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 1m8e_1_B 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 IEPWKTHIW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.189 176.000 0.315 0.000 1.003 77 Q CA 0.000 55.843 55.803 0.066 0.000 1.022 77 Q CB 0.000 28.641 28.738 -0.161 0.000 1.108 78 Y N -1.970 118.503 120.300 0.290 0.000 2.900 78 Y HA 0.856 5.406 4.550 0.000 0.000 0.318 78 Y C -1.274 174.760 175.900 0.224 0.000 1.457 78 Y CA -1.264 57.042 58.100 0.344 0.000 1.082 78 Y CB 0.694 39.309 38.460 0.259 0.000 1.419 78 Y HN 0.178 nan 8.280 nan 0.000 0.459 79 V N 1.721 121.967 119.914 0.553 0.000 2.577 79 V HA 0.501 4.621 4.120 0.000 0.000 0.303 79 V C -0.499 175.741 176.094 0.243 0.000 1.042 79 V CA -0.963 61.478 62.300 0.234 0.000 0.872 79 V CB 1.659 33.395 31.823 -0.144 0.000 0.998 79 V HN 0.771 nan 8.190 nan 0.000 0.423 80 R N 4.177 124.809 120.500 0.220 0.000 2.347 80 R HA 0.588 4.928 4.340 0.000 0.000 0.304 80 R C -1.083 175.209 176.300 -0.013 0.000 1.072 80 R CA -0.091 56.055 56.100 0.078 0.000 0.980 80 R CB 0.474 30.849 30.300 0.124 0.000 0.986 80 R HN 0.695 nan 8.270 nan 0.000 0.448 81 I N 4.769 125.281 120.570 -0.096 0.000 2.439 81 I HA 0.236 4.406 4.170 0.000 0.000 0.285 81 I C -0.469 175.571 176.117 -0.128 0.000 1.021 81 I CA -0.682 60.575 61.300 -0.071 0.000 1.091 81 I CB 1.898 39.866 38.000 -0.054 0.000 1.242 81 I HN 0.524 nan 8.210 nan 0.000 0.439 82 K N 5.332 125.654 120.400 -0.132 0.000 2.138 82 K HA 0.333 4.653 4.320 0.000 0.000 0.263 82 K C -0.459 175.992 176.600 -0.247 0.000 0.965 82 K CA -0.603 55.512 56.287 -0.286 0.000 0.868 82 K CB 1.245 33.425 32.500 -0.533 0.000 1.083 82 K HN 0.452 nan 8.250 nan 0.000 0.443 83 N N 4.352 122.901 118.700 -0.252 0.000 2.609 83 N HA 0.090 4.830 4.740 0.000 0.000 0.234 83 N C -0.365 175.066 175.510 -0.131 0.000 1.001 83 N CA -0.469 52.522 53.050 -0.097 0.000 0.926 83 N CB 0.259 38.713 38.487 -0.055 0.000 1.130 83 N HN 0.656 nan 8.380 nan 0.000 0.510 84 W N 2.222 123.529 121.300 0.012 0.000 2.662 84 W HA 0.087 4.747 4.660 0.000 0.000 0.249 84 W C 1.945 178.473 176.519 0.016 0.000 1.251 84 W CA 0.424 57.779 57.345 0.017 0.000 1.277 84 W CB 0.104 29.574 29.460 0.017 0.000 1.140 84 W HN 0.626 nan 8.180 nan 0.000 0.645 85 G N -1.300 107.593 108.800 0.156 0.000 2.486 85 G HA2 -0.104 3.856 3.960 0.000 0.000 0.210 85 G HA3 -0.104 3.856 3.960 0.000 0.000 0.210 85 G C 1.495 176.431 174.900 0.060 0.000 1.168 85 G CA 0.831 45.995 45.100 0.107 0.000 0.820 85 G HN 0.170 nan 8.290 nan 0.000 0.544 86 S N -0.242 115.471 115.700 0.022 0.000 2.503 86 S HA 0.325 4.795 4.470 0.000 0.000 0.215 86 S C 1.965 176.545 174.600 -0.033 0.000 1.003 86 S CA 0.908 59.107 58.200 -0.001 0.000 0.910 86 S CB 0.433 63.626 63.200 -0.012 0.000 0.790 86 S HN 1.109 nan 8.310 nan 0.000 0.514 87 G N 2.063 110.817 108.800 -0.076 0.000 2.304 87 G HA2 -0.346 3.614 3.960 0.000 0.000 0.252 87 G HA3 -0.346 3.614 3.960 0.000 0.000 0.252 87 G C 0.047 174.844 174.900 -0.172 0.000 1.014 87 G CA 0.433 45.447 45.100 -0.142 0.000 0.619 87 G HN 0.556 nan 8.290 nan 0.000 0.525 88 E N 0.668 120.796 120.200 -0.119 0.000 2.534 88 E HA 0.308 4.658 4.350 0.000 0.000 0.264 88 E C 0.229 176.730 176.600 -0.165 0.000 0.981 88 E CA 0.264 56.596 56.400 -0.113 0.000 0.948 88 E CB 0.081 29.736 29.700 -0.074 0.000 0.934 88 E HN 0.463 nan 8.360 nan 0.000 0.459 89 I N 4.691 125.157 120.570 -0.174 0.000 2.646 89 I HA 0.371 4.541 4.170 0.000 0.000 0.299 89 I C -0.506 175.425 176.117 -0.309 0.000 1.036 89 I CA -0.881 60.273 61.300 -0.245 0.000 1.074 89 I CB 1.425 39.270 38.000 -0.258 0.000 1.258 89 I HN 0.405 nan 8.210 nan 0.000 0.430 90 L N 4.185 125.190 121.223 -0.363 0.000 2.371 90 L HA 0.490 4.830 4.340 0.000 0.000 0.262 90 L C -1.351 175.210 176.870 -0.515 0.000 1.006 90 L CA -0.897 53.723 54.840 -0.367 0.000 0.818 90 L CB 2.158 44.120 42.059 -0.161 0.000 1.354 90 L HN 0.538 nan 8.230 nan 0.000 0.415 91 H N 0.112 119.046 119.070 -0.227 0.000 2.638 91 H HA 0.200 4.756 4.556 0.000 0.000 0.303 91 H C -0.837 174.393 175.328 -0.162 0.000 1.034 91 H CA -0.655 55.152 56.048 -0.401 0.000 1.225 91 H CB 1.002 30.126 29.762 -1.063 0.000 1.394 91 H HN 0.352 nan 8.280 nan 0.000 0.477 92 D N 2.554 123.003 120.400 0.082 0.000 2.358 92 D HA 0.005 4.645 4.640 0.000 0.000 0.258 92 D C 0.368 176.892 176.300 0.373 0.000 1.223 92 D CA 0.347 54.453 54.000 0.176 0.000 0.886 92 D CB 1.135 42.005 40.800 0.115 0.000 1.120 92 D HN 0.579 nan 8.370 nan 0.000 0.482 93 T N 3.806 118.525 114.554 0.275 0.000 2.980 93 T HA -0.083 4.268 4.350 0.000 0.000 0.239 93 T C 1.842 176.656 174.700 0.189 0.000 1.011 93 T CA -0.148 62.117 62.100 0.276 0.000 1.171 93 T CB -0.178 68.797 68.868 0.180 0.000 0.873 93 T HN 0.294 nan 8.240 nan 0.000 0.431 94 L N 2.538 123.847 121.223 0.143 0.000 2.211 94 L HA -0.239 4.101 4.340 0.000 0.000 0.216 94 L C 2.162 179.066 176.870 0.057 0.000 1.092 94 L CA 2.167 57.064 54.840 0.094 0.000 0.767 94 L CB -0.922 41.189 42.059 0.086 0.000 0.894 94 L HN 0.632 nan 8.230 nan 0.000 0.437 95 H N -3.903 115.169 119.070 0.002 0.000 2.566 95 H HA -0.150 4.406 4.556 0.000 0.000 0.285 95 H C 1.676 176.940 175.328 -0.107 0.000 1.041 95 H CA 1.714 57.725 56.048 -0.062 0.000 1.207 95 H CB -0.736 28.968 29.762 -0.098 0.000 1.353 95 H HN 0.591 nan 8.280 nan 0.000 0.604 96 H N 0.557 119.430 119.070 -0.329 0.000 2.482 96 H HA 0.101 4.657 4.556 0.000 0.000 0.286 96 H C 1.166 176.444 175.328 -0.085 0.000 1.017 96 H CA 0.643 56.545 56.048 -0.244 0.000 1.322 96 H CB 0.438 30.057 29.762 -0.238 0.000 1.426 96 H HN 0.245 nan 8.280 nan 0.000 0.546 97 K N 1.165 121.600 120.400 0.060 0.000 2.630 97 K HA 0.224 4.545 4.320 0.000 0.000 0.204 97 K C 0.552 177.175 176.600 0.038 0.000 1.024 97 K CA 0.041 56.356 56.287 0.046 0.000 1.157 97 K CB -0.024 32.500 32.500 0.040 0.000 0.899 97 K HN 0.172 nan 8.250 nan 0.000 0.501 98 A N 1.577 124.420 122.820 0.038 0.000 2.346 98 A HA 0.273 4.593 4.320 0.000 0.000 0.255 98 A C 1.070 178.674 177.584 0.033 0.000 1.113 98 A CA 0.109 52.169 52.037 0.038 0.000 0.798 98 A CB 0.218 19.246 19.000 0.046 0.000 1.073 98 A HN 0.409 nan 8.150 nan 0.000 0.502 99 T N -2.145 112.427 114.554 0.029 0.000 2.548 99 T HA 0.514 4.864 4.350 0.000 0.000 0.214 99 T C 0.850 175.563 174.700 0.022 0.000 0.873 99 T CA 0.279 62.393 62.100 0.023 0.000 1.180 99 T CB -0.430 68.450 68.868 0.019 0.000 1.960 99 T HN 0.563 nan 8.240 nan 0.000 0.505 110 L N 4.813 126.050 121.223 0.023 0.000 2.791 110 L HA 0.312 4.652 4.340 0.000 0.000 0.239 110 L C 2.047 178.955 176.870 0.064 0.000 1.203 110 L CA 0.739 55.599 54.840 0.035 0.000 1.002 110 L CB -0.028 42.050 42.059 0.031 0.000 1.295 110 L HN 0.972 nan 8.230 nan 0.000 0.504 111 G N -0.337 108.501 108.800 0.064 0.000 2.462 111 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 111 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 111 G C 1.599 176.577 174.900 0.130 0.000 1.121 111 G CA 1.081 46.234 45.100 0.089 0.000 0.758 111 G HN 0.377 nan 8.290 nan 0.000 0.559 112 S N -0.306 115.465 115.700 0.119 0.000 2.593 112 S HA 0.231 4.701 4.470 0.000 0.000 0.217 112 S C 0.903 175.608 174.600 0.175 0.000 0.966 112 S CA -0.576 57.712 58.200 0.148 0.000 0.914 112 S CB -0.273 62.995 63.200 0.114 0.000 0.776 112 S HN 0.058 nan 8.310 nan 0.000 0.523 113 I N 2.427 123.094 120.570 0.162 0.000 2.519 113 I HA 0.144 4.314 4.170 0.000 0.000 0.287 113 I C 1.545 177.797 176.117 0.224 0.000 1.047 113 I CA 0.017 61.427 61.300 0.184 0.000 1.381 113 I CB 0.731 38.812 38.000 0.136 0.000 1.417 113 I HN 0.278 nan 8.210 nan 0.000 0.540 114 M N 3.935 123.691 119.600 0.260 0.000 2.074 114 M HA -0.056 4.424 4.480 0.000 0.000 0.258 114 M C 0.471 176.837 176.300 0.110 0.000 1.083 114 M CA 1.592 57.019 55.300 0.211 0.000 1.128 114 M CB -0.346 32.344 32.600 0.150 0.000 1.301 114 M HN 0.476 nan 8.290 nan 0.000 0.417 115 N N 1.553 120.303 118.700 0.084 0.000 3.112 115 N HA 0.290 5.030 4.740 0.000 0.000 0.270 115 N C -2.414 173.162 175.510 0.111 0.000 1.385 115 N CA -0.836 52.216 53.050 0.003 0.000 0.986 115 N CB 0.396 38.817 38.487 -0.110 0.000 1.261 115 N HN 0.275 nan 8.380 nan 0.000 0.495 116 P HA 0.141 nan 4.420 nan 0.000 0.271 116 P C 0.508 177.888 177.300 0.133 0.000 1.218 116 P CA -0.237 62.938 63.100 0.125 0.000 0.780 116 P CB 1.753 33.523 31.700 0.117 0.000 0.901 117 K N 0.843 121.302 120.400 0.098 0.000 2.360 117 K HA -0.089 4.231 4.320 0.000 0.000 0.201 117 K C 1.869 178.525 176.600 0.092 0.000 1.046 117 K CA 1.598 57.937 56.287 0.086 0.000 0.940 117 K CB -0.246 32.286 32.500 0.054 0.000 0.748 117 K HN 0.540 nan 8.250 nan 0.000 0.465 118 S N 0.173 115.933 115.700 0.100 0.000 2.489 118 S HA -0.034 4.436 4.470 0.000 0.000 0.228 118 S C 1.414 176.120 174.600 0.176 0.000 0.995 118 S CA 0.539 58.797 58.200 0.097 0.000 0.934 118 S CB 0.082 63.324 63.200 0.070 0.000 0.771 118 S HN 0.087 nan 8.310 nan 0.000 0.522 119 L N 1.539 122.905 121.223 0.239 0.000 2.769 119 L HA 0.452 4.792 4.340 0.000 0.000 0.240 119 L C 0.036 177.196 176.870 0.484 0.000 1.163 119 L CA 0.454 55.514 54.840 0.367 0.000 0.962 119 L CB 0.173 42.397 42.059 0.275 0.000 1.258 119 L HN 0.206 nan 8.230 nan 0.000 0.513 120 T N -0.757 113.995 114.554 0.330 0.000 2.912 120 T HA 0.569 4.919 4.350 0.000 0.000 0.288 120 T C -0.452 174.270 174.700 0.036 0.000 1.030 120 T CA -0.519 61.729 62.100 0.246 0.000 1.020 120 T CB 2.417 71.388 68.868 0.171 0.000 1.056 120 T HN -0.161 nan 8.240 nan 0.000 0.480 121 R N 1.241 121.737 120.500 -0.007 0.000 2.576 121 R HA 0.531 4.871 4.340 0.000 0.000 0.283 121 R C 0.365 176.635 176.300 -0.050 0.000 1.493 121 R CA -0.344 55.666 56.100 -0.150 0.000 1.170 121 R CB 0.219 30.323 30.300 -0.326 0.000 1.189 121 R HN 0.859 nan 8.270 nan 0.000 0.542 122 G N 2.902 111.677 108.800 -0.043 0.000 2.631 122 G HA2 0.263 4.223 3.960 0.000 0.000 0.271 122 G HA3 0.263 4.223 3.960 0.000 0.000 0.271 122 G C -1.894 172.991 174.900 -0.026 0.000 1.302 122 G CA -0.871 44.212 45.100 -0.028 0.000 1.002 122 G HN 0.428 nan 8.290 nan 0.000 0.519 123 P HA 0.342 nan 4.420 nan 0.000 0.272 123 P C -0.117 177.179 177.300 -0.008 0.000 1.248 123 P CA -0.062 63.033 63.100 -0.008 0.000 0.799 123 P CB 0.458 32.154 31.700 -0.006 0.000 0.997 124 R N -0.130 120.369 120.500 -0.001 0.000 2.869 124 R HA 0.494 4.834 4.340 0.000 0.000 0.263 124 R C -0.283 176.015 176.300 -0.004 0.000 1.066 124 R CA -0.308 55.789 56.100 -0.006 0.000 0.960 124 R CB 0.949 31.244 30.300 -0.008 0.000 1.221 124 R HN 0.278 nan 8.270 nan 0.000 0.474 125 D N -0.802 119.591 120.400 -0.011 0.000 2.345 125 D HA 0.238 4.878 4.640 0.000 0.000 0.290 125 D C -0.917 175.367 176.300 -0.025 0.000 1.107 125 D CA 0.407 54.398 54.000 -0.015 0.000 0.836 125 D CB 0.822 41.616 40.800 -0.010 0.000 1.406 125 D HN 0.279 nan 8.370 nan 0.000 0.532 126 K N 0.416 120.801 120.400 -0.024 0.000 2.508 126 K HA 0.534 4.854 4.320 0.000 0.000 0.260 126 K C -2.871 173.713 176.600 -0.026 0.000 0.949 126 K CA -1.753 54.517 56.287 -0.028 0.000 0.834 126 K CB 2.572 35.060 32.500 -0.021 0.000 1.365 126 K HN -0.267 nan 8.250 nan 0.000 0.437 127 P HA -0.046 nan 4.420 nan 0.000 0.271 127 P C -0.498 176.794 177.300 -0.013 0.000 1.216 127 P CA -0.165 62.922 63.100 -0.021 0.000 0.776 127 P CB 0.498 32.187 31.700 -0.019 0.000 0.881 128 T N 4.406 118.955 114.554 -0.008 0.000 2.778 128 T HA 0.058 4.408 4.350 0.000 0.000 0.282 128 T C -1.902 172.795 174.700 -0.004 0.000 0.983 128 T CA -1.287 60.812 62.100 -0.002 0.000 1.193 128 T CB -0.821 68.055 68.868 0.013 0.000 0.938 128 T HN 0.238 nan 8.240 nan 0.000 0.523 129 P HA -0.078 nan 4.420 nan 0.000 0.260 129 P C 1.436 178.720 177.300 -0.026 0.000 1.172 129 P CA -0.500 62.588 63.100 -0.019 0.000 0.760 129 P CB 0.456 32.142 31.700 -0.023 0.000 0.773 130 L N 4.034 125.245 121.223 -0.021 0.000 2.085 130 L HA -0.247 4.093 4.340 0.000 0.000 0.218 130 L C 2.237 179.079 176.870 -0.046 0.000 1.080 130 L CA 2.344 57.169 54.840 -0.025 0.000 0.776 130 L CB -0.963 41.084 42.059 -0.020 0.000 0.891 130 L HN 0.450 nan 8.230 nan 0.000 0.437 131 E N 0.500 120.671 120.200 -0.049 0.000 2.085 131 E HA -0.271 4.079 4.350 0.000 0.000 0.194 131 E C 1.742 178.278 176.600 -0.106 0.000 0.994 131 E CA 1.826 58.188 56.400 -0.064 0.000 0.801 131 E CB -0.532 29.137 29.700 -0.051 0.000 0.743 131 E HN 0.851 nan 8.360 nan 0.000 0.453 132 E N 0.703 120.829 120.200 -0.124 0.000 2.276 132 E HA 0.010 4.360 4.350 0.000 0.000 0.193 132 E C 2.276 178.681 176.600 -0.325 0.000 0.983 132 E CA 0.017 56.276 56.400 -0.235 0.000 0.861 132 E CB -0.210 29.393 29.700 -0.162 0.000 0.817 132 E HN 0.101 nan 8.360 nan 0.000 0.485 133 L N 0.993 122.136 121.223 -0.133 0.000 2.109 133 L HA -0.021 4.319 4.340 0.000 0.000 0.207 133 L C 2.100 178.950 176.870 -0.033 0.000 1.086 133 L CA 1.073 55.893 54.840 -0.034 0.000 0.760 133 L CB -0.421 41.654 42.059 0.026 0.000 0.910 133 L HN 0.311 nan 8.230 nan 0.000 0.437 134 L N 1.055 122.232 121.223 -0.076 0.000 2.027 134 L HA -0.005 4.335 4.340 0.000 0.000 0.206 134 L C -0.509 176.327 176.870 -0.057 0.000 1.074 134 L CA 1.783 56.577 54.840 -0.075 0.000 0.745 134 L CB -1.940 40.077 42.059 -0.071 0.000 0.898 134 L HN 0.082 nan 8.230 nan 0.000 0.433 135 P HA -0.113 nan 4.420 nan 0.000 0.217 135 P C 1.168 178.520 177.300 0.088 0.000 1.150 135 P CA 1.308 64.390 63.100 -0.030 0.000 0.832 135 P CB -0.090 31.559 31.700 -0.086 0.000 0.787 136 H N -0.423 118.676 119.070 0.048 0.000 2.353 136 H HA 0.007 4.564 4.556 0.000 0.000 0.300 136 H C 1.981 177.395 175.328 0.144 0.000 1.090 136 H CA 1.413 57.513 56.048 0.087 0.000 1.327 136 H CB -1.127 28.684 29.762 0.081 0.000 1.383 136 H HN 0.028 nan 8.280 nan 0.000 0.508 137 A N 1.035 123.999 122.820 0.239 0.000 1.877 137 A HA -0.104 4.216 4.320 0.000 0.000 0.216 137 A C 2.633 180.312 177.584 0.159 0.000 1.186 137 A CA 1.407 53.560 52.037 0.192 0.000 0.620 137 A CB -0.843 18.044 19.000 -0.190 0.000 0.822 137 A HN 0.330 nan 8.150 nan 0.000 0.443 138 I N 0.248 120.861 120.570 0.072 0.000 2.335 138 I HA -0.295 3.875 4.170 0.000 0.000 0.251 138 I C 2.510 178.696 176.117 0.115 0.000 1.129 138 I CA 1.961 63.300 61.300 0.065 0.000 1.402 138 I CB -0.449 37.569 38.000 0.029 0.000 1.069 138 I HN 0.659 nan 8.210 nan 0.000 0.424 139 E N 1.380 121.674 120.200 0.158 0.000 2.158 139 E HA -0.239 4.111 4.350 0.000 0.000 0.191 139 E C 2.089 178.817 176.600 0.213 0.000 0.982 139 E CA 1.086 57.585 56.400 0.165 0.000 0.823 139 E CB -0.670 29.129 29.700 0.165 0.000 0.766 139 E HN 0.424 nan 8.360 nan 0.000 0.468 140 F N 1.635 121.665 119.950 0.133 0.000 2.060 140 F HA 0.059 4.586 4.527 0.000 0.000 0.295 140 F C 1.887 177.778 175.800 0.152 0.000 1.120 140 F CA 1.384 59.480 58.000 0.159 0.000 1.205 140 F CB -0.538 38.575 39.000 0.190 0.000 0.986 140 F HN 0.026 nan 8.300 nan 0.000 0.470 141 I N 0.915 121.335 120.570 -0.250 0.000 2.399 141 I HA -0.366 3.804 4.170 0.000 0.000 0.254 141 I C 1.887 177.928 176.117 -0.126 0.000 1.146 141 I CA 1.269 62.407 61.300 -0.269 0.000 1.412 141 I CB -0.711 37.298 38.000 0.016 0.000 1.076 141 I HN 0.242 nan 8.210 nan 0.000 0.432 142 N N 0.371 119.056 118.700 -0.025 0.000 2.216 142 N HA -0.188 4.553 4.740 0.000 0.000 0.183 142 N C 1.826 177.275 175.510 -0.101 0.000 1.017 142 N CA 0.966 54.035 53.050 0.031 0.000 0.861 142 N CB -0.226 38.346 38.487 0.141 0.000 0.986 142 N HN 0.496 nan 8.380 nan 0.000 0.428 143 Q N -0.450 119.297 119.800 -0.088 0.000 2.083 143 Q HA -0.134 4.206 4.340 0.000 0.000 0.198 143 Q C 1.932 177.726 176.000 -0.343 0.000 0.969 143 Q CA 0.980 56.750 55.803 -0.054 0.000 0.838 143 Q CB -0.090 28.765 28.738 0.196 0.000 0.900 143 Q HN 0.447 nan 8.270 nan 0.000 0.436 144 Y N -0.511 119.307 120.300 -0.804 0.000 2.114 144 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 144 Y C 1.371 176.428 175.900 -1.404 0.000 1.143 144 Y CA 1.846 59.090 58.100 -1.426 0.000 1.135 144 Y CB -0.184 37.452 38.460 -1.374 0.000 0.980 144 Y HN 0.166 nan 8.280 nan 0.000 0.499 145 Y N -0.378 119.322 120.300 -1.000 0.000 2.561 145 Y HA 0.076 4.626 4.550 0.000 0.000 0.291 145 Y C 2.370 177.703 175.900 -0.944 0.000 1.141 145 Y CA 0.951 58.383 58.100 -1.114 0.000 1.303 145 Y CB -0.366 37.552 38.460 -0.902 0.000 1.015 145 Y HN 0.234 nan 8.280 nan 0.000 0.547 146 G N -1.485 106.968 108.800 -0.580 0.000 2.939 146 G HA2 -0.087 3.874 3.960 0.000 0.000 0.210 146 G HA3 -0.087 3.874 3.960 0.000 0.000 0.210 146 G C 1.622 176.323 174.900 -0.332 0.000 1.160 146 G CA 0.689 45.611 45.100 -0.297 0.000 0.770 146 G HN 0.421 nan 8.290 nan 0.000 0.543 147 S N 1.187 116.532 115.700 -0.592 0.000 2.348 147 S HA 0.098 4.568 4.470 0.000 0.000 0.219 147 S C 0.985 175.430 174.600 -0.257 0.000 1.033 147 S CA 0.015 57.998 58.200 -0.362 0.000 0.974 147 S CB -0.618 62.382 63.200 -0.333 0.000 0.868 147 S HN 0.323 nan 8.310 nan 0.000 0.459 148 F N 2.709 122.530 119.950 -0.215 0.000 2.495 148 F HA 0.587 5.114 4.527 0.000 0.000 0.365 148 F C 0.546 176.292 175.800 -0.090 0.000 1.090 148 F CA -2.173 55.737 58.000 -0.150 0.000 1.235 148 F CB 0.059 38.932 39.000 -0.212 0.000 1.119 148 F HN -0.051 nan 8.300 nan 0.000 0.562 149 K N 3.539 124.049 120.400 0.184 0.000 2.494 149 K HA -0.075 4.245 4.320 0.000 0.000 0.273 149 K C 0.400 177.074 176.600 0.123 0.000 0.970 149 K CA 0.693 57.049 56.287 0.115 0.000 0.963 149 K CB 0.136 32.675 32.500 0.065 0.000 0.913 149 K HN 1.015 nan 8.250 nan 0.000 0.502 150 E N -0.205 120.048 120.200 0.088 0.000 2.393 150 E HA -0.225 4.125 4.350 0.000 0.000 0.169 150 E C -0.916 175.749 176.600 0.109 0.000 1.591 150 E CA 0.635 57.075 56.400 0.067 0.000 0.661 150 E CB -1.935 27.778 29.700 0.021 0.000 1.097 150 E HN 0.606 nan 8.360 nan 0.000 0.356 151 A N 3.025 125.947 122.820 0.170 0.000 2.531 151 A HA 0.073 4.393 4.320 0.000 0.000 0.236 151 A C 0.552 178.253 177.584 0.194 0.000 1.062 151 A CA 0.370 52.571 52.037 0.273 0.000 0.760 151 A CB 0.389 19.536 19.000 0.245 0.000 0.995 151 A HN 0.444 nan 8.150 nan 0.000 0.501 152 K N 3.430 123.983 120.400 0.256 0.000 2.333 152 K HA 0.228 4.548 4.320 0.000 0.000 0.241 152 K C 0.580 177.264 176.600 0.141 0.000 1.193 152 K CA -0.081 56.292 56.287 0.143 0.000 1.142 152 K CB -0.069 32.495 32.500 0.106 0.000 1.731 152 K HN 0.708 nan 8.250 nan 0.000 0.344 153 I N 0.217 120.852 120.570 0.107 0.000 2.236 153 I HA -0.383 3.787 4.170 0.000 0.000 0.249 153 I C 2.377 178.486 176.117 -0.014 0.000 1.102 153 I CA 1.524 62.855 61.300 0.053 0.000 1.365 153 I CB -0.279 37.727 38.000 0.011 0.000 1.051 153 I HN 0.572 nan 8.210 nan 0.000 0.420 154 E N 1.271 121.465 120.200 -0.008 0.000 2.072 154 E HA -0.212 4.138 4.350 0.000 0.000 0.191 154 E C 2.069 178.642 176.600 -0.046 0.000 0.985 154 E CA 1.179 57.563 56.400 -0.027 0.000 0.801 154 E CB 0.090 29.784 29.700 -0.010 0.000 0.750 154 E HN 0.537 nan 8.360 nan 0.000 0.452 155 E N -0.754 119.425 120.200 -0.035 0.000 2.152 155 E HA -0.187 4.163 4.350 0.000 0.000 0.192 155 E C 1.910 178.276 176.600 -0.391 0.000 0.983 155 E CA 0.704 57.068 56.400 -0.060 0.000 0.818 155 E CB -0.222 29.562 29.700 0.139 0.000 0.758 155 E HN 0.482 nan 8.360 nan 0.000 0.467 156 H N 1.419 120.067 119.070 -0.704 0.000 2.253 156 H HA -0.106 4.450 4.556 0.000 0.000 0.296 156 H C 2.296 177.325 175.328 -0.498 0.000 1.067 156 H CA 1.478 56.920 56.048 -1.009 0.000 1.245 156 H CB 0.027 29.496 29.762 -0.488 0.000 1.364 156 H HN 0.016 nan 8.280 nan 0.000 0.494 157 L N 0.267 121.397 121.223 -0.154 0.000 2.079 157 L HA -0.200 4.140 4.340 0.000 0.000 0.210 157 L C 3.019 179.838 176.870 -0.085 0.000 1.081 157 L CA 0.878 55.636 54.840 -0.137 0.000 0.752 157 L CB -0.704 41.273 42.059 -0.137 0.000 0.896 157 L HN 0.434 nan 8.230 nan 0.000 0.433 158 A N 0.465 123.235 122.820 -0.084 0.000 1.865 158 A HA -0.271 4.049 4.320 0.000 0.000 0.217 158 A C 2.403 179.975 177.584 -0.020 0.000 1.191 158 A CA 2.077 54.089 52.037 -0.042 0.000 0.623 158 A CB -0.534 18.450 19.000 -0.027 0.000 0.826 158 A HN 0.295 nan 8.150 nan 0.000 0.444 159 R N -0.011 120.469 120.500 -0.033 0.000 2.073 159 R HA -0.032 4.308 4.340 0.000 0.000 0.234 159 R C 1.966 178.289 176.300 0.038 0.000 1.134 159 R CA 1.703 57.832 56.100 0.049 0.000 0.952 159 R CB -0.968 29.430 30.300 0.163 0.000 0.850 159 R HN 0.533 nan 8.270 nan 0.000 0.433 160 L N 0.195 121.426 121.223 0.014 0.000 1.990 160 L HA -0.230 4.110 4.340 0.000 0.000 0.213 160 L C 2.590 179.451 176.870 -0.015 0.000 1.072 160 L CA 2.217 57.064 54.840 0.011 0.000 0.755 160 L CB -0.637 41.428 42.059 0.009 0.000 0.889 160 L HN 0.414 nan 8.230 nan 0.000 0.432 161 E N 0.071 120.259 120.200 -0.020 0.000 2.038 161 E HA -0.266 4.084 4.350 0.000 0.000 0.195 161 E C 2.187 178.781 176.600 -0.010 0.000 1.000 161 E CA 1.357 57.745 56.400 -0.020 0.000 0.803 161 E CB -0.068 29.619 29.700 -0.022 0.000 0.750 161 E HN 0.448 nan 8.360 nan 0.000 0.448 162 A N 0.456 123.279 122.820 0.006 0.000 1.883 162 A HA -0.157 4.163 4.320 0.000 0.000 0.217 162 A C 2.437 180.035 177.584 0.022 0.000 1.186 162 A CA 1.666 53.716 52.037 0.023 0.000 0.624 162 A CB -0.761 18.265 19.000 0.043 0.000 0.822 162 A HN 0.246 nan 8.150 nan 0.000 0.444 163 V N -0.107 119.813 119.914 0.010 0.000 2.343 163 V HA -0.230 3.891 4.120 0.000 0.000 0.247 163 V C 2.736 178.763 176.094 -0.111 0.000 1.051 163 V CA 2.434 64.707 62.300 -0.046 0.000 1.036 163 V CB -1.392 30.360 31.823 -0.117 0.000 0.654 163 V HN 0.627 nan 8.190 nan 0.000 0.451 164 T N -0.279 114.223 114.554 -0.086 0.000 2.684 164 T HA -0.258 4.092 4.350 0.000 0.000 0.267 164 T C 1.952 176.625 174.700 -0.046 0.000 1.036 164 T CA 1.765 63.818 62.100 -0.078 0.000 1.148 164 T CB -0.242 68.594 68.868 -0.053 0.000 0.863 164 T HN 0.443 nan 8.240 nan 0.000 0.436 165 K N 0.729 121.116 120.400 -0.022 0.000 2.057 165 K HA -0.080 4.240 4.320 0.000 0.000 0.207 165 K C 2.462 179.068 176.600 0.009 0.000 1.049 165 K CA 1.218 57.502 56.287 -0.005 0.000 0.931 165 K CB -0.097 32.405 32.500 0.004 0.000 0.714 165 K HN 0.422 nan 8.250 nan 0.000 0.440 166 E N 0.921 121.134 120.200 0.023 0.000 2.058 166 E HA -0.202 4.148 4.350 0.000 0.000 0.194 166 E C 1.914 178.548 176.600 0.056 0.000 0.997 166 E CA 1.188 57.622 56.400 0.057 0.000 0.801 166 E CB 0.010 29.775 29.700 0.108 0.000 0.746 166 E HN 0.231 nan 8.360 nan 0.000 0.450 167 I N 0.809 121.393 120.570 0.023 0.000 2.142 167 I HA -0.272 3.898 4.170 0.000 0.000 0.240 167 I C 2.306 178.428 176.117 0.009 0.000 1.078 167 I CA 1.454 62.762 61.300 0.015 0.000 1.343 167 I CB -0.333 37.626 38.000 -0.069 0.000 1.046 167 I HN 0.167 nan 8.210 nan 0.000 0.405 168 E N 0.228 120.424 120.200 -0.007 0.000 2.110 168 E HA -0.211 4.139 4.350 0.000 0.000 0.193 168 E C 2.131 178.733 176.600 0.004 0.000 0.988 168 E CA 2.070 58.466 56.400 -0.006 0.000 0.804 168 E CB -0.090 29.602 29.700 -0.012 0.000 0.745 168 E HN 0.645 nan 8.360 nan 0.000 0.458 169 T N -1.846 112.715 114.554 0.012 0.000 2.852 169 T HA -0.062 4.288 4.350 0.000 0.000 0.256 169 T C 2.157 176.869 174.700 0.020 0.000 1.038 169 T CA 1.366 63.475 62.100 0.015 0.000 1.141 169 T CB -0.390 68.489 68.868 0.018 0.000 0.869 169 T HN 0.147 nan 8.240 nan 0.000 0.439 170 T N -2.003 112.570 114.554 0.030 0.000 3.040 170 T HA 0.552 4.902 4.350 0.000 0.000 0.252 170 T C 1.966 176.685 174.700 0.032 0.000 1.064 170 T CA 0.624 62.744 62.100 0.033 0.000 1.110 170 T CB 0.024 68.919 68.868 0.045 0.000 0.921 170 T HN 0.824 nan 8.240 nan 0.000 0.480 171 G N 0.449 109.271 108.800 0.037 0.000 2.349 171 G HA2 -0.208 3.752 3.960 0.000 0.000 0.213 171 G HA3 -0.208 3.752 3.960 0.000 0.000 0.213 171 G C 0.331 175.269 174.900 0.064 0.000 1.044 171 G CA 0.343 45.464 45.100 0.034 0.000 0.633 171 G HN 0.829 nan 8.290 nan 0.000 0.506 172 T N -0.666 113.942 114.554 0.090 0.000 2.735 172 T HA 0.751 5.102 4.350 0.000 0.000 0.262 172 T C -1.255 173.608 174.700 0.271 0.000 0.955 172 T CA 0.527 62.717 62.100 0.150 0.000 1.022 172 T CB 1.386 70.292 68.868 0.063 0.000 1.455 172 T HN 1.678 nan 8.240 nan 0.000 0.583 173 Y N -0.368 119.940 120.300 0.014 0.000 2.522 173 Y HA 0.587 5.137 4.550 0.000 0.000 0.326 173 Y C -1.367 174.557 175.900 0.040 0.000 1.198 173 Y CA -1.293 56.827 58.100 0.033 0.000 1.112 173 Y CB 0.423 38.912 38.460 0.049 0.000 1.342 173 Y HN 0.401 nan 8.280 nan 0.000 0.460 174 Q N 3.302 123.067 119.800 -0.057 0.000 2.221 174 Q HA 0.491 4.831 4.340 0.000 0.000 0.242 174 Q C -0.856 175.073 176.000 -0.118 0.000 0.940 174 Q CA -0.830 54.896 55.803 -0.129 0.000 0.896 174 Q CB 2.059 30.788 28.738 -0.014 0.000 1.226 174 Q HN 0.685 nan 8.270 nan 0.000 0.463 175 L N 0.922 122.091 121.223 -0.090 0.000 2.375 175 L HA 0.411 4.751 4.340 0.000 0.000 0.268 175 L C 0.807 177.681 176.870 0.008 0.000 1.058 175 L CA -0.355 54.479 54.840 -0.009 0.000 0.803 175 L CB 0.791 42.866 42.059 0.026 0.000 1.212 175 L HN 0.741 nan 8.230 nan 0.000 0.451 176 T N -1.279 113.268 114.554 -0.012 0.000 2.910 176 T HA 0.242 4.592 4.350 0.000 0.000 0.293 176 T C 1.255 175.946 174.700 -0.015 0.000 1.015 176 T CA -0.618 61.474 62.100 -0.013 0.000 1.094 176 T CB 0.915 69.767 68.868 -0.027 0.000 0.968 176 T HN 0.413 nan 8.240 nan 0.000 0.521 177 L N 1.476 122.701 121.223 0.003 0.000 2.051 177 L HA -0.107 4.233 4.340 0.000 0.000 0.214 177 L C 1.933 178.820 176.870 0.029 0.000 1.076 177 L CA 2.062 56.904 54.840 0.004 0.000 0.758 177 L CB -1.177 40.886 42.059 0.007 0.000 0.890 177 L HN 0.853 nan 8.230 nan 0.000 0.433 178 D N -0.635 119.799 120.400 0.056 0.000 2.117 178 D HA -0.185 4.455 4.640 0.000 0.000 0.197 178 D C 2.127 178.551 176.300 0.208 0.000 0.987 178 D CA 1.503 55.593 54.000 0.149 0.000 0.829 178 D CB 0.027 40.958 40.800 0.220 0.000 0.961 178 D HN 0.538 nan 8.370 nan 0.000 0.460 179 E N -0.370 119.795 120.200 -0.059 0.000 2.077 179 E HA -0.166 4.184 4.350 0.000 0.000 0.193 179 E C 1.972 178.717 176.600 0.241 0.000 0.989 179 E CA 0.395 56.707 56.400 -0.148 0.000 0.800 179 E CB -0.082 29.403 29.700 -0.357 0.000 0.746 179 E HN 0.157 nan 8.360 nan 0.000 0.452 180 L N 1.311 122.590 121.223 0.092 0.000 2.017 180 L HA -0.174 4.166 4.340 0.000 0.000 0.208 180 L C 2.054 178.939 176.870 0.025 0.000 1.073 180 L CA 1.564 56.405 54.840 0.002 0.000 0.745 180 L CB -0.366 41.639 42.059 -0.090 0.000 0.894 180 L HN 0.140 nan 8.230 nan 0.000 0.432 181 I N -1.280 119.333 120.570 0.071 0.000 2.163 181 I HA -0.361 3.809 4.170 0.000 0.000 0.243 181 I C 2.419 178.636 176.117 0.166 0.000 1.085 181 I CA 1.917 63.262 61.300 0.074 0.000 1.347 181 I CB -0.484 37.568 38.000 0.086 0.000 1.044 181 I HN 0.324 nan 8.210 nan 0.000 0.408 182 F N 1.658 121.701 119.950 0.155 0.000 2.171 182 F HA -0.206 4.321 4.527 0.000 0.000 0.300 182 F C 2.435 178.356 175.800 0.201 0.000 1.090 182 F CA 1.344 59.480 58.000 0.226 0.000 1.293 182 F CB -0.180 39.046 39.000 0.378 0.000 1.013 182 F HN -0.002 nan 8.300 nan 0.000 0.486 183 A N 0.209 123.156 122.820 0.212 0.000 1.877 183 A HA -0.209 4.111 4.320 0.000 0.000 0.216 183 A C 2.289 179.759 177.584 -0.191 0.000 1.186 183 A CA 2.552 54.564 52.037 -0.041 0.000 0.620 183 A CB -1.631 17.300 19.000 -0.115 0.000 0.822 183 A HN 0.531 nan 8.150 nan 0.000 0.443 184 T N -1.406 113.076 114.554 -0.121 0.000 2.708 184 T HA -0.168 4.182 4.350 0.000 0.000 0.266 184 T C 1.831 176.560 174.700 0.049 0.000 1.037 184 T CA 1.654 63.714 62.100 -0.067 0.000 1.146 184 T CB -0.376 68.465 68.868 -0.045 0.000 0.865 184 T HN 0.523 nan 8.240 nan 0.000 0.435 185 K N 0.227 120.668 120.400 0.068 0.000 2.097 185 K HA 0.053 4.373 4.320 0.000 0.000 0.206 185 K C 2.569 179.266 176.600 0.162 0.000 1.049 185 K CA 1.265 57.687 56.287 0.224 0.000 0.933 185 K CB -0.243 32.371 32.500 0.190 0.000 0.717 185 K HN 0.253 nan 8.250 nan 0.000 0.442 186 M N 0.446 119.950 119.600 -0.161 0.000 2.077 186 M HA -0.088 4.392 4.480 0.000 0.000 0.261 186 M C 2.505 178.653 176.300 -0.254 0.000 1.070 186 M CA 1.521 56.623 55.300 -0.330 0.000 1.125 186 M CB -1.082 31.204 32.600 -0.523 0.000 1.339 186 M HN 0.171 nan 8.290 nan 0.000 0.409 187 A N -0.437 122.197 122.820 -0.310 0.000 1.917 187 A HA -0.240 4.080 4.320 0.000 0.000 0.219 187 A C 2.001 179.449 177.584 -0.227 0.000 1.182 187 A CA 1.841 53.567 52.037 -0.519 0.000 0.633 187 A CB -1.248 17.036 19.000 -1.193 0.000 0.819 187 A HN 0.711 nan 8.150 nan 0.000 0.448 188 W N 0.813 122.051 121.300 -0.103 0.000 2.379 188 W HA -0.127 4.533 4.660 0.000 0.000 0.307 188 W C 2.339 178.767 176.519 -0.151 0.000 1.200 188 W CA 1.525 58.853 57.345 -0.029 0.000 1.297 188 W CB -0.819 28.612 29.460 -0.048 0.000 1.140 188 W HN 0.376 nan 8.180 nan 0.000 0.507 189 R N 0.405 120.828 120.500 -0.128 0.000 2.117 189 R HA -0.204 4.136 4.340 0.000 0.000 0.243 189 R C 1.178 177.302 176.300 -0.293 0.000 1.143 189 R CA 1.915 57.752 56.100 -0.438 0.000 0.968 189 R CB -0.623 29.218 30.300 -0.764 0.000 0.863 189 R HN 0.084 nan 8.270 nan 0.000 0.444 190 N N 0.102 118.676 118.700 -0.210 0.000 2.362 190 N HA 0.063 4.803 4.740 0.000 0.000 0.204 190 N C -0.850 174.593 175.510 -0.112 0.000 1.166 190 N CA 0.468 53.441 53.050 -0.128 0.000 0.831 190 N CB 1.080 39.541 38.487 -0.043 0.000 1.008 190 N HN 0.178 nan 8.380 nan 0.000 0.472 191 A N 2.020 124.744 122.820 -0.160 0.000 2.527 191 A HA 0.279 4.599 4.320 0.000 0.000 0.313 191 A C -1.082 176.405 177.584 -0.162 0.000 1.410 191 A CA -1.194 50.696 52.037 -0.244 0.000 1.060 191 A CB 0.530 19.435 19.000 -0.159 0.000 1.137 191 A HN -0.014 nan 8.150 nan 0.000 0.542 192 P HA -0.161 nan 4.420 nan 0.000 0.223 192 P C 0.859 178.075 177.300 -0.140 0.000 1.144 192 P CA 1.045 64.073 63.100 -0.120 0.000 0.783 192 P CB 0.237 31.877 31.700 -0.101 0.000 0.771 193 R N -1.608 118.771 120.500 -0.202 0.000 2.290 193 R HA 0.130 4.470 4.340 0.000 0.000 0.197 193 R C 0.977 177.244 176.300 -0.055 0.000 0.913 193 R CA -0.140 55.871 56.100 -0.148 0.000 1.040 193 R CB -0.354 29.684 30.300 -0.435 0.000 0.992 193 R HN 0.172 nan 8.270 nan 0.000 0.500 194 C N 0.901 120.137 119.300 -0.107 0.000 2.527 194 C HA 0.262 4.722 4.460 0.000 0.000 0.396 194 C C 1.769 176.648 174.990 -0.186 0.000 1.289 194 C CA -0.458 58.520 59.018 -0.067 0.000 2.047 194 C CB -0.161 27.610 27.740 0.051 0.000 2.568 194 C HN 0.523 nan 8.230 nan 0.000 0.573 195 I N 3.504 123.971 120.570 -0.172 0.000 4.070 195 I HA 0.254 4.424 4.170 0.000 0.000 0.328 195 I C 1.734 177.822 176.117 -0.048 0.000 1.298 195 I CA 0.606 61.735 61.300 -0.286 0.000 1.173 195 I CB 0.091 37.947 38.000 -0.241 0.000 1.051 195 I HN 0.874 nan 8.210 nan 0.000 0.409 196 G N 0.696 109.496 108.800 -0.000 0.000 3.448 196 G HA2 0.078 4.038 3.960 0.000 0.000 0.261 196 G HA3 0.078 4.038 3.960 0.000 0.000 0.261 196 G C 1.084 175.957 174.900 -0.044 0.000 1.173 196 G CA -0.375 44.737 45.100 0.019 0.000 0.835 196 G HN 0.214 nan 8.290 nan 0.000 0.534 197 R N 0.007 120.396 120.500 -0.184 0.000 2.293 197 R HA 0.022 4.362 4.340 0.000 0.000 0.219 197 R C 1.902 177.681 176.300 -0.868 0.000 1.091 197 R CA 0.300 55.998 56.100 -0.671 0.000 1.004 197 R CB -0.262 29.675 30.300 -0.605 0.000 0.865 197 R HN 0.490 nan 8.270 nan 0.000 0.469 198 I N 1.146 121.405 120.570 -0.519 0.000 2.756 198 I HA -0.209 3.961 4.170 0.000 0.000 0.262 198 I C 1.452 177.481 176.117 -0.146 0.000 1.225 198 I CA 1.159 62.354 61.300 -0.175 0.000 1.472 198 I CB 0.157 38.186 38.000 0.049 0.000 1.094 198 I HN 0.132 nan 8.210 nan 0.000 0.454 199 Q N 0.505 120.118 119.800 -0.312 0.000 2.360 199 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 199 Q C 1.637 177.179 176.000 -0.764 0.000 0.915 199 Q CA 0.371 55.981 55.803 -0.321 0.000 0.943 199 Q CB -0.187 28.521 28.738 -0.050 0.000 1.064 199 Q HN 0.785 nan 8.270 nan 0.000 0.511 200 W N 1.425 121.901 121.300 -1.374 0.000 2.285 200 W HA -0.285 4.375 4.660 0.000 0.000 0.290 200 W C 1.297 177.521 176.519 -0.492 0.000 1.217 200 W CA 1.633 58.080 57.345 -1.497 0.000 1.207 200 W CB -1.329 27.482 29.460 -1.082 0.000 1.136 200 W HN 0.165 nan 8.180 nan 0.000 0.546 201 S N 0.655 115.601 115.700 -1.257 0.000 2.425 201 S HA -0.059 4.412 4.470 0.000 0.000 0.225 201 S C 0.602 174.978 174.600 -0.373 0.000 1.024 201 S CA 0.444 58.052 58.200 -0.986 0.000 0.951 201 S CB -1.078 61.460 63.200 -1.104 0.000 0.796 201 S HN 0.388 nan 8.310 nan 0.000 0.498 202 N N 1.785 120.354 118.700 -0.219 0.000 2.555 202 N HA 0.511 5.251 4.740 0.000 0.000 0.244 202 N C -1.398 174.183 175.510 0.117 0.000 1.114 202 N CA -0.301 52.733 53.050 -0.027 0.000 0.963 202 N CB 0.808 39.311 38.487 0.025 0.000 1.276 202 N HN 0.260 nan 8.380 nan 0.000 0.510 203 L N 1.739 122.999 121.223 0.062 0.000 2.516 203 L HA 0.287 4.627 4.340 0.000 0.000 0.267 203 L C -0.960 175.847 176.870 -0.105 0.000 0.957 203 L CA -0.764 54.099 54.840 0.040 0.000 0.860 203 L CB 1.846 43.987 42.059 0.136 0.000 1.265 203 L HN 0.267 nan 8.230 nan 0.000 0.403 204 Q N 2.985 122.664 119.800 -0.201 0.000 2.314 204 Q HA 0.573 4.913 4.340 0.000 0.000 0.258 204 Q C -1.546 174.055 176.000 -0.665 0.000 0.954 204 Q CA 0.018 55.544 55.803 -0.463 0.000 0.890 204 Q CB 1.353 29.680 28.738 -0.684 0.000 1.210 204 Q HN 0.534 nan 8.270 nan 0.000 0.410 205 V N 5.582 125.114 119.914 -0.636 0.000 2.409 205 V HA 0.432 4.552 4.120 0.000 0.000 0.291 205 V C -0.973 174.777 176.094 -0.574 0.000 1.020 205 V CA -0.661 61.315 62.300 -0.540 0.000 0.848 205 V CB 0.861 32.521 31.823 -0.271 0.000 0.990 205 V HN 0.634 nan 8.190 nan 0.000 0.430 206 F N 2.541 122.324 119.950 -0.277 0.000 2.332 206 F HA 0.387 4.914 4.527 0.000 0.000 0.368 206 F C 0.466 176.094 175.800 -0.287 0.000 1.110 206 F CA -1.508 56.331 58.000 -0.269 0.000 1.087 206 F CB 0.977 39.812 39.000 -0.276 0.000 1.235 206 F HN 0.451 nan 8.300 nan 0.000 0.470 207 D N 3.163 123.536 120.400 -0.045 0.000 2.359 207 D HA 0.358 4.998 4.640 0.000 0.000 0.250 207 D C 0.308 176.497 176.300 -0.185 0.000 1.264 207 D CA 0.225 54.149 54.000 -0.127 0.000 0.911 207 D CB 0.974 41.731 40.800 -0.072 0.000 1.056 207 D HN 0.600 nan 8.370 nan 0.000 0.499 208 A N 4.613 127.217 122.820 -0.361 0.000 2.594 208 A HA 0.148 4.468 4.320 0.000 0.000 0.287 208 A C 1.704 179.130 177.584 -0.263 0.000 1.227 208 A CA -0.391 51.323 52.037 -0.539 0.000 0.952 208 A CB 0.070 18.363 19.000 -1.179 0.000 1.161 208 A HN 0.536 nan 8.150 nan 0.000 0.524 209 R N 0.586 120.990 120.500 -0.159 0.000 2.241 209 R HA -0.167 4.173 4.340 0.000 0.000 0.224 209 R C 1.211 177.470 176.300 -0.069 0.000 1.101 209 R CA 1.646 57.695 56.100 -0.085 0.000 0.995 209 R CB -0.184 30.108 30.300 -0.014 0.000 0.870 209 R HN 0.818 nan 8.270 nan 0.000 0.463 210 N N -0.628 118.053 118.700 -0.032 0.000 2.422 210 N HA -0.050 4.690 4.740 0.000 0.000 0.181 210 N C 0.638 176.188 175.510 0.067 0.000 1.080 210 N CA -0.085 52.980 53.050 0.025 0.000 0.893 210 N CB -0.142 38.375 38.487 0.050 0.000 0.973 210 N HN 0.028 nan 8.380 nan 0.000 0.456 211 C N 0.610 119.949 119.300 0.065 0.000 2.746 211 C HA 0.298 4.758 4.460 0.000 0.000 0.403 211 C C 1.621 176.744 174.990 0.222 0.000 1.270 211 C CA 0.729 59.859 59.018 0.187 0.000 1.978 211 C CB -0.003 27.892 27.740 0.259 0.000 2.724 211 C HN 0.704 nan 8.230 nan 0.000 0.678 212 S N 0.319 116.220 115.700 0.334 0.000 2.648 212 S HA 0.197 4.667 4.470 0.000 0.000 0.270 212 S C 0.030 174.774 174.600 0.241 0.000 1.034 212 S CA 0.447 58.879 58.200 0.387 0.000 1.376 212 S CB -0.315 63.018 63.200 0.222 0.000 1.227 212 S HN 1.258 nan 8.310 nan 0.000 0.676 213 T N -1.560 113.113 114.554 0.198 0.000 2.901 213 T HA 0.844 5.194 4.350 0.000 0.000 0.293 213 T C 1.226 175.968 174.700 0.069 0.000 1.084 213 T CA -0.074 62.077 62.100 0.085 0.000 1.008 213 T CB 1.380 70.296 68.868 0.081 0.000 1.170 213 T HN 0.370 nan 8.240 nan 0.000 0.509 214 A N 0.681 123.524 122.820 0.038 0.000 1.877 214 A HA -0.042 4.278 4.320 0.000 0.000 0.216 214 A C 2.285 179.861 177.584 -0.013 0.000 1.186 214 A CA 2.147 54.210 52.037 0.043 0.000 0.620 214 A CB -1.359 17.767 19.000 0.211 0.000 0.822 214 A HN 0.911 nan 8.150 nan 0.000 0.443 215 Q N 0.285 120.184 119.800 0.164 0.000 2.181 215 Q HA -0.200 4.140 4.340 0.000 0.000 0.205 215 Q C 1.727 177.775 176.000 0.080 0.000 0.980 215 Q CA 2.325 58.218 55.803 0.150 0.000 0.862 215 Q CB -0.405 28.466 28.738 0.222 0.000 0.905 215 Q HN 0.766 nan 8.270 nan 0.000 0.429 216 E N -0.761 119.497 120.200 0.097 0.000 2.152 216 E HA -0.126 4.224 4.350 0.000 0.000 0.192 216 E C 1.997 178.719 176.600 0.203 0.000 0.983 216 E CA 1.145 57.623 56.400 0.130 0.000 0.818 216 E CB -0.097 29.715 29.700 0.188 0.000 0.758 216 E HN 0.488 nan 8.360 nan 0.000 0.467 217 M N 0.049 119.725 119.600 0.127 0.000 2.077 217 M HA -0.128 4.352 4.480 0.000 0.000 0.261 217 M C 2.248 178.605 176.300 0.094 0.000 1.070 217 M CA 1.250 56.610 55.300 0.100 0.000 1.125 217 M CB -0.417 32.026 32.600 -0.261 0.000 1.339 217 M HN 0.105 nan 8.290 nan 0.000 0.409 218 F N 1.598 121.350 119.950 -0.330 0.000 2.147 218 F HA -0.318 4.209 4.527 0.000 0.000 0.301 218 F C 2.275 177.980 175.800 -0.157 0.000 1.084 218 F CA 1.976 59.729 58.000 -0.411 0.000 1.268 218 F CB -0.356 38.099 39.000 -0.907 0.000 1.009 218 F HN 0.191 nan 8.300 nan 0.000 0.486 219 Q N -1.223 118.493 119.800 -0.141 0.000 2.083 219 Q HA -0.189 4.151 4.340 0.000 0.000 0.198 219 Q C 2.220 178.090 176.000 -0.216 0.000 0.969 219 Q CA 1.501 57.167 55.803 -0.227 0.000 0.838 219 Q CB -0.396 28.247 28.738 -0.158 0.000 0.900 219 Q HN 0.515 nan 8.270 nan 0.000 0.436 220 H N 0.057 119.110 119.070 -0.029 0.000 2.389 220 H HA -0.057 4.499 4.556 0.000 0.000 0.299 220 H C 2.051 177.358 175.328 -0.034 0.000 1.081 220 H CA 1.157 57.192 56.048 -0.021 0.000 1.345 220 H CB 0.096 29.941 29.762 0.138 0.000 1.393 220 H HN 0.262 nan 8.280 nan 0.000 0.520 221 I N -0.320 120.321 120.570 0.118 0.000 2.286 221 I HA -0.252 3.919 4.170 0.000 0.000 0.245 221 I C 2.599 178.655 176.117 -0.103 0.000 1.104 221 I CA 0.580 61.892 61.300 0.021 0.000 1.397 221 I CB -0.171 37.818 38.000 -0.017 0.000 1.072 221 I HN 0.196 nan 8.210 nan 0.000 0.417 222 C N 0.420 119.555 119.300 -0.275 0.000 2.429 222 C HA -0.151 4.309 4.460 0.000 0.000 0.277 222 C C 2.977 177.878 174.990 -0.148 0.000 1.262 222 C CA 0.940 59.784 59.018 -0.291 0.000 1.733 222 C CB -1.144 26.316 27.740 -0.468 0.000 2.010 222 C HN 0.480 nan 8.230 nan 0.000 0.483 223 R N -0.011 120.391 120.500 -0.164 0.000 2.096 223 R HA -0.183 4.157 4.340 0.000 0.000 0.235 223 R C 2.400 178.638 176.300 -0.105 0.000 1.127 223 R CA 1.681 57.669 56.100 -0.186 0.000 0.968 223 R CB -0.676 29.428 30.300 -0.326 0.000 0.861 223 R HN 0.653 nan 8.270 nan 0.000 0.440 224 H N 1.056 120.045 119.070 -0.136 0.000 2.293 224 H HA -0.097 4.459 4.556 0.000 0.000 0.300 224 H C 2.029 177.445 175.328 0.148 0.000 1.082 224 H CA 2.245 58.356 56.048 0.105 0.000 1.308 224 H CB -0.281 29.552 29.762 0.119 0.000 1.375 224 H HN 0.251 nan 8.280 nan 0.000 0.495 225 I N 0.198 120.924 120.570 0.260 0.000 2.163 225 I HA -0.286 3.884 4.170 0.000 0.000 0.243 225 I C 2.698 178.894 176.117 0.132 0.000 1.085 225 I CA 0.976 62.365 61.300 0.150 0.000 1.347 225 I CB -0.306 37.698 38.000 0.006 0.000 1.044 225 I HN 0.186 nan 8.210 nan 0.000 0.408 226 L N 0.114 121.389 121.223 0.087 0.000 2.017 226 L HA -0.268 4.072 4.340 0.000 0.000 0.208 226 L C 2.470 179.401 176.870 0.101 0.000 1.073 226 L CA 1.923 56.799 54.840 0.060 0.000 0.745 226 L CB -0.957 41.111 42.059 0.016 0.000 0.894 226 L HN 0.269 nan 8.230 nan 0.000 0.432 227 Y N -0.057 120.276 120.300 0.055 0.000 2.133 227 Y HA -0.183 4.367 4.550 0.000 0.000 0.287 227 Y C 2.385 178.349 175.900 0.107 0.000 1.134 227 Y CA 2.019 60.179 58.100 0.100 0.000 1.133 227 Y CB -0.574 38.023 38.460 0.228 0.000 0.987 227 Y HN 0.219 nan 8.280 nan 0.000 0.502 228 A N -0.391 122.597 122.820 0.280 0.000 1.883 228 A HA -0.215 4.105 4.320 0.000 0.000 0.217 228 A C 2.220 179.841 177.584 0.062 0.000 1.186 228 A CA 2.474 54.621 52.037 0.183 0.000 0.624 228 A CB -1.443 17.748 19.000 0.319 0.000 0.822 228 A HN 0.539 nan 8.150 nan 0.000 0.444 229 T N -0.263 114.331 114.554 0.067 0.000 2.708 229 T HA -0.149 4.201 4.350 0.000 0.000 0.266 229 T C 1.123 175.817 174.700 -0.010 0.000 1.037 229 T CA 1.410 63.535 62.100 0.042 0.000 1.146 229 T CB -0.486 68.406 68.868 0.040 0.000 0.865 229 T HN 0.656 nan 8.240 nan 0.000 0.435 230 N N 1.840 120.506 118.700 -0.056 0.000 2.707 230 N HA -0.267 4.474 4.740 0.000 0.000 0.253 230 N C 0.038 175.514 175.510 -0.057 0.000 0.998 230 N CA 0.887 53.881 53.050 -0.093 0.000 0.751 230 N CB -2.148 36.235 38.487 -0.173 0.000 0.920 230 N HN 0.640 nan 8.380 nan 0.000 0.539 231 N N -1.536 117.143 118.700 -0.035 0.000 2.721 231 N HA -0.260 4.480 4.740 0.000 0.000 0.249 231 N C 0.960 176.450 175.510 -0.033 0.000 1.072 231 N CA 1.213 54.244 53.050 -0.031 0.000 0.710 231 N CB -1.186 37.281 38.487 -0.033 0.000 0.993 231 N HN 1.037 nan 8.380 nan 0.000 0.547 232 G N 0.214 109.000 108.800 -0.023 0.000 2.308 232 G HA2 -0.330 3.630 3.960 0.000 0.000 0.221 232 G HA3 -0.330 3.630 3.960 0.000 0.000 0.221 232 G C -0.022 174.868 174.900 -0.016 0.000 1.032 232 G CA 0.280 45.368 45.100 -0.020 0.000 0.623 232 G HN 0.598 nan 8.290 nan 0.000 0.506 233 N N 1.969 120.646 118.700 -0.040 0.000 2.671 233 N HA 0.336 5.076 4.740 0.000 0.000 0.274 233 N C 0.581 176.067 175.510 -0.039 0.000 1.188 233 N CA -0.696 52.318 53.050 -0.061 0.000 1.065 233 N CB -0.157 38.287 38.487 -0.073 0.000 1.415 233 N HN 0.229 nan 8.380 nan 0.000 0.511 234 I N 2.444 123.020 120.570 0.010 0.000 2.752 234 I HA -0.060 4.110 4.170 0.000 0.000 0.289 234 I C 0.802 177.015 176.117 0.160 0.000 1.197 234 I CA 0.870 62.236 61.300 0.109 0.000 1.432 234 I CB 0.017 38.162 38.000 0.242 0.000 1.359 234 I HN 0.427 nan 8.210 nan 0.000 0.571 235 R N 3.832 124.402 120.500 0.117 0.000 2.534 235 R HA 0.378 4.718 4.340 0.000 0.000 0.301 235 R C -0.393 176.016 176.300 0.182 0.000 0.961 235 R CA -0.620 55.560 56.100 0.132 0.000 0.871 235 R CB 1.873 32.108 30.300 -0.109 0.000 1.170 235 R HN 0.550 nan 8.270 nan 0.000 0.446 236 S N 1.605 117.409 115.700 0.173 0.000 2.531 236 S HA 0.486 4.956 4.470 0.000 0.000 0.279 236 S C -0.351 174.235 174.600 -0.024 0.000 1.305 236 S CA -0.233 57.970 58.200 0.005 0.000 1.058 236 S CB 1.204 64.335 63.200 -0.116 0.000 0.899 236 S HN 0.693 nan 8.310 nan 0.000 0.493 237 A N 3.079 125.832 122.820 -0.112 0.000 2.609 237 A HA 0.851 5.171 4.320 0.000 0.000 0.291 237 A C -1.315 176.114 177.584 -0.257 0.000 1.096 237 A CA -0.666 51.173 52.037 -0.331 0.000 0.684 237 A CB 1.229 19.925 19.000 -0.507 0.000 1.282 237 A HN 0.790 nan 8.150 nan 0.000 0.412 238 I N 0.331 120.684 120.570 -0.362 0.000 2.692 238 I HA 0.557 4.727 4.170 0.000 0.000 0.293 238 I C -1.167 174.872 176.117 -0.131 0.000 1.200 238 I CA -0.100 61.166 61.300 -0.057 0.000 1.036 238 I CB 2.377 40.338 38.000 -0.064 0.000 1.258 238 I HN 0.600 nan 8.210 nan 0.000 0.421 239 T N 6.353 120.955 114.554 0.079 0.000 2.758 239 T HA 0.425 4.775 4.350 0.000 0.000 0.285 239 T C -0.600 173.884 174.700 -0.361 0.000 0.981 239 T CA -0.309 61.728 62.100 -0.105 0.000 0.965 239 T CB 1.376 70.216 68.868 -0.046 0.000 0.927 239 T HN 0.260 nan 8.240 nan 0.000 0.448 240 V N 5.442 125.106 119.914 -0.416 0.000 2.350 240 V HA 0.450 4.570 4.120 0.000 0.000 0.276 240 V C -0.271 175.557 176.094 -0.444 0.000 1.028 240 V CA -0.671 61.395 62.300 -0.391 0.000 0.860 240 V CB 0.106 31.678 31.823 -0.418 0.000 0.990 240 V HN 0.769 nan 8.190 nan 0.000 0.453 241 F N 5.093 124.985 119.950 -0.096 0.000 2.380 241 F HA 0.467 4.994 4.527 0.000 0.000 0.319 241 F C -1.799 173.902 175.800 -0.165 0.000 1.113 241 F CA -2.566 55.312 58.000 -0.203 0.000 1.056 241 F CB 0.846 39.753 39.000 -0.155 0.000 1.289 241 F HN 0.308 nan 8.300 nan 0.000 0.515 242 P HA -0.063 nan 4.420 nan 0.000 0.260 242 P C -1.004 176.277 177.300 -0.032 0.000 1.172 242 P CA 0.076 63.031 63.100 -0.241 0.000 0.760 242 P CB 0.188 31.503 31.700 -0.641 0.000 0.773 243 Q N 3.618 123.381 119.800 -0.062 0.000 2.614 243 Q HA 0.033 4.373 4.340 0.000 0.000 0.244 243 Q C 0.152 176.051 176.000 -0.168 0.000 1.097 243 Q CA -0.330 55.212 55.803 -0.435 0.000 0.986 243 Q CB 0.627 28.748 28.738 -1.028 0.000 1.308 243 Q HN 0.341 nan 8.270 nan 0.000 0.546 244 R N 0.671 121.060 120.500 -0.184 0.000 2.438 244 R HA 0.073 4.413 4.340 0.000 0.000 0.287 244 R C 0.162 176.429 176.300 -0.055 0.000 1.077 244 R CA 0.593 56.669 56.100 -0.039 0.000 1.034 244 R CB 0.686 30.968 30.300 -0.030 0.000 0.993 244 R HN 0.922 nan 8.270 nan 0.000 0.459 245 S N 2.695 118.402 115.700 0.011 0.000 2.755 245 S HA -0.052 4.418 4.470 0.000 0.000 0.165 245 S C 1.075 175.659 174.600 -0.026 0.000 0.723 245 S CA 0.469 58.666 58.200 -0.004 0.000 0.867 245 S CB -0.402 62.819 63.200 0.035 0.000 0.740 245 S HN 0.814 nan 8.310 nan 0.000 0.568 246 D N -0.164 120.203 120.400 -0.055 0.000 2.216 246 D HA 0.410 5.050 4.640 0.000 0.000 0.208 246 D C 1.507 177.774 176.300 -0.054 0.000 0.960 246 D CA 1.087 55.036 54.000 -0.084 0.000 0.861 246 D CB -0.335 40.360 40.800 -0.175 0.000 0.985 246 D HN 0.767 nan 8.370 nan 0.000 0.493 247 G N -0.008 108.775 108.800 -0.028 0.000 3.465 247 G HA2 -0.220 3.740 3.960 0.000 0.000 0.196 247 G HA3 -0.220 3.740 3.960 0.000 0.000 0.196 247 G C 0.992 175.918 174.900 0.044 0.000 1.170 247 G CA -0.029 45.075 45.100 0.007 0.000 0.887 247 G HN 0.202 nan 8.290 nan 0.000 0.444 248 K N 0.499 120.918 120.400 0.032 0.000 2.486 248 K HA 0.120 4.440 4.320 0.000 0.000 0.194 248 K C 0.020 176.831 176.600 0.351 0.000 1.033 248 K CA 0.522 56.885 56.287 0.126 0.000 1.004 248 K CB 0.010 32.565 32.500 0.091 0.000 0.798 248 K HN 0.417 nan 8.250 nan 0.000 0.495 249 H N 0.852 119.935 119.070 0.021 0.000 2.360 249 H HA 0.277 4.833 4.556 0.000 0.000 0.233 249 H C -1.129 174.241 175.328 0.071 0.000 1.473 249 H CA -1.057 55.008 56.048 0.027 0.000 1.352 249 H CB -0.044 29.747 29.762 0.049 0.000 1.493 249 H HN -0.045 nan 8.280 nan 0.000 0.533 250 D N 0.806 121.292 120.400 0.144 0.000 2.256 250 D HA 0.224 4.864 4.640 0.000 0.000 0.246 250 D C -0.243 176.112 176.300 0.091 0.000 1.042 250 D CA -0.437 53.660 54.000 0.161 0.000 0.841 250 D CB 1.279 42.156 40.800 0.129 0.000 1.223 250 D HN 0.093 nan 8.370 nan 0.000 0.470 251 F N 2.232 122.220 119.950 0.063 0.000 2.411 251 F HA 0.445 4.972 4.527 0.000 0.000 0.350 251 F C 0.833 176.665 175.800 0.053 0.000 1.114 251 F CA -0.209 57.802 58.000 0.018 0.000 1.135 251 F CB 0.857 39.862 39.000 0.008 0.000 1.120 251 F HN -0.139 nan 8.300 nan 0.000 0.495 252 R N 3.633 124.229 120.500 0.159 0.000 2.566 252 R HA 0.454 4.794 4.340 0.000 0.000 0.271 252 R C -1.821 174.629 176.300 0.250 0.000 1.071 252 R CA -1.071 55.153 56.100 0.207 0.000 0.915 252 R CB 2.151 32.579 30.300 0.214 0.000 1.228 252 R HN 0.479 nan 8.270 nan 0.000 0.449 253 L N 1.682 123.049 121.223 0.239 0.000 2.289 253 L HA 0.368 4.708 4.340 0.000 0.000 0.285 253 L C 0.742 177.860 176.870 0.413 0.000 1.049 253 L CA -0.101 54.891 54.840 0.253 0.000 0.804 253 L CB 0.700 42.843 42.059 0.140 0.000 1.195 253 L HN 0.578 nan 8.230 nan 0.000 0.428 254 W N 0.395 121.784 121.300 0.150 0.000 2.770 254 W HA 0.085 4.745 4.660 0.000 0.000 0.256 254 W C 0.564 177.267 176.519 0.307 0.000 1.291 254 W CA -0.500 57.043 57.345 0.330 0.000 1.396 254 W CB -0.804 28.950 29.460 0.490 0.000 1.114 254 W HN 0.475 nan 8.180 nan 0.000 0.637 255 N N -0.024 118.831 118.700 0.257 0.000 2.482 255 N HA 0.017 4.757 4.740 0.000 0.000 0.260 255 N C 1.397 176.783 175.510 -0.207 0.000 1.236 255 N CA 0.804 53.708 53.050 -0.244 0.000 0.938 255 N CB 0.708 39.105 38.487 -0.150 0.000 1.128 255 N HN -0.124 nan 8.380 nan 0.000 0.448 256 S N 0.554 116.055 115.700 -0.333 0.000 2.383 256 S HA -0.136 4.334 4.470 0.000 0.000 0.227 256 S C 0.332 174.829 174.600 -0.171 0.000 1.026 256 S CA 0.681 58.776 58.200 -0.174 0.000 0.981 256 S CB -0.428 62.687 63.200 -0.142 0.000 0.818 256 S HN 0.781 nan 8.310 nan 0.000 0.472 257 Q N -1.179 118.493 119.800 -0.213 0.000 2.435 257 Q HA 0.511 4.851 4.340 0.000 0.000 0.282 257 Q C -0.231 175.616 176.000 -0.254 0.000 1.020 257 Q CA -1.008 54.657 55.803 -0.229 0.000 0.820 257 Q CB 0.805 29.434 28.738 -0.182 0.000 1.436 257 Q HN -0.030 nan 8.270 nan 0.000 0.395 258 L N 0.797 121.862 121.223 -0.264 0.000 1.987 258 L HA -0.122 4.218 4.340 0.000 0.000 0.230 258 L C 0.797 177.489 176.870 -0.296 0.000 1.089 258 L CA 2.052 56.743 54.840 -0.249 0.000 0.802 258 L CB -0.540 41.360 42.059 -0.266 0.000 0.905 258 L HN 0.714 nan 8.230 nan 0.000 0.441 259 I N -1.445 118.864 120.570 -0.435 0.000 2.359 259 I HA 0.423 4.593 4.170 0.000 0.000 0.294 259 I C 0.079 175.538 176.117 -1.097 0.000 0.987 259 I CA -0.117 60.768 61.300 -0.692 0.000 1.225 259 I CB 1.490 39.026 38.000 -0.772 0.000 1.366 259 I HN 0.111 nan 8.210 nan 0.000 0.466 260 R N 4.223 124.192 120.500 -0.886 0.000 2.663 260 R HA 0.479 4.819 4.340 0.000 0.000 0.267 260 R C -1.923 174.120 176.300 -0.429 0.000 1.038 260 R CA -0.684 55.005 56.100 -0.685 0.000 0.886 260 R CB 1.020 31.135 30.300 -0.308 0.000 1.249 260 R HN 0.301 nan 8.270 nan 0.000 0.463 261 Y N 1.108 121.386 120.300 -0.036 0.000 2.320 261 Y HA 0.625 5.175 4.550 0.000 0.000 0.324 261 Y C 0.738 176.651 175.900 0.021 0.000 1.190 261 Y CA -0.345 57.791 58.100 0.059 0.000 1.215 261 Y CB 1.532 40.142 38.460 0.249 0.000 1.221 261 Y HN 0.730 nan 8.280 nan 0.000 0.486 262 A N 1.146 124.053 122.820 0.146 0.000 2.322 262 A HA 0.681 5.001 4.320 0.000 0.000 0.269 262 A C 0.356 177.723 177.584 -0.362 0.000 1.094 262 A CA 0.132 52.081 52.037 -0.147 0.000 0.807 262 A CB -0.049 18.837 19.000 -0.190 0.000 1.047 262 A HN 0.911 nan 8.150 nan 0.000 0.487 263 G N 0.435 108.956 108.800 -0.465 0.000 2.683 263 G HA2 0.575 4.535 3.960 0.000 0.000 0.299 263 G HA3 0.575 4.535 3.960 0.000 0.000 0.299 263 G C -1.208 173.441 174.900 -0.417 0.000 1.432 263 G CA -0.284 44.572 45.100 -0.407 0.000 0.978 263 G HN 0.546 nan 8.290 nan 0.000 0.513 264 Y N 0.317 120.660 120.300 0.071 0.000 2.409 264 Y HA 0.489 5.039 4.550 0.000 0.000 0.339 264 Y C 0.602 176.558 175.900 0.094 0.000 1.033 264 Y CA -1.084 57.081 58.100 0.107 0.000 1.094 264 Y CB 2.418 40.991 38.460 0.188 0.000 1.210 264 Y HN 0.474 nan 8.280 nan 0.000 0.456 265 Q N 3.973 123.917 119.800 0.240 0.000 2.835 265 Q HA 0.244 4.584 4.340 0.000 0.000 0.235 265 Q C -0.521 175.567 176.000 0.147 0.000 1.313 265 Q CA -0.600 55.291 55.803 0.147 0.000 1.053 265 Q CB 0.168 28.966 28.738 0.100 0.000 1.443 265 Q HN 0.596 nan 8.270 nan 0.000 0.576 266 M N 2.938 122.628 119.600 0.151 0.000 2.214 266 M HA -0.090 4.390 4.480 0.000 0.000 0.306 266 M C -1.300 175.017 176.300 0.029 0.000 0.998 266 M CA -0.702 54.647 55.300 0.082 0.000 1.071 266 M CB -0.426 32.207 32.600 0.055 0.000 1.466 266 M HN 0.403 nan 8.290 nan 0.000 0.433 267 P HA -0.185 nan 4.420 nan 0.000 0.215 267 P C 0.415 177.706 177.300 -0.016 0.000 1.153 267 P CA 1.629 64.712 63.100 -0.027 0.000 0.853 267 P CB -0.361 31.299 31.700 -0.067 0.000 0.788 268 D N -0.956 119.433 120.400 -0.019 0.000 2.355 268 D HA 0.011 4.651 4.640 0.000 0.000 0.253 268 D C 1.457 177.758 176.300 0.001 0.000 1.187 268 D CA 0.766 54.758 54.000 -0.012 0.000 0.900 268 D CB -0.987 39.803 40.800 -0.017 0.000 0.915 268 D HN 0.315 nan 8.370 nan 0.000 0.516 269 G N 1.048 109.853 108.800 0.009 0.000 2.377 269 G HA2 -0.366 3.594 3.960 0.000 0.000 0.250 269 G HA3 -0.366 3.594 3.960 0.000 0.000 0.250 269 G C 0.693 175.607 174.900 0.023 0.000 1.039 269 G CA 0.836 45.946 45.100 0.016 0.000 0.625 269 G HN 0.762 nan 8.290 nan 0.000 0.526 270 T N 0.041 114.608 114.554 0.021 0.000 2.916 270 T HA 0.586 4.937 4.350 0.000 0.000 0.303 270 T C 0.543 175.267 174.700 0.040 0.000 1.025 270 T CA -0.312 61.803 62.100 0.025 0.000 1.142 270 T CB 1.418 70.296 68.868 0.017 0.000 0.947 270 T HN 0.525 nan 8.240 nan 0.000 0.544 271 I N 3.010 123.601 120.570 0.034 0.000 2.365 271 I HA 0.384 4.554 4.170 0.000 0.000 0.291 271 I C 0.813 176.945 176.117 0.025 0.000 1.004 271 I CA -0.716 60.608 61.300 0.040 0.000 1.311 271 I CB 1.093 39.103 38.000 0.018 0.000 1.401 271 I HN 0.611 nan 8.210 nan 0.000 0.491 272 R N 4.700 125.243 120.500 0.072 0.000 2.637 272 R HA 0.666 5.006 4.340 0.000 0.000 0.291 272 R C 0.160 176.455 176.300 -0.009 0.000 0.963 272 R CA 0.377 56.514 56.100 0.062 0.000 0.901 272 R CB 1.712 32.122 30.300 0.183 0.000 1.160 272 R HN 0.881 nan 8.270 nan 0.000 0.457 273 G N 2.689 111.385 108.800 -0.172 0.000 2.499 273 G HA2 -0.271 3.690 3.960 0.000 0.000 0.232 273 G HA3 -0.271 3.690 3.960 0.000 0.000 0.232 273 G C -1.064 173.436 174.900 -0.666 0.000 1.251 273 G CA 0.075 44.990 45.100 -0.308 0.000 0.917 273 G HN 0.647 nan 8.290 nan 0.000 0.580 274 D N 1.752 121.953 120.400 -0.332 0.000 2.411 274 D HA 0.595 5.235 4.640 0.000 0.000 0.225 274 D C 1.511 177.768 176.300 -0.073 0.000 1.156 274 D CA 0.803 54.700 54.000 -0.172 0.000 0.874 274 D CB 0.666 41.706 40.800 0.402 0.000 1.034 274 D HN 0.946 nan 8.370 nan 0.000 0.502 275 A N 3.702 126.461 122.820 -0.101 0.000 2.084 275 A HA -0.124 4.196 4.320 0.000 0.000 0.221 275 A C 2.020 179.639 177.584 0.058 0.000 1.161 275 A CA 1.747 53.776 52.037 -0.014 0.000 0.653 275 A CB -0.217 18.782 19.000 -0.001 0.000 0.802 275 A HN 0.599 nan 8.150 nan 0.000 0.457 276 A N -0.543 122.341 122.820 0.108 0.000 2.066 276 A HA 0.042 4.362 4.320 0.000 0.000 0.218 276 A C 2.055 179.717 177.584 0.130 0.000 1.157 276 A CA 1.855 53.979 52.037 0.145 0.000 0.670 276 A CB -0.789 18.320 19.000 0.182 0.000 0.804 276 A HN 0.793 nan 8.150 nan 0.000 0.453 277 T N -2.912 111.704 114.554 0.104 0.000 3.186 277 T HA 0.360 4.710 4.350 0.000 0.000 0.257 277 T C 1.396 176.132 174.700 0.060 0.000 1.029 277 T CA -0.017 62.138 62.100 0.092 0.000 0.916 277 T CB -0.366 68.551 68.868 0.082 0.000 1.041 277 T HN 0.237 nan 8.240 nan 0.000 0.562 278 L N 0.727 121.974 121.223 0.040 0.000 1.971 278 L HA -0.141 4.199 4.340 0.000 0.000 0.215 278 L C 2.942 179.821 176.870 0.015 0.000 1.072 278 L CA 2.236 57.087 54.840 0.019 0.000 0.758 278 L CB -0.423 41.657 42.059 0.036 0.000 0.889 278 L HN 0.433 nan 8.230 nan 0.000 0.433 279 E N -0.477 119.737 120.200 0.023 0.000 2.051 279 E HA -0.286 4.064 4.350 0.000 0.000 0.192 279 E C 2.129 178.650 176.600 -0.131 0.000 0.991 279 E CA 1.454 57.833 56.400 -0.034 0.000 0.799 279 E CB -0.143 29.556 29.700 -0.001 0.000 0.748 279 E HN 0.380 nan 8.360 nan 0.000 0.449 280 F N 0.964 120.757 119.950 -0.262 0.000 2.234 280 F HA -0.127 4.400 4.527 0.000 0.000 0.299 280 F C 2.257 177.923 175.800 -0.223 0.000 1.087 280 F CA 1.596 59.384 58.000 -0.352 0.000 1.340 280 F CB -0.270 38.560 39.000 -0.283 0.000 1.031 280 F HN -0.032 nan 8.300 nan 0.000 0.500 281 T N -0.265 114.252 114.554 -0.062 0.000 2.833 281 T HA -0.238 4.112 4.350 0.000 0.000 0.269 281 T C 1.735 176.386 174.700 -0.082 0.000 1.054 281 T CA 1.538 63.573 62.100 -0.108 0.000 1.135 281 T CB -0.253 68.564 68.868 -0.084 0.000 0.869 281 T HN 0.233 nan 8.240 nan 0.000 0.466 282 Q N 0.838 120.587 119.800 -0.084 0.000 2.046 282 Q HA -0.017 4.323 4.340 0.000 0.000 0.200 282 Q C 2.127 178.055 176.000 -0.121 0.000 0.975 282 Q CA 1.163 56.937 55.803 -0.048 0.000 0.836 282 Q CB -0.828 27.885 28.738 -0.041 0.000 0.896 282 Q HN 0.406 nan 8.270 nan 0.000 0.428 283 L N -0.161 120.900 121.223 -0.270 0.000 2.043 283 L HA -0.219 4.121 4.340 0.000 0.000 0.212 283 L C 2.153 178.872 176.870 -0.252 0.000 1.075 283 L CA 1.921 56.587 54.840 -0.291 0.000 0.752 283 L CB -0.976 40.793 42.059 -0.483 0.000 0.891 283 L HN 0.404 nan 8.230 nan 0.000 0.432 284 C N -0.674 118.411 119.300 -0.357 0.000 2.425 284 C HA -0.119 4.341 4.460 0.000 0.000 0.277 284 C C 2.694 177.744 174.990 0.099 0.000 1.280 284 C CA 0.387 59.285 59.018 -0.201 0.000 1.744 284 C CB -0.929 26.576 27.740 -0.391 0.000 1.989 284 C HN 0.558 nan 8.230 nan 0.000 0.491 285 I N 1.521 122.172 120.570 0.135 0.000 2.179 285 I HA -0.143 4.027 4.170 0.000 0.000 0.242 285 I C 2.080 178.228 176.117 0.052 0.000 1.088 285 I CA 1.830 63.221 61.300 0.151 0.000 1.357 285 I CB -1.552 36.520 38.000 0.119 0.000 1.051 285 I HN 0.324 nan 8.210 nan 0.000 0.409 286 D N 0.918 121.318 120.400 0.001 0.000 2.182 286 D HA -0.122 4.518 4.640 0.000 0.000 0.201 286 D C 2.084 178.364 176.300 -0.034 0.000 0.986 286 D CA 0.939 54.919 54.000 -0.033 0.000 0.847 286 D CB -0.147 40.614 40.800 -0.065 0.000 0.942 286 D HN 0.335 nan 8.370 nan 0.000 0.467 287 L N -0.831 120.382 121.223 -0.017 0.000 2.612 287 L HA 0.240 4.580 4.340 0.000 0.000 0.230 287 L C 1.360 178.230 176.870 0.000 0.000 1.140 287 L CA 0.335 55.169 54.840 -0.009 0.000 0.896 287 L CB -0.012 42.038 42.059 -0.014 0.000 1.065 287 L HN 0.133 nan 8.230 nan 0.000 0.447 288 G N -1.023 107.789 108.800 0.020 0.000 2.179 288 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 288 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 288 G C -0.218 174.714 174.900 0.053 0.000 0.990 288 G CA -0.441 44.667 45.100 0.013 0.000 0.646 288 G HN 0.329 nan 8.290 nan 0.000 0.517 289 W N 4.105 125.357 121.300 -0.081 0.000 2.238 289 W HA 0.608 5.268 4.660 0.000 0.000 0.321 289 W C 0.706 177.193 176.519 -0.053 0.000 1.293 289 W CA -0.638 56.666 57.345 -0.067 0.000 1.204 289 W CB 0.785 30.206 29.460 -0.065 0.000 1.167 289 W HN 0.130 nan 8.180 nan 0.000 0.553 290 K N 8.027 127.952 120.400 -0.791 0.000 2.273 290 K HA 0.281 4.601 4.320 0.000 0.000 0.287 290 K C -2.577 173.228 176.600 -1.324 0.000 1.089 290 K CA -1.714 54.110 56.287 -0.771 0.000 0.909 290 K CB 0.547 32.767 32.500 -0.468 0.000 1.123 290 K HN 0.327 nan 8.250 nan 0.000 0.473 291 P HA 0.163 nan 4.420 nan 0.000 0.271 291 P C -0.370 176.432 177.300 -0.830 0.000 1.226 291 P CA -0.244 62.204 63.100 -1.087 0.000 0.765 291 P CB 0.599 31.709 31.700 -0.984 0.000 0.835 292 R N 2.117 122.288 120.500 -0.548 0.000 2.388 292 R HA 0.111 4.451 4.340 0.000 0.000 0.247 292 R C -0.060 176.141 176.300 -0.165 0.000 0.931 292 R CA -0.488 55.473 56.100 -0.232 0.000 1.082 292 R CB -0.564 29.699 30.300 -0.062 0.000 1.135 292 R HN 0.450 nan 8.270 nan 0.000 0.525 293 Y N 0.442 120.416 120.300 -0.543 0.000 3.010 293 Y HA -0.297 4.253 4.550 0.000 0.000 0.208 293 Y C 0.923 176.715 175.900 -0.179 0.000 1.265 293 Y CA 0.599 58.239 58.100 -0.767 0.000 0.797 293 Y CB -1.446 36.677 38.460 -0.562 0.000 1.228 293 Y HN 0.288 nan 8.280 nan 0.000 0.393 294 G N 0.308 109.250 108.800 0.236 0.000 2.798 294 G HA2 0.588 4.548 3.960 0.000 0.000 0.286 294 G HA3 0.588 4.548 3.960 0.000 0.000 0.286 294 G C 0.212 175.236 174.900 0.206 0.000 1.389 294 G CA -1.139 44.085 45.100 0.206 0.000 0.894 294 G HN 0.257 nan 8.290 nan 0.000 0.488 295 R N -1.241 119.253 120.500 -0.009 0.000 2.119 295 R HA 0.113 4.453 4.340 0.000 0.000 0.222 295 R C 0.047 176.016 176.300 -0.552 0.000 1.088 295 R CA 0.992 56.913 56.100 -0.299 0.000 0.984 295 R CB -0.012 29.984 30.300 -0.508 0.000 0.884 295 R HN 0.334 nan 8.270 nan 0.000 0.447 296 F N 0.933 120.857 119.950 -0.044 0.000 2.679 296 F HA 0.255 4.782 4.527 0.000 0.000 0.354 296 F C -0.749 174.991 175.800 -0.100 0.000 1.423 296 F CA -1.259 56.455 58.000 -0.476 0.000 1.141 296 F CB 0.519 39.123 39.000 -0.659 0.000 1.168 296 F HN -0.295 nan 8.300 nan 0.000 0.530 297 D N 1.504 122.071 120.400 0.278 0.000 2.316 297 D HA 0.193 4.833 4.640 0.000 0.000 0.245 297 D C 0.197 176.769 176.300 0.453 0.000 1.171 297 D CA 0.062 54.297 54.000 0.391 0.000 0.856 297 D CB 2.359 43.440 40.800 0.467 0.000 1.090 297 D HN -0.075 nan 8.370 nan 0.000 0.476 298 V N 3.972 124.129 119.914 0.405 0.000 2.485 298 V HA -0.021 4.099 4.120 0.000 0.000 0.287 298 V C 1.145 177.298 176.094 0.098 0.000 1.022 298 V CA -0.244 62.188 62.300 0.220 0.000 1.067 298 V CB 0.108 32.002 31.823 0.118 0.000 0.967 298 V HN 0.354 nan 8.190 nan 0.000 0.479 299 L N 8.297 129.472 121.223 -0.080 0.000 2.482 299 L HA 0.251 4.591 4.340 0.000 0.000 0.273 299 L C -1.633 175.069 176.870 -0.281 0.000 1.228 299 L CA -1.135 53.517 54.840 -0.313 0.000 0.827 299 L CB 0.580 42.520 42.059 -0.199 0.000 1.099 299 L HN 0.486 nan 8.230 nan 0.000 0.494 300 P HA 0.129 nan 4.420 nan 0.000 0.279 300 P C -1.002 176.280 177.300 -0.030 0.000 1.252 300 P CA -0.713 62.246 63.100 -0.235 0.000 0.811 300 P CB 1.283 32.713 31.700 -0.449 0.000 1.035 301 L N 2.281 123.570 121.223 0.111 0.000 2.313 301 L HA 0.156 4.496 4.340 0.000 0.000 0.282 301 L C -0.134 176.862 176.870 0.210 0.000 1.092 301 L CA -0.074 54.871 54.840 0.176 0.000 0.831 301 L CB 0.490 42.702 42.059 0.255 0.000 1.159 301 L HN 0.088 nan 8.230 nan 0.000 0.442 302 V N 6.427 126.461 119.914 0.200 0.000 2.293 302 V HA 0.382 4.502 4.120 0.000 0.000 0.275 302 V C -0.282 175.831 176.094 0.032 0.000 1.021 302 V CA -0.748 61.616 62.300 0.106 0.000 0.815 302 V CB 1.033 32.951 31.823 0.157 0.000 1.025 302 V HN 0.365 nan 8.190 nan 0.000 0.448 303 L N 5.156 126.379 121.223 -0.001 0.000 2.334 303 L HA 0.666 5.006 4.340 0.000 0.000 0.276 303 L C -0.094 176.651 176.870 -0.209 0.000 1.014 303 L CA -0.729 54.065 54.840 -0.076 0.000 0.815 303 L CB 1.610 43.624 42.059 -0.075 0.000 1.268 303 L HN 0.858 nan 8.230 nan 0.000 0.428 304 Q N 1.129 120.795 119.800 -0.222 0.000 2.320 304 Q HA 0.843 5.183 4.340 0.000 0.000 0.268 304 Q C -1.094 174.712 176.000 -0.323 0.000 1.023 304 Q CA -0.608 55.030 55.803 -0.275 0.000 0.744 304 Q CB 2.048 30.641 28.738 -0.242 0.000 1.246 304 Q HN 0.684 nan 8.270 nan 0.000 0.462 305 A N 2.532 125.095 122.820 -0.428 0.000 2.294 305 A HA 0.622 4.942 4.320 0.000 0.000 0.330 305 A C 0.220 177.218 177.584 -0.977 0.000 1.133 305 A CA 0.381 51.896 52.037 -0.870 0.000 0.836 305 A CB 0.750 19.460 19.000 -0.484 0.000 1.190 305 A HN 1.052 nan 8.150 nan 0.000 0.492 306 D N -0.138 119.221 120.400 -1.735 0.000 4.597 306 D HA -0.259 4.381 4.640 0.000 0.000 0.241 306 D C 1.076 177.089 176.300 -0.479 0.000 0.587 306 D CA 4.254 57.784 54.000 -0.782 0.000 1.574 306 D CB -1.371 39.183 40.800 -0.410 0.000 0.966 306 D HN 1.306 nan 8.370 nan 0.000 0.383 307 G N -1.412 107.156 108.800 -0.387 0.000 3.193 307 G HA2 0.219 4.179 3.960 0.000 0.000 0.183 307 G HA3 0.219 4.179 3.960 0.000 0.000 0.183 307 G C 0.020 174.837 174.900 -0.138 0.000 1.254 307 G CA 0.386 45.365 45.100 -0.201 0.000 0.898 307 G HN 0.401 nan 8.290 nan 0.000 0.816 308 Q N 1.466 121.147 119.800 -0.197 0.000 2.614 308 Q HA 0.245 4.586 4.340 0.000 0.000 0.244 308 Q C -0.044 175.873 176.000 -0.139 0.000 1.097 308 Q CA 0.371 56.086 55.803 -0.146 0.000 0.986 308 Q CB 0.451 29.098 28.738 -0.153 0.000 1.308 308 Q HN 0.206 nan 8.270 nan 0.000 0.546 309 D N 1.784 122.096 120.400 -0.147 0.000 2.382 309 D HA 0.090 4.730 4.640 0.000 0.000 0.240 309 D C -2.124 173.934 176.300 -0.404 0.000 1.146 309 D CA -0.889 52.933 54.000 -0.296 0.000 0.897 309 D CB 0.065 40.759 40.800 -0.176 0.000 1.197 309 D HN 0.324 nan 8.370 nan 0.000 0.432 310 P HA 0.097 nan 4.420 nan 0.000 0.271 310 P C -0.646 176.418 177.300 -0.394 0.000 1.216 310 P CA 0.015 62.682 63.100 -0.722 0.000 0.771 310 P CB 0.961 31.754 31.700 -1.511 0.000 0.864 311 E N 1.102 121.166 120.200 -0.228 0.000 2.202 311 E HA 0.394 4.744 4.350 0.000 0.000 0.272 311 E C -0.635 175.856 176.600 -0.183 0.000 0.951 311 E CA -1.170 55.108 56.400 -0.204 0.000 0.813 311 E CB 1.783 31.375 29.700 -0.180 0.000 1.151 311 E HN 0.181 nan 8.360 nan 0.000 0.398 312 V N 3.721 123.417 119.914 -0.364 0.000 2.394 312 V HA 0.386 4.506 4.120 0.000 0.000 0.282 312 V C -0.754 175.060 176.094 -0.466 0.000 1.031 312 V CA -0.401 61.761 62.300 -0.230 0.000 0.881 312 V CB 0.082 31.827 31.823 -0.129 0.000 0.982 312 V HN 0.508 nan 8.190 nan 0.000 0.451 313 F N 1.816 121.676 119.950 -0.150 0.000 2.547 313 F HA 0.479 5.006 4.527 0.000 0.000 0.316 313 F C 0.405 176.158 175.800 -0.078 0.000 1.121 313 F CA -0.788 57.034 58.000 -0.298 0.000 0.911 313 F CB 1.734 40.287 39.000 -0.745 0.000 1.179 313 F HN 0.385 nan 8.300 nan 0.000 0.443 314 E N 3.528 123.816 120.200 0.147 0.000 2.259 314 E HA 0.345 4.695 4.350 0.000 0.000 0.281 314 E C -0.449 176.356 176.600 0.342 0.000 1.027 314 E CA -0.510 56.035 56.400 0.242 0.000 0.838 314 E CB 1.640 31.487 29.700 0.245 0.000 1.066 314 E HN 0.478 nan 8.360 nan 0.000 0.401 315 I N 4.875 125.623 120.570 0.297 0.000 2.517 315 I HA 0.054 4.224 4.170 0.000 0.000 0.285 315 I C -2.024 174.215 176.117 0.202 0.000 1.106 315 I CA -1.829 59.629 61.300 0.264 0.000 1.402 315 I CB -0.066 38.001 38.000 0.112 0.000 1.399 315 I HN 0.164 nan 8.210 nan 0.000 0.535 316 P HA 0.022 nan 4.420 nan 0.000 0.258 316 P C -1.970 175.386 177.300 0.093 0.000 1.187 316 P CA -0.698 62.487 63.100 0.141 0.000 0.767 316 P CB 0.096 31.861 31.700 0.108 0.000 0.770 317 P HA -0.206 nan 4.420 nan 0.000 0.218 317 P C 0.687 178.022 177.300 0.058 0.000 1.146 317 P CA 1.407 64.556 63.100 0.082 0.000 0.820 317 P CB -0.008 31.744 31.700 0.088 0.000 0.778 318 D N -1.328 119.102 120.400 0.050 0.000 2.348 318 D HA -0.016 4.625 4.640 0.000 0.000 0.216 318 D C 1.707 178.021 176.300 0.023 0.000 0.970 318 D CA 0.788 54.808 54.000 0.034 0.000 0.889 318 D CB -0.035 40.783 40.800 0.030 0.000 0.912 318 D HN 0.291 nan 8.370 nan 0.000 0.524 319 L N 0.384 121.620 121.223 0.022 0.000 2.477 319 L HA 0.064 4.404 4.340 0.000 0.000 0.220 319 L C 0.607 177.482 176.870 0.009 0.000 1.106 319 L CA 0.169 55.013 54.840 0.007 0.000 0.851 319 L CB 0.567 42.619 42.059 -0.011 0.000 0.994 319 L HN -0.228 nan 8.230 nan 0.000 0.462 320 V N 2.455 122.379 119.914 0.017 0.000 2.322 320 V HA 0.120 4.240 4.120 0.000 0.000 0.258 320 V C 0.038 176.149 176.094 0.029 0.000 1.074 320 V CA -0.425 61.884 62.300 0.014 0.000 0.909 320 V CB 0.959 32.789 31.823 0.012 0.000 1.090 320 V HN 0.061 nan 8.190 nan 0.000 0.486 321 L N 5.765 127.004 121.223 0.027 0.000 2.331 321 L HA 0.506 4.846 4.340 0.000 0.000 0.278 321 L C 0.100 176.980 176.870 0.017 0.000 1.106 321 L CA 0.748 55.596 54.840 0.013 0.000 0.824 321 L CB 0.648 42.709 42.059 0.003 0.000 1.142 321 L HN 0.663 nan 8.230 nan 0.000 0.443 322 E N 3.040 123.231 120.200 -0.015 0.000 2.378 322 E HA 0.663 5.013 4.350 0.000 0.000 0.265 322 E C -1.522 174.996 176.600 -0.137 0.000 0.932 322 E CA -1.076 55.304 56.400 -0.034 0.000 0.795 322 E CB 2.429 32.139 29.700 0.018 0.000 1.296 322 E HN 0.396 nan 8.360 nan 0.000 0.438 323 V N 1.382 121.183 119.914 -0.188 0.000 2.531 323 V HA 0.277 4.397 4.120 0.000 0.000 0.301 323 V C -0.360 175.667 176.094 -0.112 0.000 1.034 323 V CA -0.887 61.252 62.300 -0.268 0.000 0.865 323 V CB 1.702 33.129 31.823 -0.661 0.000 0.995 323 V HN 0.834 nan 8.190 nan 0.000 0.424 324 T N 3.527 118.035 114.554 -0.076 0.000 2.749 324 T HA 0.474 4.825 4.350 0.000 0.000 0.295 324 T C -0.047 174.685 174.700 0.053 0.000 0.936 324 T CA -0.744 61.353 62.100 -0.005 0.000 1.060 324 T CB 0.597 69.467 68.868 0.004 0.000 0.904 324 T HN 0.317 nan 8.240 nan 0.000 0.500 325 M N 4.394 124.080 119.600 0.143 0.000 2.227 325 M HA 0.248 4.728 4.480 0.000 0.000 0.349 325 M C 0.474 176.959 176.300 0.309 0.000 1.443 325 M CA 0.093 55.546 55.300 0.254 0.000 1.110 325 M CB -0.608 32.242 32.600 0.417 0.000 1.773 325 M HN 0.899 nan 8.290 nan 0.000 0.463 326 E N 2.116 122.437 120.200 0.202 0.000 2.304 326 E HA 0.337 4.687 4.350 0.000 0.000 0.277 326 E C -1.161 175.480 176.600 0.069 0.000 0.898 326 E CA -0.826 55.698 56.400 0.206 0.000 0.764 326 E CB 1.732 31.527 29.700 0.158 0.000 1.216 326 E HN 0.590 nan 8.360 nan 0.000 0.419 327 H N 4.144 123.092 119.070 -0.203 0.000 2.582 327 H HA 0.150 4.706 4.556 0.000 0.000 0.345 327 H C -1.577 173.533 175.328 -0.363 0.000 1.104 327 H CA -1.808 53.976 56.048 -0.439 0.000 1.390 327 H CB 1.716 31.101 29.762 -0.628 0.000 1.461 327 H HN 0.484 nan 8.280 nan 0.000 0.551 328 P HA -0.014 nan 4.420 nan 0.000 0.242 328 P C 0.312 177.468 177.300 -0.240 0.000 1.197 328 P CA 0.702 63.423 63.100 -0.631 0.000 0.765 328 P CB 0.647 31.738 31.700 -1.016 0.000 0.936 329 K N -1.966 118.423 120.400 -0.018 0.000 2.711 329 K HA 0.136 4.457 4.320 0.000 0.000 0.197 329 K C 0.134 176.737 176.600 0.006 0.000 1.535 329 K CA 0.367 56.625 56.287 -0.048 0.000 1.170 329 K CB 0.181 32.597 32.500 -0.140 0.000 1.596 329 K HN 0.054 nan 8.250 nan 0.000 0.584 330 Y N 3.675 123.799 120.300 -0.294 0.000 2.535 330 Y HA 0.208 4.758 4.550 0.000 0.000 0.349 330 Y C 1.413 177.004 175.900 -0.514 0.000 0.992 330 Y CA -0.950 56.735 58.100 -0.692 0.000 1.248 330 Y CB 0.534 38.099 38.460 -1.493 0.000 1.124 330 Y HN -0.035 nan 8.280 nan 0.000 0.520 331 E N 2.894 123.027 120.200 -0.113 0.000 2.153 331 E HA -0.209 4.141 4.350 0.000 0.000 0.194 331 E C 1.885 178.517 176.600 0.054 0.000 0.988 331 E CA 1.148 57.554 56.400 0.011 0.000 0.811 331 E CB -0.228 29.523 29.700 0.085 0.000 0.746 331 E HN 0.896 nan 8.360 nan 0.000 0.466 332 W N -0.434 120.949 121.300 0.139 0.000 2.825 332 W HA 0.012 4.672 4.660 0.000 0.000 0.243 332 W C 1.452 178.031 176.519 0.100 0.000 1.293 332 W CA -0.246 57.147 57.345 0.079 0.000 1.403 332 W CB -1.036 28.426 29.460 0.003 0.000 1.134 332 W HN -0.098 nan 8.180 nan 0.000 0.666 333 F N 2.387 122.189 119.950 -0.246 0.000 2.206 333 F HA -0.161 4.366 4.527 0.000 0.000 0.298 333 F C 2.970 178.800 175.800 0.050 0.000 1.090 333 F CA 2.376 60.301 58.000 -0.126 0.000 1.323 333 F CB -0.433 38.412 39.000 -0.258 0.000 1.028 333 F HN -0.105 nan 8.300 nan 0.000 0.492 334 Q N 0.379 120.314 119.800 0.224 0.000 2.224 334 Q HA -0.211 4.129 4.340 0.000 0.000 0.203 334 Q C 1.644 177.713 176.000 0.115 0.000 0.970 334 Q CA 1.656 57.563 55.803 0.173 0.000 0.865 334 Q CB -0.168 28.654 28.738 0.140 0.000 0.922 334 Q HN 0.502 nan 8.270 nan 0.000 0.445 335 E N -0.204 120.070 120.200 0.123 0.000 2.472 335 E HA -0.125 4.225 4.350 0.000 0.000 0.200 335 E C 1.297 177.935 176.600 0.063 0.000 1.046 335 E CA -0.002 56.462 56.400 0.105 0.000 0.871 335 E CB 0.220 30.006 29.700 0.143 0.000 0.806 335 E HN 0.297 nan 8.360 nan 0.000 0.533 336 L N -0.366 120.860 121.223 0.005 0.000 2.313 336 L HA 0.046 4.386 4.340 0.000 0.000 0.214 336 L C 1.637 178.519 176.870 0.019 0.000 1.119 336 L CA 1.445 56.251 54.840 -0.058 0.000 0.809 336 L CB -1.132 40.757 42.059 -0.283 0.000 0.933 336 L HN 0.274 nan 8.230 nan 0.000 0.449 337 G N 0.016 108.855 108.800 0.066 0.000 2.179 337 G HA2 -0.291 3.669 3.960 0.000 0.000 0.257 337 G HA3 -0.291 3.669 3.960 0.000 0.000 0.257 337 G C 0.407 175.450 174.900 0.240 0.000 1.010 337 G CA 0.377 45.559 45.100 0.138 0.000 0.736 337 G HN 0.327 nan 8.290 nan 0.000 0.513 338 L N -0.556 120.763 121.223 0.159 0.000 2.439 338 L HA 0.748 5.089 4.340 0.000 0.000 0.261 338 L C 0.752 177.636 176.870 0.024 0.000 1.153 338 L CA -0.047 54.907 54.840 0.189 0.000 0.808 338 L CB 1.354 43.381 42.059 -0.052 0.000 1.126 338 L HN 0.552 nan 8.230 nan 0.000 0.460 339 K N 0.378 120.627 120.400 -0.251 0.000 2.658 339 K HA 0.442 4.762 4.320 0.000 0.000 0.293 339 K C -2.097 174.423 176.600 -0.134 0.000 1.026 339 K CA -1.090 55.063 56.287 -0.223 0.000 0.871 339 K CB 1.725 34.014 32.500 -0.351 0.000 1.524 339 K HN 0.573 nan 8.250 nan 0.000 0.400 340 W N 1.824 123.020 121.300 -0.173 0.000 3.248 340 W HA 0.329 4.989 4.660 0.000 0.000 0.311 340 W C -1.322 175.183 176.519 -0.023 0.000 1.258 340 W CA -0.794 56.502 57.345 -0.081 0.000 1.191 340 W CB 1.550 30.830 29.460 -0.299 0.000 1.389 340 W HN 0.688 nan 8.180 nan 0.000 0.561 341 Y N 1.159 121.276 120.300 -0.304 0.000 2.411 341 Y HA 0.491 5.041 4.550 0.000 0.000 0.333 341 Y C 0.789 176.818 175.900 0.216 0.000 1.186 341 Y CA 0.230 58.251 58.100 -0.131 0.000 1.381 341 Y CB 0.252 38.504 38.460 -0.346 0.000 1.273 341 Y HN 0.344 nan 8.280 nan 0.000 0.546 342 A N 2.998 125.995 122.820 0.295 0.000 2.123 342 A HA 0.099 4.419 4.320 0.000 0.000 0.214 342 A C 0.407 178.271 177.584 0.467 0.000 1.152 342 A CA 0.155 52.422 52.037 0.383 0.000 0.728 342 A CB -0.249 18.834 19.000 0.139 0.000 0.814 342 A HN 0.680 nan 8.150 nan 0.000 0.464 343 L N 1.846 123.301 121.223 0.385 0.000 2.262 343 L HA 0.426 4.766 4.340 0.000 0.000 0.288 343 L C -2.580 174.389 176.870 0.166 0.000 1.035 343 L CA -2.169 52.810 54.840 0.232 0.000 0.820 343 L CB 1.570 43.705 42.059 0.127 0.000 1.204 343 L HN -0.061 nan 8.230 nan 0.000 0.424 344 P HA 0.330 nan 4.420 nan 0.000 0.273 344 P C -1.399 175.758 177.300 -0.240 0.000 1.531 344 P CA -0.299 62.590 63.100 -0.353 0.000 1.027 344 P CB 1.171 32.331 31.700 -0.901 0.000 1.387 345 A N 4.471 127.162 122.820 -0.215 0.000 2.363 345 A HA 0.432 4.752 4.320 0.000 0.000 0.296 345 A C -0.090 177.232 177.584 -0.438 0.000 1.237 345 A CA -0.675 51.170 52.037 -0.321 0.000 0.773 345 A CB 0.868 19.699 19.000 -0.281 0.000 1.153 345 A HN 0.278 nan 8.150 nan 0.000 0.473 346 V N 2.122 121.617 119.914 -0.697 0.000 2.521 346 V HA 0.309 4.429 4.120 0.000 0.000 0.286 346 V C 1.255 176.918 176.094 -0.719 0.000 1.034 346 V CA 1.059 62.914 62.300 -0.740 0.000 1.045 346 V CB 0.918 32.119 31.823 -1.037 0.000 0.974 346 V HN 1.059 nan 8.190 nan 0.000 0.480 347 A N 4.017 126.602 122.820 -0.392 0.000 2.469 347 A HA 0.162 4.482 4.320 0.000 0.000 0.245 347 A C 1.168 178.688 177.584 -0.108 0.000 1.221 347 A CA 0.269 52.160 52.037 -0.244 0.000 0.946 347 A CB -0.161 18.735 19.000 -0.173 0.000 1.049 347 A HN 0.930 nan 8.150 nan 0.000 0.529 348 N N -1.066 117.577 118.700 -0.095 0.000 2.282 348 N HA 0.301 5.041 4.740 0.000 0.000 0.240 348 N C -0.021 175.519 175.510 0.051 0.000 1.182 348 N CA -0.261 52.785 53.050 -0.007 0.000 0.874 348 N CB 0.227 38.703 38.487 -0.019 0.000 1.126 348 N HN 0.272 nan 8.380 nan 0.000 0.516 349 M N 1.191 120.829 119.600 0.064 0.000 2.471 349 M HA 0.370 4.850 4.480 0.000 0.000 0.309 349 M C -0.696 175.732 176.300 0.213 0.000 1.186 349 M CA -0.849 54.543 55.300 0.152 0.000 1.008 349 M CB 2.436 35.139 32.600 0.173 0.000 1.551 349 M HN 0.118 nan 8.290 nan 0.000 0.477 350 L N 2.729 124.099 121.223 0.246 0.000 2.313 350 L HA 0.503 4.843 4.340 0.000 0.000 0.283 350 L C -1.342 175.714 176.870 0.310 0.000 1.013 350 L CA -0.991 54.011 54.840 0.269 0.000 0.816 350 L CB 1.272 43.464 42.059 0.221 0.000 1.236 350 L HN 0.591 nan 8.230 nan 0.000 0.419 351 L N 5.360 126.763 121.223 0.299 0.000 2.261 351 L HA 0.414 4.754 4.340 0.000 0.000 0.289 351 L C -0.218 176.777 176.870 0.208 0.000 1.059 351 L CA 0.382 55.313 54.840 0.150 0.000 0.816 351 L CB 0.833 42.934 42.059 0.070 0.000 1.191 351 L HN 0.634 nan 8.230 nan 0.000 0.431 352 E N 4.673 124.961 120.200 0.147 0.000 2.231 352 E HA 0.511 4.861 4.350 0.000 0.000 0.277 352 E C -1.768 174.840 176.600 0.012 0.000 0.999 352 E CA -0.450 56.043 56.400 0.155 0.000 0.827 352 E CB 1.945 31.819 29.700 0.290 0.000 1.101 352 E HN 0.522 nan 8.360 nan 0.000 0.393 353 V N 3.103 123.002 119.914 -0.025 0.000 2.789 353 V HA 0.423 4.543 4.120 0.000 0.000 0.300 353 V C 0.203 176.169 176.094 -0.213 0.000 1.184 353 V CA 0.442 62.600 62.300 -0.237 0.000 0.930 353 V CB 1.234 32.844 31.823 -0.356 0.000 1.041 353 V HN 0.900 nan 8.190 nan 0.000 0.430 354 G N 4.458 113.143 108.800 -0.192 0.000 2.416 354 G HA2 0.063 4.023 3.960 0.000 0.000 0.301 354 G HA3 0.063 4.023 3.960 0.000 0.000 0.301 354 G C 1.615 176.670 174.900 0.258 0.000 0.985 354 G CA 1.500 46.690 45.100 0.149 0.000 0.934 354 G HN 2.744 nan 8.290 nan 0.000 0.513 355 G N -2.014 106.882 108.800 0.160 0.000 2.225 355 G HA2 -0.264 3.696 3.960 0.000 0.000 0.254 355 G HA3 -0.264 3.696 3.960 0.000 0.000 0.254 355 G C 0.497 175.469 174.900 0.120 0.000 0.988 355 G CA 0.547 45.784 45.100 0.229 0.000 0.625 355 G HN 1.278 nan 8.290 nan 0.000 0.527 356 L N 1.492 122.748 121.223 0.054 0.000 2.326 356 L HA 0.590 4.930 4.340 0.000 0.000 0.278 356 L C 0.436 177.217 176.870 -0.148 0.000 1.092 356 L CA -0.592 54.177 54.840 -0.118 0.000 0.810 356 L CB 1.152 43.061 42.059 -0.251 0.000 1.153 356 L HN 0.494 nan 8.230 nan 0.000 0.439 357 E N 2.608 122.650 120.200 -0.263 0.000 2.234 357 E HA 0.475 4.825 4.350 0.000 0.000 0.266 357 E C -1.577 174.857 176.600 -0.276 0.000 0.877 357 E CA -0.691 55.630 56.400 -0.132 0.000 0.758 357 E CB 1.622 31.304 29.700 -0.030 0.000 1.170 357 E HN 0.217 nan 8.360 nan 0.000 0.415 358 F N 3.182 123.152 119.950 0.034 0.000 2.325 358 F HA 0.293 4.820 4.527 0.000 0.000 0.369 358 F C -1.569 174.297 175.800 0.111 0.000 1.095 358 F CA -2.606 55.431 58.000 0.062 0.000 1.082 358 F CB 1.632 40.655 39.000 0.039 0.000 1.289 358 F HN 0.401 nan 8.300 nan 0.000 0.462 359 P HA -0.036 nan 4.420 nan 0.000 0.234 359 P C -0.016 177.432 177.300 0.247 0.000 1.167 359 P CA 0.654 63.882 63.100 0.214 0.000 0.763 359 P CB 0.470 32.269 31.700 0.165 0.000 0.835 360 A N 0.298 123.312 122.820 0.323 0.000 2.375 360 A HA 0.561 4.881 4.320 0.000 0.000 0.291 360 A C -0.252 177.560 177.584 0.381 0.000 1.160 360 A CA -0.430 51.823 52.037 0.360 0.000 0.747 360 A CB 0.483 19.732 19.000 0.415 0.000 1.170 360 A HN 0.293 nan 8.150 nan 0.000 0.458 361 C N 1.124 120.587 119.300 0.272 0.000 3.096 361 C HA 0.487 4.947 4.460 0.000 0.000 0.329 361 C C -3.129 171.930 174.990 0.116 0.000 0.912 361 C CA -1.391 57.726 59.018 0.164 0.000 1.168 361 C CB 0.012 27.841 27.740 0.149 0.000 1.627 361 C HN 0.591 nan 8.230 nan 0.000 0.622 362 P HA 0.397 nan 4.420 nan 0.000 0.271 362 P C -0.555 176.690 177.300 -0.091 0.000 1.220 362 P CA 0.714 63.717 63.100 -0.162 0.000 0.768 362 P CB 0.618 32.205 31.700 -0.188 0.000 0.848 363 F N 1.332 121.164 119.950 -0.196 0.000 2.611 363 F HA 0.751 5.278 4.527 0.000 0.000 0.324 363 F C -0.493 175.163 175.800 -0.240 0.000 1.061 363 F CA -1.107 56.768 58.000 -0.210 0.000 0.954 363 F CB 1.782 40.505 39.000 -0.461 0.000 1.301 363 F HN 0.354 nan 8.300 nan 0.000 0.482 364 N N -0.375 118.343 118.700 0.029 0.000 2.598 364 N HA 0.603 5.343 4.740 0.000 0.000 0.263 364 N C -1.319 174.092 175.510 -0.166 0.000 1.254 364 N CA -0.334 52.668 53.050 -0.081 0.000 0.863 364 N CB 1.636 40.125 38.487 0.004 0.000 1.586 364 N HN 1.059 nan 8.380 nan 0.000 0.491 365 G N -0.492 108.175 108.800 -0.222 0.000 3.377 365 G HA2 0.685 4.645 3.960 0.000 0.000 0.182 365 G HA3 0.685 4.645 3.960 0.000 0.000 0.182 365 G C -1.648 173.209 174.900 -0.072 0.000 1.166 365 G CA -0.456 44.447 45.100 -0.329 0.000 0.771 365 G HN 0.705 nan 8.290 nan 0.000 0.701 366 W N -1.605 119.672 121.300 -0.039 0.000 3.031 366 W HA 0.810 5.470 4.660 0.000 0.000 0.337 366 W C -1.559 174.944 176.519 -0.026 0.000 1.187 366 W CA -2.301 55.041 57.345 -0.006 0.000 1.166 366 W CB 0.347 29.838 29.460 0.052 0.000 1.437 366 W HN 0.403 nan 8.180 nan 0.000 0.551 367 Y N 2.413 122.882 120.300 0.282 0.000 2.426 367 Y HA 0.268 4.818 4.550 0.000 0.000 0.344 367 Y C 0.697 176.624 175.900 0.045 0.000 1.256 367 Y CA -0.449 57.687 58.100 0.060 0.000 1.451 367 Y CB 1.008 39.403 38.460 -0.109 0.000 1.342 367 Y HN 0.472 nan 8.280 nan 0.000 0.600 368 M N 2.395 122.127 119.600 0.219 0.000 2.125 368 M HA 0.336 4.816 4.480 0.000 0.000 0.321 368 M C 1.059 177.296 176.300 -0.105 0.000 0.983 368 M CA -0.191 55.148 55.300 0.065 0.000 0.934 368 M CB 1.212 33.841 32.600 0.049 0.000 1.542 368 M HN 0.855 nan 8.290 nan 0.000 0.424 369 G N 2.133 110.825 108.800 -0.179 0.000 2.759 369 G HA2 -0.415 3.546 3.960 0.000 0.000 0.224 369 G HA3 -0.415 3.546 3.960 0.000 0.000 0.224 369 G C 1.139 175.838 174.900 -0.335 0.000 1.173 369 G CA 2.298 47.226 45.100 -0.286 0.000 0.770 369 G HN 0.880 nan 8.290 nan 0.000 0.626 370 T N -1.056 113.299 114.554 -0.331 0.000 2.822 370 T HA -0.121 4.229 4.350 0.000 0.000 0.270 370 T C 1.997 176.494 174.700 -0.339 0.000 1.064 370 T CA 1.952 63.821 62.100 -0.385 0.000 1.131 370 T CB -0.178 68.395 68.868 -0.493 0.000 0.858 370 T HN 0.396 nan 8.240 nan 0.000 0.483 371 E N 1.352 121.371 120.200 -0.303 0.000 2.051 371 E HA -0.035 4.315 4.350 0.000 0.000 0.192 371 E C 1.909 178.198 176.600 -0.518 0.000 0.991 371 E CA 1.287 57.518 56.400 -0.282 0.000 0.799 371 E CB -0.507 29.162 29.700 -0.050 0.000 0.748 371 E HN 0.710 nan 8.360 nan 0.000 0.449 372 I N -0.654 119.444 120.570 -0.787 0.000 2.188 372 I HA -0.034 4.136 4.170 0.000 0.000 0.237 372 I C 2.408 177.931 176.117 -0.990 0.000 1.073 372 I CA 0.999 61.547 61.300 -1.254 0.000 1.359 372 I CB -0.682 36.477 38.000 -1.402 0.000 1.083 372 I HN 0.245 nan 8.210 nan 0.000 0.412 373 G N 0.402 108.871 108.800 -0.552 0.000 2.442 373 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 373 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 373 G C 1.581 176.436 174.900 -0.075 0.000 1.141 373 G CA 1.164 46.180 45.100 -0.141 0.000 0.763 373 G HN 0.261 nan 8.290 nan 0.000 0.554 374 V N -0.143 119.651 119.914 -0.201 0.000 2.581 374 V HA 0.106 4.226 4.120 0.000 0.000 0.240 374 V C 2.734 178.742 176.094 -0.143 0.000 1.054 374 V CA 0.831 63.042 62.300 -0.147 0.000 1.076 374 V CB -0.157 31.546 31.823 -0.200 0.000 0.748 374 V HN 0.105 nan 8.190 nan 0.000 0.474 375 R N 0.792 121.159 120.500 -0.220 0.000 2.046 375 R HA 0.006 4.346 4.340 0.000 0.000 0.223 375 R C 2.009 178.211 176.300 -0.163 0.000 1.179 375 R CA 1.445 57.435 56.100 -0.183 0.000 0.952 375 R CB -1.187 28.989 30.300 -0.205 0.000 0.843 375 R HN 0.434 nan 8.270 nan 0.000 0.439 376 D N 0.610 120.797 120.400 -0.356 0.000 2.104 376 D HA -0.149 4.491 4.640 0.000 0.000 0.194 376 D C 1.889 178.108 176.300 -0.134 0.000 0.994 376 D CA 1.217 54.955 54.000 -0.437 0.000 0.830 376 D CB -0.229 39.745 40.800 -1.376 0.000 0.959 376 D HN 0.086 nan 8.370 nan 0.000 0.452 377 F N 0.189 119.989 119.950 -0.251 0.000 2.219 377 F HA 0.025 4.552 4.527 0.000 0.000 0.294 377 F C 2.383 178.207 175.800 0.040 0.000 1.086 377 F CA -0.130 57.831 58.000 -0.065 0.000 1.330 377 F CB -0.644 38.309 39.000 -0.078 0.000 1.047 377 F HN 0.029 nan 8.300 nan 0.000 0.495 378 C N -1.021 118.392 119.300 0.188 0.000 2.926 378 C HA 0.186 4.646 4.460 0.000 0.000 0.272 378 C C 0.321 175.362 174.990 0.085 0.000 1.249 378 C CA -0.656 58.437 59.018 0.124 0.000 1.691 378 C CB -0.800 26.986 27.740 0.078 0.000 1.983 378 C HN 0.074 nan 8.230 nan 0.000 0.615 379 D N 1.729 122.175 120.400 0.077 0.000 2.424 379 D HA 0.100 4.741 4.640 0.000 0.000 0.244 379 D C 1.534 177.893 176.300 0.098 0.000 1.134 379 D CA 0.417 54.457 54.000 0.066 0.000 0.881 379 D CB 1.078 41.912 40.800 0.056 0.000 1.191 379 D HN 0.387 nan 8.370 nan 0.000 0.445 380 T N -0.334 114.269 114.554 0.081 0.000 2.929 380 T HA -0.237 4.113 4.350 0.000 0.000 0.271 380 T C 1.347 176.100 174.700 0.088 0.000 1.085 380 T CA 0.906 63.056 62.100 0.083 0.000 1.125 380 T CB -0.051 68.858 68.868 0.068 0.000 0.874 380 T HN 0.520 nan 8.240 nan 0.000 0.494 381 Q N 0.227 120.087 119.800 0.100 0.000 2.425 381 Q HA 0.121 4.461 4.340 0.000 0.000 0.204 381 Q C 1.244 177.315 176.000 0.118 0.000 0.933 381 Q CA 0.002 55.870 55.803 0.108 0.000 0.939 381 Q CB 0.164 28.984 28.738 0.137 0.000 1.044 381 Q HN 0.380 nan 8.270 nan 0.000 0.513 382 R N 0.018 120.605 120.500 0.145 0.000 2.120 382 R HA 0.209 4.549 4.340 0.000 0.000 0.117 382 R C 1.512 177.923 176.300 0.184 0.000 1.688 382 R CA -0.141 56.087 56.100 0.213 0.000 1.540 382 R CB -1.117 29.360 30.300 0.295 0.000 1.245 382 R HN 0.105 nan 8.270 nan 0.000 0.482 383 Y N 1.517 121.946 120.300 0.216 0.000 2.544 383 Y HA 0.033 4.583 4.550 0.000 0.000 0.286 383 Y C 0.398 176.392 175.900 0.157 0.000 1.141 383 Y CA -0.014 58.222 58.100 0.226 0.000 1.299 383 Y CB -0.351 38.338 38.460 0.382 0.000 1.030 383 Y HN 0.401 nan 8.280 nan 0.000 0.543 384 N N 1.491 120.349 118.700 0.264 0.000 2.664 384 N HA -0.231 4.509 4.740 0.000 0.000 0.296 384 N C 0.228 175.834 175.510 0.160 0.000 1.153 384 N CA 0.906 54.062 53.050 0.176 0.000 0.765 384 N CB -0.959 37.601 38.487 0.122 0.000 0.962 384 N HN 0.684 nan 8.380 nan 0.000 0.564 385 I N -1.110 119.557 120.570 0.162 0.000 4.025 385 I HA 0.132 4.302 4.170 0.000 0.000 0.336 385 I C 1.567 177.756 176.117 0.119 0.000 1.390 385 I CA -0.611 60.750 61.300 0.102 0.000 1.099 385 I CB -0.018 37.989 38.000 0.011 0.000 1.049 385 I HN 0.234 nan 8.210 nan 0.000 0.394 386 L N 1.148 122.465 121.223 0.157 0.000 1.976 386 L HA -0.154 4.186 4.340 0.000 0.000 0.209 386 L C 2.753 179.816 176.870 0.321 0.000 1.071 386 L CA 1.844 56.813 54.840 0.214 0.000 0.746 386 L CB -0.375 41.777 42.059 0.155 0.000 0.890 386 L HN 0.408 nan 8.230 nan 0.000 0.432 387 E N -0.065 120.316 120.200 0.302 0.000 2.070 387 E HA -0.324 4.026 4.350 0.000 0.000 0.197 387 E C 1.918 178.536 176.600 0.029 0.000 1.004 387 E CA 1.995 58.530 56.400 0.225 0.000 0.805 387 E CB 0.049 29.828 29.700 0.131 0.000 0.744 387 E HN 0.399 nan 8.360 nan 0.000 0.451 388 E N 0.228 120.446 120.200 0.029 0.000 2.051 388 E HA -0.136 4.214 4.350 0.000 0.000 0.192 388 E C 2.065 178.634 176.600 -0.051 0.000 0.991 388 E CA 1.456 57.834 56.400 -0.037 0.000 0.799 388 E CB -0.296 29.390 29.700 -0.024 0.000 0.748 388 E HN 0.081 nan 8.360 nan 0.000 0.449 389 V N 0.445 120.390 119.914 0.052 0.000 2.594 389 V HA -0.145 3.975 4.120 0.000 0.000 0.253 389 V C 2.261 178.424 176.094 0.115 0.000 1.069 389 V CA 1.711 64.094 62.300 0.139 0.000 1.082 389 V CB -1.017 30.974 31.823 0.280 0.000 0.680 389 V HN 0.497 nan 8.190 nan 0.000 0.469 390 G N 0.262 109.137 108.800 0.124 0.000 2.418 390 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 390 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 390 G C 1.742 176.534 174.900 -0.181 0.000 1.158 390 G CA 0.655 45.790 45.100 0.058 0.000 0.771 390 G HN 0.461 nan 8.290 nan 0.000 0.545 391 R N -0.100 120.239 120.500 -0.268 0.000 2.066 391 R HA 0.025 4.365 4.340 0.000 0.000 0.232 391 R C 2.574 178.652 176.300 -0.371 0.000 1.131 391 R CA 0.859 56.777 56.100 -0.303 0.000 0.955 391 R CB -0.313 29.825 30.300 -0.269 0.000 0.851 391 R HN 0.096 nan 8.270 nan 0.000 0.432 392 R N 0.621 120.810 120.500 -0.517 0.000 2.303 392 R HA -0.066 4.274 4.340 0.000 0.000 0.225 392 R C 1.726 177.427 176.300 -0.999 0.000 1.114 392 R CA 1.123 56.629 56.100 -0.990 0.000 1.007 392 R CB -0.292 29.044 30.300 -1.608 0.000 0.861 392 R HN 0.406 nan 8.270 nan 0.000 0.471 393 M N -1.078 118.238 119.600 -0.475 0.000 2.441 393 M HA 0.163 4.643 4.480 0.000 0.000 0.244 393 M C 0.539 176.741 176.300 -0.162 0.000 1.122 393 M CA 0.515 55.684 55.300 -0.219 0.000 1.041 393 M CB 0.646 33.268 32.600 0.036 0.000 1.438 393 M HN 0.270 nan 8.290 nan 0.000 0.484 394 G N 2.568 111.244 108.800 -0.206 0.000 2.256 394 G HA2 -0.215 3.745 3.960 0.000 0.000 0.272 394 G HA3 -0.215 3.745 3.960 0.000 0.000 0.272 394 G C -0.331 174.510 174.900 -0.099 0.000 1.076 394 G CA -0.106 44.903 45.100 -0.152 0.000 0.882 394 G HN 0.392 nan 8.290 nan 0.000 0.497 395 L N -1.132 120.021 121.223 -0.116 0.000 2.334 395 L HA 0.486 4.826 4.340 0.000 0.000 0.270 395 L C 0.926 177.687 176.870 -0.182 0.000 1.018 395 L CA -1.062 53.736 54.840 -0.071 0.000 0.811 395 L CB 1.111 43.197 42.059 0.045 0.000 1.271 395 L HN 0.153 nan 8.230 nan 0.000 0.443 396 E N 0.482 120.616 120.200 -0.109 0.000 2.614 396 E HA -0.023 4.327 4.350 0.000 0.000 0.321 396 E C 0.591 176.953 176.600 -0.396 0.000 1.354 396 E CA -0.148 56.172 56.400 -0.133 0.000 1.469 396 E CB -0.184 29.520 29.700 0.007 0.000 1.197 396 E HN 0.563 nan 8.360 nan 0.000 0.497 397 T N 0.514 114.597 114.554 -0.785 0.000 2.848 397 T HA -0.200 4.150 4.350 0.000 0.000 0.269 397 T C 1.209 175.394 174.700 -0.859 0.000 1.081 397 T CA 1.103 62.289 62.100 -1.522 0.000 1.125 397 T CB -0.149 67.957 68.868 -1.269 0.000 0.848 397 T HN 0.523 nan 8.240 nan 0.000 0.503 398 H N 0.693 119.591 119.070 -0.287 0.000 2.497 398 H HA 0.094 4.650 4.556 0.000 0.000 0.282 398 H C 0.923 176.276 175.328 0.041 0.000 1.003 398 H CA 0.922 56.923 56.048 -0.078 0.000 1.307 398 H CB 0.194 29.909 29.762 -0.078 0.000 1.437 398 H HN 0.360 nan 8.280 nan 0.000 0.544 399 T N 1.051 115.695 114.554 0.150 0.000 2.781 399 T HA 0.142 4.492 4.350 0.000 0.000 0.305 399 T C 1.282 176.144 174.700 0.269 0.000 1.001 399 T CA -0.386 61.817 62.100 0.171 0.000 0.950 399 T CB 1.576 70.516 68.868 0.121 0.000 0.955 399 T HN -0.058 nan 8.240 nan 0.000 0.471 400 L N 3.154 124.531 121.223 0.256 0.000 2.079 400 L HA 0.007 4.347 4.340 0.000 0.000 0.210 400 L C 2.518 179.475 176.870 0.144 0.000 1.081 400 L CA 1.881 56.862 54.840 0.236 0.000 0.752 400 L CB -0.887 41.254 42.059 0.136 0.000 0.896 400 L HN 0.828 nan 8.230 nan 0.000 0.433 401 A N -1.528 121.364 122.820 0.121 0.000 2.216 401 A HA -0.124 4.196 4.320 0.000 0.000 0.214 401 A C 2.310 179.954 177.584 0.099 0.000 1.160 401 A CA 1.207 53.294 52.037 0.084 0.000 0.725 401 A CB -0.863 18.178 19.000 0.069 0.000 0.784 401 A HN 0.616 nan 8.150 nan 0.000 0.472 402 S N -0.436 115.362 115.700 0.163 0.000 2.607 402 S HA 0.108 4.578 4.470 0.000 0.000 0.224 402 S C 0.918 175.614 174.600 0.160 0.000 0.969 402 S CA 0.601 58.903 58.200 0.172 0.000 0.927 402 S CB -0.776 62.557 63.200 0.222 0.000 0.772 402 S HN 0.818 nan 8.310 nan 0.000 0.533 403 L N 0.029 121.310 121.223 0.097 0.000 4.179 403 L HA -0.197 4.143 4.340 0.000 0.000 0.418 403 L C 1.765 178.650 176.870 0.024 0.000 1.168 403 L CA 0.973 55.817 54.840 0.005 0.000 0.972 403 L CB -2.794 39.279 42.059 0.022 0.000 2.005 403 L HN 0.773 nan 8.230 nan 0.000 0.935 404 W N 0.543 121.860 121.300 0.029 0.000 2.350 404 W HA -0.186 4.474 4.660 0.000 0.000 0.289 404 W C 1.748 178.291 176.519 0.040 0.000 1.215 404 W CA 1.380 58.744 57.345 0.032 0.000 1.236 404 W CB -0.757 28.712 29.460 0.015 0.000 1.130 404 W HN 0.255 nan 8.180 nan 0.000 0.541 405 K N 0.767 120.677 120.400 -0.818 0.000 2.057 405 K HA -0.172 4.148 4.320 0.000 0.000 0.207 405 K C 1.578 178.020 176.600 -0.263 0.000 1.049 405 K CA 2.240 58.050 56.287 -0.796 0.000 0.931 405 K CB -0.280 31.646 32.500 -0.958 0.000 0.714 405 K HN -0.030 nan 8.250 nan 0.000 0.440 406 D N 0.107 120.402 120.400 -0.173 0.000 2.097 406 D HA -0.126 4.514 4.640 0.000 0.000 0.197 406 D C 1.920 178.231 176.300 0.019 0.000 0.984 406 D CA 1.077 55.041 54.000 -0.061 0.000 0.826 406 D CB -0.052 40.725 40.800 -0.038 0.000 0.973 406 D HN 0.011 nan 8.370 nan 0.000 0.460 407 R N 0.473 121.012 120.500 0.065 0.000 2.081 407 R HA -0.049 4.292 4.340 0.000 0.000 0.235 407 R C 2.011 178.419 176.300 0.180 0.000 1.131 407 R CA 1.504 57.683 56.100 0.132 0.000 0.960 407 R CB -0.397 30.006 30.300 0.171 0.000 0.856 407 R HN 0.157 nan 8.270 nan 0.000 0.436 408 A N -0.313 122.631 122.820 0.207 0.000 1.835 408 A HA -0.146 4.174 4.320 0.000 0.000 0.215 408 A C 2.240 179.953 177.584 0.216 0.000 1.199 408 A CA 1.647 53.845 52.037 0.268 0.000 0.615 408 A CB -1.259 17.942 19.000 0.334 0.000 0.838 408 A HN 0.239 nan 8.150 nan 0.000 0.444 409 V N 0.127 120.117 119.914 0.126 0.000 2.370 409 V HA -0.286 3.834 4.120 0.000 0.000 0.252 409 V C 2.587 178.733 176.094 0.087 0.000 1.068 409 V CA 3.083 65.438 62.300 0.091 0.000 1.061 409 V CB -0.970 30.860 31.823 0.012 0.000 0.656 409 V HN 0.686 nan 8.190 nan 0.000 0.455 410 T N -0.330 114.275 114.554 0.085 0.000 2.746 410 T HA -0.149 4.201 4.350 0.000 0.000 0.267 410 T C 1.770 176.524 174.700 0.090 0.000 1.039 410 T CA 1.587 63.734 62.100 0.077 0.000 1.142 410 T CB -0.271 68.647 68.868 0.082 0.000 0.866 410 T HN 0.541 nan 8.240 nan 0.000 0.444 411 E N 0.878 121.174 120.200 0.160 0.000 2.150 411 E HA 0.017 4.367 4.350 0.000 0.000 0.193 411 E C 2.194 178.880 176.600 0.143 0.000 0.985 411 E CA 0.626 57.151 56.400 0.208 0.000 0.814 411 E CB -0.361 29.547 29.700 0.346 0.000 0.752 411 E HN 0.545 nan 8.360 nan 0.000 0.466 412 I N 1.413 122.105 120.570 0.202 0.000 2.315 412 I HA -0.226 3.944 4.170 0.000 0.000 0.248 412 I C 2.070 178.231 176.117 0.074 0.000 1.117 412 I CA 0.674 62.107 61.300 0.221 0.000 1.404 412 I CB -0.286 37.900 38.000 0.310 0.000 1.071 412 I HN 0.028 nan 8.210 nan 0.000 0.419 413 N N 0.831 119.549 118.700 0.030 0.000 2.166 413 N HA -0.141 4.599 4.740 0.000 0.000 0.186 413 N C 2.041 177.505 175.510 -0.076 0.000 1.019 413 N CA 1.844 54.871 53.050 -0.038 0.000 0.856 413 N CB -0.231 38.229 38.487 -0.045 0.000 0.993 413 N HN 0.390 nan 8.380 nan 0.000 0.426 414 V N -0.900 118.946 119.914 -0.114 0.000 2.515 414 V HA 0.007 4.127 4.120 0.000 0.000 0.250 414 V C 2.302 178.224 176.094 -0.287 0.000 1.058 414 V CA 1.665 63.840 62.300 -0.208 0.000 1.064 414 V CB -1.042 30.597 31.823 -0.307 0.000 0.675 414 V HN 0.162 nan 8.190 nan 0.000 0.461 415 A N 0.602 123.194 122.820 -0.379 0.000 1.877 415 A HA -0.073 4.247 4.320 0.000 0.000 0.216 415 A C 2.403 179.925 177.584 -0.104 0.000 1.186 415 A CA 2.271 54.056 52.037 -0.420 0.000 0.620 415 A CB -0.978 17.477 19.000 -0.908 0.000 0.822 415 A HN 0.460 nan 8.150 nan 0.000 0.443 416 V N -0.256 119.646 119.914 -0.020 0.000 2.255 416 V HA -0.253 3.868 4.120 0.000 0.000 0.247 416 V C 2.528 178.644 176.094 0.037 0.000 1.051 416 V CA 2.032 64.371 62.300 0.066 0.000 1.018 416 V CB -0.818 30.969 31.823 -0.061 0.000 0.641 416 V HN 0.490 nan 8.190 nan 0.000 0.445 417 L N -0.354 120.836 121.223 -0.054 0.000 1.989 417 L HA -0.200 4.140 4.340 0.000 0.000 0.211 417 L C 2.494 179.378 176.870 0.024 0.000 1.071 417 L CA 2.319 57.130 54.840 -0.047 0.000 0.749 417 L CB -1.356 40.673 42.059 -0.051 0.000 0.890 417 L HN 0.538 nan 8.230 nan 0.000 0.431 418 H N -1.234 117.779 119.070 -0.095 0.000 2.267 418 H HA -0.152 4.404 4.556 0.000 0.000 0.297 418 H C 2.143 177.452 175.328 -0.031 0.000 1.080 418 H CA 1.835 57.819 56.048 -0.105 0.000 1.278 418 H CB 0.316 29.945 29.762 -0.220 0.000 1.365 418 H HN 0.288 nan 8.280 nan 0.000 0.489 419 S N 0.309 115.866 115.700 -0.238 0.000 2.365 419 S HA -0.177 4.293 4.470 0.000 0.000 0.225 419 S C 1.990 176.529 174.600 -0.103 0.000 1.039 419 S CA 1.664 59.736 58.200 -0.213 0.000 1.033 419 S CB -0.588 62.604 63.200 -0.013 0.000 0.887 419 S HN 0.325 nan 8.310 nan 0.000 0.447 420 F N 1.697 121.559 119.950 -0.146 0.000 2.171 420 F HA -0.109 4.418 4.527 0.000 0.000 0.300 420 F C 2.656 178.385 175.800 -0.120 0.000 1.090 420 F CA 1.177 59.116 58.000 -0.102 0.000 1.293 420 F CB -0.519 38.439 39.000 -0.070 0.000 1.013 420 F HN 0.222 nan 8.300 nan 0.000 0.486 421 Q N -0.262 119.569 119.800 0.052 0.000 2.119 421 Q HA -0.214 4.126 4.340 0.000 0.000 0.201 421 Q C 2.225 178.175 176.000 -0.083 0.000 0.972 421 Q CA 1.479 57.270 55.803 -0.020 0.000 0.847 421 Q CB -0.195 28.531 28.738 -0.020 0.000 0.903 421 Q HN 0.325 nan 8.270 nan 0.000 0.433 422 K N 0.762 121.051 120.400 -0.184 0.000 2.057 422 K HA -0.141 4.179 4.320 0.000 0.000 0.206 422 K C 1.220 177.737 176.600 -0.139 0.000 1.050 422 K CA 1.135 57.302 56.287 -0.200 0.000 0.935 422 K CB 0.210 32.482 32.500 -0.380 0.000 0.715 422 K HN 0.165 nan 8.250 nan 0.000 0.439 423 Q N 0.672 120.382 119.800 -0.150 0.000 2.228 423 Q HA 0.106 4.446 4.340 0.000 0.000 0.211 423 Q C -0.635 175.301 176.000 -0.107 0.000 0.890 423 Q CA -0.233 55.491 55.803 -0.132 0.000 0.953 423 Q CB 0.309 28.943 28.738 -0.173 0.000 1.053 423 Q HN 0.270 nan 8.270 nan 0.000 0.471 424 N N 0.184 118.836 118.700 -0.080 0.000 2.710 424 N HA -0.159 4.581 4.740 0.000 0.000 0.249 424 N C -1.228 174.253 175.510 -0.048 0.000 1.059 424 N CA 0.595 53.610 53.050 -0.058 0.000 0.720 424 N CB -0.894 37.560 38.487 -0.055 0.000 0.983 424 N HN 0.061 nan 8.380 nan 0.000 0.544 425 V N 0.878 120.774 119.914 -0.029 0.000 2.417 425 V HA 0.228 4.348 4.120 0.000 0.000 0.291 425 V C 0.912 177.099 176.094 0.155 0.000 1.024 425 V CA -0.640 61.676 62.300 0.027 0.000 0.861 425 V CB 1.999 33.767 31.823 -0.091 0.000 0.985 425 V HN 0.103 nan 8.190 nan 0.000 0.436 426 T N 6.183 120.779 114.554 0.070 0.000 2.946 426 T HA 0.417 4.767 4.350 0.000 0.000 0.312 426 T C -0.222 174.509 174.700 0.051 0.000 1.066 426 T CA 0.875 62.938 62.100 -0.062 0.000 1.138 426 T CB 0.080 68.800 68.868 -0.246 0.000 1.014 426 T HN 0.610 nan 8.240 nan 0.000 0.544 427 I N 2.167 122.666 120.570 -0.118 0.000 2.721 427 I HA 0.392 4.562 4.170 0.000 0.000 0.292 427 I C -1.796 174.265 176.117 -0.094 0.000 1.674 427 I CA -0.768 60.474 61.300 -0.097 0.000 0.993 427 I CB 1.664 39.483 38.000 -0.303 0.000 1.448 427 I HN 0.649 nan 8.210 nan 0.000 0.500 428 M N 6.824 126.440 119.600 0.027 0.000 2.395 428 M HA 0.395 4.875 4.480 0.000 0.000 0.307 428 M C -1.264 175.076 176.300 0.066 0.000 1.091 428 M CA -0.614 54.728 55.300 0.070 0.000 0.919 428 M CB 1.637 34.368 32.600 0.219 0.000 1.662 428 M HN 0.583 nan 8.290 nan 0.000 0.440 429 D N 3.403 123.843 120.400 0.067 0.000 2.357 429 D HA -0.003 4.638 4.640 0.000 0.000 0.242 429 D C 0.690 177.081 176.300 0.152 0.000 1.153 429 D CA -0.140 53.936 54.000 0.127 0.000 0.918 429 D CB 0.561 41.444 40.800 0.139 0.000 1.181 429 D HN 0.844 nan 8.370 nan 0.000 0.435 430 H N 0.770 119.798 119.070 -0.070 0.000 2.421 430 H HA -0.170 4.386 4.556 0.000 0.000 0.298 430 H C 1.420 176.658 175.328 -0.151 0.000 1.087 430 H CA 1.406 57.367 56.048 -0.144 0.000 1.330 430 H CB -0.870 28.747 29.762 -0.240 0.000 1.388 430 H HN 0.545 nan 8.280 nan 0.000 0.526 431 H N 0.852 119.709 119.070 -0.355 0.000 2.270 431 H HA -0.056 4.500 4.556 0.000 0.000 0.299 431 H C 2.059 177.347 175.328 -0.066 0.000 1.077 431 H CA 2.057 57.963 56.048 -0.237 0.000 1.294 431 H CB -0.438 29.162 29.762 -0.271 0.000 1.371 431 H HN 0.390 nan 8.280 nan 0.000 0.491 432 T N 1.257 115.870 114.554 0.098 0.000 2.759 432 T HA -0.139 4.211 4.350 0.000 0.000 0.269 432 T C 2.284 177.047 174.700 0.104 0.000 1.042 432 T CA 1.212 63.364 62.100 0.087 0.000 1.140 432 T CB -0.404 68.509 68.868 0.074 0.000 0.864 432 T HN 0.450 nan 8.240 nan 0.000 0.455 433 A N 1.210 124.094 122.820 0.107 0.000 1.898 433 A HA -0.068 4.252 4.320 0.000 0.000 0.216 433 A C 2.631 180.298 177.584 0.137 0.000 1.181 433 A CA 1.848 53.962 52.037 0.128 0.000 0.620 433 A CB -0.839 18.227 19.000 0.110 0.000 0.819 433 A HN 0.438 nan 8.150 nan 0.000 0.442 434 S N -0.096 115.664 115.700 0.100 0.000 2.348 434 S HA -0.180 4.290 4.470 0.000 0.000 0.221 434 S C 1.854 176.561 174.600 0.179 0.000 1.033 434 S CA 1.570 59.849 58.200 0.132 0.000 1.010 434 S CB -0.388 62.853 63.200 0.069 0.000 0.891 434 S HN 0.697 nan 8.310 nan 0.000 0.442 435 E N 1.182 121.460 120.200 0.129 0.000 2.118 435 E HA -0.147 4.203 4.350 0.000 0.000 0.195 435 E C 2.397 179.068 176.600 0.119 0.000 0.992 435 E CA 1.422 57.889 56.400 0.112 0.000 0.804 435 E CB -0.268 29.482 29.700 0.082 0.000 0.741 435 E HN 0.612 nan 8.360 nan 0.000 0.458 436 S N 0.620 116.405 115.700 0.141 0.000 2.402 436 S HA -0.168 4.302 4.470 0.000 0.000 0.229 436 S C 1.890 176.601 174.600 0.184 0.000 1.021 436 S CA 0.612 58.900 58.200 0.147 0.000 0.974 436 S CB -0.354 62.940 63.200 0.157 0.000 0.800 436 S HN 0.317 nan 8.310 nan 0.000 0.484 437 F N 2.098 122.097 119.950 0.083 0.000 2.206 437 F HA 0.167 4.694 4.527 0.000 0.000 0.298 437 F C 2.255 178.138 175.800 0.139 0.000 1.090 437 F CA 1.188 59.248 58.000 0.100 0.000 1.323 437 F CB -0.371 38.666 39.000 0.061 0.000 1.028 437 F HN 0.112 nan 8.300 nan 0.000 0.492 438 M N 0.259 119.854 119.600 -0.007 0.000 2.117 438 M HA -0.195 4.285 4.480 0.000 0.000 0.262 438 M C 2.230 178.467 176.300 -0.104 0.000 1.065 438 M CA 1.612 56.861 55.300 -0.086 0.000 1.114 438 M CB -1.104 31.526 32.600 0.049 0.000 1.361 438 M HN 0.108 nan 8.290 nan 0.000 0.408 439 K N -0.213 120.174 120.400 -0.023 0.000 2.057 439 K HA -0.212 4.108 4.320 0.000 0.000 0.207 439 K C 1.928 178.512 176.600 -0.028 0.000 1.049 439 K CA 1.901 58.185 56.287 -0.006 0.000 0.931 439 K CB -0.660 31.864 32.500 0.040 0.000 0.714 439 K HN 0.408 nan 8.250 nan 0.000 0.440 440 H N -0.424 118.565 119.070 -0.135 0.000 2.353 440 H HA -0.021 4.536 4.556 0.000 0.000 0.300 440 H C 1.996 177.185 175.328 -0.231 0.000 1.090 440 H CA 2.417 58.377 56.048 -0.147 0.000 1.327 440 H CB -0.109 29.577 29.762 -0.127 0.000 1.383 440 H HN 0.193 nan 8.280 nan 0.000 0.508 441 M N 0.120 119.442 119.600 -0.462 0.000 2.073 441 M HA -0.272 4.208 4.480 0.000 0.000 0.258 441 M C 2.332 178.552 176.300 -0.133 0.000 1.070 441 M CA 2.211 57.277 55.300 -0.390 0.000 1.103 441 M CB -0.127 32.248 32.600 -0.374 0.000 1.321 441 M HN 0.520 nan 8.290 nan 0.000 0.405 442 Q N -0.174 119.567 119.800 -0.097 0.000 2.061 442 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 442 Q C 1.657 177.630 176.000 -0.045 0.000 0.984 442 Q CA 1.605 57.393 55.803 -0.024 0.000 0.846 442 Q CB -0.426 28.291 28.738 -0.036 0.000 0.902 442 Q HN 0.551 nan 8.270 nan 0.000 0.421 443 N N 0.684 119.317 118.700 -0.111 0.000 2.149 443 N HA -0.179 4.561 4.740 0.000 0.000 0.188 443 N C 1.587 176.995 175.510 -0.170 0.000 1.019 443 N CA 1.207 54.193 53.050 -0.107 0.000 0.857 443 N CB -0.181 38.255 38.487 -0.085 0.000 0.997 443 N HN 0.231 nan 8.380 nan 0.000 0.426 444 E N -0.137 119.865 120.200 -0.330 0.000 2.107 444 E HA -0.038 4.312 4.350 0.000 0.000 0.191 444 E C 1.383 177.795 176.600 -0.315 0.000 0.982 444 E CA 0.856 57.006 56.400 -0.415 0.000 0.809 444 E CB -0.223 29.080 29.700 -0.661 0.000 0.756 444 E HN 0.433 nan 8.360 nan 0.000 0.459 445 Y N -0.153 120.046 120.300 -0.169 0.000 2.509 445 Y HA -0.015 4.536 4.550 0.000 0.000 0.293 445 Y C 2.196 178.051 175.900 -0.075 0.000 1.133 445 Y CA 0.915 58.955 58.100 -0.099 0.000 1.283 445 Y CB 0.221 38.633 38.460 -0.079 0.000 1.001 445 Y HN -0.043 nan 8.280 nan 0.000 0.555 446 R N -0.730 119.787 120.500 0.029 0.000 2.048 446 R HA 0.006 4.346 4.340 0.000 0.000 0.221 446 R C 2.565 178.853 176.300 -0.019 0.000 1.174 446 R CA 0.878 56.984 56.100 0.011 0.000 0.971 446 R CB -0.709 29.592 30.300 0.002 0.000 0.863 446 R HN 0.230 nan 8.270 nan 0.000 0.439 447 A N 2.041 124.834 122.820 -0.045 0.000 1.903 447 A HA -0.228 4.092 4.320 0.000 0.000 0.219 447 A C 1.786 179.333 177.584 -0.061 0.000 1.191 447 A CA 2.111 54.121 52.037 -0.045 0.000 0.638 447 A CB -0.351 18.621 19.000 -0.047 0.000 0.823 447 A HN 0.488 nan 8.150 nan 0.000 0.451 448 R N -2.404 118.031 120.500 -0.108 0.000 2.592 448 R HA 0.398 4.739 4.340 0.000 0.000 0.439 448 R C 0.600 176.827 176.300 -0.123 0.000 0.995 448 R CA 0.322 56.358 56.100 -0.107 0.000 1.141 448 R CB -0.881 29.342 30.300 -0.129 0.000 1.495 448 R HN 0.941 nan 8.270 nan 0.000 0.579 449 G N 0.405 109.143 108.800 -0.103 0.000 2.352 449 G HA2 0.044 4.004 3.960 0.000 0.000 0.283 449 G HA3 0.044 4.004 3.960 0.000 0.000 0.283 449 G C 0.251 175.021 174.900 -0.217 0.000 0.946 449 G CA 0.475 45.544 45.100 -0.051 0.000 1.317 449 G HN 0.973 nan 8.290 nan 0.000 0.478 450 G N -1.928 106.404 108.800 -0.781 0.000 2.343 450 G HA2 0.523 4.483 3.960 0.000 0.000 0.298 450 G HA3 0.523 4.483 3.960 0.000 0.000 0.298 450 G C -0.779 173.630 174.900 -0.817 0.000 1.644 450 G CA 0.167 44.739 45.100 -0.881 0.000 0.958 450 G HN 1.878 nan 8.290 nan 0.000 0.702 451 C N 3.504 122.454 119.300 -0.583 0.000 2.982 451 C HA 0.635 5.095 4.460 0.000 0.000 0.372 451 C C -2.438 172.405 174.990 -0.245 0.000 1.061 451 C CA -1.209 57.608 59.018 -0.336 0.000 1.309 451 C CB 1.192 28.758 27.740 -0.289 0.000 1.766 451 C HN 0.694 nan 8.230 nan 0.000 0.504 452 P HA 0.326 nan 4.420 nan 0.000 0.265 452 P C -0.608 176.552 177.300 -0.233 0.000 1.222 452 P CA 0.708 63.354 63.100 -0.757 0.000 0.767 452 P CB 0.786 32.035 31.700 -0.752 0.000 0.801 453 A N 3.059 125.814 122.820 -0.108 0.000 2.381 453 A HA 0.382 4.702 4.320 0.000 0.000 0.299 453 A C -0.756 176.871 177.584 0.073 0.000 1.049 453 A CA -0.559 51.513 52.037 0.059 0.000 0.715 453 A CB 1.141 20.293 19.000 0.253 0.000 1.222 453 A HN 0.414 nan 8.150 nan 0.000 0.428 454 D N 2.431 122.863 120.400 0.054 0.000 2.485 454 D HA 0.111 4.751 4.640 0.000 0.000 0.221 454 D C 0.935 177.368 176.300 0.220 0.000 1.112 454 D CA -0.557 53.516 54.000 0.122 0.000 0.911 454 D CB 0.145 40.967 40.800 0.037 0.000 1.019 454 D HN 0.620 nan 8.370 nan 0.000 0.516 455 W N 4.703 126.039 121.300 0.059 0.000 2.290 455 W HA -0.318 4.342 4.660 0.000 0.000 0.323 455 W C 1.757 178.317 176.519 0.070 0.000 1.260 455 W CA 1.635 59.008 57.345 0.047 0.000 1.266 455 W CB -0.187 29.277 29.460 0.008 0.000 1.149 455 W HN 0.451 nan 8.180 nan 0.000 0.482 456 I N -1.021 119.876 120.570 0.544 0.000 2.185 456 I HA -0.356 3.814 4.170 0.000 0.000 0.246 456 I C 1.942 178.136 176.117 0.129 0.000 1.088 456 I CA 1.949 63.486 61.300 0.394 0.000 1.347 456 I CB -0.884 37.376 38.000 0.434 0.000 1.041 456 I HN 0.150 nan 8.210 nan 0.000 0.415 457 W N 0.433 121.703 121.300 -0.051 0.000 2.576 457 W HA 0.097 4.757 4.660 0.000 0.000 0.275 457 W C 2.369 178.764 176.519 -0.206 0.000 1.241 457 W CA 0.316 57.594 57.345 -0.112 0.000 1.328 457 W CB -0.531 28.880 29.460 -0.081 0.000 1.092 457 W HN -0.026 nan 8.180 nan 0.000 0.586 458 L N -0.268 120.912 121.223 -0.071 0.000 2.056 458 L HA -0.073 4.267 4.340 0.000 0.000 0.207 458 L C 0.768 177.454 176.870 -0.307 0.000 1.078 458 L CA 0.436 55.122 54.840 -0.258 0.000 0.749 458 L CB -1.173 40.661 42.059 -0.374 0.000 0.901 458 L HN -0.402 nan 8.230 nan 0.000 0.433 459 V N 1.487 121.130 119.914 -0.453 0.000 2.485 459 V HA 0.054 4.174 4.120 0.000 0.000 0.287 459 V C -1.866 174.054 176.094 -0.290 0.000 1.022 459 V CA -1.170 60.857 62.300 -0.455 0.000 1.067 459 V CB 0.083 31.398 31.823 -0.847 0.000 0.967 459 V HN 0.048 nan 8.190 nan 0.000 0.479 460 P HA 0.047 nan 4.420 nan 0.000 0.265 460 P C -1.823 175.375 177.300 -0.170 0.000 1.187 460 P CA -0.843 62.166 63.100 -0.151 0.000 0.766 460 P CB 0.052 31.731 31.700 -0.035 0.000 0.820 461 P HA -0.003 nan 4.420 nan 0.000 0.251 461 P C -0.159 177.047 177.300 -0.156 0.000 1.251 461 P CA 0.944 63.931 63.100 -0.187 0.000 0.763 461 P CB 0.360 31.929 31.700 -0.218 0.000 1.067 462 V N -1.582 118.245 119.914 -0.144 0.000 3.098 462 V HA 0.215 4.335 4.120 0.000 0.000 0.294 462 V C -0.075 176.004 176.094 -0.025 0.000 1.351 462 V CA -0.418 61.821 62.300 -0.102 0.000 0.999 462 V CB 1.757 33.489 31.823 -0.153 0.000 1.104 462 V HN -0.040 nan 8.190 nan 0.000 0.438 463 S N 2.759 118.457 115.700 -0.003 0.000 3.641 463 S HA -0.186 4.284 4.470 0.000 0.000 0.346 463 S C 1.396 175.961 174.600 -0.057 0.000 1.074 463 S CA 1.377 59.586 58.200 0.016 0.000 1.026 463 S CB -1.276 62.000 63.200 0.126 0.000 0.908 463 S HN 1.837 nan 8.310 nan 0.000 0.479 464 G N 2.512 111.245 108.800 -0.112 0.000 2.777 464 G HA2 -0.351 3.609 3.960 0.000 0.000 0.217 464 G HA3 -0.351 3.609 3.960 0.000 0.000 0.217 464 G C 1.535 176.197 174.900 -0.397 0.000 1.295 464 G CA 1.812 46.803 45.100 -0.182 0.000 0.800 464 G HN 1.350 nan 8.290 nan 0.000 0.637 465 S N 0.273 115.436 115.700 -0.894 0.000 2.469 465 S HA -0.005 4.465 4.470 0.000 0.000 0.238 465 S C 2.085 176.652 174.600 -0.054 0.000 0.998 465 S CA 0.993 58.631 58.200 -0.936 0.000 0.957 465 S CB -0.163 62.463 63.200 -0.957 0.000 0.764 465 S HN 0.220 nan 8.310 nan 0.000 0.514 466 I N 1.985 122.517 120.570 -0.063 0.000 3.334 466 I HA 0.074 4.244 4.170 0.000 0.000 0.282 466 I C 0.628 176.810 176.117 0.108 0.000 1.313 466 I CA 0.559 61.888 61.300 0.048 0.000 1.396 466 I CB -2.029 36.018 38.000 0.079 0.000 1.054 466 I HN 0.275 nan 8.210 nan 0.000 0.495 467 T N 1.989 116.604 114.554 0.101 0.000 2.895 467 T HA 0.269 4.619 4.350 0.000 0.000 0.283 467 T C -1.533 173.329 174.700 0.270 0.000 1.014 467 T CA -1.064 61.112 62.100 0.127 0.000 1.037 467 T CB 2.535 71.422 68.868 0.031 0.000 1.006 467 T HN -0.120 nan 8.240 nan 0.000 0.468 468 P HA -0.115 nan 4.420 nan 0.000 0.214 468 P C 1.852 179.346 177.300 0.325 0.000 1.162 468 P CA 0.767 64.019 63.100 0.253 0.000 0.879 468 P CB -0.173 31.625 31.700 0.163 0.000 0.786 469 V N -2.817 117.249 119.914 0.253 0.000 2.688 469 V HA -0.258 3.862 4.120 0.000 0.000 0.256 469 V C 2.061 178.285 176.094 0.216 0.000 1.084 469 V CA 1.603 64.040 62.300 0.229 0.000 1.103 469 V CB -2.039 29.872 31.823 0.147 0.000 0.688 469 V HN -0.033 nan 8.190 nan 0.000 0.480 470 F N 1.800 121.795 119.950 0.075 0.000 2.216 470 F HA -0.099 4.428 4.527 0.000 0.000 0.300 470 F C 2.277 178.213 175.800 0.227 0.000 1.085 470 F CA 2.093 60.150 58.000 0.095 0.000 1.326 470 F CB -0.273 38.696 39.000 -0.052 0.000 1.027 470 F HN 0.336 nan 8.300 nan 0.000 0.497 471 H N -0.806 118.535 119.070 0.451 0.000 2.519 471 H HA 0.151 4.707 4.556 0.000 0.000 0.289 471 H C -0.015 175.428 175.328 0.192 0.000 1.040 471 H CA 0.003 56.227 56.048 0.294 0.000 1.165 471 H CB 0.002 29.936 29.762 0.285 0.000 1.462 471 H HN 0.235 nan 8.280 nan 0.000 0.555 472 Q N 1.817 121.804 119.800 0.311 0.000 2.341 472 Q HA 0.186 4.526 4.340 0.000 0.000 0.268 472 Q C -0.675 175.459 176.000 0.222 0.000 1.013 472 Q CA -0.509 55.433 55.803 0.231 0.000 0.798 472 Q CB 1.029 29.906 28.738 0.231 0.000 1.253 472 Q HN 0.226 nan 8.270 nan 0.000 0.457 473 E N 3.602 123.866 120.200 0.108 0.000 2.404 473 E HA 0.351 4.702 4.350 0.000 0.000 0.261 473 E C -0.239 176.437 176.600 0.127 0.000 1.074 473 E CA 0.232 56.669 56.400 0.062 0.000 0.917 473 E CB 0.659 30.360 29.700 0.002 0.000 0.965 473 E HN 0.698 nan 8.360 nan 0.000 0.433 474 M N 0.242 119.929 119.600 0.144 0.000 2.534 474 M HA 0.412 4.892 4.480 0.000 0.000 0.280 474 M C -1.973 174.434 176.300 0.179 0.000 1.217 474 M CA -1.150 54.271 55.300 0.202 0.000 0.893 474 M CB 1.073 33.842 32.600 0.280 0.000 1.730 474 M HN 0.148 nan 8.290 nan 0.000 0.483 475 L N 2.715 124.072 121.223 0.224 0.000 2.307 475 L HA 0.537 4.877 4.340 0.000 0.000 0.284 475 L C -0.591 176.364 176.870 0.142 0.000 1.023 475 L CA -0.067 54.923 54.840 0.250 0.000 0.810 475 L CB 1.394 43.706 42.059 0.421 0.000 1.231 475 L HN 0.832 nan 8.230 nan 0.000 0.423 476 N N 3.186 121.958 118.700 0.121 0.000 2.469 476 N HA 0.491 5.231 4.740 0.000 0.000 0.253 476 N C -1.596 173.957 175.510 0.073 0.000 0.970 476 N CA -0.291 52.754 53.050 -0.009 0.000 0.940 476 N CB 0.453 38.962 38.487 0.036 0.000 1.128 476 N HN 0.380 nan 8.380 nan 0.000 0.503 477 Y N 0.323 120.617 120.300 -0.010 0.000 2.504 477 Y HA 0.577 5.127 4.550 0.000 0.000 0.344 477 Y C -0.853 174.960 175.900 -0.144 0.000 1.023 477 Y CA -1.477 56.584 58.100 -0.066 0.000 1.020 477 Y CB 0.643 39.069 38.460 -0.056 0.000 1.282 477 Y HN -0.012 nan 8.280 nan 0.000 0.454 478 V N 5.143 124.986 119.914 -0.119 0.000 2.405 478 V HA 0.201 4.321 4.120 0.000 0.000 0.264 478 V C 0.355 176.238 176.094 -0.351 0.000 1.048 478 V CA -0.188 61.784 62.300 -0.546 0.000 0.966 478 V CB -0.123 31.262 31.823 -0.729 0.000 1.015 478 V HN 0.733 nan 8.190 nan 0.000 0.477 479 L N 3.255 124.325 121.223 -0.255 0.000 2.751 479 L HA 0.690 5.030 4.340 0.000 0.000 0.241 479 L C 0.398 177.204 176.870 -0.107 0.000 1.146 479 L CA -0.381 54.410 54.840 -0.081 0.000 0.879 479 L CB 1.456 43.529 42.059 0.023 0.000 1.687 479 L HN 0.602 nan 8.230 nan 0.000 0.527 480 S N -0.217 115.463 115.700 -0.032 0.000 2.533 480 S HA 0.507 4.977 4.470 0.000 0.000 0.271 480 S C -2.719 171.877 174.600 -0.006 0.000 1.143 480 S CA -1.138 57.049 58.200 -0.022 0.000 0.891 480 S CB 2.007 65.180 63.200 -0.045 0.000 1.105 480 S HN 0.262 nan 8.310 nan 0.000 0.468 481 P HA 0.319 nan 4.420 nan 0.000 0.271 481 P C -1.074 176.155 177.300 -0.119 0.000 1.233 481 P CA -0.144 62.870 63.100 -0.145 0.000 0.789 481 P CB 0.263 31.798 31.700 -0.275 0.000 0.951 482 F N 0.268 119.978 119.950 -0.399 0.000 2.645 482 F HA 0.429 4.956 4.527 0.000 0.000 0.310 482 F C -1.259 174.171 175.800 -0.616 0.000 1.102 482 F CA -0.924 56.744 58.000 -0.553 0.000 0.952 482 F CB 1.493 40.093 39.000 -0.667 0.000 1.326 482 F HN 0.114 nan 8.300 nan 0.000 0.456 483 Y N 3.990 123.679 120.300 -1.018 0.000 2.593 483 Y HA 0.405 4.955 4.550 0.000 0.000 0.331 483 Y C -0.963 174.494 175.900 -0.739 0.000 0.986 483 Y CA -0.909 56.790 58.100 -0.669 0.000 1.262 483 Y CB 0.043 38.095 38.460 -0.681 0.000 1.098 483 Y HN 0.351 nan 8.280 nan 0.000 0.506 484 Y N 0.886 121.154 120.300 -0.052 0.000 2.374 484 Y HA 0.343 4.893 4.550 0.000 0.000 0.322 484 Y C 0.086 175.951 175.900 -0.058 0.000 1.275 484 Y CA -0.813 57.278 58.100 -0.016 0.000 1.307 484 Y CB 0.742 39.284 38.460 0.137 0.000 1.282 484 Y HN 0.392 nan 8.280 nan 0.000 0.509 485 Y N 0.262 120.699 120.300 0.228 0.000 2.378 485 Y HA 0.400 4.950 4.550 0.000 0.000 0.351 485 Y C -0.275 175.683 175.900 0.097 0.000 1.351 485 Y CA -0.999 57.164 58.100 0.106 0.000 1.616 485 Y CB 0.577 39.072 38.460 0.058 0.000 1.622 485 Y HN 0.436 nan 8.280 nan 0.000 0.568 486 Q N -0.629 119.304 119.800 0.221 0.000 2.545 486 Q HA 0.426 4.766 4.340 0.000 0.000 0.273 486 Q C -1.701 174.279 176.000 -0.033 0.000 0.975 486 Q CA -0.822 55.027 55.803 0.077 0.000 0.876 486 Q CB 1.424 30.191 28.738 0.049 0.000 1.472 486 Q HN 0.522 nan 8.270 nan 0.000 0.389 487 I N 2.024 122.551 120.570 -0.072 0.000 2.821 487 I HA -0.093 4.077 4.170 0.000 0.000 0.294 487 I C 0.367 176.291 176.117 -0.323 0.000 1.210 487 I CA 0.514 61.721 61.300 -0.155 0.000 1.430 487 I CB 0.079 38.007 38.000 -0.120 0.000 1.356 487 I HN 0.602 nan 8.210 nan 0.000 0.563 488 E N 9.482 129.394 120.200 -0.480 0.000 2.603 488 E HA -0.074 4.276 4.350 0.000 0.000 0.242 488 E C -1.262 174.659 176.600 -1.132 0.000 1.083 488 E CA -0.975 54.824 56.400 -1.002 0.000 0.950 488 E CB 0.090 29.006 29.700 -1.307 0.000 0.952 488 E HN 0.476 nan 8.360 nan 0.000 0.498 489 P HA -0.241 nan 4.420 nan 0.000 0.217 489 P C 1.122 177.876 177.300 -0.910 0.000 1.158 489 P CA 1.784 64.314 63.100 -0.950 0.000 0.887 489 P CB -0.317 30.617 31.700 -1.276 0.000 0.792 490 W N 1.237 121.955 121.300 -0.971 0.000 2.336 490 W HA -0.113 4.547 4.660 0.000 0.000 0.277 490 W C 1.750 178.295 176.519 0.043 0.000 1.211 490 W CA 0.941 58.050 57.345 -0.394 0.000 1.187 490 W CB -1.596 27.828 29.460 -0.060 0.000 1.132 490 W HN 0.003 nan 8.180 nan 0.000 0.562 491 K N -0.030 120.306 120.400 -0.108 0.000 2.057 491 K HA -0.033 4.287 4.320 0.000 0.000 0.209 491 K C 1.178 177.826 176.600 0.079 0.000 1.028 491 K CA 1.373 57.686 56.287 0.044 0.000 0.950 491 K CB -1.076 31.375 32.500 -0.082 0.000 0.784 491 K HN -0.086 nan 8.250 nan 0.000 0.448 492 T N 1.897 116.439 114.554 -0.020 0.000 4.104 492 T HA 0.029 4.379 4.350 0.000 0.000 0.285 492 T C -1.480 173.283 174.700 0.104 0.000 1.346 492 T CA -0.075 62.043 62.100 0.030 0.000 1.158 492 T CB -0.904 67.951 68.868 -0.022 0.000 1.290 492 T HN 0.267 nan 8.240 nan 0.000 0.975 493 H N 3.429 122.543 119.070 0.074 0.000 3.083 493 H HA 0.420 4.976 4.556 0.000 0.000 0.339 493 H C -0.545 174.895 175.328 0.186 0.000 1.020 493 H CA -1.002 55.095 56.048 0.081 0.000 1.360 493 H CB 0.769 30.577 29.762 0.076 0.000 1.811 493 H HN 0.493 nan 8.280 nan 0.000 0.493 494 I N 2.168 122.552 120.570 -0.310 0.000 2.297 494 I HA 0.351 4.521 4.170 0.000 0.000 0.291 494 I C -0.554 175.412 176.117 -0.252 0.000 1.033 494 I CA -0.708 60.525 61.300 -0.111 0.000 1.253 494 I CB 0.284 38.257 38.000 -0.044 0.000 1.396 494 I HN 0.332 nan 8.210 nan 0.000 0.476 495 W N 0.000 121.207 121.300 -0.155 0.000 2.388 495 W HA 0.000 4.660 4.660 0.000 0.000 0.303 495 W CA 0.000 57.314 57.345 -0.052 0.000 1.226 495 W CB 0.000 29.511 29.460 0.084 0.000 1.126 495 W HN 0.000 nan 8.180 nan 0.000 0.535