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 1xky_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIDFGTIATA MVTPFDINGN IDFAKTTKLV NYLIDNGTTA IVVGGTTGES DATA SEQUENCE PTLTSEEKVA LYRHVVSVVD KRVPVIAGTG SNNTHASIDL TKKATEVGVD DATA SEQUENCE AVMLVAPYYN KPSQEGMYQH FKAIAESTPL PVMLYNVPGR SIVQISVDTV DATA SEQUENCE VRLSEIENIV AIKDAGGDVL TMTEIIEKTA DDFAVYSGDD GLTLPAMAVG DATA SEQUENCE AKGIVSVASH VIGNEMQEMI AAFQAGEFKK AQKLHQLLVR VTDSLFMAPS DATA SEQUENCE PTPVKTALQM VGLDVGSVRL PLLPLTEEER VTLQSVMQSI PR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.215 176.300 -0.142 0.000 1.140 1 M CA 0.000 55.250 55.300 -0.083 0.000 0.988 1 M CB 0.000 32.562 32.600 -0.064 0.000 1.302 2 I N 3.567 124.008 120.570 -0.215 0.000 2.692 2 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 2 I C -0.699 175.114 176.117 -0.506 0.000 1.159 2 I CA 0.556 61.638 61.300 -0.364 0.000 1.423 2 I CB 0.353 38.071 38.000 -0.471 0.000 1.380 2 I HN 0.759 nan 8.210 nan 0.000 0.580 3 D N 6.710 126.848 120.400 -0.437 0.000 2.462 3 D HA 0.205 4.845 4.640 -0.000 0.000 0.245 3 D C 0.051 176.193 176.300 -0.265 0.000 1.122 3 D CA -0.331 53.482 54.000 -0.312 0.000 0.864 3 D CB 0.635 41.354 40.800 -0.136 0.000 1.098 3 D HN 0.315 nan 8.370 nan 0.000 0.541 4 F N 2.208 122.169 119.950 0.019 0.000 2.748 4 F HA 0.286 4.813 4.527 -0.000 0.000 0.299 4 F C 2.001 177.826 175.800 0.042 0.000 1.154 4 F CA 0.494 58.479 58.000 -0.025 0.000 1.446 4 F CB -0.550 38.343 39.000 -0.178 0.000 1.112 4 F HN 0.569 nan 8.300 nan 0.000 0.584 5 G N 0.667 109.595 108.800 0.213 0.000 2.598 5 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 5 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 5 G C 0.980 176.023 174.900 0.239 0.000 1.302 5 G CA 0.363 45.558 45.100 0.159 0.000 0.903 5 G HN 0.360 nan 8.290 nan 0.000 0.575 6 T N -1.870 112.774 114.554 0.150 0.000 3.044 6 T HA 0.467 4.817 4.350 -0.000 0.000 0.255 6 T C 1.205 176.005 174.700 0.168 0.000 1.073 6 T CA 1.374 63.556 62.100 0.136 0.000 1.125 6 T CB 0.202 69.106 68.868 0.061 0.000 0.908 6 T HN 0.856 nan 8.240 nan 0.000 0.480 7 I N 1.866 122.508 120.570 0.120 0.000 2.521 7 I HA 0.544 4.714 4.170 -0.000 0.000 0.277 7 I C -0.403 175.720 176.117 0.010 0.000 1.054 7 I CA -1.178 60.161 61.300 0.065 0.000 1.117 7 I CB 1.460 39.473 38.000 0.021 0.000 1.217 7 I HN 0.158 nan 8.210 nan 0.000 0.469 8 A N 4.218 127.015 122.820 -0.038 0.000 2.320 8 A HA 0.654 4.974 4.320 -0.000 0.000 0.287 8 A C 0.136 177.639 177.584 -0.135 0.000 1.181 8 A CA -0.111 51.839 52.037 -0.145 0.000 0.831 8 A CB 0.345 19.142 19.000 -0.339 0.000 1.102 8 A HN 0.568 nan 8.150 nan 0.000 0.513 9 T N 2.574 117.046 114.554 -0.135 0.000 2.749 9 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 9 T C 0.521 175.153 174.700 -0.113 0.000 0.970 9 T CA 0.236 62.251 62.100 -0.142 0.000 0.980 9 T CB 1.192 69.925 68.868 -0.224 0.000 0.924 9 T HN 0.903 nan 8.240 nan 0.000 0.456 10 A N 5.338 128.130 122.820 -0.048 0.000 2.906 10 A HA 0.311 4.631 4.320 -0.000 0.000 0.289 10 A C 0.553 178.222 177.584 0.142 0.000 1.675 10 A CA -0.275 51.769 52.037 0.012 0.000 1.372 10 A CB -0.683 18.333 19.000 0.027 0.000 1.091 10 A HN 0.911 nan 8.150 nan 0.000 0.579 11 M N 3.763 123.412 119.600 0.082 0.000 2.238 11 M HA 0.257 4.737 4.480 -0.000 0.000 0.350 11 M C 0.444 176.830 176.300 0.143 0.000 1.321 11 M CA -0.207 55.194 55.300 0.167 0.000 1.097 11 M CB 0.562 33.196 32.600 0.056 0.000 1.713 11 M HN 0.605 nan 8.290 nan 0.000 0.455 12 V N 2.776 122.781 119.914 0.152 0.000 3.139 12 V HA 0.232 4.352 4.120 -0.000 0.000 0.307 12 V C 0.053 176.062 176.094 -0.142 0.000 1.095 12 V CA -0.326 61.917 62.300 -0.094 0.000 1.160 12 V CB 0.577 32.250 31.823 -0.250 0.000 1.003 12 V HN 0.854 nan 8.190 nan 0.000 0.489 13 T N 5.460 119.828 114.554 -0.311 0.000 2.781 13 T HA 0.429 4.779 4.350 -0.000 0.000 0.305 13 T C -2.552 171.689 174.700 -0.764 0.000 1.001 13 T CA -0.862 60.962 62.100 -0.460 0.000 0.950 13 T CB 0.968 69.551 68.868 -0.474 0.000 0.955 13 T HN 0.726 nan 8.240 nan 0.000 0.471 14 P HA 0.229 nan 4.420 nan 0.000 0.267 14 P C -0.819 176.238 177.300 -0.406 0.000 1.205 14 P CA 0.015 62.876 63.100 -0.398 0.000 0.765 14 P CB 0.188 31.764 31.700 -0.206 0.000 0.828 15 F N 1.492 121.378 119.950 -0.107 0.000 2.522 15 F HA 0.301 4.828 4.527 -0.000 0.000 0.324 15 F C 1.140 176.891 175.800 -0.083 0.000 1.077 15 F CA -1.014 56.922 58.000 -0.106 0.000 0.944 15 F CB 1.485 40.434 39.000 -0.086 0.000 1.175 15 F HN 0.286 nan 8.300 nan 0.000 0.468 16 D N 0.970 121.452 120.400 0.137 0.000 2.447 16 D HA 0.058 4.698 4.640 -0.000 0.000 0.265 16 D C 1.004 177.330 176.300 0.043 0.000 1.250 16 D CA -0.396 53.639 54.000 0.058 0.000 1.046 16 D CB 0.498 41.320 40.800 0.036 0.000 1.095 16 D HN 0.437 nan 8.370 nan 0.000 0.555 17 I N -0.310 120.271 120.570 0.019 0.000 2.530 17 I HA -0.198 3.972 4.170 -0.000 0.000 0.257 17 I C 0.894 177.004 176.117 -0.012 0.000 1.179 17 I CA 1.400 62.702 61.300 0.004 0.000 1.440 17 I CB -0.726 37.274 38.000 0.000 0.000 1.087 17 I HN 0.371 nan 8.210 nan 0.000 0.440 18 N N 0.079 118.767 118.700 -0.020 0.000 2.336 18 N HA 0.239 4.979 4.740 -0.000 0.000 0.189 18 N C 1.122 176.578 175.510 -0.091 0.000 1.113 18 N CA 0.620 53.644 53.050 -0.044 0.000 0.858 18 N CB 0.436 38.902 38.487 -0.034 0.000 0.970 18 N HN 0.406 nan 8.380 nan 0.000 0.471 19 G N 0.507 109.243 108.800 -0.106 0.000 2.159 19 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 19 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 19 G C -0.343 174.319 174.900 -0.397 0.000 0.977 19 G CA -0.229 44.704 45.100 -0.277 0.000 0.652 19 G HN 0.397 nan 8.290 nan 0.000 0.531 20 N N -0.326 118.285 118.700 -0.148 0.000 2.515 20 N HA 0.577 5.317 4.740 -0.000 0.000 0.279 20 N C 0.651 176.206 175.510 0.075 0.000 1.164 20 N CA -0.802 52.202 53.050 -0.076 0.000 0.982 20 N CB 1.065 39.542 38.487 -0.016 0.000 1.170 20 N HN 0.236 nan 8.380 nan 0.000 0.474 21 I N 0.815 121.424 120.570 0.065 0.000 2.826 21 I HA -0.141 4.029 4.170 -0.000 0.000 0.295 21 I C 0.300 176.250 176.117 -0.278 0.000 1.213 21 I CA 0.866 62.100 61.300 -0.109 0.000 1.436 21 I CB 0.103 37.809 38.000 -0.489 0.000 1.348 21 I HN 0.479 nan 8.210 nan 0.000 0.570 22 D N 6.579 126.822 120.400 -0.262 0.000 2.427 22 D HA 0.178 4.818 4.640 -0.000 0.000 0.226 22 D C 0.454 176.587 176.300 -0.279 0.000 1.076 22 D CA -0.265 53.634 54.000 -0.168 0.000 0.849 22 D CB 0.775 41.538 40.800 -0.062 0.000 1.052 22 D HN 0.290 nan 8.370 nan 0.000 0.515 23 F N 2.263 122.144 119.950 -0.114 0.000 2.234 23 F HA 0.009 4.536 4.527 -0.000 0.000 0.296 23 F C 2.506 178.268 175.800 -0.063 0.000 1.089 23 F CA 0.801 58.641 58.000 -0.267 0.000 1.343 23 F CB -0.150 38.578 39.000 -0.453 0.000 1.040 23 F HN 0.507 nan 8.300 nan 0.000 0.498 24 A N 0.315 123.224 122.820 0.148 0.000 1.902 24 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 24 A C 2.171 179.811 177.584 0.093 0.000 1.181 24 A CA 1.715 53.830 52.037 0.130 0.000 0.623 24 A CB -0.609 18.445 19.000 0.089 0.000 0.818 24 A HN 0.312 nan 8.150 nan 0.000 0.443 25 K N -0.906 119.517 120.400 0.040 0.000 2.148 25 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 25 K C 2.048 178.657 176.600 0.016 0.000 1.050 25 K CA 1.572 57.864 56.287 0.008 0.000 0.942 25 K CB -0.303 32.179 32.500 -0.031 0.000 0.724 25 K HN 0.498 nan 8.250 nan 0.000 0.446 26 T N 0.675 115.241 114.554 0.021 0.000 2.708 26 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 26 T C 1.915 176.701 174.700 0.143 0.000 1.037 26 T CA 1.755 63.892 62.100 0.062 0.000 1.146 26 T CB -0.387 68.518 68.868 0.063 0.000 0.865 26 T HN 0.244 nan 8.240 nan 0.000 0.435 27 T N 2.145 116.835 114.554 0.227 0.000 2.684 27 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 27 T C 2.023 176.785 174.700 0.103 0.000 1.036 27 T CA 1.228 63.428 62.100 0.167 0.000 1.148 27 T CB -0.218 68.772 68.868 0.203 0.000 0.863 27 T HN 0.428 nan 8.240 nan 0.000 0.436 28 K N 0.345 120.799 120.400 0.091 0.000 2.026 28 K HA -0.045 4.275 4.320 -0.000 0.000 0.208 28 K C 2.239 178.895 176.600 0.094 0.000 1.048 28 K CA 0.994 57.326 56.287 0.074 0.000 0.929 28 K CB -0.433 32.093 32.500 0.043 0.000 0.713 28 K HN 0.138 nan 8.250 nan 0.000 0.439 29 L N 1.207 122.475 121.223 0.075 0.000 2.012 29 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 29 L C 2.053 179.009 176.870 0.142 0.000 1.073 29 L CA 1.540 56.443 54.840 0.104 0.000 0.748 29 L CB -0.471 41.625 42.059 0.062 0.000 0.891 29 L HN -0.086 nan 8.230 nan 0.000 0.431 30 V N 0.516 120.486 119.914 0.093 0.000 2.287 30 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 30 V C 2.451 178.577 176.094 0.054 0.000 1.053 30 V CA 2.125 64.461 62.300 0.060 0.000 1.027 30 V CB -0.946 30.902 31.823 0.041 0.000 0.646 30 V HN 0.548 nan 8.190 nan 0.000 0.447 31 N N -0.867 117.875 118.700 0.069 0.000 2.166 31 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 31 N C 1.771 177.319 175.510 0.065 0.000 1.019 31 N CA 1.772 54.855 53.050 0.054 0.000 0.856 31 N CB -0.455 38.066 38.487 0.057 0.000 0.993 31 N HN 0.678 nan 8.380 nan 0.000 0.426 32 Y N 2.021 122.319 120.300 -0.004 0.000 2.097 32 Y HA -0.145 4.405 4.550 -0.000 0.000 0.282 32 Y C 2.266 178.155 175.900 -0.019 0.000 1.152 32 Y CA 1.471 59.567 58.100 -0.006 0.000 1.136 32 Y CB -0.570 37.891 38.460 0.001 0.000 0.975 32 Y HN -0.056 nan 8.280 nan 0.000 0.498 33 L N -0.143 121.043 121.223 -0.062 0.000 2.012 33 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 33 L C 2.527 179.286 176.870 -0.185 0.000 1.073 33 L CA 1.791 56.525 54.840 -0.176 0.000 0.748 33 L CB -0.702 41.313 42.059 -0.074 0.000 0.891 33 L HN 0.302 nan 8.230 nan 0.000 0.431 34 I N -0.011 120.496 120.570 -0.106 0.000 2.335 34 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 34 I C 1.808 177.861 176.117 -0.106 0.000 1.129 34 I CA 1.472 62.721 61.300 -0.084 0.000 1.402 34 I CB -0.313 37.660 38.000 -0.045 0.000 1.069 34 I HN 0.296 nan 8.210 nan 0.000 0.424 35 D N 0.336 120.650 120.400 -0.143 0.000 2.340 35 D HA -0.044 4.596 4.640 -0.000 0.000 0.220 35 D C 0.754 176.931 176.300 -0.205 0.000 1.039 35 D CA 0.566 54.481 54.000 -0.142 0.000 0.866 35 D CB 0.082 40.818 40.800 -0.107 0.000 0.913 35 D HN 0.166 nan 8.370 nan 0.000 0.523 36 N N -0.643 117.885 118.700 -0.287 0.000 2.517 36 N HA 0.241 4.981 4.740 -0.000 0.000 0.285 36 N C 0.425 175.820 175.510 -0.192 0.000 1.528 36 N CA 0.402 53.271 53.050 -0.303 0.000 0.892 36 N CB 1.467 39.595 38.487 -0.598 0.000 1.356 36 N HN 0.192 nan 8.380 nan 0.000 0.495 37 G N 0.379 109.101 108.800 -0.129 0.000 2.176 37 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 37 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 37 G C 0.240 175.101 174.900 -0.065 0.000 0.986 37 G CA -0.046 45.007 45.100 -0.078 0.000 0.643 37 G HN 0.289 nan 8.290 nan 0.000 0.522 38 T N 1.671 116.171 114.554 -0.090 0.000 2.814 38 T HA 0.457 4.807 4.350 -0.000 0.000 0.297 38 T C 1.582 176.256 174.700 -0.044 0.000 0.956 38 T CA 0.931 62.986 62.100 -0.074 0.000 1.123 38 T CB 1.261 70.066 68.868 -0.104 0.000 0.902 38 T HN 0.705 nan 8.240 nan 0.000 0.528 39 T N -0.458 114.086 114.554 -0.016 0.000 3.023 39 T HA 0.616 4.966 4.350 -0.000 0.000 0.253 39 T C 0.348 175.067 174.700 0.031 0.000 1.038 39 T CA -0.093 62.014 62.100 0.012 0.000 0.962 39 T CB 0.385 69.277 68.868 0.041 0.000 1.018 39 T HN 0.726 nan 8.240 nan 0.000 0.521 40 A N 0.616 123.439 122.820 0.004 0.000 2.594 40 A HA 0.707 5.027 4.320 -0.000 0.000 0.296 40 A C -1.726 175.816 177.584 -0.069 0.000 1.061 40 A CA -0.933 51.106 52.037 0.004 0.000 0.689 40 A CB 0.961 20.001 19.000 0.067 0.000 1.280 40 A HN 0.366 nan 8.150 nan 0.000 0.406 41 I N 1.630 122.158 120.570 -0.071 0.000 2.406 41 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 41 I C -0.636 175.412 176.117 -0.115 0.000 0.999 41 I CA -0.993 60.255 61.300 -0.086 0.000 1.124 41 I CB 2.046 40.018 38.000 -0.046 0.000 1.289 41 I HN 0.364 nan 8.210 nan 0.000 0.441 42 V N 7.353 127.187 119.914 -0.133 0.000 2.385 42 V HA 0.270 4.390 4.120 -0.000 0.000 0.269 42 V C 0.128 176.196 176.094 -0.043 0.000 1.043 42 V CA -0.566 61.655 62.300 -0.131 0.000 0.906 42 V CB 1.241 32.959 31.823 -0.174 0.000 0.995 42 V HN 0.377 nan 8.190 nan 0.000 0.467 43 V N 3.776 123.684 119.914 -0.009 0.000 2.427 43 V HA 0.730 4.850 4.120 -0.000 0.000 0.286 43 V C 1.097 177.303 176.094 0.186 0.000 1.034 43 V CA 0.289 62.646 62.300 0.095 0.000 0.893 43 V CB 0.979 32.901 31.823 0.165 0.000 0.982 43 V HN 1.154 nan 8.190 nan 0.000 0.452 44 G N 3.394 112.301 108.800 0.180 0.000 2.221 44 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.265 44 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.265 44 G C 0.475 175.479 174.900 0.173 0.000 1.041 44 G CA 0.181 45.404 45.100 0.206 0.000 0.807 44 G HN 1.324 nan 8.290 nan 0.000 0.502 45 G N -1.338 107.532 108.800 0.117 0.000 2.510 45 G HA2 0.555 4.515 3.960 -0.000 0.000 0.280 45 G HA3 0.555 4.515 3.960 -0.000 0.000 0.280 45 G C 1.256 176.225 174.900 0.116 0.000 1.386 45 G CA 0.859 46.031 45.100 0.120 0.000 1.047 45 G HN 0.565 nan 8.290 nan 0.000 0.527 46 T N 0.045 114.688 114.554 0.147 0.000 2.665 46 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 46 T C 2.428 177.176 174.700 0.080 0.000 1.035 46 T CA 2.143 64.312 62.100 0.116 0.000 1.151 46 T CB -0.549 68.420 68.868 0.169 0.000 0.862 46 T HN 0.417 nan 8.240 nan 0.000 0.438 47 T N 0.959 115.563 114.554 0.083 0.000 2.995 47 T HA 0.084 4.434 4.350 -0.000 0.000 0.269 47 T C 2.029 176.727 174.700 -0.003 0.000 1.091 47 T CA 1.001 63.125 62.100 0.040 0.000 1.128 47 T CB -0.422 68.484 68.868 0.063 0.000 0.891 47 T HN 0.552 nan 8.240 nan 0.000 0.492 48 G N 0.647 109.459 108.800 0.020 0.000 3.181 48 G HA2 0.165 4.125 3.960 -0.000 0.000 0.219 48 G HA3 0.165 4.125 3.960 -0.000 0.000 0.219 48 G C 0.074 174.978 174.900 0.008 0.000 1.182 48 G CA -0.295 44.799 45.100 -0.010 0.000 0.791 48 G HN 0.554 nan 8.290 nan 0.000 0.537 49 E N -0.123 120.098 120.200 0.035 0.000 2.340 49 E HA -0.269 4.081 4.350 -0.000 0.000 0.240 49 E C 1.820 178.471 176.600 0.085 0.000 1.154 49 E CA 0.214 56.657 56.400 0.073 0.000 0.717 49 E CB -1.570 28.217 29.700 0.145 0.000 1.250 49 E HN 0.628 nan 8.360 nan 0.000 0.386 50 S N -1.084 114.661 115.700 0.075 0.000 2.374 50 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 50 S C -0.659 173.976 174.600 0.058 0.000 1.037 50 S CA 1.310 59.560 58.200 0.083 0.000 1.024 50 S CB -0.771 62.496 63.200 0.111 0.000 0.861 50 S HN 0.202 nan 8.310 nan 0.000 0.456 51 P HA -0.028 nan 4.420 nan 0.000 0.218 51 P C 1.476 178.779 177.300 0.005 0.000 1.148 51 P CA 1.785 64.881 63.100 -0.006 0.000 0.822 51 P CB -0.410 31.253 31.700 -0.061 0.000 0.784 52 T N -4.948 109.617 114.554 0.018 0.000 3.069 52 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 52 T C 0.533 175.236 174.700 0.004 0.000 1.053 52 T CA -0.147 61.954 62.100 0.001 0.000 0.964 52 T CB -0.541 68.321 68.868 -0.010 0.000 1.005 52 T HN -0.080 nan 8.240 nan 0.000 0.532 53 L N 3.512 124.758 121.223 0.039 0.000 2.349 53 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 53 L C 1.076 177.951 176.870 0.009 0.000 1.115 53 L CA -0.879 53.980 54.840 0.032 0.000 0.820 53 L CB 0.990 43.080 42.059 0.052 0.000 1.135 53 L HN 0.283 nan 8.230 nan 0.000 0.445 54 T N -1.209 113.341 114.554 -0.007 0.000 2.802 54 T HA -0.011 4.339 4.350 -0.000 0.000 0.305 54 T C 1.259 175.953 174.700 -0.010 0.000 1.053 54 T CA -0.194 61.903 62.100 -0.005 0.000 1.058 54 T CB 1.342 70.204 68.868 -0.009 0.000 0.988 54 T HN 0.608 nan 8.240 nan 0.000 0.539 55 S N 0.495 116.196 115.700 0.001 0.000 2.374 55 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 55 S C 1.831 176.410 174.600 -0.034 0.000 1.037 55 S CA 1.854 60.052 58.200 -0.004 0.000 1.024 55 S CB -0.698 62.514 63.200 0.020 0.000 0.861 55 S HN 0.824 nan 8.310 nan 0.000 0.456 56 E N 0.963 121.152 120.200 -0.019 0.000 2.106 56 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 56 E C 2.114 178.695 176.600 -0.031 0.000 0.984 56 E CA 1.246 57.636 56.400 -0.017 0.000 0.806 56 E CB -0.210 29.490 29.700 0.001 0.000 0.750 56 E HN 0.628 nan 8.360 nan 0.000 0.458 57 E N 0.552 120.735 120.200 -0.029 0.000 2.106 57 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 57 E C 1.848 178.382 176.600 -0.109 0.000 0.984 57 E CA 0.905 57.292 56.400 -0.022 0.000 0.806 57 E CB 0.007 29.706 29.700 -0.001 0.000 0.750 57 E HN 0.155 nan 8.360 nan 0.000 0.458 58 K N 0.321 120.603 120.400 -0.198 0.000 2.009 58 K HA -0.148 4.171 4.320 -0.000 0.000 0.210 58 K C 2.174 178.208 176.600 -0.943 0.000 1.049 58 K CA 1.419 57.410 56.287 -0.495 0.000 0.929 58 K CB -0.172 32.094 32.500 -0.389 0.000 0.714 58 K HN -0.009 nan 8.250 nan 0.000 0.440 59 V N 1.310 120.896 119.914 -0.547 0.000 2.358 59 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 59 V C 2.346 178.373 176.094 -0.113 0.000 1.047 59 V CA 1.966 64.069 62.300 -0.328 0.000 1.035 59 V CB -0.705 31.084 31.823 -0.058 0.000 0.658 59 V HN 0.372 nan 8.190 nan 0.000 0.452 60 A N -0.182 122.612 122.820 -0.044 0.000 1.902 60 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 60 A C 2.175 179.882 177.584 0.204 0.000 1.181 60 A CA 2.076 54.176 52.037 0.106 0.000 0.623 60 A CB -0.581 18.518 19.000 0.166 0.000 0.818 60 A HN 0.436 nan 8.150 nan 0.000 0.443 61 L N -1.180 120.095 121.223 0.087 0.000 2.017 61 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 61 L C 2.408 179.421 176.870 0.239 0.000 1.073 61 L CA 1.909 56.826 54.840 0.129 0.000 0.745 61 L CB -0.820 41.241 42.059 0.002 0.000 0.894 61 L HN 0.497 nan 8.230 nan 0.000 0.432 62 Y N -0.041 120.331 120.300 0.120 0.000 2.081 62 Y HA -0.255 4.295 4.550 -0.000 0.000 0.280 62 Y C 2.818 178.780 175.900 0.102 0.000 1.163 62 Y CA 1.375 59.530 58.100 0.091 0.000 1.135 62 Y CB -1.221 37.280 38.460 0.068 0.000 0.970 62 Y HN 0.177 nan 8.280 nan 0.000 0.498 63 R N -0.890 119.775 120.500 0.274 0.000 2.094 63 R HA -0.257 4.083 4.340 -0.000 0.000 0.239 63 R C 2.177 178.594 176.300 0.195 0.000 1.137 63 R CA 2.073 58.289 56.100 0.193 0.000 0.943 63 R CB -0.724 29.668 30.300 0.153 0.000 0.850 63 R HN 0.433 nan 8.270 nan 0.000 0.433 64 H N 0.021 119.193 119.070 0.169 0.000 2.353 64 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 64 H C 1.883 177.298 175.328 0.146 0.000 1.090 64 H CA 1.742 57.898 56.048 0.181 0.000 1.327 64 H CB -0.038 29.937 29.762 0.355 0.000 1.383 64 H HN -0.049 nan 8.280 nan 0.000 0.508 65 V N -0.549 119.461 119.914 0.161 0.000 2.358 65 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 65 V C 2.569 178.670 176.094 0.012 0.000 1.047 65 V CA 1.443 63.783 62.300 0.066 0.000 1.035 65 V CB -0.591 31.304 31.823 0.121 0.000 0.658 65 V HN 0.311 nan 8.190 nan 0.000 0.452 66 V N 1.196 121.139 119.914 0.048 0.000 2.282 66 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 66 V C 2.769 178.857 176.094 -0.011 0.000 1.057 66 V CA 2.594 64.909 62.300 0.025 0.000 1.032 66 V CB -0.950 30.902 31.823 0.048 0.000 0.645 66 V HN 0.790 nan 8.190 nan 0.000 0.447 67 S N -0.474 115.208 115.700 -0.031 0.000 2.368 67 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 67 S C 1.922 176.466 174.600 -0.093 0.000 1.030 67 S CA 1.689 59.855 58.200 -0.057 0.000 0.999 67 S CB -0.556 62.609 63.200 -0.058 0.000 0.844 67 S HN 0.317 nan 8.310 nan 0.000 0.459 68 V N 1.640 121.456 119.914 -0.164 0.000 2.323 68 V HA -0.088 4.032 4.120 -0.000 0.000 0.244 68 V C 2.706 178.763 176.094 -0.062 0.000 1.041 68 V CA 1.501 63.719 62.300 -0.137 0.000 1.025 68 V CB -0.777 30.934 31.823 -0.186 0.000 0.656 68 V HN 0.449 nan 8.190 nan 0.000 0.451 69 V N -0.126 119.760 119.914 -0.046 0.000 2.392 69 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 69 V C 1.479 177.562 176.094 -0.019 0.000 1.059 69 V CA 1.866 64.153 62.300 -0.023 0.000 1.051 69 V CB -0.804 31.012 31.823 -0.012 0.000 0.658 69 V HN 0.861 nan 8.190 nan 0.000 0.455 70 D N -0.211 120.177 120.400 -0.020 0.000 2.699 70 D HA -0.241 4.399 4.640 -0.000 0.000 0.239 70 D C 0.711 177.005 176.300 -0.010 0.000 1.136 70 D CA 0.840 54.830 54.000 -0.015 0.000 0.668 70 D CB -0.901 39.889 40.800 -0.017 0.000 1.060 70 D HN 0.497 nan 8.370 nan 0.000 0.429 71 K N -1.899 118.497 120.400 -0.007 0.000 3.274 71 K HA -0.274 4.046 4.320 -0.000 0.000 0.300 71 K C 1.436 178.031 176.600 -0.007 0.000 1.230 71 K CA 1.397 57.680 56.287 -0.006 0.000 0.884 71 K CB -1.435 31.061 32.500 -0.007 0.000 1.242 71 K HN 0.578 nan 8.250 nan 0.000 0.467 72 R N 0.420 120.915 120.500 -0.008 0.000 2.090 72 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 72 R C 1.321 177.617 176.300 -0.007 0.000 1.110 72 R CA 1.607 57.701 56.100 -0.010 0.000 0.973 72 R CB 0.132 30.425 30.300 -0.012 0.000 0.869 72 R HN 0.240 nan 8.270 nan 0.000 0.440 73 V N -2.562 117.351 119.914 -0.002 0.000 3.078 73 V HA 0.520 4.640 4.120 -0.000 0.000 0.311 73 V C -2.859 173.248 176.094 0.023 0.000 1.138 73 V CA -3.296 59.009 62.300 0.008 0.000 1.007 73 V CB 2.185 34.010 31.823 0.004 0.000 1.045 73 V HN -0.153 nan 8.190 nan 0.000 0.432 74 P HA 0.291 nan 4.420 nan 0.000 0.268 74 P C -0.745 176.592 177.300 0.062 0.000 1.205 74 P CA 0.039 63.195 63.100 0.094 0.000 0.771 74 P CB 0.750 32.591 31.700 0.236 0.000 0.858 75 V N 5.221 125.156 119.914 0.035 0.000 2.357 75 V HA 0.335 4.455 4.120 -0.000 0.000 0.284 75 V C 0.284 176.347 176.094 -0.051 0.000 1.018 75 V CA -0.340 61.952 62.300 -0.013 0.000 0.841 75 V CB 0.855 32.672 31.823 -0.009 0.000 0.991 75 V HN 0.376 nan 8.190 nan 0.000 0.437 76 I N 4.428 124.926 120.570 -0.120 0.000 2.339 76 I HA 0.659 4.829 4.170 -0.000 0.000 0.290 76 I C 0.480 176.468 176.117 -0.214 0.000 0.994 76 I CA -0.437 60.747 61.300 -0.192 0.000 1.191 76 I CB 1.681 39.478 38.000 -0.338 0.000 1.343 76 I HN 0.632 nan 8.210 nan 0.000 0.458 77 A N 4.416 127.063 122.820 -0.288 0.000 2.290 77 A HA 0.621 4.941 4.320 -0.000 0.000 0.310 77 A C 0.659 178.103 177.584 -0.234 0.000 1.202 77 A CA -0.502 51.251 52.037 -0.473 0.000 0.837 77 A CB 0.673 19.062 19.000 -1.018 0.000 1.139 77 A HN 0.897 nan 8.150 nan 0.000 0.509 78 G N 1.721 110.485 108.800 -0.060 0.000 2.916 78 G HA2 0.334 4.294 3.960 -0.000 0.000 0.280 78 G HA3 0.334 4.294 3.960 -0.000 0.000 0.280 78 G C 0.835 175.830 174.900 0.159 0.000 0.758 78 G CA 0.566 45.715 45.100 0.081 0.000 1.993 78 G HN 0.992 nan 8.290 nan 0.000 0.564 79 T N -0.862 113.755 114.554 0.105 0.000 3.065 79 T HA 0.220 4.570 4.350 -0.000 0.000 0.252 79 T C 1.294 176.086 174.700 0.154 0.000 1.099 79 T CA 0.280 62.468 62.100 0.147 0.000 1.063 79 T CB 0.627 69.539 68.868 0.075 0.000 0.948 79 T HN 0.351 nan 8.240 nan 0.000 0.506 80 G N 1.421 110.327 108.800 0.176 0.000 2.390 80 G HA2 0.507 4.467 3.960 -0.000 0.000 0.270 80 G HA3 0.507 4.467 3.960 -0.000 0.000 0.270 80 G C -0.138 174.903 174.900 0.236 0.000 1.211 80 G CA -0.094 45.130 45.100 0.206 0.000 0.842 80 G HN 0.599 nan 8.290 nan 0.000 0.519 81 S N -0.211 115.605 115.700 0.195 0.000 2.921 81 S HA 0.319 4.789 4.470 -0.000 0.000 0.315 81 S C 0.853 175.382 174.600 -0.119 0.000 1.087 81 S CA -0.379 57.907 58.200 0.144 0.000 0.877 81 S CB 1.079 64.382 63.200 0.173 0.000 1.340 81 S HN 0.725 nan 8.310 nan 0.000 0.622 82 N N 0.019 118.442 118.700 -0.460 0.000 2.370 82 N HA 0.063 4.803 4.740 -0.000 0.000 0.198 82 N C -0.203 175.184 175.510 -0.204 0.000 1.156 82 N CA -0.278 52.457 53.050 -0.526 0.000 0.839 82 N CB -0.159 37.844 38.487 -0.807 0.000 0.989 82 N HN 0.430 nan 8.380 nan 0.000 0.468 83 N N 0.537 119.220 118.700 -0.029 0.000 2.491 83 N HA 0.153 4.893 4.740 -0.000 0.000 0.274 83 N C 0.178 175.762 175.510 0.122 0.000 1.023 83 N CA -0.356 52.724 53.050 0.050 0.000 0.902 83 N CB 1.826 40.350 38.487 0.061 0.000 1.267 83 N HN -0.085 nan 8.380 nan 0.000 0.503 84 T N 1.611 116.252 114.554 0.145 0.000 2.737 84 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 84 T C 1.364 176.080 174.700 0.027 0.000 1.038 84 T CA 1.531 63.672 62.100 0.069 0.000 1.144 84 T CB -0.463 68.452 68.868 0.078 0.000 0.866 84 T HN 0.724 nan 8.240 nan 0.000 0.434 85 H N 1.446 120.513 119.070 -0.005 0.000 2.319 85 H HA 0.040 4.596 4.556 -0.000 0.000 0.299 85 H C 2.266 177.598 175.328 0.006 0.000 1.092 85 H CA 1.693 57.738 56.048 -0.004 0.000 1.302 85 H CB -0.443 29.322 29.762 0.004 0.000 1.373 85 H HN 0.309 nan 8.280 nan 0.000 0.497 86 A N -0.393 122.503 122.820 0.127 0.000 1.933 86 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 86 A C 2.561 180.159 177.584 0.024 0.000 1.175 86 A CA 1.830 53.913 52.037 0.077 0.000 0.628 86 A CB -0.790 18.277 19.000 0.112 0.000 0.814 86 A HN 0.522 nan 8.150 nan 0.000 0.444 87 S N -0.192 115.520 115.700 0.020 0.000 2.368 87 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 87 S C 1.794 176.370 174.600 -0.040 0.000 1.030 87 S CA 1.395 59.598 58.200 0.006 0.000 0.999 87 S CB -0.472 62.712 63.200 -0.026 0.000 0.844 87 S HN 0.550 nan 8.310 nan 0.000 0.459 88 I N 1.590 122.102 120.570 -0.096 0.000 2.179 88 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 88 I C 2.424 178.483 176.117 -0.097 0.000 1.088 88 I CA 1.653 62.886 61.300 -0.113 0.000 1.357 88 I CB -0.450 37.454 38.000 -0.160 0.000 1.051 88 I HN 0.274 nan 8.210 nan 0.000 0.409 89 D N 0.876 121.195 120.400 -0.134 0.000 2.106 89 D HA -0.255 4.385 4.640 -0.000 0.000 0.191 89 D C 2.046 178.344 176.300 -0.004 0.000 0.997 89 D CA 1.417 55.368 54.000 -0.083 0.000 0.834 89 D CB -0.010 40.740 40.800 -0.083 0.000 0.956 89 D HN 0.126 nan 8.370 nan 0.000 0.448 90 L N 0.132 121.373 121.223 0.030 0.000 2.093 90 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 90 L C 2.266 179.198 176.870 0.102 0.000 1.085 90 L CA 1.765 56.663 54.840 0.095 0.000 0.755 90 L CB -1.006 41.131 42.059 0.131 0.000 0.904 90 L HN 0.070 nan 8.230 nan 0.000 0.435 91 T N -0.365 114.219 114.554 0.049 0.000 2.720 91 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 91 T C 1.887 176.598 174.700 0.017 0.000 1.037 91 T CA 1.657 63.770 62.100 0.022 0.000 1.144 91 T CB -0.117 68.750 68.868 -0.001 0.000 0.864 91 T HN 0.354 nan 8.240 nan 0.000 0.444 92 K N 0.898 121.305 120.400 0.011 0.000 2.057 92 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 92 K C 2.439 179.060 176.600 0.035 0.000 1.050 92 K CA 1.089 57.383 56.287 0.011 0.000 0.935 92 K CB -0.094 32.403 32.500 -0.005 0.000 0.715 92 K HN 0.286 nan 8.250 nan 0.000 0.439 93 K N 0.609 121.043 120.400 0.057 0.000 2.057 93 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 93 K C 2.231 178.907 176.600 0.127 0.000 1.049 93 K CA 1.334 57.674 56.287 0.089 0.000 0.931 93 K CB -0.172 32.390 32.500 0.104 0.000 0.714 93 K HN 0.119 nan 8.250 nan 0.000 0.440 94 A N 0.953 123.862 122.820 0.147 0.000 1.933 94 A HA -0.157 4.162 4.320 -0.000 0.000 0.218 94 A C 2.209 179.812 177.584 0.031 0.000 1.175 94 A CA 2.011 54.110 52.037 0.104 0.000 0.628 94 A CB -0.956 17.984 19.000 -0.100 0.000 0.814 94 A HN 0.261 nan 8.150 nan 0.000 0.444 95 T N 0.122 114.687 114.554 0.020 0.000 2.684 95 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 95 T C 1.768 176.483 174.700 0.025 0.000 1.036 95 T CA 1.548 63.655 62.100 0.012 0.000 1.148 95 T CB -0.247 68.626 68.868 0.008 0.000 0.863 95 T HN 0.463 nan 8.240 nan 0.000 0.436 96 E N 1.021 121.244 120.200 0.037 0.000 2.204 96 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 96 E C 2.504 179.133 176.600 0.048 0.000 0.989 96 E CA 0.803 57.225 56.400 0.038 0.000 0.824 96 E CB -0.569 29.154 29.700 0.039 0.000 0.756 96 E HN 0.576 nan 8.360 nan 0.000 0.477 97 V N -2.160 117.796 119.914 0.070 0.000 3.217 97 V HA 0.238 4.358 4.120 -0.000 0.000 0.264 97 V C 1.302 177.431 176.094 0.060 0.000 1.135 97 V CA 1.204 63.553 62.300 0.081 0.000 1.142 97 V CB -0.367 31.539 31.823 0.139 0.000 0.754 97 V HN 0.242 nan 8.190 nan 0.000 0.484 98 G N 0.489 109.312 108.800 0.040 0.000 2.140 98 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.211 98 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.211 98 G C 0.073 174.981 174.900 0.013 0.000 1.013 98 G CA 0.302 45.416 45.100 0.023 0.000 0.705 98 G HN 1.746 nan 8.290 nan 0.000 0.508 99 V N -2.761 117.152 119.914 -0.003 0.000 3.376 99 V HA 0.506 4.626 4.120 -0.000 0.000 0.303 99 V C 1.096 177.180 176.094 -0.016 0.000 1.100 99 V CA 0.758 63.039 62.300 -0.032 0.000 1.126 99 V CB 1.049 32.801 31.823 -0.117 0.000 1.085 99 V HN 0.121 nan 8.190 nan 0.000 0.480 100 D N 1.237 121.636 120.400 -0.002 0.000 2.355 100 D HA 0.443 5.083 4.640 -0.000 0.000 0.206 100 D C 0.595 176.929 176.300 0.058 0.000 1.010 100 D CA 1.437 55.455 54.000 0.030 0.000 0.875 100 D CB 1.214 42.047 40.800 0.055 0.000 0.966 100 D HN 0.960 nan 8.370 nan 0.000 0.512 101 A N 0.262 123.106 122.820 0.039 0.000 2.564 101 A HA 0.558 4.878 4.320 -0.000 0.000 0.291 101 A C -1.396 176.157 177.584 -0.051 0.000 1.102 101 A CA -0.649 51.417 52.037 0.047 0.000 0.660 101 A CB 1.334 20.453 19.000 0.198 0.000 1.283 101 A HN -0.020 nan 8.150 nan 0.000 0.430 102 V N -2.131 117.755 119.914 -0.047 0.000 2.823 102 V HA 0.889 5.009 4.120 -0.000 0.000 0.312 102 V C -0.461 175.593 176.094 -0.066 0.000 1.072 102 V CA -0.701 61.551 62.300 -0.079 0.000 0.937 102 V CB 1.592 33.387 31.823 -0.045 0.000 1.013 102 V HN 1.273 nan 8.190 nan 0.000 0.430 103 M N 4.955 124.516 119.600 -0.064 0.000 2.180 103 M HA 0.663 5.143 4.480 -0.000 0.000 0.350 103 M C -1.377 174.989 176.300 0.109 0.000 1.125 103 M CA -0.245 55.042 55.300 -0.021 0.000 1.031 103 M CB 1.040 33.600 32.600 -0.066 0.000 1.623 103 M HN 0.732 nan 8.290 nan 0.000 0.451 104 L N 6.188 127.518 121.223 0.179 0.000 2.318 104 L HA 0.521 4.861 4.340 -0.000 0.000 0.277 104 L C -0.488 176.670 176.870 0.479 0.000 1.008 104 L CA -1.042 54.007 54.840 0.348 0.000 0.846 104 L CB 1.374 43.700 42.059 0.444 0.000 1.220 104 L HN 0.509 nan 8.230 nan 0.000 0.423 105 V N 3.334 123.512 119.914 0.440 0.000 2.775 105 V HA 0.426 4.546 4.120 -0.000 0.000 0.299 105 V C 0.858 177.186 176.094 0.389 0.000 1.062 105 V CA -0.358 62.145 62.300 0.337 0.000 1.063 105 V CB 1.656 33.606 31.823 0.212 0.000 0.994 105 V HN 0.870 nan 8.190 nan 0.000 0.483 106 A N 8.220 131.222 122.820 0.304 0.000 2.548 106 A HA 0.371 4.691 4.320 -0.000 0.000 0.247 106 A C -2.257 175.307 177.584 -0.032 0.000 1.067 106 A CA -0.865 51.291 52.037 0.198 0.000 0.757 106 A CB -0.586 18.502 19.000 0.146 0.000 0.996 106 A HN 0.784 nan 8.150 nan 0.000 0.504 107 P HA 0.079 nan 4.420 nan 0.000 0.260 107 P C -0.718 176.428 177.300 -0.256 0.000 1.172 107 P CA 0.839 63.669 63.100 -0.450 0.000 0.760 107 P CB -0.116 31.226 31.700 -0.598 0.000 0.773 108 Y N 2.382 122.666 120.300 -0.027 0.000 2.354 108 Y HA 0.395 4.945 4.550 -0.000 0.000 0.322 108 Y C 1.455 177.429 175.900 0.122 0.000 1.253 108 Y CA -1.043 57.076 58.100 0.031 0.000 1.272 108 Y CB 0.079 38.561 38.460 0.036 0.000 1.255 108 Y HN 0.472 nan 8.280 nan 0.000 0.500 109 Y N 1.133 121.518 120.300 0.142 0.000 2.749 109 Y HA -0.431 4.119 4.550 -0.000 0.000 0.482 109 Y C 1.197 177.101 175.900 0.007 0.000 1.210 109 Y CA 2.204 60.359 58.100 0.092 0.000 2.729 109 Y CB -1.729 36.830 38.460 0.164 0.000 0.974 109 Y HN 0.833 nan 8.280 nan 0.000 0.548 110 N N 1.408 120.037 118.700 -0.118 0.000 2.398 110 N HA 0.067 4.807 4.740 -0.000 0.000 0.188 110 N C -0.158 175.256 175.510 -0.160 0.000 1.122 110 N CA 0.969 53.886 53.050 -0.221 0.000 0.866 110 N CB -0.187 38.196 38.487 -0.175 0.000 0.970 110 N HN 0.543 nan 8.380 nan 0.000 0.462 111 K N 0.712 121.044 120.400 -0.113 0.000 3.653 111 K HA -0.105 4.215 4.320 -0.000 0.000 0.275 111 K C -2.146 174.403 176.600 -0.085 0.000 0.962 111 K CA 0.374 56.612 56.287 -0.081 0.000 0.773 111 K CB -1.334 31.124 32.500 -0.070 0.000 1.463 111 K HN 0.464 nan 8.250 nan 0.000 0.450 112 P HA 0.041 nan 4.420 nan 0.000 0.274 112 P C 0.204 177.471 177.300 -0.054 0.000 1.246 112 P CA -0.311 62.730 63.100 -0.098 0.000 0.795 112 P CB 0.800 32.403 31.700 -0.161 0.000 1.006 113 S N 0.448 116.127 115.700 -0.034 0.000 2.655 113 S HA 0.078 4.548 4.470 -0.000 0.000 0.265 113 S C 1.371 175.983 174.600 0.020 0.000 1.240 113 S CA -0.504 57.693 58.200 -0.006 0.000 0.986 113 S CB 0.441 63.640 63.200 -0.002 0.000 0.985 113 S HN 0.373 nan 8.310 nan 0.000 0.562 114 Q N 0.598 120.420 119.800 0.037 0.000 2.061 114 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 114 Q C 2.061 178.126 176.000 0.109 0.000 0.984 114 Q CA 2.172 58.019 55.803 0.072 0.000 0.846 114 Q CB -0.794 27.976 28.738 0.053 0.000 0.902 114 Q HN 0.942 nan 8.270 nan 0.000 0.421 115 E N 0.010 120.258 120.200 0.080 0.000 2.106 115 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 115 E C 1.939 178.624 176.600 0.143 0.000 0.984 115 E CA 1.390 57.858 56.400 0.113 0.000 0.806 115 E CB -0.694 29.038 29.700 0.055 0.000 0.750 115 E HN 0.367 nan 8.360 nan 0.000 0.458 116 G N 0.516 109.359 108.800 0.071 0.000 2.446 116 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 116 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 116 G C 1.668 176.580 174.900 0.021 0.000 1.168 116 G CA 1.182 46.302 45.100 0.032 0.000 0.771 116 G HN 0.269 nan 8.290 nan 0.000 0.551 117 M N -0.932 118.675 119.600 0.012 0.000 2.117 117 M HA -0.027 4.453 4.480 -0.000 0.000 0.262 117 M C 2.377 178.769 176.300 0.153 0.000 1.065 117 M CA 1.316 56.592 55.300 -0.039 0.000 1.114 117 M CB -0.389 32.250 32.600 0.065 0.000 1.361 117 M HN 0.359 nan 8.290 nan 0.000 0.408 118 Y N 1.567 121.957 120.300 0.151 0.000 2.081 118 Y HA -0.322 4.228 4.550 0.000 0.000 0.280 118 Y C 2.527 178.515 175.900 0.147 0.000 1.163 118 Y CA 1.830 60.041 58.100 0.184 0.000 1.135 118 Y CB -0.299 38.227 38.460 0.110 0.000 0.970 118 Y HN 0.212 nan 8.280 nan 0.000 0.498 119 Q N -0.817 119.033 119.800 0.084 0.000 2.124 119 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 119 Q C 2.204 178.169 176.000 -0.058 0.000 0.977 119 Q CA 2.007 57.801 55.803 -0.015 0.000 0.850 119 Q CB -0.902 27.884 28.738 0.080 0.000 0.901 119 Q HN 0.752 nan 8.270 nan 0.000 0.429 120 H N 0.014 118.989 119.070 -0.159 0.000 2.267 120 H HA -0.155 4.401 4.556 -0.000 0.000 0.297 120 H C 1.620 176.820 175.328 -0.214 0.000 1.080 120 H CA 2.047 57.948 56.048 -0.245 0.000 1.278 120 H CB -0.234 29.273 29.762 -0.426 0.000 1.365 120 H HN 0.113 nan 8.280 nan 0.000 0.489 121 F N 0.893 120.826 119.950 -0.028 0.000 2.186 121 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 121 F C 2.675 178.363 175.800 -0.186 0.000 1.090 121 F CA 1.450 59.390 58.000 -0.100 0.000 1.307 121 F CB -0.504 38.502 39.000 0.009 0.000 1.019 121 F HN 0.210 nan 8.300 nan 0.000 0.489 122 K N 0.626 120.956 120.400 -0.116 0.000 2.026 122 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 122 K C 2.287 178.816 176.600 -0.118 0.000 1.048 122 K CA 1.354 57.516 56.287 -0.209 0.000 0.929 122 K CB -0.346 31.884 32.500 -0.451 0.000 0.713 122 K HN 0.168 nan 8.250 nan 0.000 0.439 123 A N 1.190 123.937 122.820 -0.123 0.000 1.933 123 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 123 A C 2.077 179.601 177.584 -0.099 0.000 1.175 123 A CA 1.555 53.534 52.037 -0.096 0.000 0.628 123 A CB -0.533 18.410 19.000 -0.094 0.000 0.814 123 A HN 0.373 nan 8.150 nan 0.000 0.444 124 I N -0.364 120.125 120.570 -0.135 0.000 2.233 124 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 124 I C 2.940 179.032 176.117 -0.042 0.000 1.093 124 I CA 0.970 62.206 61.300 -0.107 0.000 1.380 124 I CB -0.388 37.525 38.000 -0.144 0.000 1.067 124 I HN 0.308 nan 8.210 nan 0.000 0.413 125 A N 0.274 123.085 122.820 -0.015 0.000 1.940 125 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 125 A C 2.258 179.838 177.584 -0.007 0.000 1.176 125 A CA 1.887 53.926 52.037 0.004 0.000 0.631 125 A CB -0.667 18.342 19.000 0.015 0.000 0.814 125 A HN 0.462 nan 8.150 nan 0.000 0.446 126 E N -0.022 120.165 120.200 -0.022 0.000 2.118 126 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 126 E C 2.115 178.705 176.600 -0.016 0.000 0.992 126 E CA 1.349 57.738 56.400 -0.018 0.000 0.804 126 E CB -0.091 29.594 29.700 -0.026 0.000 0.741 126 E HN 0.791 nan 8.360 nan 0.000 0.458 127 S N -0.939 114.747 115.700 -0.025 0.000 2.561 127 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 127 S C 0.663 175.254 174.600 -0.015 0.000 0.977 127 S CA 0.390 58.575 58.200 -0.025 0.000 0.926 127 S CB 0.478 63.653 63.200 -0.042 0.000 0.769 127 S HN 0.061 nan 8.310 nan 0.000 0.533 128 T N 1.324 115.873 114.554 -0.008 0.000 2.916 128 T HA 0.563 4.913 4.350 -0.000 0.000 0.305 128 T C -2.704 171.998 174.700 0.004 0.000 1.119 128 T CA -1.603 60.496 62.100 -0.002 0.000 1.008 128 T CB 1.952 70.819 68.868 -0.002 0.000 1.129 128 T HN -0.096 nan 8.240 nan 0.000 0.480 129 P HA 0.230 nan 4.420 nan 0.000 0.241 129 P C 0.333 177.639 177.300 0.011 0.000 1.191 129 P CA 0.111 63.216 63.100 0.008 0.000 0.771 129 P CB 0.063 31.767 31.700 0.006 0.000 0.929 130 L N 1.169 122.399 121.223 0.011 0.000 2.452 130 L HA 0.236 4.576 4.340 -0.000 0.000 0.267 130 L C -1.972 174.916 176.870 0.030 0.000 1.188 130 L CA -2.203 52.647 54.840 0.016 0.000 0.821 130 L CB -0.412 41.654 42.059 0.011 0.000 1.102 130 L HN -0.202 nan 8.230 nan 0.000 0.470 131 P HA 0.056 nan 4.420 nan 0.000 0.267 131 P C -0.916 176.437 177.300 0.089 0.000 1.200 131 P CA -0.056 63.088 63.100 0.074 0.000 0.772 131 P CB 0.699 32.452 31.700 0.088 0.000 0.855 132 V N 4.078 124.044 119.914 0.086 0.000 2.540 132 V HA 0.435 4.555 4.120 -0.000 0.000 0.302 132 V C -0.019 176.104 176.094 0.048 0.000 1.035 132 V CA -0.554 61.780 62.300 0.056 0.000 0.873 132 V CB 1.730 33.583 31.823 0.051 0.000 0.992 132 V HN 0.550 nan 8.190 nan 0.000 0.428 133 M N 5.755 125.345 119.600 -0.017 0.000 2.149 133 M HA 0.566 5.046 4.480 -0.000 0.000 0.342 133 M C -1.077 175.191 176.300 -0.053 0.000 1.068 133 M CA -0.504 54.753 55.300 -0.071 0.000 0.991 133 M CB 1.012 33.471 32.600 -0.234 0.000 1.596 133 M HN 0.537 nan 8.290 nan 0.000 0.439 134 L N 4.424 125.611 121.223 -0.060 0.000 2.464 134 L HA 0.235 4.575 4.340 -0.000 0.000 0.264 134 L C -0.939 175.972 176.870 0.068 0.000 1.199 134 L CA -0.412 54.355 54.840 -0.121 0.000 0.818 134 L CB 0.331 42.246 42.059 -0.241 0.000 1.102 134 L HN 0.580 nan 8.230 nan 0.000 0.473 135 Y N 2.549 122.830 120.300 -0.032 0.000 2.373 135 Y HA 0.316 4.866 4.550 -0.000 0.000 0.327 135 Y C -0.631 175.323 175.900 0.089 0.000 1.036 135 Y CA -1.979 56.143 58.100 0.037 0.000 1.265 135 Y CB 1.049 39.544 38.460 0.058 0.000 1.108 135 Y HN 0.567 nan 8.280 nan 0.000 0.471 136 N N 4.064 122.927 118.700 0.270 0.000 2.422 136 N HA 0.433 5.173 4.740 -0.000 0.000 0.264 136 N C -1.558 173.977 175.510 0.042 0.000 1.063 136 N CA 0.041 53.162 53.050 0.118 0.000 0.959 136 N CB 1.182 39.746 38.487 0.128 0.000 1.087 136 N HN 0.396 nan 8.380 nan 0.000 0.483 137 V N 7.257 127.106 119.914 -0.108 0.000 2.811 137 V HA 0.362 4.482 4.120 -0.000 0.000 0.266 137 V C -1.963 174.090 176.094 -0.068 0.000 0.872 137 V CA -1.271 60.940 62.300 -0.148 0.000 0.992 137 V CB 1.421 32.938 31.823 -0.510 0.000 1.016 137 V HN 0.697 nan 8.190 nan 0.000 0.496 138 P HA 0.002 nan 4.420 nan 0.000 0.223 138 P C 1.548 178.850 177.300 0.003 0.000 1.151 138 P CA 1.418 64.520 63.100 0.004 0.000 0.787 138 P CB 0.186 31.895 31.700 0.015 0.000 0.788 139 G N -0.156 108.642 108.800 -0.004 0.000 2.559 139 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 139 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 139 G C 1.699 176.599 174.900 -0.001 0.000 1.126 139 G CA 0.284 45.382 45.100 -0.003 0.000 0.778 139 G HN 0.295 nan 8.290 nan 0.000 0.543 140 R N -1.006 119.487 120.500 -0.011 0.000 2.383 140 R HA 0.169 4.509 4.340 -0.000 0.000 0.205 140 R C 1.886 178.206 176.300 0.032 0.000 0.875 140 R CA 0.468 56.563 56.100 -0.008 0.000 1.039 140 R CB 0.372 30.646 30.300 -0.044 0.000 1.267 140 R HN 0.198 nan 8.270 nan 0.000 0.635 141 S N 0.286 116.009 115.700 0.038 0.000 2.540 141 S HA 0.237 4.707 4.470 -0.000 0.000 0.218 141 S C 1.049 175.685 174.600 0.061 0.000 0.977 141 S CA -0.016 58.238 58.200 0.091 0.000 0.918 141 S CB 0.401 63.647 63.200 0.076 0.000 0.806 141 S HN 0.261 nan 8.310 nan 0.000 0.496 142 I N -0.105 120.488 120.570 0.039 0.000 4.519 142 I HA -0.320 3.850 4.170 -0.000 0.000 0.056 142 I C 0.745 176.875 176.117 0.022 0.000 0.610 142 I CA 1.250 62.568 61.300 0.030 0.000 0.951 142 I CB -1.600 36.421 38.000 0.034 0.000 0.858 142 I HN 0.316 nan 8.210 nan 0.000 0.164 143 V N 1.493 121.419 119.914 0.019 0.000 2.999 143 V HA 0.205 4.325 4.120 -0.000 0.000 0.307 143 V C 0.381 176.493 176.094 0.031 0.000 1.084 143 V CA -0.071 62.240 62.300 0.019 0.000 1.155 143 V CB 0.784 32.611 31.823 0.008 0.000 0.975 143 V HN 0.291 nan 8.190 nan 0.000 0.490 144 Q N 2.737 122.560 119.800 0.038 0.000 2.274 144 Q HA 0.560 4.900 4.340 -0.000 0.000 0.260 144 Q C -0.635 175.410 176.000 0.076 0.000 0.974 144 Q CA -0.699 55.135 55.803 0.052 0.000 0.876 144 Q CB 2.686 31.451 28.738 0.044 0.000 1.297 144 Q HN 0.811 nan 8.270 nan 0.000 0.446 145 I N 2.150 122.782 120.570 0.102 0.000 2.347 145 I HA 0.009 4.179 4.170 -0.000 0.000 0.294 145 I C 1.005 177.177 176.117 0.092 0.000 1.090 145 I CA -0.134 61.243 61.300 0.130 0.000 1.314 145 I CB 0.284 38.379 38.000 0.157 0.000 1.423 145 I HN 0.527 nan 8.210 nan 0.000 0.503 146 S N 4.912 120.659 115.700 0.078 0.000 2.573 146 S HA 0.084 4.554 4.470 -0.000 0.000 0.277 146 S C 1.329 175.958 174.600 0.048 0.000 1.346 146 S CA -0.844 57.389 58.200 0.054 0.000 1.034 146 S CB 1.420 64.644 63.200 0.040 0.000 0.879 146 S HN 0.406 nan 8.310 nan 0.000 0.528 147 V N 1.704 121.639 119.914 0.035 0.000 2.282 147 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 147 V C 2.278 178.376 176.094 0.007 0.000 1.057 147 V CA 2.468 64.783 62.300 0.025 0.000 1.032 147 V CB -1.059 30.776 31.823 0.019 0.000 0.645 147 V HN 0.872 nan 8.190 nan 0.000 0.447 148 D N -0.359 120.044 120.400 0.005 0.000 2.144 148 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 148 D C 2.296 178.592 176.300 -0.006 0.000 0.984 148 D CA 1.764 55.758 54.000 -0.011 0.000 0.834 148 D CB -0.402 40.390 40.800 -0.014 0.000 0.955 148 D HN 0.418 nan 8.370 nan 0.000 0.465 149 T N 0.178 114.749 114.554 0.029 0.000 2.821 149 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 149 T C 2.223 176.973 174.700 0.085 0.000 1.046 149 T CA 0.571 62.719 62.100 0.080 0.000 1.139 149 T CB -0.189 68.759 68.868 0.133 0.000 0.871 149 T HN -0.023 nan 8.240 nan 0.000 0.454 150 V N 1.297 121.233 119.914 0.037 0.000 2.343 150 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 150 V C 2.655 178.663 176.094 -0.143 0.000 1.051 150 V CA 1.249 63.538 62.300 -0.018 0.000 1.036 150 V CB -0.733 31.101 31.823 0.017 0.000 0.654 150 V HN 0.306 nan 8.190 nan 0.000 0.451 151 V N -0.035 119.805 119.914 -0.122 0.000 2.295 151 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 151 V C 2.608 178.628 176.094 -0.124 0.000 1.049 151 V CA 2.197 64.395 62.300 -0.169 0.000 1.024 151 V CB -0.788 30.975 31.823 -0.100 0.000 0.648 151 V HN 0.478 nan 8.190 nan 0.000 0.447 152 R N -0.366 120.109 120.500 -0.043 0.000 2.083 152 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 152 R C 2.300 178.674 176.300 0.124 0.000 1.137 152 R CA 1.538 57.650 56.100 0.020 0.000 0.951 152 R CB -0.485 29.796 30.300 -0.031 0.000 0.851 152 R HN 0.409 nan 8.270 nan 0.000 0.434 153 L N 0.707 122.013 121.223 0.140 0.000 2.083 153 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 153 L C 2.631 179.493 176.870 -0.014 0.000 1.083 153 L CA 1.409 56.316 54.840 0.111 0.000 0.752 153 L CB -0.556 41.547 42.059 0.072 0.000 0.899 153 L HN 0.324 nan 8.230 nan 0.000 0.433 154 S N -0.577 114.995 115.700 -0.215 0.000 2.440 154 S HA -0.216 4.254 4.470 -0.000 0.000 0.238 154 S C 1.607 176.134 174.600 -0.121 0.000 1.010 154 S CA 1.219 59.183 58.200 -0.392 0.000 0.972 154 S CB -0.347 62.215 63.200 -1.063 0.000 0.774 154 S HN 0.511 nan 8.310 nan 0.000 0.501 155 E N 0.459 120.623 120.200 -0.061 0.000 2.347 155 E HA 0.176 4.526 4.350 -0.000 0.000 0.196 155 E C -0.011 176.611 176.600 0.037 0.000 1.008 155 E CA 0.169 56.568 56.400 -0.002 0.000 0.852 155 E CB -0.130 29.575 29.700 0.008 0.000 0.783 155 E HN 0.625 nan 8.360 nan 0.000 0.505 156 I N 1.756 122.358 120.570 0.053 0.000 2.471 156 I HA -0.069 4.101 4.170 -0.000 0.000 0.286 156 I C 1.676 177.830 176.117 0.061 0.000 1.079 156 I CA 0.142 61.476 61.300 0.057 0.000 1.398 156 I CB 0.928 38.958 38.000 0.049 0.000 1.403 156 I HN 0.058 nan 8.210 nan 0.000 0.530 157 E N 5.237 125.468 120.200 0.051 0.000 2.070 157 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 157 E C 1.415 178.054 176.600 0.064 0.000 1.004 157 E CA 1.867 58.298 56.400 0.053 0.000 0.805 157 E CB 0.092 29.814 29.700 0.037 0.000 0.744 157 E HN 0.804 nan 8.360 nan 0.000 0.451 158 N N 0.556 119.291 118.700 0.058 0.000 2.383 158 N HA -0.017 4.723 4.740 -0.000 0.000 0.192 158 N C 0.092 175.653 175.510 0.086 0.000 1.141 158 N CA 0.174 53.260 53.050 0.060 0.000 0.851 158 N CB -0.024 38.487 38.487 0.041 0.000 0.976 158 N HN 0.174 nan 8.380 nan 0.000 0.465 159 I N 2.042 122.681 120.570 0.116 0.000 2.281 159 I HA 0.038 4.208 4.170 -0.000 0.000 0.293 159 I C 1.106 177.409 176.117 0.309 0.000 1.085 159 I CA -0.527 60.876 61.300 0.171 0.000 1.257 159 I CB 1.286 39.375 38.000 0.147 0.000 1.430 159 I HN -0.072 nan 8.210 nan 0.000 0.489 160 V N 2.716 122.755 119.914 0.208 0.000 3.645 160 V HA 0.641 4.761 4.120 -0.000 0.000 0.275 160 V C 0.605 176.520 176.094 -0.298 0.000 1.356 160 V CA 0.264 62.635 62.300 0.118 0.000 1.051 160 V CB 0.162 32.021 31.823 0.061 0.000 0.828 160 V HN 0.634 nan 8.190 nan 0.000 0.441 161 A N -0.119 122.464 122.820 -0.395 0.000 2.599 161 A HA 0.852 5.172 4.320 -0.000 0.000 0.290 161 A C -1.619 175.758 177.584 -0.345 0.000 1.101 161 A CA -0.412 51.237 52.037 -0.647 0.000 0.674 161 A CB 1.949 20.900 19.000 -0.081 0.000 1.277 161 A HN 0.518 nan 8.150 nan 0.000 0.419 162 I N 0.200 120.644 120.570 -0.211 0.000 2.619 162 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 162 I C -0.547 175.606 176.117 0.061 0.000 1.100 162 I CA -0.583 60.733 61.300 0.027 0.000 1.043 162 I CB 1.768 39.882 38.000 0.190 0.000 1.239 162 I HN 0.702 nan 8.210 nan 0.000 0.420 163 K N 5.927 126.344 120.400 0.029 0.000 2.284 163 K HA 0.179 4.499 4.320 -0.000 0.000 0.287 163 K C -1.016 175.677 176.600 0.154 0.000 1.081 163 K CA -0.324 55.974 56.287 0.019 0.000 0.910 163 K CB 0.512 32.868 32.500 -0.239 0.000 1.088 163 K HN 0.457 nan 8.250 nan 0.000 0.478 164 D N 4.109 124.592 120.400 0.139 0.000 2.454 164 D HA 0.226 4.866 4.640 -0.000 0.000 0.225 164 D C -0.262 176.119 176.300 0.136 0.000 1.081 164 D CA -0.350 53.739 54.000 0.149 0.000 0.864 164 D CB 1.293 42.161 40.800 0.113 0.000 1.040 164 D HN 0.574 nan 8.370 nan 0.000 0.517 165 A N 2.727 125.661 122.820 0.189 0.000 2.532 165 A HA 0.383 4.703 4.320 -0.000 0.000 0.273 165 A C 1.715 179.348 177.584 0.080 0.000 1.342 165 A CA 0.107 52.230 52.037 0.145 0.000 0.929 165 A CB -0.033 19.115 19.000 0.247 0.000 1.051 165 A HN 0.539 nan 8.150 nan 0.000 0.521 166 G N -0.805 108.037 108.800 0.071 0.000 2.598 166 G HA2 0.266 4.226 3.960 -0.000 0.000 0.215 166 G HA3 0.266 4.226 3.960 -0.000 0.000 0.215 166 G C 1.274 176.189 174.900 0.026 0.000 1.131 166 G CA 0.531 45.658 45.100 0.045 0.000 0.785 166 G HN 1.596 nan 8.290 nan 0.000 0.539 167 G N -0.424 108.390 108.800 0.023 0.000 2.148 167 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 167 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 167 G C -0.057 174.849 174.900 0.010 0.000 0.981 167 G CA 0.416 45.520 45.100 0.008 0.000 0.670 167 G HN 0.606 nan 8.290 nan 0.000 0.528 168 D N 0.212 120.623 120.400 0.017 0.000 2.454 168 D HA 0.441 5.081 4.640 -0.000 0.000 0.247 168 D C 1.665 177.974 176.300 0.016 0.000 1.129 168 D CA 0.077 54.086 54.000 0.015 0.000 0.877 168 D CB 1.288 42.099 40.800 0.018 0.000 1.082 168 D HN 0.496 nan 8.370 nan 0.000 0.537 169 V N 2.414 122.333 119.914 0.007 0.000 2.970 169 V HA -0.059 4.061 4.120 -0.000 0.000 0.260 169 V C 1.846 177.944 176.094 0.006 0.000 1.100 169 V CA 0.819 63.120 62.300 0.003 0.000 1.122 169 V CB -0.621 31.195 31.823 -0.012 0.000 0.721 169 V HN 0.512 nan 8.190 nan 0.000 0.483 170 L N 1.364 122.592 121.223 0.009 0.000 2.209 170 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 170 L C 2.969 179.849 176.870 0.017 0.000 1.094 170 L CA 1.678 56.524 54.840 0.010 0.000 0.790 170 L CB -1.027 41.036 42.059 0.008 0.000 0.932 170 L HN 0.585 nan 8.230 nan 0.000 0.447 171 T N -2.620 111.947 114.554 0.021 0.000 2.777 171 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 171 T C 1.890 176.612 174.700 0.038 0.000 1.040 171 T CA 0.915 63.032 62.100 0.029 0.000 1.141 171 T CB -0.284 68.604 68.868 0.033 0.000 0.868 171 T HN 0.128 nan 8.240 nan 0.000 0.444 172 M N 1.172 120.795 119.600 0.038 0.000 2.082 172 M HA -0.122 4.358 4.480 -0.000 0.000 0.258 172 M C 2.712 179.036 176.300 0.040 0.000 1.069 172 M CA 2.058 57.385 55.300 0.044 0.000 1.102 172 M CB -1.167 31.451 32.600 0.030 0.000 1.336 172 M HN 0.310 nan 8.290 nan 0.000 0.404 173 T N -0.075 114.495 114.554 0.026 0.000 2.665 173 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 173 T C 1.656 176.373 174.700 0.028 0.000 1.035 173 T CA 1.892 64.005 62.100 0.023 0.000 1.151 173 T CB -0.346 68.531 68.868 0.015 0.000 0.862 173 T HN 0.492 nan 8.240 nan 0.000 0.438 174 E N 0.196 120.412 120.200 0.027 0.000 2.077 174 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 174 E C 2.194 178.812 176.600 0.031 0.000 0.989 174 E CA 0.886 57.300 56.400 0.024 0.000 0.800 174 E CB -0.191 29.521 29.700 0.020 0.000 0.746 174 E HN 0.509 nan 8.360 nan 0.000 0.452 175 I N 0.757 121.356 120.570 0.048 0.000 2.179 175 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 175 I C 2.390 178.561 176.117 0.091 0.000 1.088 175 I CA 1.020 62.362 61.300 0.070 0.000 1.357 175 I CB -0.266 37.806 38.000 0.120 0.000 1.051 175 I HN 0.172 nan 8.210 nan 0.000 0.409 176 I N 0.590 121.214 120.570 0.090 0.000 2.151 176 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 176 I C 2.679 178.834 176.117 0.063 0.000 1.080 176 I CA 1.741 63.093 61.300 0.086 0.000 1.339 176 I CB -0.413 37.618 38.000 0.052 0.000 1.039 176 I HN 0.319 nan 8.210 nan 0.000 0.409 177 E N 1.327 121.552 120.200 0.042 0.000 2.051 177 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 177 E C 1.903 178.515 176.600 0.020 0.000 0.991 177 E CA 1.364 57.781 56.400 0.027 0.000 0.799 177 E CB 0.097 29.809 29.700 0.019 0.000 0.748 177 E HN 0.410 nan 8.360 nan 0.000 0.449 178 K N 0.268 120.675 120.400 0.013 0.000 2.444 178 K HA 0.035 4.355 4.320 -0.000 0.000 0.193 178 K C 0.489 177.073 176.600 -0.028 0.000 1.024 178 K CA 0.624 56.906 56.287 -0.008 0.000 1.077 178 K CB 0.648 33.138 32.500 -0.017 0.000 0.833 178 K HN 0.214 nan 8.250 nan 0.000 0.517 179 T N -1.926 112.620 114.554 -0.014 0.000 2.944 179 T HA 0.641 4.991 4.350 -0.000 0.000 0.284 179 T C 0.256 174.977 174.700 0.036 0.000 1.010 179 T CA -1.120 60.955 62.100 -0.042 0.000 1.025 179 T CB 1.862 70.674 68.868 -0.092 0.000 1.079 179 T HN 0.046 nan 8.240 nan 0.000 0.516 180 A N 0.925 123.772 122.820 0.046 0.000 2.366 180 A HA 0.334 4.654 4.320 -0.000 0.000 0.250 180 A C 1.154 178.804 177.584 0.110 0.000 1.099 180 A CA -0.421 51.657 52.037 0.069 0.000 0.794 180 A CB -0.406 18.631 19.000 0.062 0.000 1.056 180 A HN 0.921 nan 8.150 nan 0.000 0.499 181 D N 0.074 120.518 120.400 0.075 0.000 2.218 181 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 181 D C 0.864 177.208 176.300 0.073 0.000 0.976 181 D CA 1.712 55.751 54.000 0.065 0.000 0.853 181 D CB -0.088 40.734 40.800 0.037 0.000 0.939 181 D HN 0.713 nan 8.370 nan 0.000 0.481 182 D N -0.766 119.687 120.400 0.089 0.000 2.319 182 D HA -0.079 4.561 4.640 -0.000 0.000 0.230 182 D C -0.226 176.155 176.300 0.136 0.000 1.094 182 D CA -0.464 53.583 54.000 0.078 0.000 0.856 182 D CB -0.834 40.000 40.800 0.057 0.000 0.915 182 D HN 0.080 nan 8.370 nan 0.000 0.517 183 F N 1.562 121.527 119.950 0.025 0.000 2.388 183 F HA 0.590 5.117 4.527 -0.000 0.000 0.358 183 F C -0.443 175.387 175.800 0.049 0.000 1.122 183 F CA -1.129 56.897 58.000 0.043 0.000 1.056 183 F CB 1.241 40.263 39.000 0.037 0.000 1.155 183 F HN -0.003 nan 8.300 nan 0.000 0.461 184 A N 5.611 128.172 122.820 -0.431 0.000 2.309 184 A HA 0.680 5.000 4.320 -0.000 0.000 0.298 184 A C -1.212 176.198 177.584 -0.290 0.000 1.165 184 A CA -0.588 51.303 52.037 -0.243 0.000 0.821 184 A CB 0.841 19.815 19.000 -0.044 0.000 1.102 184 A HN 0.565 nan 8.150 nan 0.000 0.500 185 V N 3.337 123.164 119.914 -0.144 0.000 2.370 185 V HA 0.300 4.420 4.120 -0.000 0.000 0.283 185 V C -0.981 175.027 176.094 -0.143 0.000 1.023 185 V CA -0.201 62.070 62.300 -0.047 0.000 0.857 185 V CB 0.432 32.276 31.823 0.036 0.000 0.985 185 V HN 0.786 nan 8.190 nan 0.000 0.443 186 Y N 2.170 122.438 120.300 -0.053 0.000 2.387 186 Y HA 0.424 4.974 4.550 0.000 0.000 0.336 186 Y C 0.931 176.813 175.900 -0.031 0.000 1.067 186 Y CA -0.082 57.990 58.100 -0.047 0.000 1.114 186 Y CB 1.979 40.393 38.460 -0.077 0.000 1.208 186 Y HN 0.615 nan 8.280 nan 0.000 0.458 187 S N 1.184 116.934 115.700 0.084 0.000 2.562 187 S HA 0.224 4.694 4.470 -0.000 0.000 0.281 187 S C 1.006 175.649 174.600 0.073 0.000 1.333 187 S CA 0.128 58.365 58.200 0.062 0.000 1.052 187 S CB 0.283 63.499 63.200 0.028 0.000 0.884 187 S HN 0.981 nan 8.310 nan 0.000 0.506 188 G N 2.637 111.472 108.800 0.059 0.000 3.393 188 G HA2 0.247 4.207 3.960 -0.000 0.000 0.255 188 G HA3 0.247 4.207 3.960 -0.000 0.000 0.255 188 G C -0.463 174.458 174.900 0.034 0.000 1.097 188 G CA -0.307 44.818 45.100 0.040 0.000 0.780 188 G HN 0.682 nan 8.290 nan 0.000 0.540 189 D N 0.347 120.759 120.400 0.020 0.000 2.549 189 D HA 0.154 4.794 4.640 -0.000 0.000 0.251 189 D C -0.083 176.223 176.300 0.010 0.000 1.153 189 D CA -0.492 53.499 54.000 -0.016 0.000 0.861 189 D CB 2.108 42.886 40.800 -0.036 0.000 1.207 189 D HN -0.151 nan 8.370 nan 0.000 0.543 190 D N 2.335 122.751 120.400 0.027 0.000 2.133 190 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 190 D C 1.998 178.328 176.300 0.050 0.000 0.997 190 D CA 1.073 55.108 54.000 0.058 0.000 0.840 190 D CB 0.217 41.078 40.800 0.102 0.000 0.947 190 D HN 0.608 nan 8.370 nan 0.000 0.452 191 G N 0.651 109.468 108.800 0.030 0.000 2.450 191 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 191 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 191 G C 1.635 176.598 174.900 0.106 0.000 1.130 191 G CA 0.198 45.320 45.100 0.036 0.000 0.760 191 G HN 0.282 nan 8.290 nan 0.000 0.557 192 L N 0.874 122.133 121.223 0.060 0.000 2.591 192 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 192 L C 2.676 179.550 176.870 0.008 0.000 1.133 192 L CA 0.091 54.957 54.840 0.043 0.000 0.880 192 L CB -0.303 41.764 42.059 0.014 0.000 1.033 192 L HN 0.113 nan 8.230 nan 0.000 0.450 193 T N 0.961 115.530 114.554 0.025 0.000 2.597 193 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 193 T C 1.825 176.461 174.700 -0.107 0.000 1.053 193 T CA 1.920 64.010 62.100 -0.016 0.000 1.165 193 T CB -0.228 68.651 68.868 0.018 0.000 0.863 193 T HN 0.184 nan 8.240 nan 0.000 0.427 194 L N 2.938 124.087 121.223 -0.125 0.000 1.976 194 L HA -0.010 4.330 4.340 -0.000 0.000 0.209 194 L C -0.764 175.861 176.870 -0.408 0.000 1.071 194 L CA 2.041 56.676 54.840 -0.341 0.000 0.746 194 L CB -1.615 40.219 42.059 -0.376 0.000 0.890 194 L HN 0.143 nan 8.230 nan 0.000 0.432 195 P HA -0.152 nan 4.420 nan 0.000 0.218 195 P C 1.405 178.611 177.300 -0.157 0.000 1.148 195 P CA 2.061 65.034 63.100 -0.212 0.000 0.822 195 P CB -0.227 31.391 31.700 -0.136 0.000 0.784 196 A N -0.107 122.635 122.820 -0.130 0.000 1.898 196 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 196 A C 2.363 179.877 177.584 -0.117 0.000 1.181 196 A CA 1.731 53.712 52.037 -0.092 0.000 0.620 196 A CB -1.381 17.583 19.000 -0.061 0.000 0.819 196 A HN 0.084 nan 8.150 nan 0.000 0.442 197 M N -0.496 118.994 119.600 -0.184 0.000 2.229 197 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 197 M C 2.463 178.682 176.300 -0.134 0.000 1.063 197 M CA 1.187 56.380 55.300 -0.179 0.000 1.114 197 M CB -0.421 32.039 32.600 -0.233 0.000 1.387 197 M HN 0.490 nan 8.290 nan 0.000 0.420 198 A N 0.282 122.955 122.820 -0.246 0.000 1.978 198 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 198 A C 1.988 179.608 177.584 0.060 0.000 1.170 198 A CA 1.873 53.907 52.037 -0.004 0.000 0.636 198 A CB -0.907 18.061 19.000 -0.053 0.000 0.810 198 A HN 0.474 nan 8.150 nan 0.000 0.448 199 V N -4.548 115.363 119.914 -0.005 0.000 3.647 199 V HA 0.580 4.700 4.120 -0.000 0.000 0.279 199 V C 1.144 177.245 176.094 0.012 0.000 1.314 199 V CA 0.863 63.169 62.300 0.010 0.000 1.125 199 V CB -0.475 31.346 31.823 -0.004 0.000 0.907 199 V HN 1.393 nan 8.190 nan 0.000 0.434 200 G N -0.484 108.319 108.800 0.006 0.000 2.183 200 G HA2 0.055 4.015 3.960 -0.000 0.000 0.168 200 G HA3 0.055 4.015 3.960 -0.000 0.000 0.168 200 G C 0.362 175.239 174.900 -0.039 0.000 1.008 200 G CA -0.029 45.072 45.100 0.002 0.000 0.677 200 G HN 1.505 nan 8.290 nan 0.000 0.498 201 A N 0.381 123.161 122.820 -0.068 0.000 2.498 201 A HA 0.599 4.919 4.320 -0.000 0.000 0.239 201 A C 1.329 178.791 177.584 -0.204 0.000 1.068 201 A CA 1.392 53.349 52.037 -0.133 0.000 0.766 201 A CB 0.443 19.372 19.000 -0.119 0.000 1.003 201 A HN 0.561 nan 8.150 nan 0.000 0.497 202 K N 1.351 121.525 120.400 -0.377 0.000 2.217 202 K HA 0.175 4.495 4.320 -0.000 0.000 0.202 202 K C 0.882 177.229 176.600 -0.422 0.000 1.051 202 K CA 1.344 57.371 56.287 -0.432 0.000 0.952 202 K CB -0.057 32.083 32.500 -0.601 0.000 0.736 202 K HN 1.033 nan 8.250 nan 0.000 0.453 203 G N -0.114 108.379 108.800 -0.513 0.000 2.393 203 G HA2 0.288 4.248 3.960 -0.000 0.000 0.264 203 G HA3 0.288 4.248 3.960 -0.000 0.000 0.264 203 G C -1.998 172.923 174.900 0.036 0.000 1.221 203 G CA -0.479 44.524 45.100 -0.162 0.000 0.912 203 G HN 0.110 nan 8.290 nan 0.000 0.483 204 I N 0.263 120.965 120.570 0.220 0.000 2.582 204 I HA 0.681 4.851 4.170 -0.000 0.000 0.292 204 I C -0.687 175.526 176.117 0.160 0.000 1.066 204 I CA -0.990 60.414 61.300 0.174 0.000 1.053 204 I CB 2.252 40.299 38.000 0.079 0.000 1.241 204 I HN 0.395 nan 8.210 nan 0.000 0.421 205 V N 6.569 126.516 119.914 0.055 0.000 2.368 205 V HA 0.491 4.611 4.120 -0.000 0.000 0.266 205 V C 0.242 176.315 176.094 -0.036 0.000 1.045 205 V CA -0.219 62.029 62.300 -0.087 0.000 0.899 205 V CB 0.521 32.203 31.823 -0.235 0.000 1.006 205 V HN 0.776 nan 8.190 nan 0.000 0.470 206 S N 3.556 119.246 115.700 -0.016 0.000 2.537 206 S HA 0.593 5.063 4.470 -0.000 0.000 0.301 206 S C 0.521 175.178 174.600 0.095 0.000 1.092 206 S CA -0.585 57.642 58.200 0.046 0.000 1.048 206 S CB 2.077 65.300 63.200 0.038 0.000 1.053 206 S HN 0.342 nan 8.310 nan 0.000 0.501 207 V N 3.927 123.948 119.914 0.179 0.000 2.788 207 V HA 0.179 4.299 4.120 -0.000 0.000 0.241 207 V C 2.534 178.782 176.094 0.257 0.000 1.083 207 V CA 1.289 63.741 62.300 0.253 0.000 1.103 207 V CB -0.861 31.109 31.823 0.245 0.000 0.800 207 V HN 0.940 nan 8.190 nan 0.000 0.476 208 A N 1.194 124.124 122.820 0.184 0.000 2.070 208 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 208 A C 2.405 180.063 177.584 0.125 0.000 1.159 208 A CA 1.813 53.934 52.037 0.140 0.000 0.656 208 A CB -0.626 18.445 19.000 0.118 0.000 0.800 208 A HN 0.680 nan 8.150 nan 0.000 0.453 209 S N -0.622 115.133 115.700 0.093 0.000 2.469 209 S HA -0.226 4.244 4.470 -0.000 0.000 0.238 209 S C 1.643 176.262 174.600 0.033 0.000 0.998 209 S CA 1.157 59.374 58.200 0.029 0.000 0.957 209 S CB -0.979 62.200 63.200 -0.035 0.000 0.764 209 S HN 0.733 nan 8.310 nan 0.000 0.514 210 H N 0.909 120.021 119.070 0.070 0.000 2.422 210 H HA -0.015 4.541 4.556 -0.000 0.000 0.298 210 H C 2.269 177.708 175.328 0.185 0.000 1.098 210 H CA 1.954 58.077 56.048 0.125 0.000 1.315 210 H CB 0.093 29.884 29.762 0.048 0.000 1.382 210 H HN 0.626 nan 8.280 nan 0.000 0.523 211 V N -1.249 118.803 119.914 0.230 0.000 3.539 211 V HA 0.139 4.259 4.120 -0.000 0.000 0.262 211 V C 1.292 177.461 176.094 0.125 0.000 1.381 211 V CA 0.316 62.718 62.300 0.171 0.000 1.060 211 V CB 0.107 31.987 31.823 0.096 0.000 0.842 211 V HN 0.282 nan 8.190 nan 0.000 0.445 212 I N -1.674 118.952 120.570 0.093 0.000 3.241 212 I HA 0.702 4.872 4.170 -0.000 0.000 0.333 212 I C 1.444 177.583 176.117 0.037 0.000 1.534 212 I CA 0.134 61.469 61.300 0.060 0.000 0.979 212 I CB 0.364 38.395 38.000 0.051 0.000 1.497 212 I HN -0.016 nan 8.210 nan 0.000 0.530 213 G N 1.909 110.720 108.800 0.019 0.000 2.440 213 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 213 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 213 G C 1.259 176.145 174.900 -0.023 0.000 1.154 213 G CA 0.940 46.029 45.100 -0.018 0.000 0.767 213 G HN 0.438 nan 8.290 nan 0.000 0.552 214 N N 0.919 119.602 118.700 -0.029 0.000 2.120 214 N HA -0.073 4.667 4.740 -0.000 0.000 0.188 214 N C 2.173 177.684 175.510 0.001 0.000 1.024 214 N CA 1.366 54.403 53.050 -0.021 0.000 0.852 214 N CB -0.323 38.150 38.487 -0.023 0.000 1.003 214 N HN 0.316 nan 8.380 nan 0.000 0.424 215 E N 0.692 120.900 120.200 0.013 0.000 2.110 215 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 215 E C 2.062 178.680 176.600 0.031 0.000 0.988 215 E CA 0.842 57.257 56.400 0.024 0.000 0.804 215 E CB -0.197 29.520 29.700 0.029 0.000 0.745 215 E HN 0.383 nan 8.360 nan 0.000 0.458 216 M N 0.076 119.694 119.600 0.029 0.000 2.086 216 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 216 M C 2.113 178.432 176.300 0.032 0.000 1.067 216 M CA 1.298 56.619 55.300 0.034 0.000 1.116 216 M CB -0.149 32.470 32.600 0.032 0.000 1.348 216 M HN 0.038 nan 8.290 nan 0.000 0.407 217 Q N 0.130 119.942 119.800 0.019 0.000 2.124 217 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 217 Q C 1.843 177.858 176.000 0.025 0.000 0.977 217 Q CA 1.467 57.281 55.803 0.018 0.000 0.850 217 Q CB -0.461 28.279 28.738 0.003 0.000 0.901 217 Q HN 0.623 nan 8.270 nan 0.000 0.429 218 E N 0.486 120.700 120.200 0.023 0.000 2.085 218 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 218 E C 2.016 178.641 176.600 0.043 0.000 0.994 218 E CA 0.991 57.406 56.400 0.025 0.000 0.801 218 E CB -0.049 29.664 29.700 0.022 0.000 0.743 218 E HN 0.271 nan 8.360 nan 0.000 0.453 219 M N 0.399 120.032 119.600 0.055 0.000 2.086 219 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 219 M C 2.119 178.482 176.300 0.106 0.000 1.067 219 M CA 1.548 56.897 55.300 0.082 0.000 1.116 219 M CB -0.100 32.550 32.600 0.083 0.000 1.348 219 M HN 0.167 nan 8.290 nan 0.000 0.407 220 I N 0.369 120.990 120.570 0.085 0.000 2.226 220 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 220 I C 2.640 178.835 176.117 0.130 0.000 1.100 220 I CA 1.243 62.608 61.300 0.109 0.000 1.374 220 I CB -0.646 37.393 38.000 0.065 0.000 1.057 220 I HN 0.388 nan 8.210 nan 0.000 0.413 221 A N 0.718 123.580 122.820 0.070 0.000 1.873 221 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 221 A C 2.565 180.156 177.584 0.010 0.000 1.186 221 A CA 1.750 53.807 52.037 0.034 0.000 0.616 221 A CB -0.878 18.130 19.000 0.013 0.000 0.823 221 A HN 0.413 nan 8.150 nan 0.000 0.442 222 A N -0.899 121.935 122.820 0.023 0.000 1.883 222 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 222 A C 2.073 179.629 177.584 -0.047 0.000 1.186 222 A CA 1.779 53.809 52.037 -0.012 0.000 0.624 222 A CB -0.819 18.196 19.000 0.025 0.000 0.822 222 A HN 0.750 nan 8.150 nan 0.000 0.444 223 F N 0.596 120.501 119.950 -0.075 0.000 2.069 223 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 223 F C 2.449 178.174 175.800 -0.124 0.000 1.113 223 F CA 2.396 60.352 58.000 -0.073 0.000 1.214 223 F CB -0.608 38.408 39.000 0.026 0.000 0.978 223 F HN 0.312 nan 8.300 nan 0.000 0.474 224 Q N -0.177 119.556 119.800 -0.111 0.000 2.170 224 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 224 Q C 1.928 177.765 176.000 -0.272 0.000 0.976 224 Q CA 1.280 56.962 55.803 -0.202 0.000 0.858 224 Q CB -0.386 28.348 28.738 -0.007 0.000 0.907 224 Q HN 0.521 nan 8.270 nan 0.000 0.433 225 A N -0.361 122.311 122.820 -0.246 0.000 2.302 225 A HA 0.336 4.656 4.320 -0.000 0.000 0.219 225 A C 1.307 178.671 177.584 -0.367 0.000 1.243 225 A CA 0.560 52.454 52.037 -0.239 0.000 0.856 225 A CB -0.396 18.510 19.000 -0.157 0.000 0.893 225 A HN 0.419 nan 8.150 nan 0.000 0.491 226 G N -0.143 108.280 108.800 -0.630 0.000 2.179 226 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 226 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 226 G C -0.110 174.196 174.900 -0.990 0.000 1.010 226 G CA 0.449 44.926 45.100 -1.037 0.000 0.736 226 G HN 0.683 nan 8.290 nan 0.000 0.513 227 E N -0.002 119.821 120.200 -0.628 0.000 1.964 227 E HA 0.423 4.773 4.350 -0.000 0.000 0.264 227 E C 0.779 177.248 176.600 -0.218 0.000 1.120 227 E CA -0.739 55.466 56.400 -0.325 0.000 1.061 227 E CB -0.070 29.532 29.700 -0.163 0.000 1.190 227 E HN 0.375 nan 8.360 nan 0.000 0.459 228 F N 1.078 121.037 119.950 0.015 0.000 2.206 228 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 228 F C 2.191 178.026 175.800 0.058 0.000 1.090 228 F CA 0.677 58.709 58.000 0.053 0.000 1.323 228 F CB -0.043 38.981 39.000 0.039 0.000 1.028 228 F HN 0.152 nan 8.300 nan 0.000 0.492 229 K N 0.727 121.249 120.400 0.203 0.000 2.057 229 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 229 K C 2.152 178.816 176.600 0.107 0.000 1.049 229 K CA 1.063 57.431 56.287 0.134 0.000 0.931 229 K CB -0.412 32.144 32.500 0.093 0.000 0.714 229 K HN 0.256 nan 8.250 nan 0.000 0.440 230 K N 0.586 121.034 120.400 0.081 0.000 2.026 230 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 230 K C 2.081 178.738 176.600 0.094 0.000 1.048 230 K CA 1.308 57.633 56.287 0.065 0.000 0.929 230 K CB -0.101 32.418 32.500 0.031 0.000 0.713 230 K HN 0.055 nan 8.250 nan 0.000 0.439 231 A N 1.090 123.984 122.820 0.123 0.000 1.908 231 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 231 A C 2.042 179.738 177.584 0.186 0.000 1.181 231 A CA 1.707 53.845 52.037 0.169 0.000 0.627 231 A CB -0.618 18.536 19.000 0.256 0.000 0.818 231 A HN 0.499 nan 8.150 nan 0.000 0.445 232 Q N -0.768 119.148 119.800 0.193 0.000 2.124 232 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 232 Q C 2.197 178.304 176.000 0.178 0.000 0.977 232 Q CA 1.794 57.713 55.803 0.194 0.000 0.850 232 Q CB -0.155 28.678 28.738 0.159 0.000 0.901 232 Q HN 0.719 nan 8.270 nan 0.000 0.429 233 K N 0.650 121.126 120.400 0.127 0.000 2.057 233 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 233 K C 1.898 178.546 176.600 0.080 0.000 1.050 233 K CA 0.930 57.270 56.287 0.089 0.000 0.935 233 K CB 0.007 32.548 32.500 0.068 0.000 0.715 233 K HN 0.160 nan 8.250 nan 0.000 0.439 234 L N -0.179 121.101 121.223 0.094 0.000 2.093 234 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 234 L C 2.584 179.508 176.870 0.091 0.000 1.085 234 L CA 1.354 56.242 54.840 0.080 0.000 0.755 234 L CB -0.594 41.512 42.059 0.080 0.000 0.904 234 L HN 0.367 nan 8.230 nan 0.000 0.435 235 H N 0.396 119.489 119.070 0.039 0.000 2.319 235 H HA -0.217 4.339 4.556 -0.000 0.000 0.299 235 H C 2.287 177.630 175.328 0.026 0.000 1.092 235 H CA 2.025 58.089 56.048 0.027 0.000 1.302 235 H CB -0.007 29.770 29.762 0.026 0.000 1.373 235 H HN 0.284 nan 8.280 nan 0.000 0.497 236 Q N -0.558 119.174 119.800 -0.114 0.000 2.096 236 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 236 Q C 2.391 178.322 176.000 -0.116 0.000 0.982 236 Q CA 1.501 57.212 55.803 -0.154 0.000 0.850 236 Q CB -0.188 28.540 28.738 -0.017 0.000 0.901 236 Q HN 0.447 nan 8.270 nan 0.000 0.422 237 L N 0.384 121.576 121.223 -0.052 0.000 2.017 237 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 237 L C 2.047 178.896 176.870 -0.035 0.000 1.073 237 L CA 1.404 56.229 54.840 -0.026 0.000 0.745 237 L CB -0.641 41.421 42.059 0.005 0.000 0.894 237 L HN 0.237 nan 8.230 nan 0.000 0.432 238 L N -1.013 120.184 121.223 -0.044 0.000 2.012 238 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 238 L C 2.405 179.245 176.870 -0.050 0.000 1.073 238 L CA 1.967 56.792 54.840 -0.025 0.000 0.748 238 L CB -0.832 41.228 42.059 0.002 0.000 0.891 238 L HN 0.145 nan 8.230 nan 0.000 0.431 239 V N -0.160 119.662 119.914 -0.152 0.000 2.343 239 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 239 V C 2.793 178.855 176.094 -0.053 0.000 1.051 239 V CA 2.198 64.416 62.300 -0.135 0.000 1.036 239 V CB -0.714 30.954 31.823 -0.258 0.000 0.654 239 V HN 0.504 nan 8.190 nan 0.000 0.451 240 R N -0.408 120.061 120.500 -0.052 0.000 2.075 240 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 240 R C 2.205 178.511 176.300 0.011 0.000 1.126 240 R CA 1.488 57.578 56.100 -0.016 0.000 0.963 240 R CB -0.251 30.038 30.300 -0.019 0.000 0.858 240 R HN 0.392 nan 8.270 nan 0.000 0.435 241 V N 0.110 120.032 119.914 0.014 0.000 2.358 241 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 241 V C 2.132 178.263 176.094 0.062 0.000 1.047 241 V CA 2.214 64.532 62.300 0.030 0.000 1.035 241 V CB -0.457 31.384 31.823 0.030 0.000 0.658 241 V HN 0.457 nan 8.190 nan 0.000 0.452 242 T N -0.208 114.399 114.554 0.088 0.000 2.684 242 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 242 T C 1.664 176.519 174.700 0.258 0.000 1.036 242 T CA 1.834 64.046 62.100 0.186 0.000 1.148 242 T CB -0.409 68.553 68.868 0.156 0.000 0.863 242 T HN 0.461 nan 8.240 nan 0.000 0.436 243 D N 1.165 121.654 120.400 0.148 0.000 2.144 243 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 243 D C 2.476 178.858 176.300 0.136 0.000 0.984 243 D CA 1.508 55.594 54.000 0.143 0.000 0.834 243 D CB -0.520 40.318 40.800 0.064 0.000 0.955 243 D HN 0.516 nan 8.370 nan 0.000 0.465 244 S N -0.083 115.664 115.700 0.079 0.000 2.419 244 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 244 S C 1.728 176.328 174.600 0.001 0.000 1.016 244 S CA 0.462 58.683 58.200 0.036 0.000 0.974 244 S CB -0.180 63.028 63.200 0.014 0.000 0.786 244 S HN 0.064 nan 8.310 nan 0.000 0.492 245 L N -0.177 121.039 121.223 -0.011 0.000 2.554 245 L HA 0.440 4.780 4.340 -0.000 0.000 0.226 245 L C 0.595 177.186 176.870 -0.465 0.000 1.137 245 L CA 0.765 55.471 54.840 -0.223 0.000 0.863 245 L CB -1.020 40.879 42.059 -0.267 0.000 0.985 245 L HN 0.357 nan 8.230 nan 0.000 0.451 246 F N -2.679 117.268 119.950 -0.005 0.000 2.724 246 F HA 0.154 4.681 4.527 0.000 0.000 0.310 246 F C 1.765 177.563 175.800 -0.003 0.000 1.107 246 F CA -0.073 57.926 58.000 -0.002 0.000 1.218 246 F CB 0.064 39.067 39.000 0.005 0.000 1.042 246 F HN -0.083 nan 8.300 nan 0.000 0.540 247 M N 0.081 119.740 119.600 0.100 0.000 2.319 247 M HA 0.161 4.641 4.480 -0.000 0.000 0.265 247 M C 1.057 177.379 176.300 0.037 0.000 1.068 247 M CA 0.495 55.833 55.300 0.063 0.000 1.118 247 M CB -0.956 31.666 32.600 0.035 0.000 1.395 247 M HN 0.053 nan 8.290 nan 0.000 0.435 248 A N 0.325 123.151 122.820 0.010 0.000 2.322 248 A HA 0.672 4.992 4.320 -0.000 0.000 0.327 248 A C -2.387 175.195 177.584 -0.003 0.000 1.134 248 A CA -1.548 50.488 52.037 -0.002 0.000 0.831 248 A CB 0.117 19.102 19.000 -0.025 0.000 1.288 248 A HN 0.044 nan 8.150 nan 0.000 0.472 249 P HA 0.053 nan 4.420 nan 0.000 0.261 249 P C -0.068 177.209 177.300 -0.037 0.000 1.183 249 P CA 0.469 63.577 63.100 0.014 0.000 0.761 249 P CB 0.510 32.215 31.700 0.008 0.000 0.785 250 S N 4.497 120.173 115.700 -0.040 0.000 2.549 250 S HA 0.218 4.688 4.470 -0.000 0.000 0.283 250 S C -1.525 173.038 174.600 -0.061 0.000 1.320 250 S CA -0.906 57.210 58.200 -0.141 0.000 1.058 250 S CB -0.176 62.905 63.200 -0.198 0.000 0.882 250 S HN 0.347 nan 8.310 nan 0.000 0.498 251 P HA 0.246 nan 4.420 nan 0.000 0.289 251 P C 0.710 177.897 177.300 -0.188 0.000 1.599 251 P CA -0.215 62.780 63.100 -0.175 0.000 1.239 251 P CB 0.332 31.938 31.700 -0.156 0.000 1.581 252 T N 1.617 116.087 114.554 -0.140 0.000 2.746 252 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 252 T C -0.758 173.861 174.700 -0.134 0.000 1.039 252 T CA 1.983 64.017 62.100 -0.110 0.000 1.142 252 T CB -1.533 67.292 68.868 -0.072 0.000 0.866 252 T HN 0.225 nan 8.240 nan 0.000 0.444 253 P HA -0.034 nan 4.420 nan 0.000 0.215 253 P C 1.784 178.976 177.300 -0.181 0.000 1.157 253 P CA 0.457 63.459 63.100 -0.163 0.000 0.868 253 P CB -0.259 31.324 31.700 -0.195 0.000 0.788 254 V N -0.008 119.757 119.914 -0.248 0.000 2.515 254 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 254 V C 2.088 178.035 176.094 -0.245 0.000 1.058 254 V CA 1.877 64.024 62.300 -0.255 0.000 1.064 254 V CB -0.875 30.740 31.823 -0.347 0.000 0.675 254 V HN 0.049 nan 8.190 nan 0.000 0.461 255 K N -0.645 119.615 120.400 -0.232 0.000 2.097 255 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 255 K C 2.049 178.567 176.600 -0.136 0.000 1.049 255 K CA 1.932 58.104 56.287 -0.191 0.000 0.933 255 K CB -0.347 32.054 32.500 -0.164 0.000 0.717 255 K HN 0.534 nan 8.250 nan 0.000 0.442 256 T N 0.777 115.260 114.554 -0.118 0.000 2.857 256 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 256 T C 1.971 176.621 174.700 -0.083 0.000 1.048 256 T CA 1.149 63.197 62.100 -0.087 0.000 1.139 256 T CB -0.119 68.704 68.868 -0.074 0.000 0.874 256 T HN 0.266 nan 8.240 nan 0.000 0.455 257 A N 1.271 124.036 122.820 -0.092 0.000 1.930 257 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 257 A C 2.287 179.828 177.584 -0.072 0.000 1.175 257 A CA 0.980 52.974 52.037 -0.071 0.000 0.627 257 A CB -0.854 18.106 19.000 -0.067 0.000 0.815 257 A HN 0.440 nan 8.150 nan 0.000 0.443 258 L N -0.583 120.582 121.223 -0.097 0.000 2.012 258 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 258 L C 2.965 179.765 176.870 -0.117 0.000 1.073 258 L CA 1.919 56.689 54.840 -0.117 0.000 0.748 258 L CB -0.469 41.508 42.059 -0.137 0.000 0.891 258 L HN 0.555 nan 8.230 nan 0.000 0.431 259 Q N 0.141 119.882 119.800 -0.099 0.000 2.124 259 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 259 Q C 2.168 178.129 176.000 -0.065 0.000 0.977 259 Q CA 1.740 57.495 55.803 -0.080 0.000 0.850 259 Q CB -0.116 28.582 28.738 -0.067 0.000 0.901 259 Q HN 0.524 nan 8.270 nan 0.000 0.429 260 M N 0.275 119.840 119.600 -0.058 0.000 2.159 260 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 260 M C 1.958 178.234 176.300 -0.040 0.000 1.063 260 M CA 1.432 56.706 55.300 -0.043 0.000 1.110 260 M CB -0.034 32.544 32.600 -0.036 0.000 1.374 260 M HN 0.174 nan 8.290 nan 0.000 0.411 261 V N -2.885 116.997 119.914 -0.053 0.000 3.499 261 V HA 0.476 4.596 4.120 -0.000 0.000 0.308 261 V C 0.909 176.957 176.094 -0.077 0.000 1.319 261 V CA 0.418 62.688 62.300 -0.049 0.000 1.194 261 V CB -0.912 30.889 31.823 -0.036 0.000 1.072 261 V HN 0.664 nan 8.190 nan 0.000 0.426 262 G N 0.604 109.356 108.800 -0.080 0.000 2.132 262 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.234 262 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.234 262 G C -0.181 174.649 174.900 -0.118 0.000 0.989 262 G CA 0.287 45.339 45.100 -0.080 0.000 0.676 262 G HN 0.578 nan 8.290 nan 0.000 0.522 263 L N 1.630 122.755 121.223 -0.164 0.000 2.356 263 L HA 0.325 4.665 4.340 -0.000 0.000 0.264 263 L C -0.253 176.539 176.870 -0.129 0.000 1.029 263 L CA -0.803 53.929 54.840 -0.180 0.000 0.897 263 L CB 1.063 42.935 42.059 -0.312 0.000 1.256 263 L HN 0.151 nan 8.230 nan 0.000 0.444 264 D N 2.476 122.822 120.400 -0.091 0.000 2.371 264 D HA 0.093 4.733 4.640 -0.000 0.000 0.256 264 D C 0.575 176.828 176.300 -0.078 0.000 1.193 264 D CA 0.068 54.024 54.000 -0.074 0.000 0.881 264 D CB 1.782 42.552 40.800 -0.050 0.000 1.143 264 D HN 0.322 nan 8.370 nan 0.000 0.473 265 V N 1.346 121.205 119.914 -0.091 0.000 3.070 265 V HA 0.499 4.619 4.120 -0.000 0.000 0.345 265 V C 0.903 176.936 176.094 -0.101 0.000 1.403 265 V CA 0.306 62.539 62.300 -0.112 0.000 1.155 265 V CB -0.163 31.571 31.823 -0.149 0.000 1.140 265 V HN 0.763 nan 8.190 nan 0.000 0.505 266 G N 0.853 109.624 108.800 -0.049 0.000 2.698 266 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.233 266 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.233 266 G C -0.057 174.849 174.900 0.011 0.000 1.352 266 G CA 0.229 45.333 45.100 0.006 0.000 0.879 266 G HN 1.073 nan 8.290 nan 0.000 0.567 267 S N -2.215 113.532 115.700 0.080 0.000 2.561 267 S HA 0.840 5.310 4.470 -0.000 0.000 0.282 267 S C 0.444 175.149 174.600 0.174 0.000 1.123 267 S CA 0.672 58.915 58.200 0.072 0.000 1.011 267 S CB 0.912 64.138 63.200 0.043 0.000 1.244 267 S HN 2.109 nan 8.310 nan 0.000 0.503 268 V N -0.396 119.595 119.914 0.129 0.000 3.001 268 V HA 0.720 4.840 4.120 -0.000 0.000 0.314 268 V C -0.926 175.213 176.094 0.074 0.000 1.099 268 V CA -1.172 61.227 62.300 0.165 0.000 0.989 268 V CB 1.413 33.278 31.823 0.069 0.000 1.040 268 V HN 0.808 nan 8.190 nan 0.000 0.434 269 R N 1.592 122.126 120.500 0.057 0.000 2.404 269 R HA 0.621 4.961 4.340 -0.000 0.000 0.291 269 R C -0.672 175.610 176.300 -0.030 0.000 1.025 269 R CA -0.747 55.319 56.100 -0.058 0.000 0.991 269 R CB 1.382 31.601 30.300 -0.135 0.000 1.053 269 R HN 0.680 nan 8.270 nan 0.000 0.479 270 L N 4.429 125.624 121.223 -0.047 0.000 2.578 270 L HA 0.012 4.352 4.340 -0.000 0.000 0.279 270 L C -1.147 175.700 176.870 -0.037 0.000 1.227 270 L CA -0.647 54.170 54.840 -0.038 0.000 0.900 270 L CB 0.299 42.333 42.059 -0.041 0.000 1.144 270 L HN 0.503 nan 8.230 nan 0.000 0.496 271 P HA 0.182 nan 4.420 nan 0.000 0.266 271 P C -0.109 177.177 177.300 -0.022 0.000 1.381 271 P CA 0.070 63.152 63.100 -0.030 0.000 0.940 271 P CB 0.358 32.038 31.700 -0.034 0.000 1.435 272 L N 0.343 121.555 121.223 -0.017 0.000 2.418 272 L HA 0.387 4.727 4.340 -0.000 0.000 0.265 272 L C 0.530 177.393 176.870 -0.011 0.000 1.143 272 L CA -0.633 54.200 54.840 -0.011 0.000 0.809 272 L CB 0.711 42.770 42.059 -0.001 0.000 1.124 272 L HN -0.139 nan 8.230 nan 0.000 0.456 273 L N 1.925 123.140 121.223 -0.013 0.000 2.350 273 L HA 0.534 4.874 4.340 -0.000 0.000 0.260 273 L C -2.304 174.557 176.870 -0.016 0.000 1.015 273 L CA -2.042 52.789 54.840 -0.014 0.000 0.821 273 L CB 2.236 44.285 42.059 -0.015 0.000 1.370 273 L HN 0.334 nan 8.230 nan 0.000 0.416 274 P HA 0.026 nan 4.420 nan 0.000 0.267 274 P C -0.618 176.669 177.300 -0.022 0.000 1.201 274 P CA -0.417 62.671 63.100 -0.019 0.000 0.775 274 P CB 0.301 31.991 31.700 -0.017 0.000 0.854 275 L N 1.935 123.141 121.223 -0.028 0.000 2.514 275 L HA 0.077 4.417 4.340 -0.000 0.000 0.280 275 L C 1.409 178.266 176.870 -0.021 0.000 1.223 275 L CA 0.817 55.641 54.840 -0.027 0.000 0.864 275 L CB -0.653 41.386 42.059 -0.034 0.000 1.118 275 L HN 0.509 nan 8.230 nan 0.000 0.494 276 T N -0.719 113.824 114.554 -0.017 0.000 2.748 276 T HA 0.093 4.443 4.350 -0.000 0.000 0.304 276 T C 1.039 175.730 174.700 -0.014 0.000 1.041 276 T CA -0.196 61.896 62.100 -0.014 0.000 1.033 276 T CB 0.631 69.493 68.868 -0.011 0.000 0.995 276 T HN 0.609 nan 8.240 nan 0.000 0.536 277 E N 0.345 120.537 120.200 -0.012 0.000 2.051 277 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 277 E C 2.069 178.662 176.600 -0.011 0.000 0.991 277 E CA 1.794 58.187 56.400 -0.012 0.000 0.799 277 E CB -0.439 29.255 29.700 -0.010 0.000 0.748 277 E HN 0.804 nan 8.360 nan 0.000 0.449 278 E N 0.133 120.328 120.200 -0.009 0.000 2.097 278 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 278 E C 2.139 178.734 176.600 -0.009 0.000 1.000 278 E CA 1.516 57.911 56.400 -0.008 0.000 0.804 278 E CB -0.150 29.546 29.700 -0.006 0.000 0.740 278 E HN 0.454 nan 8.360 nan 0.000 0.454 279 E N 0.241 120.434 120.200 -0.011 0.000 2.072 279 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 279 E C 2.197 178.787 176.600 -0.018 0.000 0.985 279 E CA 0.523 56.915 56.400 -0.014 0.000 0.801 279 E CB -0.057 29.633 29.700 -0.016 0.000 0.750 279 E HN 0.087 nan 8.360 nan 0.000 0.452 280 R N 0.781 121.269 120.500 -0.020 0.000 2.081 280 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 280 R C 2.240 178.529 176.300 -0.018 0.000 1.131 280 R CA 1.012 57.098 56.100 -0.022 0.000 0.960 280 R CB -0.095 30.192 30.300 -0.022 0.000 0.856 280 R HN 0.049 nan 8.270 nan 0.000 0.436 281 V N 0.406 120.312 119.914 -0.014 0.000 2.295 281 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 281 V C 2.225 178.313 176.094 -0.009 0.000 1.049 281 V CA 2.311 64.605 62.300 -0.011 0.000 1.024 281 V CB -0.603 31.215 31.823 -0.008 0.000 0.648 281 V HN 0.459 nan 8.190 nan 0.000 0.447 282 T N 0.582 115.131 114.554 -0.009 0.000 2.684 282 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 282 T C 1.888 176.583 174.700 -0.008 0.000 1.036 282 T CA 2.063 64.159 62.100 -0.006 0.000 1.148 282 T CB -0.389 68.476 68.868 -0.005 0.000 0.863 282 T HN 0.309 nan 8.240 nan 0.000 0.436 283 L N 1.074 122.288 121.223 -0.015 0.000 2.027 283 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 283 L C 2.594 179.454 176.870 -0.017 0.000 1.074 283 L CA 1.849 56.678 54.840 -0.019 0.000 0.745 283 L CB -0.883 41.157 42.059 -0.032 0.000 0.898 283 L HN 0.255 nan 8.230 nan 0.000 0.433 284 Q N -0.970 118.820 119.800 -0.017 0.000 2.112 284 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 284 Q C 2.129 178.124 176.000 -0.009 0.000 0.987 284 Q CA 2.267 58.062 55.803 -0.014 0.000 0.858 284 Q CB -0.079 28.650 28.738 -0.014 0.000 0.905 284 Q HN 0.631 nan 8.270 nan 0.000 0.420 285 S N -0.372 115.324 115.700 -0.006 0.000 2.368 285 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 285 S C 1.941 176.540 174.600 -0.001 0.000 1.030 285 S CA 1.339 59.538 58.200 -0.003 0.000 0.999 285 S CB -0.235 62.964 63.200 -0.002 0.000 0.844 285 S HN 0.274 nan 8.310 nan 0.000 0.459 286 V N 2.159 122.072 119.914 -0.002 0.000 2.343 286 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 286 V C 2.396 178.491 176.094 0.002 0.000 1.051 286 V CA 1.389 63.690 62.300 0.001 0.000 1.036 286 V CB -0.585 31.239 31.823 0.002 0.000 0.654 286 V HN 0.445 nan 8.190 nan 0.000 0.451 287 M N 0.465 120.064 119.600 -0.002 0.000 2.117 287 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 287 M C 2.356 178.659 176.300 0.004 0.000 1.065 287 M CA 1.820 57.120 55.300 0.001 0.000 1.114 287 M CB -1.224 31.372 32.600 -0.007 0.000 1.361 287 M HN 0.679 nan 8.290 nan 0.000 0.408 288 Q N -0.582 119.219 119.800 0.001 0.000 2.435 288 Q HA -0.036 4.304 4.340 -0.000 0.000 0.207 288 Q C 1.585 177.588 176.000 0.006 0.000 0.956 288 Q CA 1.544 57.349 55.803 0.003 0.000 0.917 288 Q CB -0.472 28.266 28.738 0.001 0.000 0.997 288 Q HN 0.517 nan 8.270 nan 0.000 0.497 289 S N 0.388 116.092 115.700 0.006 0.000 2.562 289 S HA 0.111 4.581 4.470 -0.000 0.000 0.221 289 S C 0.860 175.466 174.600 0.010 0.000 0.975 289 S CA -0.501 57.704 58.200 0.007 0.000 0.918 289 S CB -0.424 62.780 63.200 0.006 0.000 0.772 289 S HN 0.340 nan 8.310 nan 0.000 0.531 290 I N 3.466 124.043 120.570 0.012 0.000 2.587 290 I HA 0.198 4.368 4.170 -0.000 0.000 0.284 290 I C -2.360 173.767 176.117 0.016 0.000 1.134 290 I CA -1.896 59.414 61.300 0.015 0.000 1.410 290 I CB 0.245 38.257 38.000 0.020 0.000 1.392 290 I HN 0.066 nan 8.210 nan 0.000 0.545 291 P HA 0.261 nan 4.420 nan 0.000 0.270 291 P C -0.658 176.654 177.300 0.019 0.000 1.242 291 P CA 0.002 63.112 63.100 0.017 0.000 0.768 291 P CB 0.495 32.205 31.700 0.017 0.000 0.820 292 R N 0.000 120.511 120.500 0.018 0.000 2.786 292 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 292 R CA 0.000 56.112 56.100 0.020 0.000 0.921 292 R CB 0.000 30.314 30.300 0.024 0.000 0.687 292 R HN 0.000 nan 8.270 nan 0.000 0.535