.969 58.113 56.100 0.073 0.000 0.952 223 R CB -0.847 29.400 30.300 -0.088 0.000 0.854 223 R HN 0.764 nan 8.270 nan 0.000 0.436 224 H N 0.277 119.528 119.070 0.302 0.000 2.253 224 H HA -0.130 4.424 4.556 -0.003 0.000 0.296 224 H C 2.334 177.832 175.328 0.283 0.000 1.067 224 H CA 2.213 58.538 56.048 0.461 0.000 1.245 224 H CB -0.232 29.720 29.762 0.318 0.000 1.364 224 H HN 0.163 nan 8.280 nan 0.000 0.494 225 I N 1.024 121.639 120.570 0.074 0.000 2.103 225 I HA -0.376 3.793 4.170 -0.003 0.000 0.241 225 I C 2.974 179.081 176.117 -0.017 0.000 1.036 225 I CA 1.278 62.545 61.300 -0.056 0.000 1.300 225 I CB -0.439 37.566 38.000 0.009 0.000 1.010 225 I HN 0.405 nan 8.210 nan 0.000 0.406 226 L N -0.099 121.160 121.223 0.059 0.000 2.012 226 L HA -0.299 4.040 4.340 -0.003 0.000 0.210 226 L C 2.678 179.590 176.870 0.070 0.000 1.073 226 L CA 2.207 57.077 54.840 0.050 0.000 0.748 226 L CB -0.687 41.407 42.059 0.059 0.000 0.891 226 L HN 0.321 nan 8.230 nan 0.000 0.431 227 Y N 0.453 120.791 120.300 0.063 0.000 2.145 227 Y HA -0.240 4.308 4.550 -0.003 0.000 0.286 227 Y C 2.479 178.388 175.900 0.014 0.000 1.145 227 Y CA 1.929 60.092 58.100 0.105 0.000 1.148 227 Y CB -0.305 38.352 38.460 0.328 0.000 0.981 227 Y HN 0.244 nan 8.280 nan 0.000 0.507 228 A N -0.165 122.716 122.820 0.101 0.000 1.851 228 A HA -0.237 4.082 4.320 -0.003 0.000 0.216 228 A C 2.238 179.763 177.584 -0.100 0.000 1.195 228 A CA 2.622 54.622 52.037 -0.063 0.000 0.622 228 A CB -1.542 17.282 19.000 -0.294 0.000 0.831 228 A HN 0.517 nan 8.150 nan 0.000 0.444 229 T N -0.343 114.157 114.554 -0.090 0.000 2.597 229 T HA -0.215 4.134 4.350 -0.003 0.000 0.267 229 T C 1.153 175.802 174.700 -0.085 0.000 1.053 229 T CA 1.910 63.970 62.100 -0.068 0.000 1.165 229 T CB -0.510 68.324 68.868 -0.057 0.000 0.863 229 T HN 0.681 nan 8.240 nan 0.000 0.427 230 N N 1.577 120.208 118.700 -0.115 0.000 2.727 230 N HA -0.240 4.498 4.740 -0.003 0.000 0.249 230 N C -0.204 175.251 175.510 -0.092 0.000 1.048 230 N CA 0.922 53.893 53.050 -0.132 0.000 0.714 230 N CB -2.224 36.151 38.487 -0.186 0.000 0.959 230 N HN 0.670 nan 8.380 nan 0.000 0.544 231 N N -1.230 117.426 118.700 -0.073 0.000 2.641 231 N HA -0.233 4.505 4.740 -0.003 0.000 0.267 231 N C 1.117 176.583 175.510 -0.072 0.000 1.087 231 N CA 1.325 54.335 53.050 -0.066 0.000 0.731 231 N CB -1.186 37.265 38.487 -0.061 0.000 0.886 231 N HN 1.042 nan 8.380 nan 0.000 0.547 232 G N 1.718 110.476 108.800 -0.071 0.000 2.990 232 G HA2 -0.407 3.552 3.960 -0.003 0.000 0.225 232 G HA3 -0.407 3.552 3.960 -0.003 0.000 0.225 232 G C 0.083 174.947 174.900 -0.060 0.000 1.304 232 G CA 0.560 45.615 45.100 -0.075 0.000 0.816 232 G HN 0.750 nan 8.290 nan 0.000 0.528 233 N N 1.973 120.629 118.700 -0.074 0.000 2.605 233 N HA 0.299 5.037 4.740 -0.003 0.000 0.282 233 N C 0.731 176.202 175.510 -0.066 0.000 1.206 233 N CA -0.470 52.530 53.050 -0.083 0.000 1.074 233 N CB -0.276 38.158 38.487 -0.089 0.000 1.434 233 N HN 0.411 nan 8.380 nan 0.000 0.506 234 I N 2.201 122.759 120.570 -0.020 0.000 2.752 234 I HA 0.012 4.180 4.170 -0.003 0.000 0.287 234 I C 0.699 176.895 176.117 0.132 0.000 1.188 234 I CA 0.584 61.923 61.300 0.064 0.000 1.427 234 I CB 0.459 38.574 38.000 0.191 0.000 1.365 234 I HN 0.458 nan 8.210 nan 0.000 0.585 235 R N 3.415 123.977 120.500 0.103 0.000 2.575 235 R HA 0.325 4.663 4.340 -0.003 0.000 0.293 235 R C -0.687 175.700 176.300 0.145 0.000 0.983 235 R CA -0.558 55.630 56.100 0.148 0.000 0.887 235 R CB 2.248 32.537 30.300 -0.019 0.000 1.184 235 R HN 0.757 nan 8.270 nan 0.000 0.445 236 S N 1.287 117.054 115.700 0.111 0.000 2.537 236 S HA 0.797 5.266 4.470 -0.003 0.000 0.275 236 S C -0.263 174.309 174.600 -0.045 0.000 1.272 236 S CA -0.709 57.451 58.200 -0.067 0.000 1.050 236 S CB 1.886 64.907 63.200 -0.298 0.000 0.961 236 S HN 0.703 nan 8.310 nan 0.000 0.496 237 A N 2.236 125.017 122.820 -0.064 0.000 2.602 237 A HA 0.856 5.175 4.320 -0.003 0.000 0.290 237 A C -1.273 176.285 177.584 -0.044 0.000 1.114 237 A CA -0.899 51.055 52.037 -0.139 0.000 0.683 237 A CB 1.241 20.043 19.000 -0.331 0.000 1.281 237 A HN 1.112 nan 8.150 nan 0.000 0.416 238 I N 0.399 120.764 120.570 -0.342 0.000 2.722 238 I HA 0.705 4.874 4.170 -0.003 0.000 0.295 238 I C -0.571 175.256 176.117 -0.483 0.000 1.161 238 I CA -0.181 60.894 61.300 -0.375 0.000 1.032 238 I CB 2.487 40.370 38.000 -0.195 0.000 1.244 238 I HN 0.858 nan 8.210 nan 0.000 0.421 239 T N 5.024 119.301 114.554 -0.462 0.000 2.864 239 T HA 0.484 4.832 4.350 -0.003 0.000 0.310 239 T C -0.573 174.052 174.700 -0.125 0.000 1.040 239 T CA -0.564 61.440 62.100 -0.160 0.000 0.977 239 T CB 0.796 69.669 68.868 0.008 0.000 0.976 239 T HN 0.289 nan 8.240 nan 0.000 0.459 240 V N 6.404 126.266 119.914 -0.086 0.000 2.381 240 V HA 0.276 4.394 4.120 -0.003 0.000 0.257 240 V C 0.361 176.470 176.094 0.026 0.000 1.057 240 V CA -0.504 61.712 62.300 -0.141 0.000 1.013 240 V CB -1.474 30.158 31.823 -0.318 0.000 1.069 240 V HN 0.707 nan 8.190 nan 0.000 0.484 241 F N 6.816 126.629 119.950 -0.228 0.000 2.299 241 F HA 0.410 4.936 4.527 -0.003 0.000 0.293 241 F C -1.544 174.081 175.800 -0.291 0.000 1.252 241 F CA -2.310 55.509 58.000 -0.303 0.000 1.160 241 F CB -0.044 38.827 39.000 -0.216 0.000 1.405 241 F HN 0.292 nan 8.300 nan 0.000 0.517 242 P HA 0.052 nan 4.420 nan 0.000 0.271 242 P C -0.771 176.570 177.300 0.069 0.000 1.216 242 P CA -0.302 62.639 63.100 -0.266 0.000 0.776 242 P CB 0.415 31.742 31.700 -0.621 0.000 0.881 243 Q N 3.057 123.001 119.800 0.240 0.000 2.870 243 Q HA 0.081 4.420 4.340 -0.003 0.000 0.193 243 Q C -0.082 175.937 176.000 0.032 0.000 1.148 243 Q CA -0.118 55.726 55.803 0.068 0.000 1.212 243 Q CB 0.268 28.796 28.738 -0.351 0.000 1.290 243 Q HN 0.322 nan 8.270 nan 0.000 0.686 244 R N -0.439 120.008 120.500 -0.089 0.000 2.457 244 R HA 0.185 4.524 4.340 -0.003 0.000 0.284 244 R C 0.104 176.407 176.300 0.004 0.000 1.024 244 R CA 0.558 56.656 56.100 -0.005 0.000 1.025 244 R CB 1.165 31.434 30.300 -0.051 0.000 1.063 244 R HN 0.899 nan 8.270 nan 0.000 0.493 245 S N 0.959 116.691 115.700 0.054 0.000 3.152 245 S HA 0.028 4.496 4.470 -0.003 0.000 0.173 245 S C 0.779 175.378 174.600 -0.001 0.000 0.751 245 S CA 0.108 58.338 58.200 0.050 0.000 0.933 245 S CB -0.182 63.096 63.200 0.129 0.000 0.877 245 S HN 0.733 nan 8.310 nan 0.000 0.766 246 D N 0.672 121.041 120.400 -0.052 0.000 2.348 246 D HA 0.242 4.881 4.640 -0.003 0.000 0.211 246 D C 1.436 177.680 176.300 -0.092 0.000 0.998 246 D CA 0.928 54.866 54.000 -0.104 0.000 0.873 246 D CB -0.533 40.135 40.800 -0.219 0.000 0.925 246 D HN 1.096 nan 8.370 nan 0.000 0.524 247 G N 0.927 109.692 108.800 -0.059 0.000 2.143 247 G HA2 -0.348 3.610 3.960 -0.003 0.000 0.249 247 G HA3 -0.348 3.610 3.960 -0.003 0.000 0.249 247 G C 0.847 175.723 174.900 -0.041 0.000 0.981 247 G CA 0.546 45.628 45.100 -0.030 0.000 0.665 247 G HN 0.512 nan 8.290 nan 0.000 0.528 248 K N -0.542 119.795 120.400 -0.106 0.000 2.438 248 K HA 0.287 4.606 4.320 -0.003 0.000 0.206 248 K C 0.750 177.364 176.600 0.024 0.000 1.081 248 K CA -0.074 56.150 56.287 -0.105 0.000 1.053 248 K CB 0.352 32.725 32.500 -0.212 0.000 0.908 248 K HN 0.304 nan 8.250 nan 0.000 0.556 249 H N 0.581 119.676 119.070 0.041 0.000 2.502 249 H HA 0.262 4.816 4.556 -0.003 0.000 0.268 249 H C -0.945 174.443 175.328 0.099 0.000 1.177 249 H CA -0.849 55.230 56.048 0.053 0.000 0.961 249 H CB -0.183 29.625 29.762 0.076 0.000 1.737 249 H HN 0.097 nan 8.280 nan 0.000 0.569 250 D N 0.143 120.656 120.400 0.188 0.000 2.399 250 D HA 0.023 4.661 4.640 -0.003 0.000 0.241 250 D C -0.187 176.216 176.300 0.172 0.000 1.133 250 D CA 0.388 54.504 54.000 0.193 0.000 0.890 250 D CB 0.703 41.588 40.800 0.142 0.000 1.201 250 D HN 0.105 nan 8.370 nan 0.000 0.432 251 F N 2.510 122.559 119.950 0.165 0.000 2.375 251 F HA 0.378 4.903 4.527 -0.003 0.000 0.361 251 F C 0.511 176.435 175.800 0.207 0.000 1.117 251 F CA -0.495 57.624 58.000 0.199 0.000 1.037 251 F CB 0.803 39.941 39.000 0.231 0.000 1.192 251 F HN -0.078 nan 8.300 nan 0.000 0.452 252 R N 5.246 125.926 120.500 0.300 0.000 2.584 252 R HA 0.488 4.827 4.340 -0.003 0.000 0.276 252 R C -1.440 175.052 176.300 0.321 0.000 1.046 252 R CA -0.949 55.325 56.100 0.290 0.000 0.906 252 R CB 2.644 33.097 30.300 0.254 0.000 1.215 252 R HN 0.631 nan 8.270 nan 0.000 0.449 253 L N -0.412 120.960 121.223 0.248 0.000 2.280 253 L HA 0.555 4.894 4.340 -0.003 0.000 0.287 253 L C -0.507 176.561 176.870 0.330 0.000 1.023 253 L CA -0.713 54.252 54.840 0.208 0.000 0.819 253 L CB 0.754 42.837 42.059 0.040 0.000 1.212 253 L HN 0.594 nan 8.230 nan 0.000 0.420 254 W N 3.156 124.482 121.300 0.043 0.000 1.670 254 W HA 0.280 4.939 4.660 -0.003 0.000 0.472 254 W C -0.156 176.281 176.519 -0.137 0.000 0.610 254 W CA -0.507 56.894 57.345 0.094 0.000 2.501 254 W CB -1.432 28.213 29.460 0.309 0.000 0.976 254 W HN 0.579 nan 8.180 nan 0.000 0.424 255 N N -0.974 117.708 118.700 -0.030 0.000 2.258 255 N HA 0.163 4.902 4.740 -0.003 0.000 0.299 255 N C 0.968 176.319 175.510 -0.264 0.000 1.047 255 N CA -0.404 52.465 53.050 -0.302 0.000 0.814 255 N CB 1.711 40.083 38.487 -0.192 0.000 1.413 255 N HN -0.210 nan 8.380 nan 0.000 0.478 256 S N 0.995 116.495 115.700 -0.333 0.000 2.359 256 S HA -0.163 4.305 4.470 -0.003 0.000 0.224 256 S C 0.584 175.050 174.600 -0.223 0.000 1.035 256 S CA 1.088 59.155 58.200 -0.222 0.000 1.018 256 S CB -0.328 62.767 63.200 -0.175 0.000 0.876 256 S HN 0.780 nan 8.310 nan 0.000 0.448 257 Q N -1.298 118.354 119.800 -0.246 0.000 2.575 257 Q HA 0.443 4.782 4.340 -0.003 0.000 0.290 257 Q C -0.131 175.690 176.000 -0.298 0.000 0.963 257 Q CA -0.937 54.696 55.803 -0.283 0.000 0.783 257 Q CB 0.576 29.145 28.738 -0.282 0.000 1.467 257 Q HN -0.040 nan 8.270 nan 0.000 0.402 258 L N 0.484 121.525 121.223 -0.304 0.000 1.951 258 L HA -0.048 4.290 4.340 -0.003 0.000 0.222 258 L C 0.878 177.540 176.870 -0.347 0.000 1.078 258 L CA 1.974 56.651 54.840 -0.271 0.000 0.778 258 L CB -0.652 41.273 42.059 -0.223 0.000 0.893 258 L HN 0.682 nan 8.230 nan 0.000 0.436 259 I N -0.550 119.705 120.570 -0.525 0.000 2.377 259 I HA 0.414 4.583 4.170 -0.003 0.000 0.293 259 I C 0.042 175.518 176.117 -1.068 0.000 0.987 259 I CA -0.134 60.729 61.300 -0.729 0.000 1.185 259 I CB 1.276 38.791 38.000 -0.809 0.000 1.341 259 I HN 0.059 nan 8.210 nan 0.000 0.455 260 R N 5.147 125.195 120.500 -0.753 0.000 2.678 260 R HA 0.229 4.567 4.340 -0.003 0.000 0.267 260 R C -1.644 174.514 176.300 -0.237 0.000 1.173 260 R CA -0.955 54.872 56.100 -0.455 0.000 1.061 260 R CB 1.343 31.521 30.300 -0.203 0.000 1.262 260 R HN 0.458 nan 8.270 nan 0.000 0.427 261 Y N 1.442 121.723 120.300 -0.032 0.000 2.702 261 Y HA 0.110 4.658 4.550 -0.003 0.000 0.336 261 Y C 1.638 177.562 175.900 0.041 0.000 1.235 261 Y CA 0.849 58.982 58.100 0.055 0.000 1.492 261 Y CB 0.331 38.905 38.460 0.190 0.000 1.308 261 Y HN 0.671 nan 8.280 nan 0.000 0.589 262 A N 2.010 124.905 122.820 0.126 0.000 2.206 262 A HA 0.491 4.809 4.320 -0.003 0.000 0.286 262 A C 0.978 178.487 177.584 -0.125 0.000 1.334 262 A CA 0.329 52.266 52.037 -0.167 0.000 0.843 262 A CB -0.787 17.963 19.000 -0.416 0.000 1.169 262 A HN 1.210 nan 8.150 nan 0.000 0.511 263 G N -1.956 106.610 108.800 -0.389 0.000 4.314 263 G HA2 0.455 4.413 3.960 -0.003 0.000 0.249 263 G HA3 0.455 4.413 3.960 -0.003 0.000 0.249 263 G C -0.829 174.002 174.900 -0.115 0.000 3.443 263 G CA -0.616 44.402 45.100 -0.137 0.000 0.602 263 G HN 0.530 nan 8.290 nan 0.000 0.241 264 Y N 0.424 120.821 120.300 0.161 0.000 2.411 264 Y HA 0.423 4.972 4.550 -0.003 0.000 0.333 264 Y C 0.879 176.873 175.900 0.156 0.000 1.186 264 Y CA -1.235 56.985 58.100 0.199 0.000 1.381 264 Y CB 0.903 39.575 38.460 0.353 0.000 1.273 264 Y HN 0.458 nan 8.280 nan 0.000 0.546 265 Q N 2.449 122.415 119.800 0.276 0.000 2.509 265 Q HA 0.417 4.755 4.340 -0.003 0.000 0.230 265 Q C -0.720 175.374 176.000 0.157 0.000 1.089 265 Q CA -0.438 55.470 55.803 0.176 0.000 0.901 265 Q CB 0.606 29.418 28.738 0.123 0.000 1.208 265 Q HN 0.772 nan 8.270 nan 0.000 0.529 266 M N 4.546 124.228 119.600 0.137 0.000 2.235 266 M HA 0.005 4.483 4.480 -0.003 0.000 0.316 266 M C -1.511 174.798 176.300 0.014 0.000 1.035 266 M CA -0.852 54.477 55.300 0.047 0.000 1.084 266 M CB 0.572 33.185 32.600 0.021 0.000 1.529 266 M HN 0.522 nan 8.290 nan 0.000 0.440 267 P HA -0.223 nan 4.420 nan 0.000 0.212 267 P C -0.154 177.140 177.300 -0.009 0.000 1.174 267 P CA 1.596 64.679 63.100 -0.029 0.000 0.934 267 P CB -0.523 31.139 31.700 -0.064 0.000 0.791 268 D N -0.590 119.802 120.400 -0.014 0.000 2.895 268 D HA 0.001 4.639 4.640 -0.003 0.000 0.235 268 D C 1.362 177.669 176.300 0.011 0.000 1.205 268 D CA 0.956 54.955 54.000 -0.003 0.000 1.047 268 D CB -1.634 39.161 40.800 -0.007 0.000 1.192 268 D HN 0.416 nan 8.370 nan 0.000 0.437 269 G N 0.274 109.085 108.800 0.018 0.000 2.249 269 G HA2 -0.401 3.557 3.960 -0.003 0.000 0.269 269 G HA3 -0.401 3.557 3.960 -0.003 0.000 0.269 269 G C 0.817 175.738 174.900 0.035 0.000 0.979 269 G CA 1.169 46.286 45.100 0.028 0.000 0.644 269 G HN 0.553 nan 8.290 nan 0.000 0.546 270 T N -0.183 114.391 114.554 0.032 0.000 2.895 270 T HA 0.541 4.889 4.350 -0.003 0.000 0.386 270 T C 0.592 175.327 174.700 0.057 0.000 1.112 270 T CA 0.681 62.805 62.100 0.040 0.000 1.070 270 T CB 0.888 69.775 68.868 0.033 0.000 1.319 270 T HN 0.570 nan 8.240 nan 0.000 0.519 271 I N 0.257 120.867 120.570 0.066 0.000 2.750 271 I HA 0.205 4.373 4.170 -0.003 0.000 0.284 271 I C -0.676 175.492 176.117 0.085 0.000 1.498 271 I CA -0.709 60.642 61.300 0.085 0.000 1.078 271 I CB 1.760 39.799 38.000 0.066 0.000 1.423 271 I HN 0.424 nan 8.210 nan 0.000 0.423 272 R N 2.795 123.386 120.500 0.152 0.000 2.700 272 R HA 0.625 4.963 4.340 -0.003 0.000 0.253 272 R C 0.991 177.359 176.300 0.114 0.000 1.091 272 R CA 0.398 56.596 56.100 0.164 0.000 1.104 272 R CB 0.970 31.447 30.300 0.294 0.000 1.202 272 R HN 0.854 nan 8.270 nan 0.000 0.532 273 G N 0.846 109.705 108.800 0.099 0.000 2.987 273 G HA2 -0.351 3.607 3.960 -0.003 0.000 0.363 273 G HA3 -0.351 3.607 3.960 -0.003 0.000 0.363 273 G C -0.139 174.455 174.900 -0.511 0.000 1.224 273 G CA 1.326 46.449 45.100 0.038 0.000 1.042 273 G HN 0.594 nan 8.290 nan 0.000 0.644 274 D N 0.223 120.525 120.400 -0.163 0.000 2.575 274 D HA 0.665 5.303 4.640 -0.003 0.000 0.250 274 D C 0.965 177.273 176.300 0.015 0.000 1.279 274 D CA 0.503 54.425 54.000 -0.130 0.000 0.925 274 D CB 1.032 42.001 40.800 0.282 0.000 1.261 274 D HN 0.631 nan 8.370 nan 0.000 0.567 275 A N 3.409 126.233 122.820 0.006 0.000 2.019 275 A HA 0.045 4.363 4.320 -0.003 0.000 0.219 275 A C 2.101 179.743 177.584 0.096 0.000 1.164 275 A CA 1.814 53.886 52.037 0.058 0.000 0.644 275 A CB -0.364 18.674 19.000 0.063 0.000 0.805 275 A HN 0.642 nan 8.150 nan 0.000 0.449 276 A N -0.034 122.858 122.820 0.119 0.000 1.869 276 A HA -0.188 4.130 4.320 -0.003 0.000 0.218 276 A C 2.171 179.832 177.584 0.128 0.000 1.203 276 A CA 2.410 54.525 52.037 0.130 0.000 0.638 276 A CB -1.570 17.520 19.000 0.150 0.000 0.831 276 A HN 0.975 nan 8.150 nan 0.000 0.450 277 T N -1.961 112.672 114.554 0.132 0.000 3.535 277 T HA 0.425 4.773 4.350 -0.003 0.000 0.238 277 T C 1.034 175.788 174.700 0.090 0.000 0.909 277 T CA 0.180 62.359 62.100 0.133 0.000 0.928 277 T CB -0.490 68.461 68.868 0.138 0.000 1.134 277 T HN 0.289 nan 8.240 nan 0.000 0.627 278 L N -0.155 121.121 121.223 0.089 0.000 2.095 278 L HA 0.123 4.462 4.340 -0.003 0.000 0.204 278 L C 2.920 179.816 176.870 0.043 0.000 1.080 278 L CA 1.344 56.219 54.840 0.059 0.000 0.759 278 L CB -0.199 41.909 42.059 0.081 0.000 0.914 278 L HN 0.461 nan 8.230 nan 0.000 0.439 279 E N -0.473 119.772 120.200 0.075 0.000 2.107 279 E HA -0.246 4.103 4.350 -0.003 0.000 0.191 279 E C 2.125 178.695 176.600 -0.051 0.000 0.982 279 E CA 0.939 57.361 56.400 0.037 0.000 0.809 279 E CB -0.013 29.748 29.700 0.103 0.000 0.756 279 E HN 0.348 nan 8.360 nan 0.000 0.459 280 F N 1.924 121.755 119.950 -0.199 0.000 2.113 280 F HA -0.172 4.353 4.527 -0.003 0.000 0.297 280 F C 2.357 178.002 175.800 -0.259 0.000 1.103 280 F CA 2.138 59.953 58.000 -0.307 0.000 1.248 280 F CB -0.843 38.022 39.000 -0.226 0.000 0.999 280 F HN 0.032 nan 8.300 nan 0.000 0.475 281 T N -1.043 113.306 114.554 -0.342 0.000 2.737 281 T HA -0.323 4.026 4.350 -0.003 0.000 0.269 281 T C 1.775 176.266 174.700 -0.348 0.000 1.040 281 T CA 1.509 63.330 62.100 -0.466 0.000 1.142 281 T CB -0.708 67.960 68.868 -0.333 0.000 0.861 281 T HN 0.290 nan 8.240 nan 0.000 0.456 282 Q N 0.975 120.646 119.800 -0.215 0.000 2.030 282 Q HA -0.073 4.266 4.340 -0.003 0.000 0.204 282 Q C 2.130 178.017 176.000 -0.189 0.000 0.986 282 Q CA 1.259 56.985 55.803 -0.127 0.000 0.843 282 Q CB -0.979 27.715 28.738 -0.073 0.000 0.904 282 Q HN 0.458 nan 8.270 nan 0.000 0.420 283 L N 0.062 121.104 121.223 -0.302 0.000 1.951 283 L HA -0.275 4.063 4.340 -0.003 0.000 0.222 283 L C 2.411 179.105 176.870 -0.293 0.000 1.078 283 L CA 2.381 57.045 54.840 -0.294 0.000 0.778 283 L CB -1.318 40.514 42.059 -0.379 0.000 0.893 283 L HN 0.520 nan 8.230 nan 0.000 0.436 284 C N -0.742 118.238 119.300 -0.533 0.000 2.398 284 C HA -0.196 4.262 4.460 -0.003 0.000 0.279 284 C C 2.667 177.613 174.990 -0.073 0.000 1.250 284 C CA 0.694 59.476 59.018 -0.394 0.000 1.786 284 C CB -1.390 25.903 27.740 -0.745 0.000 2.018 284 C HN 0.604 nan 8.230 nan 0.000 0.494 285 I N 1.110 121.653 120.570 -0.044 0.000 2.286 285 I HA -0.108 4.060 4.170 -0.003 0.000 0.245 285 I C 2.002 178.126 176.117 0.012 0.000 1.104 285 I CA 1.657 62.996 61.300 0.064 0.000 1.397 285 I CB -0.508 37.531 38.000 0.064 0.000 1.072 285 I HN 0.244 nan 8.210 nan 0.000 0.417 286 D N 0.068 120.448 120.400 -0.033 0.000 2.310 286 D HA -0.032 4.606 4.640 -0.003 0.000 0.212 286 D C 1.505 177.788 176.300 -0.027 0.000 0.965 286 D CA 1.063 55.043 54.000 -0.033 0.000 0.879 286 D CB 0.076 40.846 40.800 -0.051 0.000 0.921 286 D HN 0.320 nan 8.370 nan 0.000 0.510 287 L N -1.156 120.053 121.223 -0.025 0.000 2.965 287 L HA 0.387 4.725 4.340 -0.003 0.000 0.254 287 L C 1.401 178.267 176.870 -0.007 0.000 1.220 287 L CA -0.158 54.674 54.840 -0.013 0.000 1.023 287 L CB 0.726 42.773 42.059 -0.020 0.000 1.355 287 L HN 0.037 nan 8.230 nan 0.000 0.545 288 G N -0.554 108.253 108.800 0.012 0.000 2.992 288 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.229 288 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.229 288 G C -0.319 174.620 174.900 0.065 0.000 1.969 288 G CA -0.280 44.831 45.100 0.017 0.000 1.603 288 G HN 0.229 nan 8.290 nan 0.000 0.573 289 W N 4.556 125.785 121.300 -0.119 0.000 2.471 289 W HA 0.106 4.764 4.660 -0.003 0.000 0.341 289 W C 0.877 177.334 176.519 -0.103 0.000 0.805 289 W CA 1.439 58.714 57.345 -0.116 0.000 0.831 289 W CB 0.252 29.624 29.460 -0.147 0.000 0.985 289 W HN 0.445 nan 8.180 nan 0.000 0.553 290 K N 8.619 128.674 120.400 -0.576 0.000 2.339 290 K HA 0.169 4.488 4.320 -0.003 0.000 0.286 290 K C -2.028 174.013 176.600 -0.932 0.000 1.050 290 K CA -1.605 54.345 56.287 -0.563 0.000 0.956 290 K CB 0.635 32.900 32.500 -0.392 0.000 0.990 290 K HN 0.086 nan 8.250 nan 0.000 0.475 291 P HA 0.043 nan 4.420 nan 0.000 0.263 291 P C -0.597 176.247 177.300 -0.761 0.000 1.345 291 P CA 0.084 62.794 63.100 -0.649 0.000 1.119 291 P CB 0.048 31.170 31.700 -0.964 0.000 1.363 292 R N 1.794 122.004 120.500 -0.484 0.000 2.362 292 R HA -0.053 4.286 4.340 -0.003 0.000 0.204 292 R C 0.184 176.292 176.300 -0.321 0.000 1.088 292 R CA -0.096 55.835 56.100 -0.282 0.000 1.121 292 R CB -0.778 29.452 30.300 -0.116 0.000 0.954 292 R HN 0.379 nan 8.270 nan 0.000 0.478 293 Y N 0.343 120.200 120.300 -0.739 0.000 3.338 293 Y HA -0.332 4.217 4.550 -0.003 0.000 0.217 293 Y C 1.670 177.100 175.900 -0.785 0.000 1.100 293 Y CA 0.669 57.995 58.100 -1.290 0.000 1.293 293 Y CB -1.923 36.195 38.460 -0.569 0.000 1.279 293 Y HN 0.320 nan 8.280 nan 0.000 0.623 294 G N 0.598 109.222 108.800 -0.293 0.000 2.608 294 G HA2 0.373 4.331 3.960 -0.003 0.000 0.212 294 G HA3 0.373 4.331 3.960 -0.003 0.000 0.212 294 G C 0.930 175.994 174.900 0.275 0.000 1.572 294 G CA 0.311 45.466 45.100 0.091 0.000 1.064 294 G HN 0.297 nan 8.290 nan 0.000 0.556 295 R N -1.599 119.120 120.500 0.365 0.000 2.471 295 R HA 0.185 4.523 4.340 -0.003 0.000 0.340 295 R C -0.692 175.916 176.300 0.512 0.000 0.743 295 R CA -0.235 56.077 56.100 0.354 0.000 0.989 295 R CB -0.857 29.517 30.300 0.123 0.000 1.631 295 R HN 0.522 nan 8.270 nan 0.000 0.541 296 F N 1.155 121.326 119.950 0.369 0.000 2.763 296 F HA 0.212 4.737 4.527 -0.003 0.000 0.334 296 F C -1.053 175.166 175.800 0.698 0.000 1.279 296 F CA -0.794 57.433 58.000 0.379 0.000 0.997 296 F CB 1.154 40.274 39.000 0.200 0.000 1.397 296 F HN -0.159 nan 8.300 nan 0.000 0.502 297 D N 1.658 122.499 120.400 0.735 0.000 2.295 297 D HA 0.234 4.873 4.640 -0.003 0.000 0.248 297 D C 0.159 176.678 176.300 0.364 0.000 1.154 297 D CA 0.070 54.389 54.000 0.530 0.000 0.857 297 D CB 2.143 43.304 40.800 0.603 0.000 1.117 297 D HN -0.165 nan 8.370 nan 0.000 0.468 298 V N 3.100 123.099 119.914 0.142 0.000 2.740 298 V HA 0.034 4.152 4.120 -0.003 0.000 0.303 298 V C 0.719 176.802 176.094 -0.019 0.000 1.054 298 V CA -0.282 61.954 62.300 -0.107 0.000 1.106 298 V CB 0.671 32.387 31.823 -0.178 0.000 0.957 298 V HN 0.413 nan 8.190 nan 0.000 0.486 299 L N 7.047 128.141 121.223 -0.214 0.000 2.421 299 L HA 0.427 4.765 4.340 -0.003 0.000 0.263 299 L C -2.028 174.615 176.870 -0.377 0.000 1.122 299 L CA -1.677 52.903 54.840 -0.434 0.000 0.804 299 L CB 1.627 43.480 42.059 -0.344 0.000 1.150 299 L HN 0.480 nan 8.230 nan 0.000 0.457 300 P HA 0.181 nan 4.420 nan 0.000 0.287 300 P C -1.173 176.014 177.300 -0.190 0.000 1.281 300 P CA -0.632 62.260 63.100 -0.347 0.000 0.781 300 P CB 0.875 32.284 31.700 -0.485 0.000 0.903 301 L N 3.718 124.857 121.223 -0.139 0.000 2.500 301 L HA 0.212 4.550 4.340 -0.003 0.000 0.272 301 L C 0.460 177.316 176.870 -0.024 0.000 1.149 301 L CA -0.066 54.718 54.840 -0.093 0.000 0.897 301 L CB -0.525 41.433 42.059 -0.169 0.000 1.178 301 L HN 0.092 nan 8.230 nan 0.000 0.473 302 V N 5.753 125.692 119.914 0.042 0.000 2.333 302 V HA 0.490 4.609 4.120 -0.003 0.000 0.274 302 V C 0.216 176.254 176.094 -0.094 0.000 1.028 302 V CA -0.254 62.038 62.300 -0.013 0.000 0.851 302 V CB 1.074 32.891 31.823 -0.011 0.000 1.000 302 V HN 0.627 nan 8.190 nan 0.000 0.456 303 L N 4.969 126.150 121.223 -0.071 0.000 2.303 303 L HA 0.816 5.154 4.340 -0.003 0.000 0.266 303 L C -0.347 176.442 176.870 -0.135 0.000 1.011 303 L CA -0.657 54.140 54.840 -0.073 0.000 0.818 303 L CB 1.786 43.845 42.059 0.000 0.000 1.326 303 L HN 0.737 nan 8.230 nan 0.000 0.435 304 Q N 0.270 120.023 119.800 -0.078 0.000 2.271 304 Q HA 0.798 5.136 4.340 -0.003 0.000 0.268 304 Q C -0.690 175.233 176.000 -0.129 0.000 1.021 304 Q CA -0.512 55.227 55.803 -0.106 0.000 0.802 304 Q CB 2.177 30.862 28.738 -0.088 0.000 1.282 304 Q HN 0.652 nan 8.270 nan 0.000 0.431 305 A N 2.356 125.010 122.820 -0.278 0.000 1.901 305 A HA 0.036 4.354 4.320 -0.003 0.000 0.210 305 A C 1.149 177.832 177.584 -1.501 0.000 1.208 305 A CA 1.364 52.920 52.037 -0.801 0.000 0.644 305 A CB -0.039 18.730 19.000 -0.385 0.000 0.863 305 A HN 0.806 nan 8.150 nan 0.000 0.454 306 D N -3.244 116.758 120.400 -0.664 0.000 2.479 306 D HA 0.296 4.935 4.640 -0.003 0.000 0.221 306 D C 1.008 177.231 176.300 -0.129 0.000 1.104 306 D CA 1.226 54.956 54.000 -0.450 0.000 0.849 306 D CB 1.066 41.701 40.800 -0.274 0.000 1.072 306 D HN 0.476 nan 8.370 nan 0.000 0.502 307 G N 0.569 109.329 108.800 -0.067 0.000 2.870 307 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.216 307 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.216 307 G C 0.170 175.126 174.900 0.093 0.000 0.973 307 G CA -0.215 44.930 45.100 0.076 0.000 0.807 307 G HN 0.196 nan 8.290 nan 0.000 0.573 308 Q N 1.246 121.064 119.800 0.030 0.000 2.222 308 Q HA 0.513 4.851 4.340 -0.003 0.000 0.211 308 Q C -0.497 175.525 176.000 0.037 0.000 1.013 308 Q CA -0.592 55.231 55.803 0.033 0.000 0.993 308 Q CB 0.301 29.037 28.738 -0.003 0.000 1.151 308 Q HN 0.112 nan 8.270 nan 0.000 0.544 309 D N 1.813 122.221 120.400 0.013 0.000 2.406 309 D HA 0.133 4.771 4.640 -0.003 0.000 0.234 309 D C -2.002 174.164 176.300 -0.223 0.000 1.196 309 D CA -0.327 53.594 54.000 -0.132 0.000 0.881 309 D CB -0.196 40.630 40.800 0.043 0.000 1.205 309 D HN 0.376 nan 8.370 nan 0.000 0.453 310 P HA 0.273 nan 4.420 nan 0.000 0.285 310 P C -0.977 176.157 177.300 -0.275 0.000 1.269 310 P CA -0.573 62.222 63.100 -0.508 0.000 0.844 310 P CB 1.243 32.190 31.700 -1.254 0.000 1.094 311 E N 0.226 120.350 120.200 -0.126 0.000 2.266 311 E HA 0.457 4.805 4.350 -0.003 0.000 0.268 311 E C -0.729 175.828 176.600 -0.072 0.000 0.879 311 E CA -1.329 55.015 56.400 -0.093 0.000 0.762 311 E CB 1.707 31.360 29.700 -0.077 0.000 1.199 311 E HN 0.069 nan 8.360 nan 0.000 0.422 312 V N 2.021 121.790 119.914 -0.241 0.000 2.530 312 V HA 0.341 4.459 4.120 -0.003 0.000 0.282 312 V C -0.561 175.299 176.094 -0.390 0.000 1.048 312 V CA -0.185 62.009 62.300 -0.177 0.000 0.997 312 V CB -0.658 31.098 31.823 -0.111 0.000 0.987 312 V HN 0.529 nan 8.190 nan 0.000 0.477 313 F N 1.495 121.331 119.950 -0.191 0.000 2.561 313 F HA 0.437 4.962 4.527 -0.003 0.000 0.313 313 F C 0.335 175.977 175.800 -0.263 0.000 1.126 313 F CA -0.793 57.026 58.000 -0.302 0.000 0.918 313 F CB 1.749 40.262 39.000 -0.813 0.000 1.199 313 F HN 0.446 nan 8.300 nan 0.000 0.444 314 E N 4.140 124.388 120.200 0.080 0.000 2.289 314 E HA 0.332 4.680 4.350 -0.003 0.000 0.278 314 E C -0.317 176.334 176.600 0.085 0.000 1.032 314 E CA -0.445 56.034 56.400 0.132 0.000 0.854 314 E CB 1.699 31.515 29.700 0.193 0.000 1.046 314 E HN 0.491 nan 8.360 nan 0.000 0.409 315 I N 4.095 124.690 120.570 0.041 0.000 2.618 315 I HA 0.022 4.190 4.170 -0.003 0.000 0.284 315 I C -1.990 174.206 176.117 0.131 0.000 1.146 315 I CA -1.850 59.492 61.300 0.070 0.000 1.425 315 I CB -0.234 37.760 38.000 -0.010 0.000 1.383 315 I HN 0.157 nan 8.210 nan 0.000 0.562 316 P HA 0.105 nan 4.420 nan 0.000 0.264 316 P C -2.005 175.340 177.300 0.075 0.000 1.236 316 P CA -1.080 62.103 63.100 0.138 0.000 0.811 316 P CB 0.150 31.933 31.700 0.139 0.000 0.840 317 P HA -0.287 nan 4.420 nan 0.000 0.222 317 P C 1.012 178.325 177.300 0.021 0.000 1.159 317 P CA 1.641 64.763 63.100 0.037 0.000 0.920 317 P CB -0.160 31.565 31.700 0.042 0.000 0.793 318 D N -1.618 118.797 120.400 0.024 0.000 2.239 318 D HA -0.167 4.472 4.640 -0.003 0.000 0.202 318 D C 1.704 178.006 176.300 0.004 0.000 0.993 318 D CA 0.880 54.887 54.000 0.012 0.000 0.874 318 D CB -0.457 40.350 40.800 0.013 0.000 0.922 318 D HN 0.156 nan 8.370 nan 0.000 0.464 319 L N -0.506 120.723 121.223 0.010 0.000 2.209 319 L HA 0.039 4.377 4.340 -0.003 0.000 0.207 319 L C 0.491 177.346 176.870 -0.025 0.000 1.094 319 L CA 0.141 54.982 54.840 0.000 0.000 0.790 319 L CB 0.296 42.370 42.059 0.023 0.000 0.932 319 L HN -0.134 nan 8.230 nan 0.000 0.447 320 V N 2.840 122.733 119.914 -0.035 0.000 2.302 320 V HA 0.011 4.129 4.120 -0.003 0.000 0.244 320 V C 0.073 176.137 176.094 -0.051 0.000 1.160 320 V CA -0.301 61.958 62.300 -0.068 0.000 1.127 320 V CB 0.064 31.829 31.823 -0.097 0.000 1.253 320 V HN 0.097 nan 8.190 nan 0.000 0.496 321 L N 5.241 126.437 121.223 -0.045 0.000 2.325 321 L HA 0.436 4.774 4.340 -0.003 0.000 0.284 321 L C 0.222 177.066 176.870 -0.044 0.000 1.089 321 L CA 0.532 55.345 54.840 -0.045 0.000 0.836 321 L CB 0.167 42.194 42.059 -0.053 0.000 1.184 321 L HN 0.578 nan 8.230 nan 0.000 0.444 322 E N 3.038 123.211 120.200 -0.044 0.000 2.302 322 E HA 0.678 5.026 4.350 -0.003 0.000 0.255 322 E C -1.186 175.346 176.600 -0.112 0.000 1.099 322 E CA -0.971 55.403 56.400 -0.043 0.000 0.929 322 E CB 1.904 31.604 29.700 0.000 0.000 1.203 322 E HN 0.478 nan 8.360 nan 0.000 0.459 323 V N 1.089 120.930 119.914 -0.123 0.000 2.686 323 V HA 0.266 4.385 4.120 -0.003 0.000 0.306 323 V C -0.608 175.447 176.094 -0.066 0.000 1.065 323 V CA -0.847 61.334 62.300 -0.199 0.000 0.894 323 V CB 2.116 33.649 31.823 -0.483 0.000 1.004 323 V HN 0.797 nan 8.190 nan 0.000 0.424 324 T N 3.516 118.032 114.554 -0.063 0.000 2.882 324 T HA 0.546 4.894 4.350 -0.003 0.000 0.287 324 T C -0.195 174.462 174.700 -0.071 0.000 0.992 324 T CA -0.742 61.346 62.100 -0.020 0.000 1.076 324 T CB 1.055 69.912 68.868 -0.018 0.000 0.961 324 T HN 0.302 nan 8.240 nan 0.000 0.490 325 M N 3.849 123.379 119.600 -0.117 0.000 2.135 325 M HA 0.303 4.782 4.480 -0.003 0.000 0.345 325 M C 0.261 176.229 176.300 -0.553 0.000 1.340 325 M CA -0.471 54.631 55.300 -0.329 0.000 1.162 325 M CB -0.379 31.951 32.600 -0.449 0.000 1.570 325 M HN 0.889 nan 8.290 nan 0.000 0.454 326 E N 2.878 122.872 120.200 -0.342 0.000 2.292 326 E HA 0.280 4.629 4.350 -0.003 0.000 0.272 326 E C -1.369 175.338 176.600 0.177 0.000 0.881 326 E CA -0.668 55.641 56.400 -0.151 0.000 0.754 326 E CB 1.749 31.447 29.700 -0.004 0.000 1.201 326 E HN 0.534 nan 8.360 nan 0.000 0.425 327 H N 4.715 123.971 119.070 0.309 0.000 2.548 327 H HA 0.210 4.765 4.556 -0.003 0.000 0.331 327 H C -1.767 173.562 175.328 0.003 0.000 1.093 327 H CA -2.192 54.010 56.048 0.257 0.000 1.367 327 H CB 1.729 31.597 29.762 0.177 0.000 1.455 327 H HN 0.443 nan 8.280 nan 0.000 0.519 328 P HA 0.036 nan 4.420 nan 0.000 0.269 328 P C -0.017 177.314 177.300 0.053 0.000 1.376 328 P CA 0.620 63.568 63.100 -0.253 0.000 0.775 328 P CB 0.450 31.738 31.700 -0.687 0.000 1.345 329 K N -2.089 118.378 120.400 0.111 0.000 3.172 329 K HA 0.098 4.417 4.320 -0.003 0.000 0.237 329 K C 0.005 176.584 176.600 -0.034 0.000 2.324 329 K CA -0.002 56.282 56.287 -0.004 0.000 1.521 329 K CB -0.267 32.229 32.500 -0.007 0.000 2.603 329 K HN -0.243 nan 8.250 nan 0.000 0.537 330 Y N 3.698 123.697 120.300 -0.501 0.000 3.168 330 Y HA 0.018 4.566 4.550 -0.002 0.000 0.373 330 Y C 0.875 176.561 175.900 -0.357 0.000 1.073 330 Y CA 0.124 58.017 58.100 -0.344 0.000 2.070 330 Y CB -0.932 37.114 38.460 -0.691 0.000 2.252 330 Y HN 0.209 nan 8.280 nan 0.000 0.404 331 E N 0.655 120.896 120.200 0.068 0.000 2.315 331 E HA -0.290 4.059 4.350 -0.003 0.000 0.215 331 E C 1.674 178.342 176.600 0.114 0.000 1.069 331 E CA 2.099 58.558 56.400 0.098 0.000 0.859 331 E CB -0.366 29.404 29.700 0.117 0.000 0.743 331 E HN 0.804 nan 8.360 nan 0.000 0.469 332 W N -0.769 120.597 121.300 0.110 0.000 2.747 332 W HA -0.070 4.589 4.660 -0.003 0.000 0.244 332 W C 1.245 177.890 176.519 0.211 0.000 1.270 332 W CA -0.022 57.390 57.345 0.110 0.000 1.333 332 W CB -0.975 28.517 29.460 0.054 0.000 1.139 332 W HN -0.038 nan 8.180 nan 0.000 0.662 333 F N 2.414 122.030 119.950 -0.557 0.000 2.039 333 F HA -0.158 4.367 4.527 -0.003 0.000 0.294 333 F C 2.540 178.216 175.800 -0.207 0.000 1.130 333 F CA 1.961 59.640 58.000 -0.535 0.000 1.189 333 F CB -1.110 37.620 39.000 -0.449 0.000 0.983 333 F HN -0.082 nan 8.300 nan 0.000 0.471 334 Q N 0.260 120.086 119.800 0.042 0.000 2.268 334 Q HA -0.285 4.054 4.340 -0.003 0.000 0.213 334 Q C 1.847 177.856 176.000 0.015 0.000 0.995 334 Q CA 2.370 58.155 55.803 -0.029 0.000 0.901 334 Q CB -0.345 28.401 28.738 0.012 0.000 0.921 334 Q HN 0.462 nan 8.270 nan 0.000 0.421 335 E N -0.821 119.430 120.200 0.085 0.000 2.333 335 E HA -0.144 4.205 4.350 -0.003 0.000 0.198 335 E C 1.230 177.885 176.600 0.092 0.000 1.007 335 E CA 0.307 56.769 56.400 0.102 0.000 0.845 335 E CB 0.038 29.835 29.700 0.162 0.000 0.766 335 E HN 0.212 nan 8.360 nan 0.000 0.507 336 L N -0.436 120.841 121.223 0.089 0.000 2.141 336 L HA -0.012 4.326 4.340 -0.003 0.000 0.209 336 L C 1.298 178.160 176.870 -0.013 0.000 1.094 336 L CA 1.744 56.624 54.840 0.066 0.000 0.763 336 L CB -1.384 40.723 42.059 0.080 0.000 0.908 336 L HN 0.331 nan 8.230 nan 0.000 0.437 337 G N 0.515 109.290 108.800 -0.040 0.000 2.401 337 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.283 337 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.283 337 G C -0.514 174.339 174.900 -0.080 0.000 1.117 337 G CA -0.120 44.950 45.100 -0.051 0.000 1.051 337 G HN 0.134 nan 8.290 nan 0.000 0.510 338 L N 0.683 121.892 121.223 -0.022 0.000 2.365 338 L HA 0.910 5.248 4.340 -0.003 0.000 0.273 338 L C 0.182 177.253 176.870 0.334 0.000 1.000 338 L CA -0.898 54.032 54.840 0.151 0.000 0.819 338 L CB 1.906 43.829 42.059 -0.227 0.000 1.284 338 L HN 0.641 nan 8.230 nan 0.000 0.418 339 K N 2.148 122.966 120.400 0.696 0.000 2.533 339 K HA 0.536 4.854 4.320 -0.003 0.000 0.284 339 K C -2.120 174.474 176.600 -0.010 0.000 1.025 339 K CA -0.846 55.593 56.287 0.254 0.000 0.900 339 K CB 2.364 34.978 32.500 0.191 0.000 1.519 339 K HN 0.543 nan 8.250 nan 0.000 0.432 340 W N 2.611 123.735 121.300 -0.293 0.000 3.571 340 W HA 0.248 4.907 4.660 -0.003 0.000 0.294 340 W C -1.284 175.163 176.519 -0.120 0.000 1.257 340 W CA -0.795 56.326 57.345 -0.374 0.000 1.206 340 W CB 1.172 30.302 29.460 -0.549 0.000 1.325 340 W HN 0.666 nan 8.180 nan 0.000 0.546 341 Y N 1.745 121.891 120.300 -0.256 0.000 2.717 341 Y HA 0.326 4.874 4.550 -0.003 0.000 0.330 341 Y C 0.773 176.761 175.900 0.147 0.000 1.217 341 Y CA 0.818 58.809 58.100 -0.182 0.000 1.506 341 Y CB 0.210 38.425 38.460 -0.409 0.000 1.268 341 Y HN 0.359 nan 8.280 nan 0.000 0.561 342 A N 4.418 127.410 122.820 0.285 0.000 2.238 342 A HA 0.206 4.524 4.320 -0.003 0.000 0.208 342 A C 0.028 177.875 177.584 0.438 0.000 1.177 342 A CA -0.003 52.260 52.037 0.376 0.000 0.804 342 A CB -0.403 18.624 19.000 0.045 0.000 0.823 342 A HN 0.739 nan 8.150 nan 0.000 0.482 343 L N 0.993 122.435 121.223 0.366 0.000 2.372 343 L HA 0.487 4.825 4.340 -0.003 0.000 0.273 343 L C -2.821 174.029 176.870 -0.034 0.000 0.989 343 L CA -1.950 52.955 54.840 0.108 0.000 0.841 343 L CB 2.459 44.502 42.059 -0.027 0.000 1.225 343 L HN -0.118 nan 8.230 nan 0.000 0.414 344 P HA 0.450 nan 4.420 nan 0.000 0.295 344 P C -1.465 175.596 177.300 -0.399 0.000 1.354 344 P CA -0.275 62.569 63.100 -0.427 0.000 0.814 344 P CB 1.481 32.675 31.700 -0.844 0.000 0.935 345 A N 4.018 126.604 122.820 -0.391 0.000 2.385 345 A HA 0.532 4.851 4.320 -0.003 0.000 0.290 345 A C -0.372 176.906 177.584 -0.510 0.000 1.094 345 A CA -0.679 51.086 52.037 -0.454 0.000 0.729 345 A CB 1.216 20.034 19.000 -0.303 0.000 1.194 345 A HN 0.288 nan 8.150 nan 0.000 0.442 346 V N 1.967 121.409 119.914 -0.788 0.000 2.488 346 V HA 0.516 4.634 4.120 -0.003 0.000 0.277 346 V C 1.151 176.948 176.094 -0.496 0.000 1.046 346 V CA 0.314 62.206 62.300 -0.680 0.000 0.986 346 V CB 0.344 31.633 31.823 -0.891 0.000 0.989 346 V HN 1.105 nan 8.190 nan 0.000 0.475 347 A N 4.609 127.247 122.820 -0.304 0.000 1.972 347 A HA 0.116 4.435 4.320 -0.003 0.000 0.219 347 A C 1.082 178.595 177.584 -0.119 0.000 1.467 347 A CA 0.494 52.409 52.037 -0.204 0.000 0.631 347 A CB -0.547 18.347 19.000 -0.177 0.000 1.143 347 A HN 0.952 nan 8.150 nan 0.000 0.502 348 N N 0.254 118.889 118.700 -0.109 0.000 2.416 348 N HA 0.304 5.042 4.740 -0.003 0.000 0.271 348 N C -0.891 174.587 175.510 -0.054 0.000 1.245 348 N CA 0.467 53.477 53.050 -0.067 0.000 0.940 348 N CB 0.163 38.595 38.487 -0.091 0.000 1.175 348 N HN 0.460 nan 8.380 nan 0.000 0.483 349 M N 2.879 122.496 119.600 0.028 0.000 2.363 349 M HA 0.079 4.557 4.480 -0.003 0.000 0.256 349 M C -1.590 174.806 176.300 0.159 0.000 1.005 349 M CA -0.499 54.851 55.300 0.083 0.000 0.890 349 M CB 1.885 34.555 32.600 0.116 0.000 2.101 349 M HN 0.545 nan 8.290 nan 0.000 0.476 350 L N 4.405 125.737 121.223 0.182 0.000 2.367 350 L HA 0.524 4.862 4.340 -0.003 0.000 0.275 350 L C -1.047 175.951 176.870 0.212 0.000 1.129 350 L CA -0.550 54.402 54.840 0.187 0.000 0.839 350 L CB 0.794 42.938 42.059 0.142 0.000 1.133 350 L HN 0.671 nan 8.230 nan 0.000 0.453 351 L N 5.466 126.786 121.223 0.162 0.000 2.309 351 L HA 0.513 4.852 4.340 -0.003 0.000 0.282 351 L C -0.650 176.291 176.870 0.118 0.000 1.036 351 L CA 0.167 55.013 54.840 0.010 0.000 0.806 351 L CB 1.376 43.387 42.059 -0.079 0.000 1.220 351 L HN 0.664 nan 8.230 nan 0.000 0.429 352 E N 4.740 124.968 120.200 0.046 0.000 2.234 352 E HA 0.574 4.922 4.350 -0.003 0.000 0.266 352 E C -2.143 174.433 176.600 -0.040 0.000 0.877 352 E CA -0.496 55.905 56.400 0.002 0.000 0.758 352 E CB 2.179 31.839 29.700 -0.067 0.000 1.170 352 E HN 0.584 nan 8.360 nan 0.000 0.415 353 V N 2.540 122.416 119.914 -0.064 0.000 3.012 353 V HA 0.558 4.676 4.120 -0.003 0.000 0.307 353 V C 0.526 176.564 176.094 -0.094 0.000 1.166 353 V CA 0.439 62.621 62.300 -0.196 0.000 0.974 353 V CB 1.707 33.392 31.823 -0.230 0.000 1.040 353 V HN 0.908 nan 8.190 nan 0.000 0.428 354 G N 3.377 112.118 108.800 -0.097 0.000 2.439 354 G HA2 0.019 3.977 3.960 -0.003 0.000 0.305 354 G HA3 0.019 3.977 3.960 -0.003 0.000 0.305 354 G C 1.582 176.689 174.900 0.345 0.000 0.966 354 G CA 1.630 46.950 45.100 0.368 0.000 0.890 354 G HN 2.729 nan 8.290 nan 0.000 0.513 355 G N -2.176 106.703 108.800 0.132 0.000 2.199 355 G HA2 -0.264 3.695 3.960 -0.003 0.000 0.254 355 G HA3 -0.264 3.695 3.960 -0.003 0.000 0.254 355 G C 0.445 175.395 174.900 0.083 0.000 0.982 355 G CA 0.538 45.738 45.100 0.167 0.000 0.632 355 G HN 1.168 nan 8.290 nan 0.000 0.529 356 L N 1.123 122.355 121.223 0.016 0.000 2.334 356 L HA 0.621 4.959 4.340 -0.003 0.000 0.277 356 L C 0.485 177.135 176.870 -0.366 0.000 1.075 356 L CA -0.537 54.174 54.840 -0.215 0.000 0.804 356 L CB 1.372 43.212 42.059 -0.365 0.000 1.174 356 L HN 0.472 nan 8.230 nan 0.000 0.438 357 E N 2.907 122.825 120.200 -0.470 0.000 2.241 357 E HA 0.336 4.684 4.350 -0.003 0.000 0.263 357 E C -1.679 174.691 176.600 -0.382 0.000 0.882 357 E CA -0.649 55.538 56.400 -0.356 0.000 0.769 357 E CB 1.182 30.768 29.700 -0.191 0.000 1.185 357 E HN 0.288 nan 8.360 nan 0.000 0.415 358 F N 4.060 123.999 119.950 -0.018 0.000 2.313 358 F HA 0.339 4.864 4.527 -0.003 0.000 0.369 358 F C -1.814 174.012 175.800 0.042 0.000 1.109 358 F CA -2.696 55.312 58.000 0.013 0.000 1.132 358 F CB 1.516 40.512 39.000 -0.006 0.000 1.291 358 F HN 0.433 nan 8.300 nan 0.000 0.496 359 P HA -0.022 nan 4.420 nan 0.000 0.236 359 P C -0.244 177.165 177.300 0.181 0.000 1.172 359 P CA 0.612 63.817 63.100 0.175 0.000 0.759 359 P CB 0.333 32.132 31.700 0.165 0.000 0.843 360 A N -0.112 122.824 122.820 0.192 0.000 2.466 360 A HA 0.543 4.861 4.320 -0.003 0.000 0.284 360 A C -0.292 177.277 177.584 -0.026 0.000 1.049 360 A CA -0.405 51.683 52.037 0.085 0.000 0.760 360 A CB 0.261 19.361 19.000 0.167 0.000 1.274 360 A HN 0.200 nan 8.150 nan 0.000 0.412 361 C N -0.308 118.944 119.300 -0.079 0.000 2.971 361 C HA 0.443 4.902 4.460 -0.003 0.000 0.239 361 C C -2.937 172.010 174.990 -0.072 0.000 1.647 361 C CA -1.540 57.407 59.018 -0.117 0.000 1.088 361 C CB -0.982 26.740 27.740 -0.030 0.000 1.982 361 C HN 0.516 nan 8.230 nan 0.000 0.643 362 P HA 0.139 nan 4.420 nan 0.000 0.263 362 P C -0.361 176.860 177.300 -0.131 0.000 1.162 362 P CA 1.267 64.262 63.100 -0.175 0.000 0.758 362 P CB -0.054 31.474 31.700 -0.286 0.000 0.773 363 F N 0.513 120.284 119.950 -0.299 0.000 2.599 363 F HA 0.662 5.187 4.527 -0.003 0.000 0.311 363 F C -0.339 175.316 175.800 -0.241 0.000 1.076 363 F CA -1.100 56.714 58.000 -0.311 0.000 0.937 363 F CB 1.895 40.595 39.000 -0.500 0.000 1.282 363 F HN 0.266 nan 8.300 nan 0.000 0.460 364 N N 0.524 119.100 118.700 -0.207 0.000 2.455 364 N HA 0.815 5.553 4.740 -0.003 0.000 0.278 364 N C -1.231 174.068 175.510 -0.352 0.000 1.291 364 N CA -0.756 52.096 53.050 -0.330 0.000 0.780 364 N CB 2.463 40.798 38.487 -0.252 0.000 1.520 364 N HN 1.104 nan 8.380 nan 0.000 0.486 365 G N -0.823 107.749 108.800 -0.380 0.000 2.721 365 G HA2 0.571 4.530 3.960 -0.003 0.000 0.296 365 G HA3 0.571 4.530 3.960 -0.003 0.000 0.296 365 G C -2.046 172.689 174.900 -0.275 0.000 1.383 365 G CA -1.011 43.809 45.100 -0.466 0.000 0.788 365 G HN 0.696 nan 8.290 nan 0.000 0.500 366 W N -0.971 120.258 121.300 -0.118 0.000 2.509 366 W HA 0.804 5.463 4.660 -0.003 0.000 0.351 366 W C -0.827 175.652 176.519 -0.068 0.000 1.107 366 W CA -2.074 55.231 57.345 -0.067 0.000 1.264 366 W CB 0.222 29.695 29.460 0.021 0.000 1.312 366 W HN 0.474 nan 8.180 nan 0.000 0.608 367 Y N 2.329 122.812 120.300 0.305 0.000 2.607 367 Y HA 0.102 4.651 4.550 -0.003 0.000 0.348 367 Y C 0.813 176.774 175.900 0.102 0.000 1.261 367 Y CA -0.114 58.051 58.100 0.108 0.000 1.480 367 Y CB 0.609 39.042 38.460 -0.045 0.000 1.358 367 Y HN 0.502 nan 8.280 nan 0.000 0.630 368 M N 1.538 121.286 119.600 0.246 0.000 2.190 368 M HA 0.436 4.914 4.480 -0.003 0.000 0.312 368 M C 0.909 177.202 176.300 -0.012 0.000 0.990 368 M CA -0.195 55.169 55.300 0.107 0.000 0.927 368 M CB 1.656 34.313 32.600 0.095 0.000 1.571 368 M HN 0.748 nan 8.290 nan 0.000 0.427 369 G N 2.162 110.888 108.800 -0.123 0.000 2.679 369 G HA2 -0.343 3.615 3.960 -0.003 0.000 0.222 369 G HA3 -0.343 3.615 3.960 -0.003 0.000 0.222 369 G C 1.015 175.816 174.900 -0.165 0.000 1.164 369 G CA 2.082 47.051 45.100 -0.218 0.000 0.769 369 G HN 0.889 nan 8.290 nan 0.000 0.610 370 T N -0.344 114.198 114.554 -0.021 0.000 2.778 370 T HA -0.121 4.227 4.350 -0.003 0.000 0.269 370 T C 1.998 176.619 174.700 -0.131 0.000 1.050 370 T CA 1.753 63.838 62.100 -0.024 0.000 1.137 370 T CB -0.139 68.753 68.868 0.040 0.000 0.860 370 T HN 0.413 nan 8.240 nan 0.000 0.468 371 E N 1.227 121.345 120.200 -0.136 0.000 2.047 371 E HA 0.009 4.357 4.350 -0.003 0.000 0.191 371 E C 2.029 178.409 176.600 -0.366 0.000 0.987 371 E CA 0.895 57.199 56.400 -0.161 0.000 0.799 371 E CB -0.501 29.200 29.700 0.002 0.000 0.752 371 E HN 0.565 nan 8.360 nan 0.000 0.449 372 I N 0.036 120.267 120.570 -0.564 0.000 2.090 372 I HA -0.191 3.977 4.170 -0.003 0.000 0.236 372 I C 2.278 177.921 176.117 -0.790 0.000 1.064 372 I CA 1.253 61.914 61.300 -1.064 0.000 1.324 372 I CB -0.974 36.358 38.000 -1.114 0.000 1.044 372 I HN 0.297 nan 8.210 nan 0.000 0.399 373 G N 0.499 109.083 108.800 -0.359 0.000 2.806 373 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.214 373 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.214 373 G C 1.677 176.564 174.900 -0.023 0.000 1.331 373 G CA 1.507 46.573 45.100 -0.057 0.000 0.807 373 G HN 0.345 nan 8.290 nan 0.000 0.644 374 V N 0.299 120.171 119.914 -0.071 0.000 2.719 374 V HA 0.072 4.190 4.120 -0.003 0.000 0.252 374 V C 2.756 178.800 176.094 -0.083 0.000 1.065 374 V CA 1.646 63.913 62.300 -0.054 0.000 1.086 374 V CB -0.356 31.428 31.823 -0.066 0.000 0.700 374 V HN 0.271 nan 8.190 nan 0.000 0.467 375 R N 1.354 121.763 120.500 -0.153 0.000 2.051 375 R HA -0.005 4.333 4.340 -0.003 0.000 0.225 375 R C 1.941 178.152 176.300 -0.147 0.000 1.155 375 R CA 2.177 58.188 56.100 -0.147 0.000 0.945 375 R CB -1.331 28.871 30.300 -0.164 0.000 0.840 375 R HN 0.711 nan 8.270 nan 0.000 0.432 376 D N 0.133 120.335 120.400 -0.331 0.000 2.162 376 D HA -0.057 4.582 4.640 -0.003 0.000 0.203 376 D C 1.661 177.826 176.300 -0.225 0.000 0.967 376 D CA 0.654 54.450 54.000 -0.339 0.000 0.840 376 D CB -0.148 40.135 40.800 -0.862 0.000 0.972 376 D HN 0.030 nan 8.370 nan 0.000 0.482 377 F N 0.977 120.720 119.950 -0.345 0.000 2.074 377 F HA -0.034 4.492 4.527 -0.003 0.000 0.293 377 F C 2.283 178.071 175.800 -0.019 0.000 1.116 377 F CA 0.058 57.943 58.000 -0.192 0.000 1.212 377 F CB -0.830 38.019 39.000 -0.252 0.000 0.998 377 F HN 0.107 nan 8.300 nan 0.000 0.471 378 C N -1.193 118.211 119.300 0.172 0.000 2.522 378 C HA 0.005 4.463 4.460 -0.003 0.000 0.280 378 C C 0.584 175.626 174.990 0.087 0.000 1.303 378 C CA -0.760 58.325 59.018 0.113 0.000 1.709 378 C CB -1.077 26.699 27.740 0.059 0.000 2.071 378 C HN 0.232 nan 8.230 nan 0.000 0.492 379 D N 1.261 121.693 120.400 0.053 0.000 2.752 379 D HA -0.041 4.597 4.640 -0.003 0.000 0.225 379 D C 1.328 177.679 176.300 0.084 0.000 1.104 379 D CA 0.706 54.736 54.000 0.049 0.000 0.832 379 D CB 0.544 41.363 40.800 0.033 0.000 1.161 379 D HN 0.328 nan 8.370 nan 0.000 0.505 380 T N 1.734 116.333 114.554 0.076 0.000 2.759 380 T HA -0.255 4.093 4.350 -0.003 0.000 0.269 380 T C 1.519 176.277 174.700 0.097 0.000 1.042 380 T CA 1.573 63.726 62.100 0.087 0.000 1.140 380 T CB -0.054 68.859 68.868 0.075 0.000 0.864 380 T HN 0.538 nan 8.240 nan 0.000 0.455 381 Q N -0.138 119.722 119.800 0.101 0.000 2.365 381 Q HA 0.117 4.455 4.340 -0.003 0.000 0.203 381 Q C 1.005 177.073 176.000 0.113 0.000 0.929 381 Q CA 0.030 55.899 55.803 0.111 0.000 0.948 381 Q CB 0.084 28.903 28.738 0.135 0.000 1.043 381 Q HN 0.387 nan 8.270 nan 0.000 0.505 382 R N -0.607 119.967 120.500 0.124 0.000 2.618 382 R HA 0.269 4.608 4.340 -0.003 0.000 0.108 382 R C 1.586 177.978 176.300 0.153 0.000 1.220 382 R CA -0.402 55.797 56.100 0.166 0.000 1.020 382 R CB -1.149 29.280 30.300 0.216 0.000 0.950 382 R HN 0.034 nan 8.270 nan 0.000 0.397 383 Y N 1.506 121.893 120.300 0.144 0.000 2.109 383 Y HA -0.121 4.427 4.550 -0.003 0.000 0.285 383 Y C 0.782 176.773 175.900 0.152 0.000 1.131 383 Y CA 1.746 59.957 58.100 0.186 0.000 1.121 383 Y CB -0.193 38.427 38.460 0.267 0.000 0.987 383 Y HN 0.502 nan 8.280 nan 0.000 0.495 384 N N -0.392 118.488 118.700 0.300 0.000 2.729 384 N HA -0.171 4.567 4.740 -0.003 0.000 0.259 384 N C 0.066 175.688 175.510 0.187 0.000 1.119 384 N CA 0.694 53.865 53.050 0.202 0.000 0.679 384 N CB -1.387 37.191 38.487 0.150 0.000 0.892 384 N HN 0.532 nan 8.380 nan 0.000 0.558 385 I N -2.137 118.544 120.570 0.185 0.000 2.803 385 I HA 0.090 4.258 4.170 -0.003 0.000 0.227 385 I C 2.132 178.348 176.117 0.165 0.000 1.053 385 I CA 0.309 61.697 61.300 0.146 0.000 1.413 385 I CB -0.850 37.200 38.000 0.083 0.000 1.247 385 I HN 0.271 nan 8.210 nan 0.000 0.423 386 L N 0.679 122.002 121.223 0.166 0.000 3.406 386 L HA -0.466 3.872 4.340 -0.003 0.000 0.070 386 L C 2.318 179.396 176.870 0.346 0.000 4.444 386 L CA 3.012 57.997 54.840 0.242 0.000 0.472 386 L CB -1.366 40.828 42.059 0.225 0.000 3.549 386 L HN 0.770 nan 8.230 nan 0.000 0.635 387 E N -0.658 119.738 120.200 0.327 0.000 2.065 387 E HA -0.284 4.064 4.350 -0.003 0.000 0.201 387 E C 1.937 178.568 176.600 0.052 0.000 1.016 387 E CA 2.226 58.748 56.400 0.202 0.000 0.818 387 E CB -0.322 29.481 29.700 0.171 0.000 0.749 387 E HN 0.727 nan 8.360 nan 0.000 0.453 388 E N -0.651 119.609 120.200 0.100 0.000 2.047 388 E HA -0.117 4.231 4.350 -0.003 0.000 0.191 388 E C 2.059 178.749 176.600 0.150 0.000 0.987 388 E CA 1.166 57.621 56.400 0.092 0.000 0.799 388 E CB 0.078 29.852 29.700 0.124 0.000 0.752 388 E HN 0.159 nan 8.360 nan 0.000 0.449 389 V N 0.453 120.488 119.914 0.202 0.000 3.026 389 V HA -0.175 3.943 4.120 -0.003 0.000 0.265 389 V C 1.818 178.053 176.094 0.234 0.000 1.121 389 V CA 1.652 64.118 62.300 0.276 0.000 1.142 389 V CB -0.370 31.518 31.823 0.108 0.000 0.730 389 V HN 0.391 nan 8.190 nan 0.000 0.503 390 G N -0.558 108.315 108.800 0.121 0.000 2.471 390 G HA2 -0.079 3.879 3.960 -0.003 0.000 0.211 390 G HA3 -0.079 3.879 3.960 -0.003 0.000 0.211 390 G C 1.642 176.442 174.900 -0.167 0.000 1.194 390 G CA 0.175 45.273 45.100 -0.003 0.000 0.816 390 G HN 0.349 nan 8.290 nan 0.000 0.545 391 R N 0.472 120.841 120.500 -0.218 0.000 2.103 391 R HA -0.071 4.267 4.340 -0.003 0.000 0.234 391 R C 2.514 178.646 176.300 -0.280 0.000 1.132 391 R CA 1.609 57.557 56.100 -0.252 0.000 0.925 391 R CB -0.321 29.860 30.300 -0.199 0.000 0.842 391 R HN 0.199 nan 8.270 nan 0.000 0.430 392 R N 0.111 120.421 120.500 -0.317 0.000 2.369 392 R HA -0.058 4.280 4.340 -0.003 0.000 0.200 392 R C 1.544 177.291 176.300 -0.922 0.000 1.046 392 R CA 0.623 56.309 56.100 -0.690 0.000 1.057 392 R CB -0.138 29.666 30.300 -0.826 0.000 0.888 392 R HN 0.228 nan 8.270 nan 0.000 0.474 393 M N -1.020 118.356 119.600 -0.373 0.000 2.382 393 M HA 0.224 4.702 4.480 -0.003 0.000 0.247 393 M C 1.183 177.399 176.300 -0.140 0.000 1.104 393 M CA 0.864 56.101 55.300 -0.105 0.000 1.030 393 M CB 0.917 33.578 32.600 0.100 0.000 1.424 393 M HN 0.257 nan 8.290 nan 0.000 0.486 394 G N 0.519 109.182 108.800 -0.229 0.000 2.498 394 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.229 394 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.229 394 G C 0.018 174.820 174.900 -0.163 0.000 1.156 394 G CA 0.178 45.160 45.100 -0.196 0.000 0.680 394 G HN 0.360 nan 8.290 nan 0.000 0.512 395 L N 1.411 122.567 121.223 -0.111 0.000 2.594 395 L HA 0.009 4.347 4.340 -0.003 0.000 0.323 395 L C 1.374 178.135 176.870 -0.182 0.000 1.306 395 L CA 0.767 55.556 54.840 -0.085 0.000 0.841 395 L CB 0.042 42.108 42.059 0.012 0.000 1.055 395 L HN 0.392 nan 8.230 nan 0.000 0.565 396 E N 1.143 121.279 120.200 -0.107 0.000 2.860 396 E HA -0.052 4.297 4.350 -0.003 0.000 0.318 396 E C 0.894 177.288 176.600 -0.344 0.000 1.481 396 E CA 0.095 56.421 56.400 -0.123 0.000 1.613 396 E CB -0.203 29.515 29.700 0.030 0.000 1.279 396 E HN 0.614 nan 8.360 nan 0.000 0.489 397 T N -0.259 113.887 114.554 -0.680 0.000 2.946 397 T HA -0.173 4.175 4.350 -0.003 0.000 0.270 397 T C 0.988 175.426 174.700 -0.437 0.000 1.129 397 T CA 1.182 62.543 62.100 -1.231 0.000 1.103 397 T CB -0.166 68.180 68.868 -0.871 0.000 0.839 397 T HN 0.500 nan 8.240 nan 0.000 0.544 398 H N -1.399 117.513 119.070 -0.263 0.000 2.893 398 H HA 0.186 4.740 4.556 -0.003 0.000 0.270 398 H C 0.276 175.655 175.328 0.085 0.000 1.095 398 H CA -0.040 55.988 56.048 -0.034 0.000 1.186 398 H CB 0.951 30.681 29.762 -0.054 0.000 1.562 398 H HN 0.067 nan 8.280 nan 0.000 0.536 399 T N 2.530 117.234 114.554 0.249 0.000 3.390 399 T HA 0.018 4.366 4.350 -0.003 0.000 0.315 399 T C 1.179 176.054 174.700 0.291 0.000 1.799 399 T CA -0.199 62.029 62.100 0.214 0.000 1.553 399 T CB 0.180 69.134 68.868 0.143 0.000 1.002 399 T HN 0.122 nan 8.240 nan 0.000 0.715 400 L N 2.735 124.143 121.223 0.309 0.000 2.184 400 L HA -0.335 4.003 4.340 -0.003 0.000 0.236 400 L C 2.477 179.400 176.870 0.089 0.000 1.120 400 L CA 2.797 57.750 54.840 0.188 0.000 0.844 400 L CB -1.313 40.797 42.059 0.086 0.000 0.932 400 L HN 0.562 nan 8.230 nan 0.000 0.450 401 A N -1.541 121.330 122.820 0.084 0.000 2.139 401 A HA -0.227 4.091 4.320 -0.003 0.000 0.221 401 A C 2.237 179.863 177.584 0.071 0.000 1.159 401 A CA 2.064 54.132 52.037 0.053 0.000 0.662 401 A CB -0.857 18.173 19.000 0.049 0.000 0.796 401 A HN 0.768 nan 8.150 nan 0.000 0.463 402 S N -0.408 115.376 115.700 0.141 0.000 2.400 402 S HA -0.061 4.408 4.470 -0.003 0.000 0.232 402 S C 0.939 175.614 174.600 0.124 0.000 1.025 402 S CA 0.997 59.293 58.200 0.160 0.000 0.993 402 S CB -0.505 62.855 63.200 0.266 0.000 0.808 402 S HN 0.902 nan 8.310 nan 0.000 0.478 403 L N 0.032 121.293 121.223 0.064 0.000 4.236 403 L HA -0.141 4.198 4.340 -0.003 0.000 0.399 403 L C 1.496 178.392 176.870 0.044 0.000 1.146 403 L CA 0.742 55.572 54.840 -0.015 0.000 0.947 403 L CB -2.620 39.446 42.059 0.011 0.000 2.149 403 L HN 0.756 nan 8.230 nan 0.000 0.705 404 W N 0.976 122.288 121.300 0.020 0.000 2.381 404 W HA -0.120 4.538 4.660 -0.002 0.000 0.301 404 W C 1.701 178.233 176.519 0.022 0.000 1.205 404 W CA 1.420 58.779 57.345 0.022 0.000 1.285 404 W CB -0.821 28.655 29.460 0.026 0.000 1.133 404 W HN 0.228 nan 8.180 nan 0.000 0.521 405 K N 1.041 121.094 120.400 -0.579 0.000 2.103 405 K HA -0.184 4.134 4.320 -0.003 0.000 0.207 405 K C 1.410 177.896 176.600 -0.190 0.000 1.048 405 K CA 2.167 58.107 56.287 -0.578 0.000 0.930 405 K CB -0.621 31.301 32.500 -0.964 0.000 0.716 405 K HN 0.116 nan 8.250 nan 0.000 0.444 406 D N 0.190 120.490 120.400 -0.167 0.000 2.178 406 D HA -0.085 4.553 4.640 -0.003 0.000 0.201 406 D C 2.130 178.428 176.300 -0.004 0.000 0.980 406 D CA 0.820 54.774 54.000 -0.076 0.000 0.842 406 D CB 0.226 40.988 40.800 -0.064 0.000 0.948 406 D HN 0.057 nan 8.370 nan 0.000 0.472 407 R N 0.331 120.862 120.500 0.052 0.000 2.052 407 R HA 0.108 4.447 4.340 -0.003 0.000 0.226 407 R C 2.169 178.522 176.300 0.088 0.000 1.145 407 R CA 0.976 57.130 56.100 0.089 0.000 0.952 407 R CB -0.929 29.457 30.300 0.144 0.000 0.847 407 R HN 0.140 nan 8.270 nan 0.000 0.431 408 A N 1.207 124.117 122.820 0.151 0.000 1.859 408 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 408 A C 2.384 179.994 177.584 0.043 0.000 1.242 408 A CA 2.521 54.641 52.037 0.137 0.000 0.661 408 A CB -1.289 17.875 19.000 0.274 0.000 0.842 408 A HN 0.111 nan 8.150 nan 0.000 0.455 409 V N -0.069 119.867 119.914 0.037 0.000 2.230 409 V HA -0.413 3.706 4.120 -0.003 0.000 0.256 409 V C 2.711 178.800 176.094 -0.009 0.000 1.064 409 V CA 3.134 65.437 62.300 0.006 0.000 1.050 409 V CB -1.707 30.107 31.823 -0.014 0.000 0.666 409 V HN 0.764 nan 8.190 nan 0.000 0.457 410 T N -0.992 113.561 114.554 -0.001 0.000 2.718 410 T HA -0.298 4.051 4.350 -0.003 0.000 0.266 410 T C 1.744 176.421 174.700 -0.039 0.000 1.033 410 T CA 1.866 63.966 62.100 -0.000 0.000 1.151 410 T CB -0.357 68.520 68.868 0.015 0.000 0.853 410 T HN 0.455 nan 8.240 nan 0.000 0.466 411 E N 0.698 120.857 120.200 -0.068 0.000 2.028 411 E HA 0.095 4.444 4.350 -0.003 0.000 0.190 411 E C 2.315 178.778 176.600 -0.228 0.000 0.984 411 E CA 0.471 56.779 56.400 -0.153 0.000 0.800 411 E CB -0.577 28.976 29.700 -0.245 0.000 0.758 411 E HN 0.502 nan 8.360 nan 0.000 0.448 412 I N 1.631 122.105 120.570 -0.159 0.000 2.185 412 I HA -0.332 3.837 4.170 -0.003 0.000 0.246 412 I C 2.205 178.298 176.117 -0.040 0.000 1.088 412 I CA 1.091 62.351 61.300 -0.067 0.000 1.347 412 I CB -0.322 37.667 38.000 -0.019 0.000 1.041 412 I HN 0.137 nan 8.210 nan 0.000 0.415 413 N N 0.469 119.141 118.700 -0.047 0.000 2.244 413 N HA -0.108 4.630 4.740 -0.003 0.000 0.183 413 N C 1.814 177.273 175.510 -0.084 0.000 1.016 413 N CA 1.172 54.197 53.050 -0.042 0.000 0.866 413 N CB 0.195 38.682 38.487 0.000 0.000 0.980 413 N HN 0.176 nan 8.380 nan 0.000 0.430 414 V N 1.229 121.065 119.914 -0.130 0.000 2.548 414 V HA -0.087 4.032 4.120 -0.003 0.000 0.249 414 V C 2.375 178.361 176.094 -0.181 0.000 1.055 414 V CA 1.381 63.586 62.300 -0.158 0.000 1.065 414 V CB -0.679 31.031 31.823 -0.188 0.000 0.681 414 V HN 0.230 nan 8.190 nan 0.000 0.462 415 A N 0.325 122.998 122.820 -0.245 0.000 1.828 415 A HA -0.144 4.174 4.320 -0.003 0.000 0.215 415 A C 2.398 179.992 177.584 0.016 0.000 1.203 415 A CA 2.063 54.035 52.037 -0.108 0.000 0.614 415 A CB -0.976 18.156 19.000 0.221 0.000 0.844 415 A HN 0.219 nan 8.150 nan 0.000 0.445 416 V N -0.119 119.797 119.914 0.004 0.000 2.223 416 V HA -0.377 3.741 4.120 -0.003 0.000 0.253 416 V C 2.610 178.737 176.094 0.055 0.000 1.061 416 V CA 2.567 64.894 62.300 0.046 0.000 1.035 416 V CB -0.951 30.867 31.823 -0.008 0.000 0.653 416 V HN 0.592 nan 8.190 nan 0.000 0.454 417 L N -0.773 120.424 121.223 -0.042 0.000 2.010 417 L HA -0.316 4.022 4.340 -0.003 0.000 0.219 417 L C 2.495 179.406 176.870 0.068 0.000 1.077 417 L CA 2.584 57.397 54.840 -0.044 0.000 0.773 417 L CB -0.878 41.135 42.059 -0.077 0.000 0.892 417 L HN 0.560 nan 8.230 nan 0.000 0.436 418 H N -0.729 118.326 119.070 -0.025 0.000 2.257 418 H HA -0.225 4.329 4.556 -0.003 0.000 0.292 418 H C 2.320 177.669 175.328 0.035 0.000 1.075 418 H CA 2.095 58.139 56.048 -0.007 0.000 1.212 418 H CB -0.013 29.727 29.762 -0.037 0.000 1.354 418 H HN 0.330 nan 8.280 nan 0.000 0.497 419 S N 0.518 116.138 115.700 -0.133 0.000 2.435 419 S HA -0.263 4.206 4.470 -0.003 0.000 0.250 419 S C 1.906 176.437 174.600 -0.116 0.000 1.065 419 S CA 1.892 59.985 58.200 -0.179 0.000 1.243 419 S CB -0.997 62.182 63.200 -0.034 0.000 1.158 419 S HN 0.355 nan 8.310 nan 0.000 0.430 420 F N 1.608 121.473 119.950 -0.142 0.000 2.088 420 F HA -0.348 4.178 4.527 -0.003 0.000 0.296 420 F C 2.739 178.463 175.800 -0.127 0.000 1.161 420 F CA 2.354 60.289 58.000 -0.108 0.000 1.236 420 F CB -1.207 37.745 39.000 -0.079 0.000 0.936 420 F HN 0.262 nan 8.300 nan 0.000 0.528 421 Q N -0.168 119.687 119.800 0.091 0.000 2.197 421 Q HA -0.301 4.038 4.340 -0.003 0.000 0.211 421 Q C 2.064 178.017 176.000 -0.079 0.000 0.993 421 Q CA 2.444 58.243 55.803 -0.006 0.000 0.883 421 Q CB -0.420 28.313 28.738 -0.009 0.000 0.916 421 Q HN 0.511 nan 8.270 nan 0.000 0.418 422 K N 0.954 121.255 120.400 -0.167 0.000 1.968 422 K HA -0.161 4.157 4.320 -0.003 0.000 0.215 422 K C 1.396 177.908 176.600 -0.147 0.000 1.040 422 K CA 1.359 57.529 56.287 -0.195 0.000 0.959 422 K CB -0.119 32.170 32.500 -0.351 0.000 0.740 422 K HN 0.167 nan 8.250 nan 0.000 0.443 423 Q N 1.339 121.035 119.800 -0.172 0.000 2.594 423 Q HA -0.087 4.252 4.340 -0.003 0.000 0.215 423 Q C -0.297 175.609 176.000 -0.157 0.000 0.962 423 Q CA 0.184 55.891 55.803 -0.162 0.000 1.003 423 Q CB -0.632 27.987 28.738 -0.199 0.000 1.000 423 Q HN 0.381 nan 8.270 nan 0.000 0.571 424 N N -0.105 118.520 118.700 -0.126 0.000 2.696 424 N HA -0.155 4.583 4.740 -0.003 0.000 0.249 424 N C -1.095 174.351 175.510 -0.107 0.000 1.090 424 N CA 0.722 53.711 53.050 -0.101 0.000 0.716 424 N CB -1.003 37.433 38.487 -0.085 0.000 1.020 424 N HN 0.107 nan 8.380 nan 0.000 0.548 425 V N 0.233 120.062 119.914 -0.141 0.000 2.539 425 V HA 0.315 4.433 4.120 -0.003 0.000 0.292 425 V C 1.134 177.291 176.094 0.104 0.000 1.045 425 V CA -0.693 61.536 62.300 -0.118 0.000 0.945 425 V CB 1.875 33.431 31.823 -0.446 0.000 0.993 425 V HN 0.097 nan 8.190 nan 0.000 0.464 426 T N 5.300 119.902 114.554 0.080 0.000 2.926 426 T HA 0.558 4.907 4.350 -0.003 0.000 0.307 426 T C -0.210 174.582 174.700 0.154 0.000 1.059 426 T CA 0.586 62.676 62.100 -0.018 0.000 1.122 426 T CB 0.477 69.181 68.868 -0.274 0.000 0.972 426 T HN 0.616 nan 8.240 nan 0.000 0.545 427 I N 1.118 121.643 120.570 -0.076 0.000 3.105 427 I HA 0.576 4.744 4.170 -0.003 0.000 0.309 427 I C -1.983 174.059 176.117 -0.124 0.000 1.438 427 I CA -0.999 60.237 61.300 -0.106 0.000 0.938 427 I CB 1.967 39.759 38.000 -0.346 0.000 1.328 427 I HN 0.704 nan 8.210 nan 0.000 0.522 428 M N 4.312 123.883 119.600 -0.048 0.000 2.265 428 M HA 0.303 4.781 4.480 -0.003 0.000 0.262 428 M C -2.001 174.282 176.300 -0.027 0.000 1.026 428 M CA -0.666 54.633 55.300 -0.001 0.000 0.987 428 M CB 1.262 33.947 32.600 0.141 0.000 1.937 428 M HN 0.584 nan 8.290 nan 0.000 0.481 429 D N 4.697 125.048 120.400 -0.082 0.000 2.443 429 D HA -0.028 4.610 4.640 -0.003 0.000 0.239 429 D C 0.985 177.216 176.300 -0.115 0.000 1.136 429 D CA 0.272 54.161 54.000 -0.184 0.000 0.879 429 D CB 0.564 41.254 40.800 -0.183 0.000 1.195 429 D HN 0.836 nan 8.370 nan 0.000 0.443 430 H N 2.278 121.361 119.070 0.022 0.000 2.265 430 H HA -0.225 4.329 4.556 -0.003 0.000 0.295 430 H C 1.494 176.800 175.328 -0.036 0.000 1.084 430 H CA 1.508 57.530 56.048 -0.043 0.000 1.261 430 H CB -0.983 28.689 29.762 -0.149 0.000 1.360 430 H HN 0.598 nan 8.280 nan 0.000 0.487 431 H N 1.291 120.444 119.070 0.139 0.000 2.268 431 H HA -0.160 4.394 4.556 -0.003 0.000 0.288 431 H C 2.562 177.926 175.328 0.060 0.000 1.088 431 H CA 2.768 58.873 56.048 0.096 0.000 1.182 431 H CB -0.703 29.089 29.762 0.050 0.000 1.348 431 H HN 0.585 nan 8.280 nan 0.000 0.499 432 T N 0.111 114.766 114.554 0.169 0.000 2.778 432 T HA -0.151 4.198 4.350 -0.003 0.000 0.269 432 T C 2.260 177.032 174.700 0.121 0.000 1.050 432 T CA 1.315 63.484 62.100 0.115 0.000 1.137 432 T CB -0.615 68.299 68.868 0.076 0.000 0.860 432 T HN 0.492 nan 8.240 nan 0.000 0.468 433 A N 2.176 125.071 122.820 0.125 0.000 1.835 433 A HA -0.061 4.257 4.320 -0.003 0.000 0.215 433 A C 2.722 180.397 177.584 0.151 0.000 1.199 433 A CA 2.019 54.142 52.037 0.144 0.000 0.615 433 A CB -1.268 17.811 19.000 0.130 0.000 0.838 433 A HN 0.496 nan 8.150 nan 0.000 0.444 434 S N 0.414 116.173 115.700 0.099 0.000 2.372 434 S HA -0.231 4.237 4.470 -0.003 0.000 0.227 434 S C 1.798 176.481 174.600 0.139 0.000 1.044 434 S CA 1.633 59.883 58.200 0.083 0.000 1.050 434 S CB -0.566 62.619 63.200 -0.025 0.000 0.901 434 S HN 0.650 nan 8.310 nan 0.000 0.447 435 E N 1.402 121.673 120.200 0.118 0.000 2.097 435 E HA -0.175 4.173 4.350 -0.003 0.000 0.196 435 E C 2.509 179.185 176.600 0.127 0.000 1.000 435 E CA 1.623 58.092 56.400 0.115 0.000 0.804 435 E CB -0.508 29.255 29.700 0.104 0.000 0.740 435 E HN 0.717 nan 8.360 nan 0.000 0.454 436 S N 0.683 116.468 115.700 0.141 0.000 2.377 436 S HA -0.126 4.342 4.470 -0.003 0.000 0.223 436 S C 2.016 176.701 174.600 0.143 0.000 1.030 436 S CA 0.457 58.734 58.200 0.128 0.000 0.970 436 S CB -0.712 62.563 63.200 0.125 0.000 0.830 436 S HN 0.283 nan 8.310 nan 0.000 0.473 437 F N 1.682 121.675 119.950 0.071 0.000 2.120 437 F HA -0.120 4.405 4.527 -0.003 0.000 0.300 437 F C 2.287 178.152 175.800 0.109 0.000 1.095 437 F CA 1.907 59.959 58.000 0.087 0.000 1.249 437 F CB -0.369 38.662 39.000 0.052 0.000 0.995 437 F HN 0.192 nan 8.300 nan 0.000 0.480 438 M N 0.683 120.472 119.600 0.314 0.000 2.080 438 M HA -0.210 4.268 4.480 -0.003 0.000 0.260 438 M C 2.145 178.472 176.300 0.046 0.000 1.068 438 M CA 1.818 57.234 55.300 0.193 0.000 1.109 438 M CB -0.545 32.149 32.600 0.156 0.000 1.342 438 M HN -0.011 nan 8.290 nan 0.000 0.405 439 K N -0.974 119.460 120.400 0.056 0.000 2.160 439 K HA -0.244 4.074 4.320 -0.003 0.000 0.206 439 K C 1.921 178.528 176.600 0.012 0.000 1.047 439 K CA 1.866 58.174 56.287 0.035 0.000 0.930 439 K CB -0.605 31.928 32.500 0.056 0.000 0.720 439 K HN 0.508 nan 8.250 nan 0.000 0.450 440 H N 0.093 119.061 119.070 -0.170 0.000 2.253 440 H HA -0.070 4.485 4.556 -0.003 0.000 0.296 440 H C 1.850 177.038 175.328 -0.233 0.000 1.074 440 H CA 2.659 58.555 56.048 -0.253 0.000 1.263 440 H CB -0.317 29.132 29.762 -0.520 0.000 1.363 440 H HN 0.157 nan 8.280 nan 0.000 0.489 441 M N 0.270 119.643 119.600 -0.379 0.000 2.163 441 M HA -0.305 4.173 4.480 -0.003 0.000 0.258 441 M C 2.444 178.628 176.300 -0.192 0.000 1.071 441 M CA 2.402 57.513 55.300 -0.316 0.000 1.093 441 M CB -0.476 31.989 32.600 -0.224 0.000 1.285 441 M HN 0.505 nan 8.290 nan 0.000 0.420 442 Q N -0.084 119.635 119.800 -0.136 0.000 2.242 442 Q HA -0.231 4.107 4.340 -0.003 0.000 0.211 442 Q C 1.482 177.467 176.000 -0.025 0.000 0.992 442 Q CA 1.649 57.412 55.803 -0.066 0.000 0.889 442 Q CB -0.954 27.767 28.738 -0.030 0.000 0.913 442 Q HN 0.590 nan 8.270 nan 0.000 0.422 443 N N 0.726 119.390 118.700 -0.060 0.000 2.109 443 N HA -0.090 4.648 4.740 -0.003 0.000 0.188 443 N C 1.700 177.167 175.510 -0.072 0.000 1.034 443 N CA 0.912 53.938 53.050 -0.041 0.000 0.846 443 N CB -0.211 38.263 38.487 -0.021 0.000 1.010 443 N HN 0.218 nan 8.380 nan 0.000 0.425 444 E N -0.017 120.063 120.200 -0.201 0.000 2.118 444 E HA -0.174 4.175 4.350 -0.003 0.000 0.195 444 E C 1.652 178.257 176.600 0.008 0.000 0.992 444 E CA 0.990 57.266 56.400 -0.207 0.000 0.804 444 E CB -0.246 29.216 29.700 -0.397 0.000 0.741 444 E HN 0.446 nan 8.360 nan 0.000 0.458 445 Y N 0.565 120.783 120.300 -0.138 0.000 2.176 445 Y HA -0.091 4.457 4.550 -0.003 0.000 0.291 445 Y C 2.538 178.409 175.900 -0.049 0.000 1.122 445 Y CA 1.142 59.200 58.100 -0.070 0.000 1.128 445 Y CB -0.541 37.895 38.460 -0.040 0.000 1.005 445 Y HN -0.049 nan 8.280 nan 0.000 0.509 446 R N 1.008 121.583 120.500 0.125 0.000 2.200 446 R HA -0.123 4.215 4.340 -0.003 0.000 0.234 446 R C 1.696 178.012 176.300 0.026 0.000 1.127 446 R CA 1.252 57.389 56.100 0.062 0.000 0.989 446 R CB -0.583 29.747 30.300 0.050 0.000 0.869 446 R HN 0.312 nan 8.270 nan 0.000 0.459 447 A N 0.836 123.660 122.820 0.006 0.000 1.974 447 A HA 0.023 4.341 4.320 -0.003 0.000 0.219 447 A C 1.607 179.171 177.584 -0.033 0.000 1.479 447 A CA 0.985 53.014 52.037 -0.012 0.000 0.615 447 A CB -0.259 18.719 19.000 -0.037 0.000 1.130 447 A HN 0.410 nan 8.150 nan 0.000 0.497 448 R N -0.500 119.954 120.500 -0.077 0.000 2.546 448 R HA 0.321 4.660 4.340 -0.003 0.000 0.320 448 R C 0.772 176.984 176.300 -0.147 0.000 1.021 448 R CA 0.707 56.755 56.100 -0.088 0.000 1.088 448 R CB -0.426 29.818 30.300 -0.092 0.000 1.278 448 R HN 1.102 nan 8.270 nan 0.000 0.557 449 G N 0.292 108.977 108.800 -0.193 0.000 2.258 449 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.274 449 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.274 449 G C 0.142 174.609 174.900 -0.722 0.000 1.021 449 G CA 0.450 45.320 45.100 -0.384 0.000 0.798 449 G HN 0.841 nan 8.290 nan 0.000 0.507 450 G N -2.846 105.584 108.800 -0.616 0.000 2.649 450 G HA2 0.633 4.591 3.960 -0.003 0.000 0.290 450 G HA3 0.633 4.591 3.960 -0.003 0.000 0.290 450 G C -0.948 173.912 174.900 -0.067 0.000 1.426 450 G CA 0.219 45.062 45.100 -0.428 0.000 0.794 450 G HN 1.442 nan 8.290 nan 0.000 0.483 451 C N 0.928 120.310 119.300 0.136 0.000 2.706 451 C HA 0.345 4.803 4.460 -0.003 0.000 0.393 451 C C -2.724 172.237 174.990 -0.048 0.000 0.830 451 C CA -1.045 58.014 59.018 0.068 0.000 1.151 451 C CB 0.223 28.069 27.740 0.176 0.000 1.416 451 C HN 0.498 nan 8.230 nan 0.000 0.589 452 P HA 0.125 nan 4.420 nan 0.000 0.231 452 P C -0.081 177.116 177.300 -0.173 0.000 1.210 452 P CA 1.056 63.794 63.100 -0.603 0.000 1.332 452 P CB -0.209 31.166 31.700 -0.543 0.000 1.594 453 A N 2.456 125.250 122.820 -0.043 0.000 2.276 453 A HA 0.354 4.672 4.320 -0.003 0.000 0.316 453 A C 0.061 177.686 177.584 0.069 0.000 1.229 453 A CA -0.444 51.646 52.037 0.089 0.000 0.851 453 A CB 0.463 19.582 19.000 0.199 0.000 1.165 453 A HN 0.246 nan 8.150 nan 0.000 0.513 454 D N 2.669 123.109 120.400 0.068 0.000 2.518 454 D HA 0.054 4.692 4.640 -0.003 0.000 0.230 454 D C 0.904 177.326 176.300 0.203 0.000 1.138 454 D CA -0.755 53.315 54.000 0.117 0.000 0.964 454 D CB -0.205 40.626 40.800 0.052 0.000 1.011 454 D HN 0.638 nan 8.370 nan 0.000 0.517 455 W N 4.182 125.482 121.300 -0.000 0.000 2.262 455 W HA -0.332 4.326 4.660 -0.003 0.000 0.331 455 W C 1.726 178.254 176.519 0.015 0.000 1.315 455 W CA 1.607 58.932 57.345 -0.033 0.000 1.302 455 W CB -0.182 29.240 29.460 -0.064 0.000 1.128 455 W HN 0.395 nan 8.180 nan 0.000 0.482 456 I N -0.887 120.036 120.570 0.588 0.000 2.479 456 I HA -0.322 3.846 4.170 -0.003 0.000 0.258 456 I C 1.579 177.817 176.117 0.202 0.000 1.165 456 I CA 1.636 63.215 61.300 0.466 0.000 1.422 456 I CB -0.629 37.643 38.000 0.454 0.000 1.087 456 I HN 0.243 nan 8.210 nan 0.000 0.441 457 W N -0.449 120.823 121.300 -0.047 0.000 2.798 457 W HA 0.182 4.840 4.660 -0.003 0.000 0.260 457 W C 1.881 178.274 176.519 -0.211 0.000 1.165 457 W CA -0.092 57.194 57.345 -0.099 0.000 1.501 457 W CB -0.376 29.059 29.460 -0.042 0.000 1.023 457 W HN -0.175 nan 8.180 nan 0.000 0.615 458 L N 0.850 122.021 121.223 -0.087 0.000 2.737 458 L HA 0.048 4.386 4.340 -0.003 0.000 0.246 458 L C 0.116 176.704 176.870 -0.470 0.000 1.153 458 L CA 0.353 54.997 54.840 -0.326 0.000 0.920 458 L CB -0.886 40.863 42.059 -0.517 0.000 1.090 458 L HN -0.322 nan 8.230 nan 0.000 0.430 459 V N 0.861 120.474 119.914 -0.503 0.000 2.378 459 V HA 0.318 4.437 4.120 -0.003 0.000 0.288 459 V C -1.948 173.893 176.094 -0.421 0.000 1.016 459 V CA -1.732 60.223 62.300 -0.574 0.000 0.840 459 V CB 1.928 33.188 31.823 -0.939 0.000 0.994 459 V HN 0.027 nan 8.190 nan 0.000 0.431 460 P HA 0.014 nan 4.420 nan 0.000 0.259 460 P C -1.894 175.182 177.300 -0.374 0.000 1.163 460 P CA -0.631 62.233 63.100 -0.392 0.000 0.760 460 P CB 0.095 31.472 31.700 -0.538 0.000 0.762 461 P HA -0.112 nan 4.420 nan 0.000 0.227 461 P C 0.074 177.237 177.300 -0.229 0.000 1.145 461 P CA 1.241 64.191 63.100 -0.251 0.000 0.769 461 P CB 0.057 31.627 31.700 -0.217 0.000 0.769 462 V N -6.968 112.761 119.914 -0.308 0.000 2.969 462 V HA 0.636 4.754 4.120 -0.003 0.000 0.304 462 V C 0.429 176.312 176.094 -0.352 0.000 1.192 462 V CA -0.454 61.690 62.300 -0.260 0.000 0.962 462 V CB 1.358 33.069 31.823 -0.186 0.000 1.045 462 V HN -0.132 nan 8.190 nan 0.000 0.428 463 S N 1.832 117.387 115.700 -0.242 0.000 3.244 463 S HA -0.164 4.305 4.470 -0.003 0.000 0.279 463 S C 1.641 176.054 174.600 -0.312 0.000 1.293 463 S CA 1.786 59.849 58.200 -0.229 0.000 0.990 463 S CB -1.308 61.772 63.200 -0.201 0.000 1.202 463 S HN 2.471 nan 8.310 nan 0.000 0.666 464 G N 1.849 110.453 108.800 -0.326 0.000 2.839 464 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.221 464 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.221 464 G C 1.367 175.910 174.900 -0.594 0.000 1.271 464 G CA 1.833 46.710 45.100 -0.371 0.000 0.789 464 G HN 1.340 nan 8.290 nan 0.000 0.659 465 S N 0.500 115.602 115.700 -0.996 0.000 2.484 465 S HA -0.135 4.334 4.470 -0.003 0.000 0.250 465 S C 2.054 176.455 174.600 -0.333 0.000 0.995 465 S CA 1.499 59.105 58.200 -0.989 0.000 0.967 465 S CB -0.206 62.597 63.200 -0.661 0.000 0.752 465 S HN 0.348 nan 8.310 nan 0.000 0.517 466 I N 1.322 121.742 120.570 -0.250 0.000 3.035 466 I HA 0.018 4.187 4.170 -0.003 0.000 0.271 466 I C 1.477 177.549 176.117 -0.076 0.000 1.190 466 I CA 0.565 61.823 61.300 -0.070 0.000 1.472 466 I CB -0.231 37.780 38.000 0.019 0.000 1.116 466 I HN 0.283 nan 8.210 nan 0.000 0.443 467 T N 0.060 114.488 114.554 -0.210 0.000 2.869 467 T HA 0.186 4.534 4.350 -0.003 0.000 0.295 467 T C -1.418 173.175 174.700 -0.178 0.000 0.987 467 T CA -1.794 60.191 62.100 -0.192 0.000 1.109 467 T CB 1.233 69.931 68.868 -0.284 0.000 0.932 467 T HN -0.059 nan 8.240 nan 0.000 0.518 468 P HA -0.079 nan 4.420 nan 0.000 0.219 468 P C 1.185 178.445 177.300 -0.068 0.000 1.146 468 P CA 0.866 63.936 63.100 -0.051 0.000 0.808 468 P CB -0.450 31.280 31.700 0.050 0.000 0.779 469 V N -3.844 116.015 119.914 -0.091 0.000 2.159 469 V HA 0.180 4.298 4.120 -0.003 0.000 0.296 469 V C 0.770 176.762 176.094 -0.169 0.000 1.762 469 V CA 0.347 62.570 62.300 -0.128 0.000 1.708 469 V CB -2.110 29.553 31.823 -0.267 0.000 1.484 469 V HN -0.040 nan 8.190 nan 0.000 0.512 470 F N 1.215 121.040 119.950 -0.209 0.000 2.665 470 F HA 0.365 4.891 4.527 -0.003 0.000 0.328 470 F C 1.635 177.617 175.800 0.303 0.000 0.848 470 F CA 0.283 58.297 58.000 0.023 0.000 1.071 470 F CB 0.584 39.431 39.000 -0.255 0.000 0.906 470 F HN 0.358 nan 8.300 nan 0.000 0.654 471 H N -0.048 119.271 119.070 0.415 0.000 2.537 471 H HA 0.263 4.818 4.556 -0.003 0.000 0.295 471 H C -0.200 175.227 175.328 0.164 0.000 1.054 471 H CA -0.238 55.965 56.048 0.257 0.000 1.156 471 H CB 0.177 30.084 29.762 0.241 0.000 1.468 471 H HN -0.028 nan 8.280 nan 0.000 0.551 472 Q N 1.968 121.914 119.800 0.242 0.000 2.348 472 Q HA 0.192 4.530 4.340 -0.003 0.000 0.265 472 Q C -0.843 175.262 176.000 0.175 0.000 0.998 472 Q CA -0.580 55.327 55.803 0.174 0.000 0.831 472 Q CB 0.928 29.753 28.738 0.145 0.000 1.251 472 Q HN 0.358 nan 8.270 nan 0.000 0.456 473 E N 3.883 124.141 120.200 0.097 0.000 2.289 473 E HA 0.410 4.758 4.350 -0.003 0.000 0.278 473 E C -0.527 176.129 176.600 0.092 0.000 1.032 473 E CA -0.162 56.270 56.400 0.053 0.000 0.854 473 E CB 0.618 30.331 29.700 0.022 0.000 1.046 473 E HN 0.682 nan 8.360 nan 0.000 0.409 474 M N 3.326 122.990 119.600 0.107 0.000 2.421 474 M HA 0.420 4.898 4.480 -0.003 0.000 0.287 474 M C -1.911 174.470 176.300 0.135 0.000 1.183 474 M CA -1.076 54.312 55.300 0.147 0.000 0.916 474 M CB 1.240 33.948 32.600 0.180 0.000 1.701 474 M HN 0.299 nan 8.290 nan 0.000 0.470 475 L N 1.746 123.075 121.223 0.177 0.000 2.329 475 L HA 0.724 5.062 4.340 -0.003 0.000 0.279 475 L C -0.627 176.359 176.870 0.193 0.000 1.014 475 L CA -0.617 54.338 54.840 0.191 0.000 0.814 475 L CB 1.491 43.687 42.059 0.229 0.000 1.257 475 L HN 0.951 nan 8.230 nan 0.000 0.424 476 N N 1.190 119.966 118.700 0.127 0.000 2.432 476 N HA 0.824 5.563 4.740 -0.003 0.000 0.292 476 N C -1.542 174.001 175.510 0.054 0.000 1.193 476 N CA -0.734 52.267 53.050 -0.082 0.000 0.878 476 N CB 1.905 40.364 38.487 -0.048 0.000 1.252 476 N HN 0.729 nan 8.380 nan 0.000 0.520 477 Y N -2.789 117.530 120.300 0.032 0.000 2.457 477 Y HA 0.313 4.861 4.550 -0.003 0.000 0.322 477 Y C -1.503 174.373 175.900 -0.040 0.000 1.218 477 Y CA -1.551 56.538 58.100 -0.018 0.000 1.116 477 Y CB 0.191 38.637 38.460 -0.024 0.000 1.335 477 Y HN 0.240 nan 8.280 nan 0.000 0.452 478 V N 5.025 124.910 119.914 -0.048 0.000 2.529 478 V HA 0.142 4.260 4.120 -0.003 0.000 0.292 478 V C 0.405 176.377 176.094 -0.203 0.000 1.028 478 V CA 0.332 62.366 62.300 -0.443 0.000 1.074 478 V CB 0.123 31.478 31.823 -0.779 0.000 0.958 478 V HN 0.772 nan 8.190 nan 0.000 0.481 479 L N 3.288 124.449 121.223 -0.104 0.000 2.778 479 L HA 0.724 5.062 4.340 -0.003 0.000 0.246 479 L C 0.045 176.932 176.870 0.029 0.000 1.820 479 L CA -0.583 54.277 54.840 0.034 0.000 1.986 479 L CB 1.703 43.843 42.059 0.134 0.000 2.298 479 L HN 0.565 nan 8.230 nan 0.000 0.580 480 S N -0.796 114.939 115.700 0.058 0.000 2.535 480 S HA 0.488 4.957 4.470 -0.003 0.000 0.272 480 S C -2.608 171.984 174.600 -0.014 0.000 1.149 480 S CA -0.625 57.594 58.200 0.031 0.000 0.888 480 S CB 2.323 65.509 63.200 -0.023 0.000 1.110 480 S HN 0.213 nan 8.310 nan 0.000 0.463 481 P HA 0.533 nan 4.420 nan 0.000 0.280 481 P C -1.082 176.250 177.300 0.052 0.000 1.278 481 P CA -0.233 62.808 63.100 -0.100 0.000 0.787 481 P CB 0.349 31.901 31.700 -0.245 0.000 1.163 482 F N -1.631 118.207 119.950 -0.186 0.000 2.669 482 F HA 0.343 4.869 4.527 -0.003 0.000 0.315 482 F C -1.628 174.056 175.800 -0.194 0.000 1.109 482 F CA -0.774 57.116 58.000 -0.184 0.000 1.028 482 F CB 0.858 39.773 39.000 -0.141 0.000 1.287 482 F HN 0.127 nan 8.300 nan 0.000 0.452 483 Y N 5.354 125.413 120.300 -0.403 0.000 2.365 483 Y HA 0.401 4.950 4.550 -0.003 0.000 0.340 483 Y C -0.661 175.160 175.900 -0.133 0.000 1.016 483 Y CA -0.039 57.922 58.100 -0.231 0.000 1.196 483 Y CB 0.393 38.570 38.460 -0.471 0.000 1.167 483 Y HN 0.412 nan 8.280 nan 0.000 0.509 484 Y N 1.047 121.485 120.300 0.230 0.000 2.568 484 Y HA 0.378 4.926 4.550 -0.003 0.000 0.327 484 Y C -0.226 175.863 175.900 0.315 0.000 1.163 484 Y CA -1.419 56.894 58.100 0.354 0.000 1.219 484 Y CB 0.634 39.257 38.460 0.273 0.000 1.308 484 Y HN 0.420 nan 8.280 nan 0.000 0.503 485 Y N 0.325 120.768 120.300 0.238 0.000 2.344 485 Y HA 0.444 4.992 4.550 -0.003 0.000 0.330 485 Y C -0.042 175.923 175.900 0.109 0.000 1.330 485 Y CA -1.077 57.095 58.100 0.119 0.000 1.479 485 Y CB 0.592 39.096 38.460 0.073 0.000 1.428 485 Y HN 0.410 nan 8.280 nan 0.000 0.544 486 Q N -0.043 119.866 119.800 0.181 0.000 2.534 486 Q HA 0.367 4.705 4.340 -0.003 0.000 0.290 486 Q C -1.743 174.245 176.000 -0.020 0.000 0.991 486 Q CA -1.140 54.702 55.803 0.064 0.000 0.783 486 Q CB 2.607 31.354 28.738 0.015 0.000 1.470 486 Q HN 0.318 nan 8.270 nan 0.000 0.406 487 I N 1.890 122.412 120.570 -0.080 0.000 2.575 487 I HA -0.016 4.152 4.170 -0.003 0.000 0.285 487 I C 0.454 176.357 176.117 -0.357 0.000 1.085 487 I CA 0.055 61.254 61.300 -0.167 0.000 1.403 487 I CB 0.440 38.352 38.000 -0.146 0.000 1.409 487 I HN 0.355 nan 8.210 nan 0.000 0.557 488 E N 7.976 127.851 120.200 -0.542 0.000 2.614 488 E HA -0.077 4.271 4.350 -0.003 0.000 0.245 488 E C -1.615 174.291 176.600 -1.157 0.000 1.039 488 E CA -0.937 54.782 56.400 -1.135 0.000 0.948 488 E CB -0.083 28.646 29.700 -1.618 0.000 0.937 488 E HN 0.351 nan 8.360 nan 0.000 0.498 489 P HA -0.235 nan 4.420 nan 0.000 0.219 489 P C 1.238 178.030 177.300 -0.847 0.000 1.161 489 P CA 1.838 64.371 63.100 -0.945 0.000 0.909 489 P CB -0.260 30.513 31.700 -1.545 0.000 0.793 490 W N 0.511 121.305 121.300 -0.843 0.000 2.424 490 W HA -0.075 4.583 4.660 -0.003 0.000 0.264 490 W C 1.544 178.057 176.519 -0.011 0.000 1.229 490 W CA 0.731 57.875 57.345 -0.336 0.000 1.208 490 W CB -1.418 28.015 29.460 -0.044 0.000 1.127 490 W HN -0.058 nan 8.180 nan 0.000 0.588 491 K N 0.715 120.922 120.400 -0.322 0.000 1.991 491 K HA -0.045 4.274 4.320 -0.003 0.000 0.207 491 K C 1.153 177.743 176.600 -0.016 0.000 1.045 491 K CA 1.783 57.997 56.287 -0.121 0.000 0.937 491 K CB -1.067 31.285 32.500 -0.246 0.000 0.720 491 K HN 0.184 nan 8.250 nan 0.000 0.438 492 T N -0.113 114.388 114.554 -0.088 0.000 3.471 492 T HA 0.212 4.561 4.350 -0.003 0.000 0.355 492 T C -0.946 173.779 174.700 0.041 0.000 1.775 492 T CA -0.655 61.433 62.100 -0.018 0.000 1.305 492 T CB -0.336 68.498 68.868 -0.056 0.000 1.171 492 T HN 0.187 nan 8.240 nan 0.000 0.776 493 H N 2.765 121.839 119.070 0.005 0.000 3.108 493 H HA 0.483 5.038 4.556 -0.003 0.000 0.329 493 H C -0.512 174.851 175.328 0.058 0.000 0.978 493 H CA -1.290 54.741 56.048 -0.028 0.000 1.413 493 H CB 0.566 30.246 29.762 -0.137 0.000 1.670 493 H HN 0.521 nan 8.280 nan 0.000 0.512 494 I N 2.293 122.598 120.570 -0.442 0.000 2.460 494 I HA 0.095 4.263 4.170 -0.003 0.000 0.297 494 I C -0.339 175.519 176.117 -0.431 0.000 1.139 494 I CA -0.326 60.817 61.300 -0.262 0.000 1.340 494 I CB -0.659 37.231 38.000 -0.183 0.000 1.444 494 I HN 0.474 nan 8.210 nan 0.000 0.557 495 W N 6.192 127.422 121.300 -0.116 0.000 2.518 495 W HA 0.212 4.870 4.660 -0.003 0.000 0.439 495 W C 1.468 178.015 176.519 0.046 0.000 1.075 495 W CA -0.212 57.175 57.345 0.069 0.000 1.646 495 W CB -0.029 29.550 29.460 0.198 0.000 1.721 495 W HN 0.682 nan 8.180 nan 0.000 0.386 496 Q N 0.478 120.341 119.800 0.105 0.000 2.458 496 Q HA -0.272 4.066 4.340 -0.003 0.000 0.215 496 Q C 0.845 176.944 176.000 0.165 0.000 0.989 496 Q CA 1.270 57.133 55.803 0.101 0.000 0.895 496 Q CB -0.452 28.318 28.738 0.054 0.000 0.934 496 Q HN 0.228 nan 8.270 nan 0.000 0.475 497 N N 1.492 120.360 118.700 0.280 0.000 2.400 497 N HA 0.013 4.751 4.740 -0.003 0.000 0.278 497 N C -0.999 174.620 175.510 0.182 0.000 1.247 497 N CA 0.228 53.432 53.050 0.256 0.000 0.970 497 N CB 0.274 38.990 38.487 0.382 0.000 1.312 497 N HN 0.251 nan 8.380 nan 0.000 0.488 498 E N 0.000 120.274 120.200 0.123 0.000 2.725 498 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 498 E CA 0.000 56.454 56.400 0.091 0.000 0.976 498 E CB 0.000 29.745 29.700 0.075 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440