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 1xl9_1_D 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 0.000 176.227 176.300 -0.121 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.072 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 I N 2.405 122.865 120.570 -0.184 0.000 2.472 2 I HA 0.498 4.685 4.170 0.029 0.000 0.290 2 I C -1.227 174.595 176.117 -0.491 0.000 1.016 2 I CA 0.025 61.134 61.300 -0.317 0.000 1.348 2 I CB 0.954 38.734 38.000 -0.366 0.000 1.417 2 I HN 0.435 nan 8.210 nan 0.000 0.521 3 D N 5.854 125.979 120.400 -0.458 0.000 2.549 3 D HA 0.256 4.914 4.640 0.029 0.000 0.251 3 D C -0.363 175.759 176.300 -0.296 0.000 1.153 3 D CA -0.319 53.470 54.000 -0.352 0.000 0.861 3 D CB 0.842 41.554 40.800 -0.147 0.000 1.207 3 D HN 0.322 nan 8.370 nan 0.000 0.543 4 F N 2.255 122.229 119.950 0.041 0.000 2.765 4 F HA 0.406 4.940 4.527 0.012 0.000 0.302 4 F C 1.841 177.674 175.800 0.055 0.000 1.111 4 F CA 0.306 58.306 58.000 0.000 0.000 1.359 4 F CB -0.216 38.711 39.000 -0.121 0.000 1.097 4 F HN 0.598 nan 8.300 nan 0.000 0.577 5 G N 0.837 109.773 108.800 0.226 0.000 2.598 5 G HA2 -0.323 3.655 3.960 0.029 0.000 0.244 5 G HA3 -0.323 3.655 3.960 0.029 0.000 0.244 5 G C 0.970 176.012 174.900 0.237 0.000 1.302 5 G CA 0.264 45.464 45.100 0.166 0.000 0.903 5 G HN 0.326 nan 8.290 nan 0.000 0.575 6 T N -1.776 112.868 114.554 0.150 0.000 3.009 6 T HA 0.421 4.789 4.350 0.029 0.000 0.258 6 T C 1.305 176.111 174.700 0.176 0.000 1.063 6 T CA 1.444 63.627 62.100 0.138 0.000 1.139 6 T CB 0.231 69.139 68.868 0.068 0.000 0.890 6 T HN 0.825 nan 8.240 nan 0.000 0.471 7 I N 1.944 122.588 120.570 0.123 0.000 2.563 7 I HA 0.526 4.714 4.170 0.029 0.000 0.276 7 I C -0.259 175.867 176.117 0.015 0.000 1.074 7 I CA -1.145 60.198 61.300 0.071 0.000 1.124 7 I CB 1.281 39.299 38.000 0.029 0.000 1.225 7 I HN 0.175 nan 8.210 nan 0.000 0.482 8 A N 4.164 126.964 122.820 -0.034 0.000 2.362 8 A HA 0.586 4.923 4.320 0.029 0.000 0.276 8 A C 0.217 177.716 177.584 -0.142 0.000 1.153 8 A CA 0.066 52.012 52.037 -0.152 0.000 0.813 8 A CB 0.173 18.963 19.000 -0.351 0.000 1.081 8 A HN 0.561 nan 8.150 nan 0.000 0.507 9 T N 2.587 117.054 114.554 -0.145 0.000 2.767 9 T HA 0.475 4.843 4.350 0.029 0.000 0.284 9 T C 0.503 175.125 174.700 -0.129 0.000 0.973 9 T CA 0.258 62.267 62.100 -0.151 0.000 0.996 9 T CB 1.233 69.964 68.868 -0.228 0.000 0.927 9 T HN 0.908 nan 8.240 nan 0.000 0.456 10 A N 5.321 128.103 122.820 -0.063 0.000 2.906 10 A HA 0.315 4.653 4.320 0.029 0.000 0.289 10 A C 0.532 178.203 177.584 0.144 0.000 1.675 10 A CA -0.263 51.773 52.037 -0.003 0.000 1.372 10 A CB -0.659 18.347 19.000 0.009 0.000 1.091 10 A HN 0.899 nan 8.150 nan 0.000 0.579 11 M N 3.897 123.541 119.600 0.073 0.000 2.219 11 M HA 0.268 4.766 4.480 0.029 0.000 0.353 11 M C 0.470 176.847 176.300 0.129 0.000 1.304 11 M CA -0.241 55.154 55.300 0.159 0.000 1.115 11 M CB 0.625 33.247 32.600 0.038 0.000 1.664 11 M HN 0.618 nan 8.290 nan 0.000 0.459 12 V N 2.948 122.944 119.914 0.136 0.000 3.139 12 V HA 0.210 4.347 4.120 0.029 0.000 0.307 12 V C 0.023 176.028 176.094 -0.148 0.000 1.095 12 V CA -0.212 62.029 62.300 -0.100 0.000 1.160 12 V CB 0.544 32.226 31.823 -0.235 0.000 1.003 12 V HN 0.862 nan 8.190 nan 0.000 0.489 13 T N 5.356 119.724 114.554 -0.310 0.000 2.801 13 T HA 0.445 4.813 4.350 0.029 0.000 0.306 13 T C -2.555 171.673 174.700 -0.788 0.000 1.020 13 T CA -0.854 60.973 62.100 -0.455 0.000 0.948 13 T CB 1.029 69.643 68.868 -0.423 0.000 0.962 13 T HN 0.731 nan 8.240 nan 0.000 0.465 14 P HA 0.235 nan 4.420 nan 0.000 0.268 14 P C -0.823 176.220 177.300 -0.428 0.000 1.204 14 P CA 0.042 62.892 63.100 -0.417 0.000 0.768 14 P CB 0.272 31.844 31.700 -0.213 0.000 0.842 15 F N 0.997 120.882 119.950 -0.108 0.000 2.546 15 F HA 0.288 4.832 4.527 0.028 0.000 0.320 15 F C 1.096 176.847 175.800 -0.080 0.000 1.076 15 F CA -1.054 56.883 58.000 -0.104 0.000 0.928 15 F CB 1.549 40.496 39.000 -0.088 0.000 1.189 15 F HN 0.295 nan 8.300 nan 0.000 0.465 16 D N 0.830 121.316 120.400 0.144 0.000 2.414 16 D HA 0.027 4.685 4.640 0.029 0.000 0.259 16 D C 1.006 177.330 176.300 0.041 0.000 1.269 16 D CA -0.322 53.713 54.000 0.058 0.000 1.028 16 D CB 0.554 41.373 40.800 0.032 0.000 1.093 16 D HN 0.457 nan 8.370 nan 0.000 0.545 17 I N -0.562 120.017 120.570 0.015 0.000 2.454 17 I HA -0.147 4.040 4.170 0.029 0.000 0.254 17 I C 0.932 177.039 176.117 -0.016 0.000 1.156 17 I CA 1.379 62.680 61.300 0.001 0.000 1.433 17 I CB -0.652 37.346 38.000 -0.003 0.000 1.082 17 I HN 0.363 nan 8.210 nan 0.000 0.432 18 N N 0.619 119.304 118.700 -0.025 0.000 2.313 18 N HA 0.237 4.995 4.740 0.029 0.000 0.207 18 N C 0.907 176.354 175.510 -0.104 0.000 1.141 18 N CA 0.697 53.716 53.050 -0.052 0.000 0.830 18 N CB 0.278 38.740 38.487 -0.041 0.000 1.008 18 N HN 0.459 nan 8.380 nan 0.000 0.481 19 G N 0.154 108.879 108.800 -0.125 0.000 2.160 19 G HA2 -0.321 3.657 3.960 0.029 0.000 0.251 19 G HA3 -0.321 3.657 3.960 0.029 0.000 0.251 19 G C -0.316 174.294 174.900 -0.484 0.000 1.008 19 G CA -0.021 44.879 45.100 -0.333 0.000 0.724 19 G HN 0.400 nan 8.290 nan 0.000 0.514 20 N N -0.711 117.871 118.700 -0.198 0.000 2.487 20 N HA 0.598 5.356 4.740 0.029 0.000 0.292 20 N C 0.639 176.182 175.510 0.054 0.000 1.108 20 N CA -0.790 52.190 53.050 -0.117 0.000 0.956 20 N CB 1.039 39.504 38.487 -0.038 0.000 1.176 20 N HN 0.219 nan 8.380 nan 0.000 0.484 21 I N 0.968 121.565 120.570 0.045 0.000 2.741 21 I HA -0.097 4.090 4.170 0.029 0.000 0.288 21 I C 0.191 176.161 176.117 -0.245 0.000 1.192 21 I CA 0.583 61.843 61.300 -0.067 0.000 1.426 21 I CB 0.127 37.843 38.000 -0.473 0.000 1.367 21 I HN 0.481 nan 8.210 nan 0.000 0.563 22 D N 7.019 127.303 120.400 -0.192 0.000 2.428 22 D HA 0.152 4.809 4.640 0.029 0.000 0.221 22 D C 0.521 176.691 176.300 -0.216 0.000 1.123 22 D CA -0.229 53.694 54.000 -0.127 0.000 0.869 22 D CB 0.544 41.323 40.800 -0.035 0.000 1.032 22 D HN 0.283 nan 8.370 nan 0.000 0.506 23 F N 2.450 122.326 119.950 -0.123 0.000 2.206 23 F HA 0.009 4.552 4.527 0.028 0.000 0.298 23 F C 2.522 178.251 175.800 -0.118 0.000 1.090 23 F CA 0.811 58.630 58.000 -0.302 0.000 1.323 23 F CB -0.324 38.342 39.000 -0.557 0.000 1.028 23 F HN 0.504 nan 8.300 nan 0.000 0.492 24 A N 0.030 122.932 122.820 0.136 0.000 1.908 24 A HA -0.245 4.093 4.320 0.029 0.000 0.218 24 A C 2.165 179.812 177.584 0.105 0.000 1.181 24 A CA 1.960 54.074 52.037 0.128 0.000 0.627 24 A CB -0.666 18.384 19.000 0.085 0.000 0.818 24 A HN 0.306 nan 8.150 nan 0.000 0.445 25 K N -1.105 119.327 120.400 0.053 0.000 2.103 25 K HA -0.061 4.276 4.320 0.029 0.000 0.204 25 K C 2.098 178.717 176.600 0.031 0.000 1.052 25 K CA 1.576 57.874 56.287 0.019 0.000 0.945 25 K CB -0.269 32.215 32.500 -0.026 0.000 0.722 25 K HN 0.478 nan 8.250 nan 0.000 0.443 26 T N 0.261 114.842 114.554 0.044 0.000 2.665 26 T HA -0.169 4.199 4.350 0.029 0.000 0.268 26 T C 1.692 176.493 174.700 0.168 0.000 1.035 26 T CA 2.002 64.159 62.100 0.096 0.000 1.151 26 T CB -0.504 68.442 68.868 0.130 0.000 0.862 26 T HN 0.332 nan 8.240 nan 0.000 0.438 27 T N 1.970 116.686 114.554 0.270 0.000 2.635 27 T HA -0.128 4.239 4.350 0.029 0.000 0.267 27 T C 2.019 176.779 174.700 0.099 0.000 1.040 27 T CA 1.294 63.495 62.100 0.169 0.000 1.156 27 T CB -0.249 68.739 68.868 0.200 0.000 0.863 27 T HN 0.424 nan 8.240 nan 0.000 0.430 28 K N 0.515 120.968 120.400 0.088 0.000 2.032 28 K HA -0.021 4.317 4.320 0.029 0.000 0.209 28 K C 2.310 178.958 176.600 0.079 0.000 1.048 28 K CA 0.999 57.326 56.287 0.066 0.000 0.927 28 K CB -0.404 32.117 32.500 0.036 0.000 0.712 28 K HN 0.235 nan 8.250 nan 0.000 0.441 29 L N 0.944 122.201 121.223 0.057 0.000 1.994 29 L HA -0.210 4.148 4.340 0.029 0.000 0.208 29 L C 2.263 179.202 176.870 0.115 0.000 1.071 29 L CA 1.445 56.326 54.840 0.068 0.000 0.745 29 L CB -0.382 41.696 42.059 0.031 0.000 0.892 29 L HN 0.043 nan 8.230 nan 0.000 0.431 30 V N 0.657 120.617 119.914 0.076 0.000 2.250 30 V HA -0.366 3.772 4.120 0.029 0.000 0.250 30 V C 2.311 178.437 176.094 0.054 0.000 1.060 30 V CA 2.264 64.594 62.300 0.050 0.000 1.030 30 V CB -0.836 31.001 31.823 0.023 0.000 0.643 30 V HN 0.545 nan 8.190 nan 0.000 0.445 31 N N -1.067 117.672 118.700 0.065 0.000 2.188 31 N HA -0.176 4.582 4.740 0.029 0.000 0.184 31 N C 1.745 177.301 175.510 0.077 0.000 1.018 31 N CA 1.738 54.821 53.050 0.054 0.000 0.858 31 N CB -0.439 38.078 38.487 0.050 0.000 0.989 31 N HN 0.712 nan 8.380 nan 0.000 0.426 32 Y N 1.809 122.105 120.300 -0.007 0.000 2.145 32 Y HA -0.116 4.451 4.550 0.028 0.000 0.286 32 Y C 2.246 178.133 175.900 -0.021 0.000 1.145 32 Y CA 1.402 59.497 58.100 -0.008 0.000 1.148 32 Y CB -0.448 38.012 38.460 -0.001 0.000 0.981 32 Y HN -0.055 nan 8.280 nan 0.000 0.507 33 L N -0.106 121.182 121.223 0.109 0.000 2.042 33 L HA -0.257 4.101 4.340 0.029 0.000 0.210 33 L C 2.462 179.266 176.870 -0.109 0.000 1.076 33 L CA 1.654 56.474 54.840 -0.032 0.000 0.749 33 L CB -0.565 41.495 42.059 0.001 0.000 0.893 33 L HN 0.340 nan 8.230 nan 0.000 0.432 34 I N -0.237 120.295 120.570 -0.064 0.000 2.286 34 I HA -0.286 3.902 4.170 0.029 0.000 0.248 34 I C 1.828 177.893 176.117 -0.086 0.000 1.115 34 I CA 1.268 62.531 61.300 -0.062 0.000 1.392 34 I CB -0.293 37.687 38.000 -0.033 0.000 1.065 34 I HN 0.247 nan 8.210 nan 0.000 0.418 35 D N 0.834 121.166 120.400 -0.115 0.000 2.371 35 D HA -0.079 4.579 4.640 0.029 0.000 0.221 35 D C 0.598 176.782 176.300 -0.194 0.000 0.986 35 D CA 0.782 54.701 54.000 -0.134 0.000 0.899 35 D CB 0.013 40.739 40.800 -0.124 0.000 0.902 35 D HN 0.255 nan 8.370 nan 0.000 0.530 36 N N -0.930 117.622 118.700 -0.248 0.000 2.610 36 N HA 0.261 5.019 4.740 0.029 0.000 0.307 36 N C 0.322 175.739 175.510 -0.155 0.000 1.813 36 N CA 0.324 53.220 53.050 -0.257 0.000 0.901 36 N CB 1.501 39.693 38.487 -0.492 0.000 1.354 36 N HN 0.157 nan 8.380 nan 0.000 0.491 37 G N 0.441 109.180 108.800 -0.102 0.000 2.195 37 G HA2 -0.258 3.720 3.960 0.029 0.000 0.246 37 G HA3 -0.258 3.720 3.960 0.029 0.000 0.246 37 G C 0.294 175.166 174.900 -0.048 0.000 0.984 37 G CA -0.027 45.037 45.100 -0.060 0.000 0.633 37 G HN 0.324 nan 8.290 nan 0.000 0.525 38 T N 1.874 116.388 114.554 -0.066 0.000 2.779 38 T HA 0.456 4.823 4.350 0.029 0.000 0.296 38 T C 1.615 176.294 174.700 -0.034 0.000 0.938 38 T CA 0.905 62.969 62.100 -0.059 0.000 1.119 38 T CB 1.201 70.019 68.868 -0.084 0.000 0.891 38 T HN 0.683 nan 8.240 nan 0.000 0.526 39 T N 0.082 114.630 114.554 -0.011 0.000 3.022 39 T HA 0.600 4.967 4.350 0.029 0.000 0.250 39 T C 0.474 175.191 174.700 0.029 0.000 1.060 39 T CA -0.042 62.068 62.100 0.016 0.000 1.013 39 T CB 0.371 69.267 68.868 0.047 0.000 0.982 39 T HN 0.677 nan 8.240 nan 0.000 0.508 40 A N 0.793 123.609 122.820 -0.007 0.000 2.605 40 A HA 0.678 5.016 4.320 0.029 0.000 0.294 40 A C -1.641 175.884 177.584 -0.099 0.000 1.062 40 A CA -0.930 51.092 52.037 -0.026 0.000 0.682 40 A CB 1.092 20.093 19.000 0.002 0.000 1.278 40 A HN 0.283 nan 8.150 nan 0.000 0.410 41 I N 2.025 122.530 120.570 -0.108 0.000 2.389 41 I HA 0.360 4.547 4.170 0.029 0.000 0.288 41 I C -0.591 175.434 176.117 -0.153 0.000 0.999 41 I CA -0.650 60.581 61.300 -0.115 0.000 1.129 41 I CB 1.556 39.516 38.000 -0.067 0.000 1.288 41 I HN 0.345 nan 8.210 nan 0.000 0.444 42 V N 7.131 126.947 119.914 -0.163 0.000 2.383 42 V HA 0.286 4.423 4.120 0.029 0.000 0.275 42 V C 0.221 176.269 176.094 -0.076 0.000 1.036 42 V CA -0.606 61.595 62.300 -0.164 0.000 0.889 42 V CB 1.550 33.248 31.823 -0.209 0.000 0.985 42 V HN 0.462 nan 8.190 nan 0.000 0.459 43 V N 2.516 122.401 119.914 -0.049 0.000 2.435 43 V HA 0.809 4.947 4.120 0.029 0.000 0.290 43 V C 1.090 177.263 176.094 0.133 0.000 1.030 43 V CA -0.048 62.285 62.300 0.054 0.000 0.881 43 V CB 0.686 32.595 31.823 0.143 0.000 0.983 43 V HN 1.166 nan 8.190 nan 0.000 0.445 44 G N 2.848 111.734 108.800 0.142 0.000 2.246 44 G HA2 -0.096 3.881 3.960 0.029 0.000 0.273 44 G HA3 -0.096 3.881 3.960 0.029 0.000 0.273 44 G C 0.452 175.441 174.900 0.149 0.000 1.055 44 G CA 0.231 45.439 45.100 0.180 0.000 0.851 44 G HN 1.450 nan 8.290 nan 0.000 0.500 45 G N -1.477 107.375 108.800 0.087 0.000 2.531 45 G HA2 0.564 4.542 3.960 0.029 0.000 0.281 45 G HA3 0.564 4.542 3.960 0.029 0.000 0.281 45 G C 1.232 176.188 174.900 0.094 0.000 1.382 45 G CA 0.865 46.020 45.100 0.091 0.000 1.045 45 G HN 0.485 nan 8.290 nan 0.000 0.533 46 T N 0.388 115.018 114.554 0.126 0.000 2.620 46 T HA -0.219 4.149 4.350 0.029 0.000 0.267 46 T C 2.531 177.269 174.700 0.063 0.000 1.044 46 T CA 2.383 64.549 62.100 0.109 0.000 1.161 46 T CB -0.692 68.281 68.868 0.173 0.000 0.862 46 T HN 0.470 nan 8.240 nan 0.000 0.438 47 T N 0.818 115.406 114.554 0.056 0.000 2.915 47 T HA 0.037 4.404 4.350 0.029 0.000 0.269 47 T C 2.000 176.682 174.700 -0.030 0.000 1.071 47 T CA 1.104 63.210 62.100 0.010 0.000 1.132 47 T CB -0.464 68.422 68.868 0.029 0.000 0.878 47 T HN 0.541 nan 8.240 nan 0.000 0.479 48 G N 0.561 109.358 108.800 -0.005 0.000 3.088 48 G HA2 0.191 4.169 3.960 0.029 0.000 0.212 48 G HA3 0.191 4.169 3.960 0.029 0.000 0.212 48 G C 0.054 174.946 174.900 -0.012 0.000 1.173 48 G CA -0.326 44.755 45.100 -0.031 0.000 0.779 48 G HN 0.562 nan 8.290 nan 0.000 0.540 49 E N -0.090 120.120 120.200 0.018 0.000 2.340 49 E HA -0.273 4.094 4.350 0.029 0.000 0.240 49 E C 1.790 178.438 176.600 0.079 0.000 1.154 49 E CA 0.256 56.692 56.400 0.059 0.000 0.717 49 E CB -1.610 28.163 29.700 0.121 0.000 1.250 49 E HN 0.605 nan 8.360 nan 0.000 0.386 50 S N -0.741 115.003 115.700 0.073 0.000 2.374 50 S HA -0.148 4.340 4.470 0.029 0.000 0.227 50 S C -0.560 174.076 174.600 0.060 0.000 1.037 50 S CA 1.340 59.592 58.200 0.087 0.000 1.024 50 S CB -0.683 62.589 63.200 0.121 0.000 0.861 50 S HN 0.186 nan 8.310 nan 0.000 0.456 51 P HA -0.053 nan 4.420 nan 0.000 0.217 51 P C 1.405 178.703 177.300 -0.004 0.000 1.148 51 P CA 1.912 65.001 63.100 -0.018 0.000 0.828 51 P CB -0.500 31.157 31.700 -0.072 0.000 0.783 52 T N -4.977 109.586 114.554 0.014 0.000 3.145 52 T HA 0.256 4.624 4.350 0.029 0.000 0.255 52 T C 0.321 175.023 174.700 0.004 0.000 1.039 52 T CA -0.225 61.874 62.100 -0.002 0.000 0.928 52 T CB -0.357 68.503 68.868 -0.013 0.000 1.029 52 T HN -0.227 nan 8.240 nan 0.000 0.554 53 L N 3.516 124.759 121.223 0.034 0.000 2.309 53 L HA 0.513 4.871 4.340 0.029 0.000 0.282 53 L C 0.889 177.766 176.870 0.011 0.000 1.036 53 L CA -0.515 54.343 54.840 0.030 0.000 0.806 53 L CB 1.425 43.517 42.059 0.056 0.000 1.220 53 L HN 0.400 nan 8.230 nan 0.000 0.429 54 T N -1.243 113.307 114.554 -0.005 0.000 2.868 54 T HA 0.109 4.476 4.350 0.029 0.000 0.292 54 T C 1.365 176.059 174.700 -0.010 0.000 1.028 54 T CA 0.150 62.247 62.100 -0.005 0.000 1.059 54 T CB 0.724 69.585 68.868 -0.012 0.000 0.991 54 T HN 0.556 nan 8.240 nan 0.000 0.531 55 S N 0.578 116.278 115.700 -0.000 0.000 2.383 55 S HA -0.175 4.313 4.470 0.029 0.000 0.229 55 S C 1.710 176.287 174.600 -0.038 0.000 1.030 55 S CA 1.791 59.988 58.200 -0.005 0.000 1.002 55 S CB -0.654 62.557 63.200 0.018 0.000 0.829 55 S HN 0.813 nan 8.310 nan 0.000 0.467 56 E N 0.992 121.178 120.200 -0.024 0.000 2.072 56 E HA -0.006 4.362 4.350 0.029 0.000 0.190 56 E C 2.179 178.759 176.600 -0.033 0.000 0.982 56 E CA 1.231 57.617 56.400 -0.023 0.000 0.803 56 E CB -0.245 29.452 29.700 -0.005 0.000 0.755 56 E HN 0.643 nan 8.360 nan 0.000 0.453 57 E N 0.812 120.997 120.200 -0.024 0.000 2.085 57 E HA -0.202 4.166 4.350 0.029 0.000 0.194 57 E C 1.884 178.433 176.600 -0.085 0.000 0.994 57 E CA 1.082 57.477 56.400 -0.010 0.000 0.801 57 E CB -0.052 29.649 29.700 0.002 0.000 0.743 57 E HN 0.166 nan 8.360 nan 0.000 0.453 58 K N 0.384 120.674 120.400 -0.183 0.000 2.009 58 K HA -0.141 4.197 4.320 0.029 0.000 0.210 58 K C 2.216 178.258 176.600 -0.930 0.000 1.049 58 K CA 1.374 57.381 56.287 -0.468 0.000 0.929 58 K CB -0.210 32.055 32.500 -0.391 0.000 0.714 58 K HN -0.016 nan 8.250 nan 0.000 0.440 59 V N 1.430 120.987 119.914 -0.595 0.000 2.407 59 V HA -0.257 3.880 4.120 0.029 0.000 0.248 59 V C 2.348 178.367 176.094 -0.124 0.000 1.055 59 V CA 2.004 64.076 62.300 -0.380 0.000 1.049 59 V CB -0.713 31.052 31.823 -0.098 0.000 0.662 59 V HN 0.382 nan 8.190 nan 0.000 0.455 60 A N -0.318 122.477 122.820 -0.042 0.000 1.933 60 A HA -0.190 4.148 4.320 0.029 0.000 0.218 60 A C 2.151 179.886 177.584 0.252 0.000 1.175 60 A CA 2.013 54.114 52.037 0.108 0.000 0.628 60 A CB -0.502 18.602 19.000 0.173 0.000 0.814 60 A HN 0.441 nan 8.150 nan 0.000 0.444 61 L N -1.195 120.120 121.223 0.153 0.000 2.027 61 L HA -0.102 4.256 4.340 0.029 0.000 0.206 61 L C 2.337 179.374 176.870 0.278 0.000 1.074 61 L CA 1.815 56.775 54.840 0.201 0.000 0.745 61 L CB -1.013 41.073 42.059 0.045 0.000 0.898 61 L HN 0.475 nan 8.230 nan 0.000 0.433 62 Y N 0.224 120.604 120.300 0.133 0.000 2.069 62 Y HA -0.302 4.270 4.550 0.037 0.000 0.278 62 Y C 2.936 178.898 175.900 0.103 0.000 1.175 62 Y CA 1.763 59.920 58.100 0.095 0.000 1.134 62 Y CB -1.344 37.158 38.460 0.070 0.000 0.965 62 Y HN 0.262 nan 8.280 nan 0.000 0.498 63 R N -0.678 119.988 120.500 0.277 0.000 2.083 63 R HA -0.208 4.149 4.340 0.029 0.000 0.237 63 R C 2.388 178.804 176.300 0.193 0.000 1.137 63 R CA 1.730 57.942 56.100 0.187 0.000 0.951 63 R CB -0.686 29.696 30.300 0.138 0.000 0.851 63 R HN 0.519 nan 8.270 nan 0.000 0.434 64 H N -0.218 118.946 119.070 0.157 0.000 2.289 64 H HA -0.122 4.451 4.556 0.029 0.000 0.296 64 H C 1.944 177.354 175.328 0.136 0.000 1.091 64 H CA 2.162 58.308 56.048 0.164 0.000 1.274 64 H CB 0.169 30.133 29.762 0.336 0.000 1.364 64 H HN 0.119 nan 8.280 nan 0.000 0.490 65 V N 0.467 120.455 119.914 0.124 0.000 2.358 65 V HA -0.208 3.930 4.120 0.029 0.000 0.246 65 V C 2.886 178.981 176.094 0.001 0.000 1.047 65 V CA 1.235 63.552 62.300 0.028 0.000 1.035 65 V CB -0.489 31.396 31.823 0.104 0.000 0.658 65 V HN 0.252 nan 8.190 nan 0.000 0.452 66 V N 0.223 120.164 119.914 0.045 0.000 2.324 66 V HA -0.308 3.830 4.120 0.029 0.000 0.250 66 V C 2.739 178.829 176.094 -0.007 0.000 1.060 66 V CA 2.607 64.921 62.300 0.024 0.000 1.042 66 V CB -0.763 31.089 31.823 0.047 0.000 0.650 66 V HN 0.685 nan 8.190 nan 0.000 0.450 67 S N -0.780 114.907 115.700 -0.022 0.000 2.355 67 S HA -0.146 4.341 4.470 0.029 0.000 0.222 67 S C 1.975 176.523 174.600 -0.088 0.000 1.031 67 S CA 1.867 60.040 58.200 -0.045 0.000 0.993 67 S CB -0.163 63.018 63.200 -0.032 0.000 0.859 67 S HN 0.299 nan 8.310 nan 0.000 0.453 68 V N 1.669 121.479 119.914 -0.173 0.000 2.261 68 V HA -0.118 4.019 4.120 0.029 0.000 0.246 68 V C 2.629 178.679 176.094 -0.074 0.000 1.047 68 V CA 1.851 64.056 62.300 -0.157 0.000 1.015 68 V CB -0.776 30.902 31.823 -0.242 0.000 0.642 68 V HN 0.462 nan 8.190 nan 0.000 0.446 69 V N -0.228 119.652 119.914 -0.057 0.000 2.324 69 V HA -0.268 3.870 4.120 0.029 0.000 0.250 69 V C 1.446 177.528 176.094 -0.021 0.000 1.060 69 V CA 1.919 64.202 62.300 -0.029 0.000 1.042 69 V CB -0.870 30.942 31.823 -0.018 0.000 0.650 69 V HN 0.890 nan 8.190 nan 0.000 0.450 70 D N -0.388 120.000 120.400 -0.020 0.000 2.699 70 D HA -0.239 4.419 4.640 0.029 0.000 0.239 70 D C 0.775 177.070 176.300 -0.007 0.000 1.136 70 D CA 0.819 54.811 54.000 -0.013 0.000 0.668 70 D CB -0.863 39.928 40.800 -0.014 0.000 1.060 70 D HN 0.486 nan 8.370 nan 0.000 0.429 71 K N -1.562 118.836 120.400 -0.004 0.000 3.363 71 K HA -0.298 4.040 4.320 0.029 0.000 0.313 71 K C 1.445 178.044 176.600 -0.001 0.000 1.259 71 K CA 1.478 57.764 56.287 -0.001 0.000 0.942 71 K CB -1.366 31.134 32.500 -0.001 0.000 1.229 71 K HN 0.599 nan 8.250 nan 0.000 0.440 72 R N 0.244 120.741 120.500 -0.004 0.000 2.193 72 R HA -0.009 4.349 4.340 0.029 0.000 0.229 72 R C 0.895 177.195 176.300 -0.001 0.000 1.110 72 R CA 1.077 57.174 56.100 -0.005 0.000 0.988 72 R CB 0.202 30.497 30.300 -0.009 0.000 0.871 72 R HN 0.039 nan 8.270 nan 0.000 0.458 73 V N 0.214 120.131 119.914 0.004 0.000 3.023 73 V HA 0.203 4.340 4.120 0.029 0.000 0.294 73 V C -2.586 173.524 176.094 0.028 0.000 1.324 73 V CA -2.030 60.279 62.300 0.014 0.000 0.979 73 V CB 2.640 34.464 31.823 0.001 0.000 1.093 73 V HN -0.097 nan 8.190 nan 0.000 0.434 74 P HA 0.321 nan 4.420 nan 0.000 0.271 74 P C -1.210 176.114 177.300 0.040 0.000 1.218 74 P CA -0.070 63.088 63.100 0.097 0.000 0.780 74 P CB 0.692 32.542 31.700 0.249 0.000 0.901 75 V N 4.472 124.393 119.914 0.012 0.000 2.409 75 V HA 0.401 4.539 4.120 0.029 0.000 0.291 75 V C 0.146 176.182 176.094 -0.097 0.000 1.020 75 V CA -0.373 61.900 62.300 -0.046 0.000 0.848 75 V CB 1.118 32.925 31.823 -0.028 0.000 0.990 75 V HN 0.365 nan 8.190 nan 0.000 0.430 76 I N 4.063 124.527 120.570 -0.175 0.000 2.389 76 I HA 0.721 4.909 4.170 0.029 0.000 0.288 76 I C 0.287 176.255 176.117 -0.247 0.000 0.999 76 I CA -0.627 60.525 61.300 -0.246 0.000 1.129 76 I CB 1.884 39.641 38.000 -0.404 0.000 1.288 76 I HN 0.633 nan 8.210 nan 0.000 0.444 77 A N 4.264 126.898 122.820 -0.309 0.000 2.260 77 A HA 0.644 4.981 4.320 0.029 0.000 0.314 77 A C 0.602 178.029 177.584 -0.262 0.000 1.257 77 A CA -0.531 51.218 52.037 -0.479 0.000 0.871 77 A CB 0.682 19.110 19.000 -0.953 0.000 1.166 77 A HN 0.909 nan 8.150 nan 0.000 0.522 78 G N 1.986 110.723 108.800 -0.105 0.000 2.916 78 G HA2 0.327 4.305 3.960 0.029 0.000 0.280 78 G HA3 0.327 4.305 3.960 0.029 0.000 0.280 78 G C 0.862 175.838 174.900 0.127 0.000 0.758 78 G CA 0.563 45.686 45.100 0.039 0.000 1.993 78 G HN 0.961 nan 8.290 nan 0.000 0.564 79 T N -0.535 114.069 114.554 0.085 0.000 3.054 79 T HA 0.177 4.544 4.350 0.029 0.000 0.259 79 T C 1.410 176.204 174.700 0.157 0.000 1.092 79 T CA 0.312 62.497 62.100 0.142 0.000 1.121 79 T CB 0.452 69.367 68.868 0.079 0.000 0.912 79 T HN 0.378 nan 8.240 nan 0.000 0.489 80 G N 1.719 110.622 108.800 0.171 0.000 2.406 80 G HA2 0.470 4.448 3.960 0.029 0.000 0.251 80 G HA3 0.470 4.448 3.960 0.029 0.000 0.251 80 G C -0.090 174.948 174.900 0.230 0.000 1.271 80 G CA -0.076 45.147 45.100 0.205 0.000 0.859 80 G HN 0.649 nan 8.290 nan 0.000 0.540 81 S N -0.105 115.705 115.700 0.183 0.000 2.841 81 S HA 0.299 4.786 4.470 0.029 0.000 0.318 81 S C 1.083 175.589 174.600 -0.157 0.000 1.127 81 S CA -0.359 57.914 58.200 0.122 0.000 0.883 81 S CB 1.245 64.551 63.200 0.178 0.000 1.271 81 S HN 0.762 nan 8.310 nan 0.000 0.567 82 N N -0.087 118.289 118.700 -0.541 0.000 2.571 82 N HA -0.089 4.668 4.740 0.029 0.000 0.189 82 N C 0.041 175.436 175.510 -0.193 0.000 1.154 82 N CA 0.152 52.864 53.050 -0.563 0.000 0.907 82 N CB -0.258 37.760 38.487 -0.782 0.000 0.977 82 N HN 0.475 nan 8.380 nan 0.000 0.449 83 N N 0.372 119.058 118.700 -0.024 0.000 2.446 83 N HA 0.152 4.910 4.740 0.029 0.000 0.265 83 N C 0.188 175.774 175.510 0.126 0.000 0.975 83 N CA -0.376 52.712 53.050 0.063 0.000 0.928 83 N CB 1.704 40.234 38.487 0.071 0.000 1.160 83 N HN -0.083 nan 8.380 nan 0.000 0.495 84 T N 2.241 116.886 114.554 0.150 0.000 2.701 84 T HA -0.103 4.265 4.350 0.029 0.000 0.263 84 T C 0.957 175.645 174.700 -0.019 0.000 1.040 84 T CA 1.502 63.627 62.100 0.041 0.000 1.147 84 T CB -0.396 68.482 68.868 0.016 0.000 0.865 84 T HN 0.610 nan 8.240 nan 0.000 0.426 85 H N 1.134 120.199 119.070 -0.009 0.000 2.387 85 H HA 0.217 4.798 4.556 0.042 0.000 0.299 85 H C 2.386 177.717 175.328 0.005 0.000 1.090 85 H CA 1.215 57.258 56.048 -0.008 0.000 1.332 85 H CB -0.456 29.306 29.762 0.001 0.000 1.386 85 H HN 0.389 nan 8.280 nan 0.000 0.516 86 A N -0.197 122.708 122.820 0.141 0.000 1.969 86 A HA -0.141 4.197 4.320 0.029 0.000 0.218 86 A C 2.429 180.060 177.584 0.079 0.000 1.169 86 A CA 1.589 53.686 52.037 0.100 0.000 0.635 86 A CB -0.459 18.599 19.000 0.095 0.000 0.810 86 A HN 0.355 nan 8.150 nan 0.000 0.445 87 S N -0.017 115.719 115.700 0.059 0.000 2.368 87 S HA -0.093 4.394 4.470 0.029 0.000 0.224 87 S C 1.798 176.401 174.600 0.005 0.000 1.029 87 S CA 1.309 59.532 58.200 0.039 0.000 0.988 87 S CB -0.476 62.724 63.200 0.000 0.000 0.838 87 S HN 0.556 nan 8.310 nan 0.000 0.462 88 I N 2.039 122.585 120.570 -0.039 0.000 2.118 88 I HA -0.269 3.919 4.170 0.029 0.000 0.241 88 I C 2.114 178.238 176.117 0.012 0.000 1.070 88 I CA 1.430 62.706 61.300 -0.041 0.000 1.327 88 I CB -0.627 37.316 38.000 -0.095 0.000 1.034 88 I HN 0.205 nan 8.210 nan 0.000 0.405 89 D N 0.711 121.135 120.400 0.039 0.000 2.092 89 D HA -0.197 4.461 4.640 0.029 0.000 0.193 89 D C 2.006 178.349 176.300 0.071 0.000 0.994 89 D CA 1.208 55.241 54.000 0.056 0.000 0.828 89 D CB -0.491 40.348 40.800 0.065 0.000 0.963 89 D HN 0.162 nan 8.370 nan 0.000 0.450 90 L N 0.883 122.159 121.223 0.089 0.000 2.046 90 L HA -0.121 4.236 4.340 0.029 0.000 0.208 90 L C 2.190 179.146 176.870 0.143 0.000 1.077 90 L CA 1.726 56.647 54.840 0.136 0.000 0.747 90 L CB -0.994 41.163 42.059 0.164 0.000 0.896 90 L HN -0.032 nan 8.230 nan 0.000 0.432 91 T N -0.234 114.373 114.554 0.088 0.000 2.759 91 T HA -0.182 4.185 4.350 0.029 0.000 0.269 91 T C 1.855 176.585 174.700 0.050 0.000 1.042 91 T CA 1.544 63.675 62.100 0.053 0.000 1.140 91 T CB -0.120 68.761 68.868 0.021 0.000 0.864 91 T HN 0.375 nan 8.240 nan 0.000 0.455 92 K N 1.206 121.636 120.400 0.051 0.000 2.025 92 K HA -0.022 4.316 4.320 0.029 0.000 0.207 92 K C 2.366 179.005 176.600 0.066 0.000 1.049 92 K CA 1.043 57.358 56.287 0.046 0.000 0.933 92 K CB -0.217 32.306 32.500 0.038 0.000 0.714 92 K HN 0.261 nan 8.250 nan 0.000 0.438 93 K N 0.740 121.193 120.400 0.089 0.000 2.152 93 K HA -0.126 4.212 4.320 0.029 0.000 0.206 93 K C 2.082 178.777 176.600 0.159 0.000 1.048 93 K CA 1.362 57.716 56.287 0.111 0.000 0.933 93 K CB -0.083 32.486 32.500 0.114 0.000 0.721 93 K HN 0.178 nan 8.250 nan 0.000 0.447 94 A N 0.165 123.094 122.820 0.181 0.000 1.903 94 A HA -0.062 4.276 4.320 0.029 0.000 0.213 94 A C 2.127 179.754 177.584 0.072 0.000 1.185 94 A CA 1.409 53.556 52.037 0.183 0.000 0.628 94 A CB -0.682 18.324 19.000 0.011 0.000 0.830 94 A HN 0.183 nan 8.150 nan 0.000 0.446 95 T N 0.200 114.780 114.554 0.044 0.000 2.653 95 T HA -0.171 4.197 4.350 0.029 0.000 0.268 95 T C 1.782 176.507 174.700 0.041 0.000 1.035 95 T CA 1.715 63.833 62.100 0.030 0.000 1.154 95 T CB -0.235 68.648 68.868 0.026 0.000 0.862 95 T HN 0.430 nan 8.240 nan 0.000 0.441 96 E N 0.751 120.984 120.200 0.055 0.000 2.274 96 E HA -0.046 4.322 4.350 0.029 0.000 0.194 96 E C 2.089 178.726 176.600 0.060 0.000 0.996 96 E CA 0.643 57.075 56.400 0.052 0.000 0.840 96 E CB -0.032 29.698 29.700 0.051 0.000 0.772 96 E HN 0.545 nan 8.360 nan 0.000 0.491 97 V N -3.309 116.656 119.914 0.085 0.000 3.577 97 V HA 0.419 4.557 4.120 0.029 0.000 0.294 97 V C 1.110 177.249 176.094 0.075 0.000 1.317 97 V CA 0.547 62.901 62.300 0.091 0.000 1.169 97 V CB -0.120 31.785 31.823 0.137 0.000 1.011 97 V HN 0.177 nan 8.190 nan 0.000 0.426 98 G N 0.475 109.307 108.800 0.053 0.000 2.141 98 G HA2 -0.193 3.785 3.960 0.029 0.000 0.231 98 G HA3 -0.193 3.785 3.960 0.029 0.000 0.231 98 G C 0.209 175.123 174.900 0.023 0.000 0.984 98 G CA 0.297 45.418 45.100 0.035 0.000 0.660 98 G HN 1.713 nan 8.290 nan 0.000 0.525 99 V N -2.380 117.541 119.914 0.012 0.000 3.287 99 V HA 0.467 4.604 4.120 0.029 0.000 0.306 99 V C 1.086 177.175 176.094 -0.009 0.000 1.103 99 V CA 0.938 63.225 62.300 -0.022 0.000 1.159 99 V CB 0.989 32.752 31.823 -0.101 0.000 1.036 99 V HN 0.124 nan 8.190 nan 0.000 0.487 100 D N 1.441 121.840 120.400 -0.001 0.000 2.380 100 D HA 0.437 5.094 4.640 0.029 0.000 0.212 100 D C 0.605 176.942 176.300 0.062 0.000 1.021 100 D CA 1.435 55.457 54.000 0.037 0.000 0.884 100 D CB 1.224 42.064 40.800 0.068 0.000 1.001 100 D HN 0.964 nan 8.370 nan 0.000 0.506 101 A N 0.362 123.203 122.820 0.034 0.000 2.581 101 A HA 0.570 4.908 4.320 0.029 0.000 0.290 101 A C -1.317 176.225 177.584 -0.069 0.000 1.119 101 A CA -0.652 51.405 52.037 0.033 0.000 0.670 101 A CB 1.466 20.562 19.000 0.160 0.000 1.280 101 A HN -0.038 nan 8.150 nan 0.000 0.425 102 V N -1.878 118.001 119.914 -0.058 0.000 2.823 102 V HA 0.852 4.990 4.120 0.029 0.000 0.312 102 V C -0.307 175.743 176.094 -0.073 0.000 1.072 102 V CA -0.696 61.551 62.300 -0.088 0.000 0.937 102 V CB 1.657 33.452 31.823 -0.047 0.000 1.013 102 V HN 1.073 nan 8.190 nan 0.000 0.430 103 M N 4.400 123.953 119.600 -0.078 0.000 2.336 103 M HA 0.662 5.159 4.480 0.029 0.000 0.342 103 M C -1.647 174.713 176.300 0.100 0.000 1.128 103 M CA -0.677 54.605 55.300 -0.030 0.000 1.016 103 M CB 1.531 34.067 32.600 -0.106 0.000 1.665 103 M HN 0.752 nan 8.290 nan 0.000 0.445 104 L N 5.455 126.789 121.223 0.186 0.000 2.342 104 L HA 0.506 4.864 4.340 0.029 0.000 0.276 104 L C -0.575 176.591 176.870 0.494 0.000 0.997 104 L CA -0.878 54.173 54.840 0.352 0.000 0.838 104 L CB 1.598 43.925 42.059 0.447 0.000 1.224 104 L HN 0.430 nan 8.230 nan 0.000 0.416 105 V N 3.614 123.802 119.914 0.457 0.000 2.583 105 V HA 0.482 4.620 4.120 0.029 0.000 0.287 105 V C 0.854 177.157 176.094 0.348 0.000 1.051 105 V CA -0.446 62.070 62.300 0.361 0.000 1.010 105 V CB 1.591 33.582 31.823 0.280 0.000 0.988 105 V HN 0.888 nan 8.190 nan 0.000 0.478 106 A N 8.807 131.818 122.820 0.319 0.000 2.583 106 A HA 0.225 4.563 4.320 0.029 0.000 0.249 106 A C -2.219 175.312 177.584 -0.088 0.000 1.035 106 A CA -0.489 51.655 52.037 0.178 0.000 0.777 106 A CB -0.779 18.290 19.000 0.115 0.000 0.942 106 A HN 0.791 nan 8.150 nan 0.000 0.516 107 P HA 0.116 nan 4.420 nan 0.000 0.261 107 P C -0.588 176.517 177.300 -0.325 0.000 1.183 107 P CA 0.789 63.573 63.100 -0.526 0.000 0.761 107 P CB -0.050 31.289 31.700 -0.602 0.000 0.785 108 Y N 2.082 122.370 120.300 -0.020 0.000 2.392 108 Y HA 0.374 4.943 4.550 0.032 0.000 0.323 108 Y C 1.541 177.514 175.900 0.121 0.000 1.291 108 Y CA -1.109 57.013 58.100 0.037 0.000 1.345 108 Y CB -0.033 38.455 38.460 0.046 0.000 1.320 108 Y HN 0.443 nan 8.280 nan 0.000 0.518 109 Y N 0.994 121.399 120.300 0.175 0.000 2.818 109 Y HA -0.468 4.098 4.550 0.027 0.000 0.487 109 Y C 1.439 177.357 175.900 0.030 0.000 1.146 109 Y CA 2.453 60.622 58.100 0.115 0.000 2.839 109 Y CB -1.657 36.916 38.460 0.188 0.000 0.893 109 Y HN 0.858 nan 8.280 nan 0.000 0.545 110 N N 1.197 119.855 118.700 -0.071 0.000 2.467 110 N HA 0.004 4.762 4.740 0.029 0.000 0.184 110 N C -0.159 175.264 175.510 -0.145 0.000 1.106 110 N CA 1.174 54.117 53.050 -0.177 0.000 0.892 110 N CB -0.239 38.178 38.487 -0.117 0.000 0.969 110 N HN 0.551 nan 8.380 nan 0.000 0.454 111 K N 0.805 121.141 120.400 -0.106 0.000 3.653 111 K HA -0.098 4.239 4.320 0.029 0.000 0.275 111 K C -2.109 174.443 176.600 -0.081 0.000 0.962 111 K CA 0.441 56.680 56.287 -0.081 0.000 0.773 111 K CB -1.478 30.979 32.500 -0.072 0.000 1.463 111 K HN 0.479 nan 8.250 nan 0.000 0.450 112 P HA 0.065 nan 4.420 nan 0.000 0.274 112 P C 0.259 177.531 177.300 -0.046 0.000 1.246 112 P CA -0.307 62.740 63.100 -0.087 0.000 0.795 112 P CB 0.793 32.406 31.700 -0.145 0.000 1.006 113 S N 0.354 116.040 115.700 -0.023 0.000 2.671 113 S HA 0.123 4.611 4.470 0.029 0.000 0.272 113 S C 1.296 175.913 174.600 0.029 0.000 1.174 113 S CA -0.575 57.626 58.200 0.002 0.000 1.004 113 S CB 0.430 63.633 63.200 0.006 0.000 1.077 113 S HN 0.393 nan 8.310 nan 0.000 0.553 114 Q N 0.160 119.987 119.800 0.045 0.000 2.123 114 Q HA -0.062 4.296 4.340 0.029 0.000 0.199 114 Q C 1.923 177.998 176.000 0.124 0.000 0.966 114 Q CA 1.559 57.411 55.803 0.082 0.000 0.845 114 Q CB -0.588 28.186 28.738 0.060 0.000 0.907 114 Q HN 0.865 nan 8.270 nan 0.000 0.439 115 E N 0.389 120.643 120.200 0.090 0.000 2.107 115 E HA -0.067 4.300 4.350 0.029 0.000 0.191 115 E C 1.944 178.635 176.600 0.152 0.000 0.982 115 E CA 1.327 57.800 56.400 0.121 0.000 0.809 115 E CB -0.605 29.130 29.700 0.058 0.000 0.756 115 E HN 0.340 nan 8.360 nan 0.000 0.459 116 G N 0.435 109.285 108.800 0.083 0.000 2.418 116 G HA2 -0.257 3.721 3.960 0.029 0.000 0.217 116 G HA3 -0.257 3.721 3.960 0.029 0.000 0.217 116 G C 1.661 176.581 174.900 0.033 0.000 1.158 116 G CA 1.054 46.182 45.100 0.048 0.000 0.771 116 G HN 0.245 nan 8.290 nan 0.000 0.545 117 M N -0.905 118.717 119.600 0.036 0.000 2.117 117 M HA -0.013 4.485 4.480 0.029 0.000 0.262 117 M C 2.378 178.796 176.300 0.197 0.000 1.065 117 M CA 1.249 56.556 55.300 0.012 0.000 1.114 117 M CB -0.424 32.246 32.600 0.116 0.000 1.361 117 M HN 0.336 nan 8.290 nan 0.000 0.408 118 Y N 1.679 122.080 120.300 0.169 0.000 2.114 118 Y HA -0.327 4.268 4.550 0.074 0.000 0.282 118 Y C 2.476 178.461 175.900 0.142 0.000 1.165 118 Y CA 1.852 60.061 58.100 0.183 0.000 1.148 118 Y CB -0.247 38.276 38.460 0.105 0.000 0.972 118 Y HN 0.225 nan 8.280 nan 0.000 0.504 119 Q N -1.086 118.742 119.800 0.046 0.000 2.230 119 Q HA -0.177 4.180 4.340 0.029 0.000 0.202 119 Q C 2.079 178.020 176.000 -0.098 0.000 0.963 119 Q CA 1.709 57.479 55.803 -0.054 0.000 0.866 119 Q CB -0.679 28.093 28.738 0.057 0.000 0.931 119 Q HN 0.740 nan 8.270 nan 0.000 0.452 120 H N 0.167 119.122 119.070 -0.191 0.000 2.256 120 H HA -0.140 4.445 4.556 0.047 0.000 0.299 120 H C 1.552 176.725 175.328 -0.259 0.000 1.071 120 H CA 2.005 57.877 56.048 -0.294 0.000 1.280 120 H CB -0.262 29.198 29.762 -0.504 0.000 1.370 120 H HN 0.085 nan 8.280 nan 0.000 0.490 121 F N 1.109 121.011 119.950 -0.081 0.000 2.102 121 F HA -0.095 4.423 4.527 -0.015 0.000 0.298 121 F C 2.723 178.398 175.800 -0.208 0.000 1.105 121 F CA 1.640 59.559 58.000 -0.134 0.000 1.239 121 F CB -0.774 38.219 39.000 -0.010 0.000 0.991 121 F HN 0.216 nan 8.300 nan 0.000 0.474 122 K N 0.525 120.844 120.400 -0.136 0.000 2.059 122 K HA -0.264 4.073 4.320 0.029 0.000 0.212 122 K C 2.220 178.735 176.600 -0.143 0.000 1.050 122 K CA 1.734 57.887 56.287 -0.223 0.000 0.927 122 K CB -0.415 31.819 32.500 -0.444 0.000 0.714 122 K HN 0.208 nan 8.250 nan 0.000 0.447 123 A N 0.999 123.718 122.820 -0.167 0.000 1.873 123 A HA -0.106 4.232 4.320 0.029 0.000 0.215 123 A C 2.145 179.635 177.584 -0.156 0.000 1.186 123 A CA 1.634 53.574 52.037 -0.162 0.000 0.616 123 A CB -0.564 18.314 19.000 -0.204 0.000 0.823 123 A HN 0.379 nan 8.150 nan 0.000 0.442 124 I N -0.099 120.358 120.570 -0.188 0.000 2.226 124 I HA -0.282 3.905 4.170 0.029 0.000 0.245 124 I C 2.939 179.018 176.117 -0.063 0.000 1.100 124 I CA 1.120 62.336 61.300 -0.140 0.000 1.374 124 I CB -0.300 37.603 38.000 -0.161 0.000 1.057 124 I HN 0.347 nan 8.210 nan 0.000 0.413 125 A N 0.148 122.945 122.820 -0.038 0.000 1.933 125 A HA -0.171 4.167 4.320 0.029 0.000 0.218 125 A C 2.129 179.702 177.584 -0.019 0.000 1.175 125 A CA 1.415 53.446 52.037 -0.009 0.000 0.628 125 A CB -0.355 18.649 19.000 0.007 0.000 0.814 125 A HN 0.317 nan 8.150 nan 0.000 0.444 126 E N 0.340 120.517 120.200 -0.038 0.000 2.418 126 E HA -0.073 4.295 4.350 0.029 0.000 0.197 126 E C 2.059 178.641 176.600 -0.029 0.000 1.026 126 E CA 1.068 57.450 56.400 -0.030 0.000 0.862 126 E CB -0.274 29.404 29.700 -0.036 0.000 0.799 126 E HN 0.769 nan 8.360 nan 0.000 0.518 127 S N -1.085 114.593 115.700 -0.038 0.000 2.528 127 S HA 0.059 4.547 4.470 0.029 0.000 0.219 127 S C 1.018 175.609 174.600 -0.015 0.000 0.985 127 S CA 0.002 58.182 58.200 -0.033 0.000 0.914 127 S CB 0.369 63.539 63.200 -0.051 0.000 0.776 127 S HN 0.028 nan 8.310 nan 0.000 0.526 128 T N 1.979 116.527 114.554 -0.009 0.000 2.900 128 T HA 0.572 4.939 4.350 0.029 0.000 0.295 128 T C -2.492 172.211 174.700 0.005 0.000 1.044 128 T CA -1.699 60.401 62.100 0.001 0.000 0.995 128 T CB 2.037 70.906 68.868 0.002 0.000 1.072 128 T HN -0.048 nan 8.240 nan 0.000 0.473 129 P HA 0.198 nan 4.420 nan 0.000 0.240 129 P C 0.361 177.670 177.300 0.014 0.000 1.190 129 P CA -0.175 62.932 63.100 0.011 0.000 0.781 129 P CB 0.141 31.847 31.700 0.010 0.000 0.931 130 L N 2.102 123.334 121.223 0.015 0.000 2.483 130 L HA 0.186 4.543 4.340 0.029 0.000 0.276 130 L C -1.965 174.925 176.870 0.032 0.000 1.213 130 L CA -1.481 53.371 54.840 0.021 0.000 0.843 130 L CB -1.073 40.995 42.059 0.014 0.000 1.107 130 L HN -0.110 nan 8.230 nan 0.000 0.487 131 P HA 0.054 nan 4.420 nan 0.000 0.266 131 P C -0.965 176.385 177.300 0.084 0.000 1.195 131 P CA 0.016 63.159 63.100 0.072 0.000 0.768 131 P CB 0.494 32.249 31.700 0.092 0.000 0.838 132 V N 4.660 124.625 119.914 0.085 0.000 2.487 132 V HA 0.421 4.558 4.120 0.029 0.000 0.298 132 V C 0.047 176.182 176.094 0.068 0.000 1.028 132 V CA -0.513 61.827 62.300 0.066 0.000 0.860 132 V CB 1.530 33.390 31.823 0.061 0.000 0.991 132 V HN 0.555 nan 8.190 nan 0.000 0.427 133 M N 5.343 124.956 119.600 0.021 0.000 2.268 133 M HA 0.556 5.054 4.480 0.029 0.000 0.344 133 M C -1.187 175.102 176.300 -0.019 0.000 1.106 133 M CA -0.624 54.664 55.300 -0.021 0.000 1.010 133 M CB 1.164 33.681 32.600 -0.140 0.000 1.649 133 M HN 0.431 nan 8.290 nan 0.000 0.443 134 L N 4.609 125.817 121.223 -0.025 0.000 2.475 134 L HA 0.314 4.671 4.340 0.029 0.000 0.253 134 L C -0.810 176.117 176.870 0.095 0.000 1.198 134 L CA 0.161 54.958 54.840 -0.071 0.000 0.814 134 L CB 0.351 42.322 42.059 -0.147 0.000 1.134 134 L HN 0.650 nan 8.230 nan 0.000 0.478 135 Y N 1.805 122.083 120.300 -0.038 0.000 2.325 135 Y HA 0.295 4.857 4.550 0.020 0.000 0.336 135 Y C -0.692 175.253 175.900 0.075 0.000 1.130 135 Y CA -1.867 56.252 58.100 0.033 0.000 1.264 135 Y CB 0.631 39.129 38.460 0.063 0.000 1.128 135 Y HN 0.722 nan 8.280 nan 0.000 0.469 136 N N 3.781 122.614 118.700 0.222 0.000 2.419 136 N HA 0.480 5.238 4.740 0.029 0.000 0.264 136 N C -1.511 173.972 175.510 -0.045 0.000 1.031 136 N CA 0.026 53.108 53.050 0.053 0.000 0.951 136 N CB 1.340 39.882 38.487 0.093 0.000 1.101 136 N HN 0.371 nan 8.380 nan 0.000 0.488 137 V N 7.223 127.028 119.914 -0.180 0.000 2.850 137 V HA 0.342 4.479 4.120 0.029 0.000 0.284 137 V C -1.864 174.180 176.094 -0.085 0.000 0.940 137 V CA -1.257 60.936 62.300 -0.179 0.000 1.131 137 V CB 1.269 32.806 31.823 -0.476 0.000 1.024 137 V HN 0.708 nan 8.190 nan 0.000 0.513 138 P HA -0.088 nan 4.420 nan 0.000 0.218 138 P C 1.464 178.767 177.300 0.004 0.000 1.146 138 P CA 1.716 64.815 63.100 -0.001 0.000 0.813 138 P CB 0.153 31.859 31.700 0.009 0.000 0.778 139 G N -0.499 108.301 108.800 0.000 0.000 2.650 139 G HA2 -0.129 3.849 3.960 0.029 0.000 0.214 139 G HA3 -0.129 3.849 3.960 0.029 0.000 0.214 139 G C 1.693 176.601 174.900 0.014 0.000 1.136 139 G CA 0.127 45.231 45.100 0.007 0.000 0.789 139 G HN 0.296 nan 8.290 nan 0.000 0.536 140 R N -0.573 119.932 120.500 0.008 0.000 2.225 140 R HA 0.182 4.539 4.340 0.029 0.000 0.194 140 R C 2.125 178.455 176.300 0.049 0.000 0.949 140 R CA 0.533 56.643 56.100 0.017 0.000 1.088 140 R CB 0.229 30.531 30.300 0.005 0.000 1.106 140 R HN 0.177 nan 8.270 nan 0.000 0.566 141 S N 0.430 116.158 115.700 0.046 0.000 2.517 141 S HA 0.217 4.704 4.470 0.029 0.000 0.214 141 S C 1.222 175.860 174.600 0.063 0.000 0.991 141 S CA 0.177 58.432 58.200 0.093 0.000 0.906 141 S CB 0.246 63.482 63.200 0.061 0.000 0.789 141 S HN 0.284 nan 8.310 nan 0.000 0.513 142 I N -0.558 120.036 120.570 0.040 0.000 4.538 142 I HA -0.302 3.886 4.170 0.029 0.000 0.053 142 I C 0.803 176.931 176.117 0.018 0.000 0.613 142 I CA 1.116 62.433 61.300 0.028 0.000 0.944 142 I CB -1.849 36.171 38.000 0.033 0.000 0.852 142 I HN 0.319 nan 8.210 nan 0.000 0.162 143 V N 1.839 121.762 119.914 0.015 0.000 2.999 143 V HA 0.238 4.376 4.120 0.029 0.000 0.307 143 V C 0.462 176.569 176.094 0.022 0.000 1.084 143 V CA -0.101 62.207 62.300 0.014 0.000 1.155 143 V CB 0.942 32.768 31.823 0.005 0.000 0.975 143 V HN 0.297 nan 8.190 nan 0.000 0.490 144 Q N 2.707 122.525 119.800 0.029 0.000 2.245 144 Q HA 0.548 4.906 4.340 0.029 0.000 0.256 144 Q C -0.503 175.535 176.000 0.063 0.000 0.942 144 Q CA -0.651 55.176 55.803 0.040 0.000 0.896 144 Q CB 2.550 31.309 28.738 0.035 0.000 1.272 144 Q HN 0.796 nan 8.270 nan 0.000 0.442 145 I N 2.124 122.745 120.570 0.084 0.000 2.436 145 I HA -0.016 4.171 4.170 0.029 0.000 0.289 145 I C 1.018 177.182 176.117 0.078 0.000 1.083 145 I CA -0.011 61.355 61.300 0.110 0.000 1.372 145 I CB 0.390 38.461 38.000 0.118 0.000 1.408 145 I HN 0.535 nan 8.210 nan 0.000 0.516 146 S N 5.139 120.882 115.700 0.071 0.000 2.585 146 S HA 0.149 4.637 4.470 0.029 0.000 0.273 146 S C 1.252 175.876 174.600 0.040 0.000 1.339 146 S CA -0.907 57.322 58.200 0.047 0.000 1.028 146 S CB 1.639 64.861 63.200 0.036 0.000 0.906 146 S HN 0.406 nan 8.310 nan 0.000 0.528 147 V N 1.634 121.565 119.914 0.028 0.000 2.324 147 V HA -0.200 3.938 4.120 0.029 0.000 0.250 147 V C 2.259 178.351 176.094 -0.002 0.000 1.060 147 V CA 2.400 64.710 62.300 0.017 0.000 1.042 147 V CB -0.904 30.927 31.823 0.013 0.000 0.650 147 V HN 0.876 nan 8.190 nan 0.000 0.450 148 D N -0.470 119.928 120.400 -0.003 0.000 2.144 148 D HA -0.107 4.551 4.640 0.029 0.000 0.200 148 D C 2.272 178.564 176.300 -0.014 0.000 0.978 148 D CA 1.707 55.696 54.000 -0.019 0.000 0.833 148 D CB -0.245 40.541 40.800 -0.023 0.000 0.961 148 D HN 0.440 nan 8.370 nan 0.000 0.470 149 T N 0.832 115.399 114.554 0.023 0.000 2.674 149 T HA -0.096 4.272 4.350 0.029 0.000 0.265 149 T C 2.333 177.080 174.700 0.080 0.000 1.039 149 T CA 0.750 62.899 62.100 0.082 0.000 1.150 149 T CB -0.410 68.538 68.868 0.134 0.000 0.864 149 T HN -0.041 nan 8.240 nan 0.000 0.427 150 V N 1.486 121.419 119.914 0.031 0.000 2.324 150 V HA -0.192 3.946 4.120 0.029 0.000 0.250 150 V C 2.672 178.671 176.094 -0.159 0.000 1.060 150 V CA 1.526 63.807 62.300 -0.031 0.000 1.042 150 V CB -0.834 30.991 31.823 0.005 0.000 0.650 150 V HN 0.327 nan 8.190 nan 0.000 0.450 151 V N -0.310 119.525 119.914 -0.133 0.000 2.307 151 V HA -0.257 3.880 4.120 0.029 0.000 0.245 151 V C 2.549 178.563 176.094 -0.133 0.000 1.045 151 V CA 2.164 64.353 62.300 -0.185 0.000 1.024 151 V CB -0.795 30.959 31.823 -0.115 0.000 0.651 151 V HN 0.468 nan 8.190 nan 0.000 0.449 152 R N -0.114 120.358 120.500 -0.046 0.000 2.080 152 R HA -0.153 4.204 4.340 0.029 0.000 0.236 152 R C 2.319 178.694 176.300 0.125 0.000 1.137 152 R CA 1.697 57.813 56.100 0.026 0.000 0.943 152 R CB -0.617 29.677 30.300 -0.010 0.000 0.846 152 R HN 0.401 nan 8.270 nan 0.000 0.431 153 L N 0.894 122.210 121.223 0.154 0.000 2.079 153 L HA -0.221 4.136 4.340 0.029 0.000 0.210 153 L C 2.727 179.590 176.870 -0.012 0.000 1.081 153 L CA 1.590 56.491 54.840 0.102 0.000 0.752 153 L CB -0.763 41.334 42.059 0.063 0.000 0.896 153 L HN 0.354 nan 8.230 nan 0.000 0.433 154 S N -0.248 115.327 115.700 -0.208 0.000 2.402 154 S HA -0.257 4.231 4.470 0.029 0.000 0.233 154 S C 1.616 176.161 174.600 -0.092 0.000 1.030 154 S CA 1.473 59.457 58.200 -0.360 0.000 1.003 154 S CB -0.489 62.170 63.200 -0.901 0.000 0.813 154 S HN 0.527 nan 8.310 nan 0.000 0.477 155 E N 0.565 120.733 120.200 -0.054 0.000 2.515 155 E HA 0.156 4.524 4.350 0.029 0.000 0.201 155 E C -0.129 176.493 176.600 0.036 0.000 1.071 155 E CA 0.163 56.564 56.400 0.001 0.000 0.880 155 E CB -0.213 29.492 29.700 0.008 0.000 0.828 155 E HN 0.650 nan 8.360 nan 0.000 0.540 156 I N 1.454 122.054 120.570 0.050 0.000 2.371 156 I HA -0.016 4.171 4.170 0.029 0.000 0.290 156 I C 1.201 177.355 176.117 0.062 0.000 1.028 156 I CA -0.072 61.260 61.300 0.054 0.000 1.345 156 I CB 1.158 39.186 38.000 0.047 0.000 1.407 156 I HN -0.037 nan 8.210 nan 0.000 0.501 157 E N 3.992 124.221 120.200 0.049 0.000 2.114 157 E HA -0.256 4.111 4.350 0.029 0.000 0.199 157 E C 1.310 177.945 176.600 0.059 0.000 1.008 157 E CA 1.615 58.044 56.400 0.049 0.000 0.810 157 E CB -0.072 29.648 29.700 0.034 0.000 0.739 157 E HN 0.711 nan 8.360 nan 0.000 0.456 158 N N 0.705 119.437 118.700 0.054 0.000 2.270 158 N HA -0.021 4.737 4.740 0.029 0.000 0.198 158 N C -0.043 175.514 175.510 0.079 0.000 1.117 158 N CA 0.165 53.248 53.050 0.055 0.000 0.845 158 N CB 0.243 38.753 38.487 0.038 0.000 0.980 158 N HN 0.121 nan 8.380 nan 0.000 0.486 159 I N 2.173 122.808 120.570 0.108 0.000 2.282 159 I HA 0.061 4.249 4.170 0.029 0.000 0.290 159 I C 1.129 177.410 176.117 0.274 0.000 1.090 159 I CA -0.553 60.845 61.300 0.164 0.000 1.231 159 I CB 1.396 39.489 38.000 0.155 0.000 1.434 159 I HN -0.085 nan 8.210 nan 0.000 0.487 160 V N 2.530 122.552 119.914 0.180 0.000 3.605 160 V HA 0.669 4.806 4.120 0.029 0.000 0.284 160 V C 0.603 176.583 176.094 -0.190 0.000 1.386 160 V CA 0.332 62.690 62.300 0.097 0.000 1.053 160 V CB 0.158 32.004 31.823 0.037 0.000 0.857 160 V HN 0.642 nan 8.190 nan 0.000 0.436 161 A N -0.168 122.462 122.820 -0.316 0.000 2.564 161 A HA 0.858 5.196 4.320 0.029 0.000 0.291 161 A C -1.672 175.673 177.584 -0.398 0.000 1.102 161 A CA -0.265 51.413 52.037 -0.597 0.000 0.660 161 A CB 1.733 20.713 19.000 -0.032 0.000 1.283 161 A HN 0.634 nan 8.150 nan 0.000 0.430 162 I N -0.129 120.290 120.570 -0.253 0.000 2.752 162 I HA 0.517 4.705 4.170 0.029 0.000 0.295 162 I C -0.872 175.292 176.117 0.078 0.000 1.219 162 I CA -0.510 60.794 61.300 0.007 0.000 1.030 162 I CB 1.921 40.019 38.000 0.163 0.000 1.259 162 I HN 0.699 nan 8.210 nan 0.000 0.423 163 K N 5.662 126.105 120.400 0.072 0.000 2.281 163 K HA 0.241 4.579 4.320 0.029 0.000 0.272 163 K C -1.126 175.593 176.600 0.198 0.000 1.048 163 K CA -0.415 55.920 56.287 0.079 0.000 0.898 163 K CB 0.711 33.130 32.500 -0.135 0.000 1.128 163 K HN 0.464 nan 8.250 nan 0.000 0.460 164 D N 4.232 124.733 120.400 0.169 0.000 2.485 164 D HA 0.206 4.863 4.640 0.029 0.000 0.221 164 D C 0.051 176.438 176.300 0.144 0.000 1.112 164 D CA -0.297 53.799 54.000 0.159 0.000 0.911 164 D CB 1.118 41.990 40.800 0.120 0.000 1.019 164 D HN 0.605 nan 8.370 nan 0.000 0.516 165 A N 2.565 125.503 122.820 0.195 0.000 2.310 165 A HA 0.300 4.637 4.320 0.029 0.000 0.230 165 A C 1.830 179.461 177.584 0.078 0.000 1.294 165 A CA 0.282 52.408 52.037 0.149 0.000 0.898 165 A CB -0.234 18.915 19.000 0.248 0.000 0.917 165 A HN 0.533 nan 8.150 nan 0.000 0.491 166 G N -0.810 108.031 108.800 0.069 0.000 2.534 166 G HA2 0.260 4.238 3.960 0.029 0.000 0.217 166 G HA3 0.260 4.238 3.960 0.029 0.000 0.217 166 G C 1.248 176.163 174.900 0.025 0.000 1.128 166 G CA 0.539 45.664 45.100 0.042 0.000 0.784 166 G HN 1.617 nan 8.290 nan 0.000 0.542 167 G N -0.566 108.247 108.800 0.023 0.000 2.141 167 G HA2 -0.217 3.760 3.960 0.029 0.000 0.242 167 G HA3 -0.217 3.760 3.960 0.029 0.000 0.242 167 G C -0.209 174.697 174.900 0.010 0.000 0.982 167 G CA 0.376 45.481 45.100 0.007 0.000 0.662 167 G HN 0.683 nan 8.290 nan 0.000 0.527 168 D N -0.143 120.267 120.400 0.018 0.000 2.386 168 D HA 0.431 5.089 4.640 0.029 0.000 0.247 168 D C 1.429 177.740 176.300 0.019 0.000 1.336 168 D CA 0.120 54.130 54.000 0.016 0.000 0.976 168 D CB 1.263 42.074 40.800 0.018 0.000 1.257 168 D HN 0.564 nan 8.370 nan 0.000 0.570 169 V N 2.250 122.171 119.914 0.012 0.000 3.217 169 V HA 0.005 4.143 4.120 0.029 0.000 0.264 169 V C 1.921 178.022 176.094 0.012 0.000 1.135 169 V CA 0.689 62.995 62.300 0.010 0.000 1.142 169 V CB -0.693 31.129 31.823 -0.002 0.000 0.754 169 V HN 0.523 nan 8.190 nan 0.000 0.484 170 L N 0.508 121.739 121.223 0.012 0.000 2.156 170 L HA -0.049 4.309 4.340 0.029 0.000 0.208 170 L C 2.749 179.630 176.870 0.019 0.000 1.095 170 L CA 1.779 56.627 54.840 0.013 0.000 0.770 170 L CB -1.110 40.955 42.059 0.010 0.000 0.914 170 L HN 0.349 nan 8.230 nan 0.000 0.439 171 T N -0.181 114.387 114.554 0.023 0.000 2.737 171 T HA -0.136 4.231 4.350 0.029 0.000 0.265 171 T C 2.008 176.732 174.700 0.041 0.000 1.038 171 T CA 1.218 63.337 62.100 0.030 0.000 1.144 171 T CB -0.163 68.725 68.868 0.033 0.000 0.866 171 T HN 0.183 nan 8.240 nan 0.000 0.434 172 M N 1.369 120.995 119.600 0.043 0.000 2.082 172 M HA -0.164 4.334 4.480 0.029 0.000 0.258 172 M C 2.861 179.189 176.300 0.047 0.000 1.069 172 M CA 2.059 57.390 55.300 0.052 0.000 1.102 172 M CB -1.008 31.615 32.600 0.039 0.000 1.336 172 M HN 0.381 nan 8.290 nan 0.000 0.404 173 T N -0.721 113.852 114.554 0.031 0.000 2.803 173 T HA -0.213 4.155 4.350 0.029 0.000 0.269 173 T C 1.594 176.313 174.700 0.030 0.000 1.052 173 T CA 1.890 64.006 62.100 0.028 0.000 1.136 173 T CB -0.231 68.648 68.868 0.019 0.000 0.864 173 T HN 0.492 nan 8.240 nan 0.000 0.467 174 E N -0.131 120.087 120.200 0.029 0.000 2.072 174 E HA -0.032 4.336 4.350 0.029 0.000 0.190 174 E C 2.214 178.831 176.600 0.029 0.000 0.982 174 E CA 1.048 57.463 56.400 0.024 0.000 0.803 174 E CB -0.200 29.512 29.700 0.019 0.000 0.755 174 E HN 0.659 nan 8.360 nan 0.000 0.453 175 I N 0.880 121.479 120.570 0.047 0.000 2.163 175 I HA -0.318 3.869 4.170 0.029 0.000 0.243 175 I C 2.343 178.513 176.117 0.088 0.000 1.085 175 I CA 1.047 62.387 61.300 0.067 0.000 1.347 175 I CB -0.272 37.803 38.000 0.125 0.000 1.044 175 I HN 0.167 nan 8.210 nan 0.000 0.408 176 I N 0.575 121.202 120.570 0.094 0.000 2.118 176 I HA -0.354 3.833 4.170 0.029 0.000 0.241 176 I C 2.686 178.841 176.117 0.062 0.000 1.070 176 I CA 1.821 63.176 61.300 0.092 0.000 1.327 176 I CB -0.487 37.548 38.000 0.059 0.000 1.034 176 I HN 0.310 nan 8.210 nan 0.000 0.405 177 E N 1.397 121.621 120.200 0.039 0.000 2.049 177 E HA -0.279 4.089 4.350 0.029 0.000 0.198 177 E C 2.078 178.687 176.600 0.015 0.000 1.007 177 E CA 1.651 58.065 56.400 0.024 0.000 0.809 177 E CB 0.034 29.744 29.700 0.017 0.000 0.749 177 E HN 0.384 nan 8.360 nan 0.000 0.450 178 K N 0.090 120.493 120.400 0.005 0.000 2.365 178 K HA -0.000 4.337 4.320 0.029 0.000 0.197 178 K C 0.642 177.219 176.600 -0.038 0.000 1.042 178 K CA 0.870 57.148 56.287 -0.016 0.000 0.987 178 K CB 0.280 32.766 32.500 -0.023 0.000 0.779 178 K HN 0.261 nan 8.250 nan 0.000 0.484 179 T N -1.334 113.200 114.554 -0.032 0.000 2.922 179 T HA 0.577 4.944 4.350 0.029 0.000 0.285 179 T C 0.316 175.027 174.700 0.018 0.000 1.005 179 T CA -1.073 60.990 62.100 -0.062 0.000 1.061 179 T CB 1.758 70.569 68.868 -0.096 0.000 1.007 179 T HN 0.085 nan 8.240 nan 0.000 0.502 180 A N 1.612 124.444 122.820 0.021 0.000 2.455 180 A HA 0.230 4.567 4.320 0.029 0.000 0.244 180 A C 1.206 178.848 177.584 0.096 0.000 1.099 180 A CA -0.294 51.774 52.037 0.052 0.000 0.786 180 A CB -0.432 18.596 19.000 0.045 0.000 1.051 180 A HN 0.927 nan 8.150 nan 0.000 0.508 181 D N -0.137 120.303 120.400 0.067 0.000 2.264 181 D HA -0.093 4.564 4.640 0.029 0.000 0.208 181 D C 0.960 177.301 176.300 0.068 0.000 0.966 181 D CA 1.669 55.704 54.000 0.059 0.000 0.864 181 D CB -0.062 40.758 40.800 0.033 0.000 0.933 181 D HN 0.706 nan 8.370 nan 0.000 0.499 182 D N -0.829 119.621 120.400 0.084 0.000 2.328 182 D HA -0.084 4.574 4.640 0.029 0.000 0.221 182 D C -0.097 176.282 176.300 0.133 0.000 1.072 182 D CA -0.451 53.593 54.000 0.074 0.000 0.850 182 D CB -0.753 40.082 40.800 0.057 0.000 0.922 182 D HN 0.084 nan 8.370 nan 0.000 0.516 183 F N 1.839 121.796 119.950 0.012 0.000 2.391 183 F HA 0.556 5.082 4.527 -0.003 0.000 0.359 183 F C -0.194 175.625 175.800 0.032 0.000 1.122 183 F CA -1.172 56.845 58.000 0.029 0.000 1.120 183 F CB 0.990 40.007 39.000 0.028 0.000 1.142 183 F HN -0.011 nan 8.300 nan 0.000 0.483 184 A N 5.965 128.573 122.820 -0.353 0.000 2.301 184 A HA 0.650 4.987 4.320 0.029 0.000 0.298 184 A C -1.134 176.266 177.584 -0.306 0.000 1.185 184 A CA -0.552 51.342 52.037 -0.239 0.000 0.830 184 A CB 0.611 19.567 19.000 -0.074 0.000 1.112 184 A HN 0.565 nan 8.150 nan 0.000 0.508 185 V N 3.558 123.353 119.914 -0.197 0.000 2.384 185 V HA 0.348 4.486 4.120 0.029 0.000 0.287 185 V C -0.961 175.029 176.094 -0.172 0.000 1.020 185 V CA -0.251 61.995 62.300 -0.091 0.000 0.850 185 V CB 0.657 32.489 31.823 0.015 0.000 0.987 185 V HN 0.806 nan 8.190 nan 0.000 0.436 186 Y N 1.913 122.188 120.300 -0.041 0.000 2.446 186 Y HA 0.477 5.042 4.550 0.026 0.000 0.338 186 Y C 0.826 176.721 175.900 -0.008 0.000 1.055 186 Y CA -0.207 57.877 58.100 -0.026 0.000 1.101 186 Y CB 2.087 40.520 38.460 -0.045 0.000 1.221 186 Y HN 0.597 nan 8.280 nan 0.000 0.460 187 S N 0.737 116.514 115.700 0.127 0.000 2.576 187 S HA 0.307 4.795 4.470 0.029 0.000 0.276 187 S C 0.943 175.607 174.600 0.107 0.000 1.339 187 S CA 0.030 58.285 58.200 0.092 0.000 1.039 187 S CB 0.370 63.600 63.200 0.050 0.000 0.902 187 S HN 0.967 nan 8.310 nan 0.000 0.516 188 G N 2.418 111.272 108.800 0.089 0.000 3.393 188 G HA2 0.271 4.249 3.960 0.029 0.000 0.255 188 G HA3 0.271 4.249 3.960 0.029 0.000 0.255 188 G C -0.899 174.033 174.900 0.052 0.000 1.097 188 G CA -0.449 44.695 45.100 0.074 0.000 0.780 188 G HN 0.717 nan 8.290 nan 0.000 0.540 189 D N 0.221 120.640 120.400 0.032 0.000 2.462 189 D HA 0.263 4.920 4.640 0.029 0.000 0.245 189 D C 0.174 176.477 176.300 0.005 0.000 1.122 189 D CA -0.631 53.361 54.000 -0.013 0.000 0.864 189 D CB 2.148 42.931 40.800 -0.029 0.000 1.098 189 D HN -0.215 nan 8.370 nan 0.000 0.541 190 D N 2.563 122.972 120.400 0.014 0.000 2.126 190 D HA -0.181 4.476 4.640 0.029 0.000 0.190 190 D C 2.363 178.679 176.300 0.027 0.000 1.001 190 D CA 1.395 55.419 54.000 0.041 0.000 0.841 190 D CB -0.099 40.746 40.800 0.076 0.000 0.949 190 D HN 0.621 nan 8.370 nan 0.000 0.446 191 G N 0.755 109.555 108.800 0.000 0.000 2.507 191 G HA2 -0.219 3.759 3.960 0.029 0.000 0.221 191 G HA3 -0.219 3.759 3.960 0.029 0.000 0.221 191 G C 1.525 176.461 174.900 0.060 0.000 1.119 191 G CA 0.355 45.448 45.100 -0.011 0.000 0.751 191 G HN 0.299 nan 8.290 nan 0.000 0.574 192 L N 0.983 122.233 121.223 0.046 0.000 2.653 192 L HA 0.151 4.508 4.340 0.029 0.000 0.232 192 L C 2.311 179.193 176.870 0.021 0.000 1.169 192 L CA -0.135 54.734 54.840 0.049 0.000 0.951 192 L CB 0.089 42.160 42.059 0.019 0.000 1.181 192 L HN 0.077 nan 8.230 nan 0.000 0.460 193 T N 0.315 114.890 114.554 0.036 0.000 2.812 193 T HA -0.150 4.217 4.350 0.029 0.000 0.264 193 T C 1.813 176.459 174.700 -0.090 0.000 1.042 193 T CA 1.165 63.262 62.100 -0.006 0.000 1.140 193 T CB 0.008 68.888 68.868 0.019 0.000 0.870 193 T HN 0.187 nan 8.240 nan 0.000 0.445 194 L N 2.709 123.879 121.223 -0.088 0.000 1.976 194 L HA 0.026 4.384 4.340 0.029 0.000 0.209 194 L C -0.764 175.879 176.870 -0.379 0.000 1.071 194 L CA 1.926 56.583 54.840 -0.305 0.000 0.746 194 L CB -1.325 40.552 42.059 -0.302 0.000 0.890 194 L HN 0.117 nan 8.230 nan 0.000 0.432 195 P HA -0.107 nan 4.420 nan 0.000 0.221 195 P C 1.369 178.591 177.300 -0.131 0.000 1.150 195 P CA 1.786 64.777 63.100 -0.181 0.000 0.800 195 P CB -0.161 31.476 31.700 -0.106 0.000 0.787 196 A N -0.041 122.715 122.820 -0.106 0.000 1.902 196 A HA -0.122 4.216 4.320 0.029 0.000 0.217 196 A C 2.350 179.875 177.584 -0.098 0.000 1.181 196 A CA 1.750 53.742 52.037 -0.074 0.000 0.623 196 A CB -1.350 17.622 19.000 -0.046 0.000 0.818 196 A HN 0.106 nan 8.150 nan 0.000 0.443 197 M N -0.797 118.702 119.600 -0.168 0.000 2.254 197 M HA -0.032 4.466 4.480 0.029 0.000 0.265 197 M C 2.469 178.727 176.300 -0.071 0.000 1.066 197 M CA 0.943 56.156 55.300 -0.145 0.000 1.123 197 M CB -0.306 32.179 32.600 -0.192 0.000 1.388 197 M HN 0.477 nan 8.290 nan 0.000 0.425 198 A N 0.382 123.103 122.820 -0.165 0.000 1.948 198 A HA -0.155 4.183 4.320 0.029 0.000 0.220 198 A C 2.007 179.652 177.584 0.103 0.000 1.177 198 A CA 2.127 54.234 52.037 0.117 0.000 0.636 198 A CB -1.118 17.919 19.000 0.061 0.000 0.815 198 A HN 0.475 nan 8.150 nan 0.000 0.449 199 V N -4.318 115.611 119.914 0.025 0.000 3.623 199 V HA 0.546 4.684 4.120 0.029 0.000 0.271 199 V C 1.211 177.319 176.094 0.024 0.000 1.248 199 V CA 0.863 63.178 62.300 0.025 0.000 1.156 199 V CB -0.587 31.240 31.823 0.008 0.000 0.870 199 V HN 1.571 nan 8.190 nan 0.000 0.453 200 G N -0.478 108.335 108.800 0.021 0.000 2.145 200 G HA2 0.098 4.076 3.960 0.029 0.000 0.145 200 G HA3 0.098 4.076 3.960 0.029 0.000 0.145 200 G C 0.213 175.096 174.900 -0.028 0.000 1.017 200 G CA -0.054 45.053 45.100 0.012 0.000 0.682 200 G HN 1.462 nan 8.290 nan 0.000 0.504 201 A N 0.103 122.890 122.820 -0.055 0.000 2.425 201 A HA 0.685 5.023 4.320 0.029 0.000 0.249 201 A C 1.304 178.774 177.584 -0.190 0.000 1.084 201 A CA 1.100 53.065 52.037 -0.120 0.000 0.781 201 A CB 0.566 19.503 19.000 -0.105 0.000 1.019 201 A HN 0.543 nan 8.150 nan 0.000 0.490 202 K N 1.288 121.475 120.400 -0.354 0.000 2.211 202 K HA 0.132 4.469 4.320 0.029 0.000 0.203 202 K C 0.931 177.271 176.600 -0.434 0.000 1.050 202 K CA 1.533 57.560 56.287 -0.433 0.000 0.945 202 K CB -0.061 32.071 32.500 -0.613 0.000 0.732 202 K HN 1.044 nan 8.250 nan 0.000 0.451 203 G N -0.384 108.108 108.800 -0.514 0.000 2.498 203 G HA2 0.258 4.236 3.960 0.029 0.000 0.181 203 G HA3 0.258 4.236 3.960 0.029 0.000 0.181 203 G C -1.909 173.040 174.900 0.082 0.000 1.169 203 G CA -0.305 44.717 45.100 -0.130 0.000 0.992 203 G HN 0.123 nan 8.290 nan 0.000 0.490 204 I N -0.012 120.727 120.570 0.283 0.000 2.769 204 I HA 0.728 4.915 4.170 0.029 0.000 0.298 204 I C -1.022 175.204 176.117 0.181 0.000 1.128 204 I CA -1.095 60.336 61.300 0.218 0.000 1.031 204 I CB 2.360 40.418 38.000 0.097 0.000 1.235 204 I HN 0.451 nan 8.210 nan 0.000 0.423 205 V N 6.110 126.063 119.914 0.064 0.000 2.328 205 V HA 0.602 4.739 4.120 0.029 0.000 0.278 205 V C -0.009 176.069 176.094 -0.027 0.000 1.021 205 V CA -0.316 61.936 62.300 -0.080 0.000 0.838 205 V CB 0.708 32.401 31.823 -0.217 0.000 0.999 205 V HN 0.767 nan 8.190 nan 0.000 0.447 206 S N 3.365 119.058 115.700 -0.011 0.000 2.532 206 S HA 0.675 5.163 4.470 0.029 0.000 0.301 206 S C 0.407 175.067 174.600 0.100 0.000 1.083 206 S CA -0.519 57.711 58.200 0.050 0.000 1.025 206 S CB 2.144 65.369 63.200 0.040 0.000 1.056 206 S HN 0.330 nan 8.310 nan 0.000 0.494 207 V N 3.579 123.602 119.914 0.181 0.000 2.908 207 V HA 0.229 4.367 4.120 0.029 0.000 0.240 207 V C 2.539 178.796 176.094 0.272 0.000 1.117 207 V CA 1.008 63.467 62.300 0.265 0.000 1.133 207 V CB -1.001 30.967 31.823 0.242 0.000 0.857 207 V HN 0.929 nan 8.190 nan 0.000 0.478 208 A N 1.493 124.429 122.820 0.193 0.000 2.084 208 A HA -0.216 4.121 4.320 0.029 0.000 0.221 208 A C 2.402 180.065 177.584 0.133 0.000 1.161 208 A CA 2.145 54.269 52.037 0.145 0.000 0.653 208 A CB -0.696 18.375 19.000 0.117 0.000 0.802 208 A HN 0.714 nan 8.150 nan 0.000 0.457 209 S N -0.753 115.012 115.700 0.109 0.000 2.469 209 S HA -0.214 4.273 4.470 0.029 0.000 0.238 209 S C 1.625 176.260 174.600 0.058 0.000 0.998 209 S CA 1.132 59.358 58.200 0.044 0.000 0.957 209 S CB -0.982 62.203 63.200 -0.025 0.000 0.764 209 S HN 0.748 nan 8.310 nan 0.000 0.514 210 H N 0.827 119.939 119.070 0.070 0.000 2.456 210 H HA 0.011 4.584 4.556 0.029 0.000 0.296 210 H C 2.161 177.591 175.328 0.171 0.000 1.079 210 H CA 1.820 57.936 56.048 0.114 0.000 1.322 210 H CB 0.173 29.954 29.762 0.032 0.000 1.388 210 H HN 0.628 nan 8.280 nan 0.000 0.538 211 V N -1.295 118.753 119.914 0.224 0.000 3.371 211 V HA 0.114 4.252 4.120 0.029 0.000 0.246 211 V C 1.345 177.513 176.094 0.122 0.000 1.303 211 V CA 0.244 62.646 62.300 0.171 0.000 1.156 211 V CB 0.034 31.919 31.823 0.102 0.000 0.929 211 V HN 0.240 nan 8.190 nan 0.000 0.459 212 I N -1.120 119.504 120.570 0.090 0.000 3.424 212 I HA 0.727 4.915 4.170 0.029 0.000 0.339 212 I C 1.524 177.662 176.117 0.036 0.000 1.549 212 I CA 0.173 61.507 61.300 0.055 0.000 1.049 212 I CB 0.396 38.425 38.000 0.047 0.000 1.439 212 I HN 0.001 nan 8.210 nan 0.000 0.500 213 G N 1.752 110.566 108.800 0.023 0.000 2.422 213 G HA2 -0.227 3.751 3.960 0.029 0.000 0.218 213 G HA3 -0.227 3.751 3.960 0.029 0.000 0.218 213 G C 1.299 176.189 174.900 -0.017 0.000 1.146 213 G CA 0.803 45.898 45.100 -0.008 0.000 0.769 213 G HN 0.433 nan 8.290 nan 0.000 0.547 214 N N 0.890 119.573 118.700 -0.027 0.000 2.142 214 N HA -0.062 4.696 4.740 0.029 0.000 0.186 214 N C 2.174 177.683 175.510 -0.002 0.000 1.023 214 N CA 1.271 54.307 53.050 -0.024 0.000 0.852 214 N CB -0.281 38.186 38.487 -0.034 0.000 0.998 214 N HN 0.369 nan 8.380 nan 0.000 0.424 215 E N 0.485 120.691 120.200 0.009 0.000 2.153 215 E HA -0.034 4.334 4.350 0.029 0.000 0.194 215 E C 2.001 178.618 176.600 0.028 0.000 0.988 215 E CA 0.831 57.243 56.400 0.021 0.000 0.811 215 E CB -0.117 29.599 29.700 0.026 0.000 0.746 215 E HN 0.386 nan 8.360 nan 0.000 0.466 216 M N 0.090 119.706 119.600 0.027 0.000 2.077 216 M HA -0.203 4.294 4.480 0.029 0.000 0.261 216 M C 2.523 178.841 176.300 0.031 0.000 1.070 216 M CA 1.478 56.797 55.300 0.033 0.000 1.125 216 M CB -0.294 32.325 32.600 0.031 0.000 1.339 216 M HN 0.099 nan 8.290 nan 0.000 0.409 217 Q N 0.670 120.482 119.800 0.020 0.000 2.133 217 Q HA -0.298 4.059 4.340 0.029 0.000 0.208 217 Q C 1.842 177.857 176.000 0.025 0.000 0.991 217 Q CA 2.359 58.172 55.803 0.018 0.000 0.867 217 Q CB -0.050 28.689 28.738 0.002 0.000 0.911 217 Q HN 0.466 nan 8.270 nan 0.000 0.417 218 E N 0.317 120.531 120.200 0.023 0.000 2.046 218 E HA -0.179 4.189 4.350 0.029 0.000 0.190 218 E C 2.014 178.640 176.600 0.043 0.000 0.982 218 E CA 1.415 57.830 56.400 0.026 0.000 0.800 218 E CB -0.443 29.268 29.700 0.019 0.000 0.756 218 E HN 0.433 nan 8.360 nan 0.000 0.449 219 M N 0.069 119.701 119.600 0.054 0.000 2.073 219 M HA -0.212 4.286 4.480 0.029 0.000 0.258 219 M C 2.072 178.432 176.300 0.099 0.000 1.070 219 M CA 1.930 57.277 55.300 0.078 0.000 1.103 219 M CB -0.243 32.404 32.600 0.079 0.000 1.321 219 M HN 0.267 nan 8.290 nan 0.000 0.405 220 I N 0.363 120.981 120.570 0.079 0.000 2.208 220 I HA -0.285 3.903 4.170 0.029 0.000 0.245 220 I C 2.603 178.802 176.117 0.136 0.000 1.097 220 I CA 1.472 62.833 61.300 0.102 0.000 1.363 220 I CB -0.574 37.465 38.000 0.065 0.000 1.051 220 I HN 0.418 nan 8.210 nan 0.000 0.413 221 A N 0.368 123.235 122.820 0.078 0.000 1.930 221 A HA -0.069 4.269 4.320 0.029 0.000 0.217 221 A C 2.510 180.107 177.584 0.022 0.000 1.175 221 A CA 1.567 53.631 52.037 0.045 0.000 0.627 221 A CB -0.742 18.270 19.000 0.019 0.000 0.815 221 A HN 0.420 nan 8.150 nan 0.000 0.443 222 A N -0.777 122.064 122.820 0.035 0.000 1.858 222 A HA -0.032 4.306 4.320 0.029 0.000 0.216 222 A C 2.017 179.575 177.584 -0.043 0.000 1.190 222 A CA 1.578 53.611 52.037 -0.007 0.000 0.617 222 A CB -0.841 18.174 19.000 0.025 0.000 0.827 222 A HN 0.662 nan 8.150 nan 0.000 0.443 223 F N 0.833 120.737 119.950 -0.077 0.000 2.063 223 F HA -0.303 4.242 4.527 0.029 0.000 0.298 223 F C 2.508 178.233 175.800 -0.124 0.000 1.109 223 F CA 2.545 60.503 58.000 -0.070 0.000 1.212 223 F CB -0.563 38.459 39.000 0.035 0.000 0.973 223 F HN 0.336 nan 8.300 nan 0.000 0.480 224 Q N -0.538 119.244 119.800 -0.030 0.000 2.226 224 Q HA -0.122 4.235 4.340 0.029 0.000 0.204 224 Q C 1.906 177.773 176.000 -0.221 0.000 0.975 224 Q CA 1.150 56.879 55.803 -0.123 0.000 0.866 224 Q CB -0.367 28.386 28.738 0.024 0.000 0.915 224 Q HN 0.534 nan 8.270 nan 0.000 0.440 225 A N -0.369 122.315 122.820 -0.227 0.000 2.345 225 A HA 0.360 4.697 4.320 0.029 0.000 0.225 225 A C 1.267 178.632 177.584 -0.365 0.000 1.243 225 A CA 0.520 52.420 52.037 -0.228 0.000 0.875 225 A CB -0.098 18.813 19.000 -0.149 0.000 0.929 225 A HN 0.385 nan 8.150 nan 0.000 0.502 226 G N -0.351 108.063 108.800 -0.644 0.000 2.198 226 G HA2 -0.228 3.749 3.960 0.029 0.000 0.260 226 G HA3 -0.228 3.749 3.960 0.029 0.000 0.260 226 G C 0.030 174.363 174.900 -0.945 0.000 1.025 226 G CA 0.402 44.842 45.100 -1.100 0.000 0.769 226 G HN 0.427 nan 8.290 nan 0.000 0.507 227 E N 0.002 119.833 120.200 -0.615 0.000 2.201 227 E HA 0.363 4.731 4.350 0.029 0.000 0.272 227 E C 1.077 177.556 176.600 -0.203 0.000 1.228 227 E CA -0.740 55.476 56.400 -0.307 0.000 1.305 227 E CB -0.340 29.269 29.700 -0.152 0.000 1.381 227 E HN 0.323 nan 8.360 nan 0.000 0.475 228 F N 0.790 120.745 119.950 0.008 0.000 2.216 228 F HA -0.161 4.383 4.527 0.029 0.000 0.300 228 F C 2.262 178.095 175.800 0.055 0.000 1.085 228 F CA 0.795 58.823 58.000 0.047 0.000 1.326 228 F CB -0.061 38.954 39.000 0.025 0.000 1.027 228 F HN 0.143 nan 8.300 nan 0.000 0.497 229 K N 0.547 121.063 120.400 0.192 0.000 2.148 229 K HA -0.136 4.202 4.320 0.029 0.000 0.204 229 K C 2.160 178.822 176.600 0.103 0.000 1.050 229 K CA 0.885 57.250 56.287 0.129 0.000 0.942 229 K CB -0.278 32.275 32.500 0.089 0.000 0.724 229 K HN 0.253 nan 8.250 nan 0.000 0.446 230 K N 0.183 120.632 120.400 0.082 0.000 2.031 230 K HA -0.022 4.316 4.320 0.029 0.000 0.205 230 K C 2.045 178.702 176.600 0.095 0.000 1.049 230 K CA 0.981 57.308 56.287 0.067 0.000 0.939 230 K CB -0.011 32.510 32.500 0.034 0.000 0.717 230 K HN 0.032 nan 8.250 nan 0.000 0.438 231 A N 1.326 124.222 122.820 0.126 0.000 1.908 231 A HA -0.247 4.090 4.320 0.029 0.000 0.218 231 A C 2.008 179.696 177.584 0.173 0.000 1.181 231 A CA 1.627 53.764 52.037 0.166 0.000 0.627 231 A CB -0.597 18.561 19.000 0.263 0.000 0.818 231 A HN 0.434 nan 8.150 nan 0.000 0.445 232 Q N -0.882 119.022 119.800 0.173 0.000 2.181 232 Q HA -0.164 4.194 4.340 0.029 0.000 0.205 232 Q C 2.199 178.303 176.000 0.172 0.000 0.980 232 Q CA 1.628 57.531 55.803 0.166 0.000 0.862 232 Q CB -0.113 28.706 28.738 0.134 0.000 0.905 232 Q HN 0.607 nan 8.270 nan 0.000 0.429 233 K N 0.477 120.953 120.400 0.126 0.000 2.116 233 K HA -0.062 4.276 4.320 0.029 0.000 0.203 233 K C 1.873 178.524 176.600 0.084 0.000 1.052 233 K CA 0.656 56.998 56.287 0.093 0.000 0.952 233 K CB 0.108 32.650 32.500 0.070 0.000 0.729 233 K HN 0.223 nan 8.250 nan 0.000 0.446 234 L N -0.382 120.899 121.223 0.098 0.000 2.095 234 L HA -0.146 4.211 4.340 0.029 0.000 0.204 234 L C 2.559 179.485 176.870 0.092 0.000 1.080 234 L CA 1.286 56.175 54.840 0.082 0.000 0.759 234 L CB -0.620 41.487 42.059 0.081 0.000 0.914 234 L HN 0.302 nan 8.230 nan 0.000 0.439 235 H N 0.281 119.371 119.070 0.034 0.000 2.353 235 H HA -0.246 4.327 4.556 0.029 0.000 0.298 235 H C 2.286 177.628 175.328 0.022 0.000 1.103 235 H CA 2.100 58.161 56.048 0.021 0.000 1.293 235 H CB 0.034 29.807 29.762 0.018 0.000 1.372 235 H HN 0.284 nan 8.280 nan 0.000 0.501 236 Q N -0.679 119.102 119.800 -0.031 0.000 2.096 236 Q HA -0.128 4.230 4.340 0.029 0.000 0.204 236 Q C 2.367 178.317 176.000 -0.084 0.000 0.982 236 Q CA 1.434 57.186 55.803 -0.084 0.000 0.850 236 Q CB -0.143 28.608 28.738 0.022 0.000 0.901 236 Q HN 0.471 nan 8.270 nan 0.000 0.422 237 L N 0.444 121.647 121.223 -0.034 0.000 2.027 237 L HA -0.158 4.200 4.340 0.029 0.000 0.206 237 L C 1.994 178.844 176.870 -0.034 0.000 1.074 237 L CA 1.513 56.342 54.840 -0.019 0.000 0.745 237 L CB -0.683 41.381 42.059 0.008 0.000 0.898 237 L HN 0.264 nan 8.230 nan 0.000 0.433 238 L N -1.140 120.056 121.223 -0.046 0.000 2.013 238 L HA -0.259 4.099 4.340 0.029 0.000 0.212 238 L C 2.430 179.260 176.870 -0.066 0.000 1.073 238 L CA 1.919 56.736 54.840 -0.039 0.000 0.753 238 L CB -0.272 41.766 42.059 -0.034 0.000 0.890 238 L HN 0.204 nan 8.230 nan 0.000 0.432 239 V N -0.330 119.486 119.914 -0.164 0.000 2.343 239 V HA -0.298 3.840 4.120 0.029 0.000 0.247 239 V C 2.644 178.701 176.094 -0.062 0.000 1.051 239 V CA 1.883 64.094 62.300 -0.148 0.000 1.036 239 V CB -0.662 31.001 31.823 -0.266 0.000 0.654 239 V HN 0.450 nan 8.190 nan 0.000 0.451 240 R N -0.541 119.928 120.500 -0.052 0.000 2.066 240 R HA -0.101 4.256 4.340 0.029 0.000 0.232 240 R C 2.283 178.588 176.300 0.009 0.000 1.131 240 R CA 1.431 57.521 56.100 -0.016 0.000 0.955 240 R CB -0.330 29.962 30.300 -0.014 0.000 0.851 240 R HN 0.394 nan 8.270 nan 0.000 0.432 241 V N 0.223 120.144 119.914 0.012 0.000 2.295 241 V HA -0.247 3.890 4.120 0.029 0.000 0.246 241 V C 2.150 178.283 176.094 0.065 0.000 1.049 241 V CA 2.213 64.532 62.300 0.031 0.000 1.024 241 V CB -0.487 31.355 31.823 0.031 0.000 0.648 241 V HN 0.455 nan 8.190 nan 0.000 0.447 242 T N -0.372 114.230 114.554 0.080 0.000 2.708 242 T HA -0.209 4.159 4.350 0.029 0.000 0.266 242 T C 1.628 176.468 174.700 0.233 0.000 1.037 242 T CA 1.774 63.977 62.100 0.170 0.000 1.146 242 T CB -0.431 68.507 68.868 0.117 0.000 0.865 242 T HN 0.465 nan 8.240 nan 0.000 0.435 243 D N 1.153 121.625 120.400 0.119 0.000 2.149 243 D HA -0.099 4.559 4.640 0.029 0.000 0.198 243 D C 2.387 178.764 176.300 0.129 0.000 0.990 243 D CA 1.539 55.607 54.000 0.113 0.000 0.839 243 D CB -0.466 40.362 40.800 0.048 0.000 0.948 243 D HN 0.502 nan 8.370 nan 0.000 0.460 244 S N -0.421 115.330 115.700 0.085 0.000 2.453 244 S HA -0.078 4.409 4.470 0.029 0.000 0.231 244 S C 1.618 176.230 174.600 0.019 0.000 1.005 244 S CA 0.327 58.555 58.200 0.046 0.000 0.949 244 S CB -0.089 63.123 63.200 0.021 0.000 0.774 244 S HN 0.057 nan 8.310 nan 0.000 0.510 245 L N 0.072 121.311 121.223 0.026 0.000 2.599 245 L HA 0.458 4.816 4.340 0.029 0.000 0.230 245 L C 0.375 177.012 176.870 -0.388 0.000 1.141 245 L CA 0.761 55.501 54.840 -0.167 0.000 0.877 245 L CB -0.969 40.966 42.059 -0.207 0.000 1.009 245 L HN 0.378 nan 8.230 nan 0.000 0.447 246 F N -2.602 117.342 119.950 -0.010 0.000 2.775 246 F HA 0.163 4.707 4.527 0.028 0.000 0.313 246 F C 1.713 177.509 175.800 -0.006 0.000 1.121 246 F CA -0.092 57.904 58.000 -0.007 0.000 1.206 246 F CB 0.118 39.118 39.000 0.000 0.000 1.052 246 F HN -0.090 nan 8.300 nan 0.000 0.524 247 M N 0.109 119.772 119.600 0.104 0.000 2.374 247 M HA 0.116 4.614 4.480 0.029 0.000 0.264 247 M C 1.054 177.376 176.300 0.037 0.000 1.067 247 M CA 0.563 55.901 55.300 0.063 0.000 1.103 247 M CB -0.909 31.712 32.600 0.035 0.000 1.402 247 M HN 0.107 nan 8.290 nan 0.000 0.444 248 A N 0.233 123.059 122.820 0.010 0.000 2.346 248 A HA 0.691 5.028 4.320 0.029 0.000 0.313 248 A C -2.425 175.155 177.584 -0.007 0.000 1.140 248 A CA -1.501 50.534 52.037 -0.004 0.000 0.826 248 A CB 0.157 19.141 19.000 -0.027 0.000 1.332 248 A HN 0.039 nan 8.150 nan 0.000 0.457 249 P HA 0.132 nan 4.420 nan 0.000 0.263 249 P C -0.101 177.168 177.300 -0.052 0.000 1.195 249 P CA 0.360 63.462 63.100 0.003 0.000 0.762 249 P CB 0.695 32.396 31.700 0.002 0.000 0.799 250 S N 3.972 119.633 115.700 -0.064 0.000 2.576 250 S HA 0.240 4.728 4.470 0.029 0.000 0.276 250 S C -1.389 173.159 174.600 -0.086 0.000 1.339 250 S CA -1.119 56.977 58.200 -0.173 0.000 1.039 250 S CB -0.109 62.944 63.200 -0.245 0.000 0.902 250 S HN 0.362 nan 8.310 nan 0.000 0.516 251 P HA 0.193 nan 4.420 nan 0.000 0.258 251 P C 0.752 177.932 177.300 -0.199 0.000 1.416 251 P CA -0.036 62.948 63.100 -0.193 0.000 0.927 251 P CB -0.070 31.526 31.700 -0.174 0.000 1.444 252 T N 1.282 115.745 114.554 -0.151 0.000 2.708 252 T HA -0.057 4.310 4.350 0.029 0.000 0.266 252 T C -0.700 173.911 174.700 -0.147 0.000 1.037 252 T CA 1.805 63.830 62.100 -0.125 0.000 1.146 252 T CB -1.769 67.051 68.868 -0.081 0.000 0.865 252 T HN 0.225 nan 8.240 nan 0.000 0.435 253 P HA -0.067 nan 4.420 nan 0.000 0.215 253 P C 1.780 178.971 177.300 -0.181 0.000 1.157 253 P CA 0.527 63.527 63.100 -0.166 0.000 0.874 253 P CB -0.260 31.322 31.700 -0.198 0.000 0.790 254 V N -0.290 119.475 119.914 -0.248 0.000 2.515 254 V HA -0.206 3.932 4.120 0.029 0.000 0.250 254 V C 2.039 177.988 176.094 -0.240 0.000 1.058 254 V CA 1.822 63.967 62.300 -0.258 0.000 1.064 254 V CB -0.824 30.780 31.823 -0.366 0.000 0.675 254 V HN 0.070 nan 8.190 nan 0.000 0.461 255 K N -0.717 119.548 120.400 -0.225 0.000 2.148 255 K HA -0.106 4.232 4.320 0.029 0.000 0.204 255 K C 2.035 178.554 176.600 -0.134 0.000 1.050 255 K CA 1.779 57.954 56.287 -0.186 0.000 0.942 255 K CB -0.301 32.099 32.500 -0.167 0.000 0.724 255 K HN 0.489 nan 8.250 nan 0.000 0.446 256 T N 0.965 115.449 114.554 -0.117 0.000 2.857 256 T HA -0.082 4.286 4.350 0.029 0.000 0.266 256 T C 1.979 176.630 174.700 -0.082 0.000 1.048 256 T CA 1.203 63.251 62.100 -0.087 0.000 1.139 256 T CB -0.125 68.699 68.868 -0.073 0.000 0.874 256 T HN 0.272 nan 8.240 nan 0.000 0.455 257 A N 1.068 123.833 122.820 -0.092 0.000 1.969 257 A HA 0.084 4.422 4.320 0.029 0.000 0.218 257 A C 2.258 179.801 177.584 -0.069 0.000 1.169 257 A CA 0.980 52.975 52.037 -0.070 0.000 0.635 257 A CB -0.742 18.218 19.000 -0.066 0.000 0.810 257 A HN 0.452 nan 8.150 nan 0.000 0.445 258 L N -0.830 120.334 121.223 -0.098 0.000 2.027 258 L HA -0.207 4.151 4.340 0.029 0.000 0.206 258 L C 2.891 179.694 176.870 -0.111 0.000 1.074 258 L CA 1.569 56.336 54.840 -0.121 0.000 0.745 258 L CB -0.460 41.508 42.059 -0.153 0.000 0.898 258 L HN 0.508 nan 8.230 nan 0.000 0.433 259 Q N 0.341 120.085 119.800 -0.094 0.000 2.181 259 Q HA -0.248 4.109 4.340 0.029 0.000 0.205 259 Q C 2.108 178.075 176.000 -0.056 0.000 0.980 259 Q CA 1.809 57.569 55.803 -0.073 0.000 0.862 259 Q CB -0.106 28.595 28.738 -0.062 0.000 0.905 259 Q HN 0.528 nan 8.270 nan 0.000 0.429 260 M N 0.034 119.604 119.600 -0.051 0.000 2.319 260 M HA -0.095 4.403 4.480 0.029 0.000 0.265 260 M C 1.820 178.104 176.300 -0.027 0.000 1.068 260 M CA 1.002 56.281 55.300 -0.034 0.000 1.118 260 M CB 0.191 32.773 32.600 -0.029 0.000 1.395 260 M HN 0.141 nan 8.290 nan 0.000 0.435 261 V N -3.555 116.338 119.914 -0.035 0.000 3.271 261 V HA 0.582 4.720 4.120 0.029 0.000 0.327 261 V C 0.876 176.948 176.094 -0.036 0.000 1.389 261 V CA 0.422 62.709 62.300 -0.021 0.000 1.156 261 V CB -0.490 31.334 31.823 0.002 0.000 1.103 261 V HN 0.620 nan 8.190 nan 0.000 0.453 262 G N 0.656 109.426 108.800 -0.051 0.000 2.254 262 G HA2 -0.204 3.773 3.960 0.029 0.000 0.225 262 G HA3 -0.204 3.773 3.960 0.029 0.000 0.225 262 G C 0.005 174.856 174.900 -0.081 0.000 1.003 262 G CA 0.108 45.178 45.100 -0.050 0.000 0.622 262 G HN 0.503 nan 8.290 nan 0.000 0.507 263 L N 2.364 123.504 121.223 -0.139 0.000 2.315 263 L HA 0.345 4.702 4.340 0.029 0.000 0.278 263 L C -0.551 176.241 176.870 -0.129 0.000 1.088 263 L CA -0.568 54.172 54.840 -0.167 0.000 0.899 263 L CB 0.827 42.700 42.059 -0.311 0.000 1.277 263 L HN 0.149 nan 8.230 nan 0.000 0.431 264 D N 3.068 123.415 120.400 -0.089 0.000 2.339 264 D HA 0.118 4.775 4.640 0.029 0.000 0.241 264 D C 0.624 176.879 176.300 -0.074 0.000 1.183 264 D CA -0.129 53.827 54.000 -0.073 0.000 0.859 264 D CB 1.601 42.372 40.800 -0.049 0.000 1.067 264 D HN 0.317 nan 8.370 nan 0.000 0.484 265 V N 1.631 121.490 119.914 -0.092 0.000 3.276 265 V HA 0.579 4.717 4.120 0.029 0.000 0.319 265 V C 0.933 176.967 176.094 -0.100 0.000 1.427 265 V CA 0.410 62.645 62.300 -0.108 0.000 1.102 265 V CB -0.257 31.479 31.823 -0.145 0.000 1.020 265 V HN 0.704 nan 8.190 nan 0.000 0.456 266 G N 0.419 109.184 108.800 -0.058 0.000 2.587 266 G HA2 -0.049 3.928 3.960 0.029 0.000 0.212 266 G HA3 -0.049 3.928 3.960 0.029 0.000 0.212 266 G C -0.215 174.680 174.900 -0.008 0.000 1.327 266 G CA 0.084 45.178 45.100 -0.010 0.000 0.898 266 G HN 0.898 nan 8.290 nan 0.000 0.551 267 S N -2.230 113.501 115.700 0.050 0.000 2.702 267 S HA 0.867 5.354 4.470 0.029 0.000 0.272 267 S C 0.211 174.900 174.600 0.150 0.000 1.068 267 S CA 0.633 58.863 58.200 0.049 0.000 0.964 267 S CB 1.012 64.230 63.200 0.030 0.000 1.307 267 S HN 2.084 nan 8.310 nan 0.000 0.567 268 V N -0.294 119.696 119.914 0.126 0.000 3.001 268 V HA 0.717 4.854 4.120 0.029 0.000 0.314 268 V C -0.773 175.379 176.094 0.097 0.000 1.099 268 V CA -1.110 61.290 62.300 0.167 0.000 0.989 268 V CB 1.445 33.302 31.823 0.057 0.000 1.040 268 V HN 0.785 nan 8.190 nan 0.000 0.434 269 R N 1.290 121.841 120.500 0.085 0.000 2.500 269 R HA 0.635 4.993 4.340 0.029 0.000 0.277 269 R C -0.655 175.630 176.300 -0.025 0.000 1.026 269 R CA -0.766 55.309 56.100 -0.041 0.000 1.058 269 R CB 1.314 31.547 30.300 -0.112 0.000 1.078 269 R HN 0.673 nan 8.270 nan 0.000 0.509 270 L N 3.546 124.740 121.223 -0.047 0.000 2.485 270 L HA 0.084 4.442 4.340 0.029 0.000 0.275 270 L C -1.049 175.797 176.870 -0.040 0.000 1.207 270 L CA -0.996 53.821 54.840 -0.039 0.000 0.855 270 L CB 0.453 42.486 42.059 -0.043 0.000 1.114 270 L HN 0.507 nan 8.230 nan 0.000 0.485 271 P HA 0.120 nan 4.420 nan 0.000 0.255 271 P C -0.178 177.107 177.300 -0.024 0.000 1.301 271 P CA 0.309 63.390 63.100 -0.032 0.000 0.817 271 P CB 0.147 31.825 31.700 -0.036 0.000 1.259 272 L N -0.125 121.087 121.223 -0.019 0.000 2.416 272 L HA 0.493 4.851 4.340 0.029 0.000 0.262 272 L C 0.428 177.289 176.870 -0.014 0.000 1.093 272 L CA -1.002 53.829 54.840 -0.014 0.000 0.801 272 L CB 0.868 42.922 42.059 -0.008 0.000 1.191 272 L HN -0.180 nan 8.230 nan 0.000 0.459 273 L N 0.879 122.092 121.223 -0.016 0.000 2.434 273 L HA 0.480 4.837 4.340 0.029 0.000 0.260 273 L C -2.404 174.455 176.870 -0.019 0.000 0.983 273 L CA -1.905 52.925 54.840 -0.016 0.000 0.820 273 L CB 2.505 44.554 42.059 -0.017 0.000 1.361 273 L HN 0.318 nan 8.230 nan 0.000 0.410 274 P HA 0.023 nan 4.420 nan 0.000 0.266 274 P C -0.485 176.800 177.300 -0.025 0.000 1.193 274 P CA -0.384 62.703 63.100 -0.022 0.000 0.770 274 P CB 0.308 31.997 31.700 -0.019 0.000 0.836 275 L N 1.934 123.139 121.223 -0.031 0.000 2.516 275 L HA 0.046 4.404 4.340 0.029 0.000 0.288 275 L C 1.428 178.285 176.870 -0.022 0.000 1.246 275 L CA 0.955 55.777 54.840 -0.029 0.000 0.844 275 L CB -0.613 41.425 42.059 -0.035 0.000 1.106 275 L HN 0.517 nan 8.230 nan 0.000 0.509 276 T N -1.146 113.397 114.554 -0.018 0.000 2.754 276 T HA 0.155 4.523 4.350 0.029 0.000 0.286 276 T C 0.976 175.667 174.700 -0.015 0.000 0.997 276 T CA -0.367 61.724 62.100 -0.015 0.000 0.982 276 T CB 0.701 69.562 68.868 -0.011 0.000 1.027 276 T HN 0.573 nan 8.240 nan 0.000 0.529 277 E N 0.043 120.236 120.200 -0.012 0.000 2.077 277 E HA -0.167 4.201 4.350 0.029 0.000 0.193 277 E C 2.043 178.637 176.600 -0.011 0.000 0.989 277 E CA 1.640 58.033 56.400 -0.012 0.000 0.800 277 E CB -0.364 29.331 29.700 -0.010 0.000 0.746 277 E HN 0.816 nan 8.360 nan 0.000 0.452 278 E N 0.174 120.368 120.200 -0.009 0.000 2.077 278 E HA -0.241 4.127 4.350 0.029 0.000 0.193 278 E C 1.903 178.498 176.600 -0.008 0.000 0.989 278 E CA 1.354 57.750 56.400 -0.007 0.000 0.800 278 E CB -0.053 29.644 29.700 -0.006 0.000 0.746 278 E HN 0.406 nan 8.360 nan 0.000 0.452 279 E N -0.057 120.136 120.200 -0.011 0.000 2.110 279 E HA -0.164 4.204 4.350 0.029 0.000 0.193 279 E C 2.337 178.926 176.600 -0.017 0.000 0.988 279 E CA 0.544 56.936 56.400 -0.013 0.000 0.804 279 E CB 0.009 29.699 29.700 -0.016 0.000 0.745 279 E HN 0.123 nan 8.360 nan 0.000 0.458 280 R N 0.470 120.959 120.500 -0.019 0.000 2.073 280 R HA -0.108 4.250 4.340 0.029 0.000 0.234 280 R C 2.429 178.719 176.300 -0.016 0.000 1.134 280 R CA 0.884 56.971 56.100 -0.021 0.000 0.952 280 R CB -0.507 29.781 30.300 -0.021 0.000 0.850 280 R HN 0.098 nan 8.270 nan 0.000 0.433 281 V N 0.686 120.593 119.914 -0.012 0.000 2.252 281 V HA -0.302 3.835 4.120 0.029 0.000 0.249 281 V C 2.261 178.351 176.094 -0.007 0.000 1.056 281 V CA 2.368 64.663 62.300 -0.009 0.000 1.022 281 V CB -0.640 31.179 31.823 -0.007 0.000 0.641 281 V HN 0.458 nan 8.190 nan 0.000 0.445 282 T N 0.276 114.826 114.554 -0.007 0.000 2.699 282 T HA -0.235 4.133 4.350 0.029 0.000 0.268 282 T C 1.806 176.503 174.700 -0.006 0.000 1.036 282 T CA 2.019 64.117 62.100 -0.004 0.000 1.147 282 T CB -0.360 68.506 68.868 -0.003 0.000 0.862 282 T HN 0.315 nan 8.240 nan 0.000 0.446 283 L N 1.001 122.217 121.223 -0.011 0.000 2.072 283 L HA 0.054 4.412 4.340 0.029 0.000 0.205 283 L C 2.544 179.406 176.870 -0.013 0.000 1.079 283 L CA 1.768 56.599 54.840 -0.015 0.000 0.752 283 L CB -1.010 41.032 42.059 -0.028 0.000 0.906 283 L HN 0.135 nan 8.230 nan 0.000 0.436 284 Q N -0.310 119.482 119.800 -0.013 0.000 2.062 284 Q HA -0.240 4.118 4.340 0.029 0.000 0.209 284 Q C 2.177 178.174 176.000 -0.005 0.000 0.996 284 Q CA 2.836 58.633 55.803 -0.010 0.000 0.859 284 Q CB -0.452 28.280 28.738 -0.010 0.000 0.920 284 Q HN 0.618 nan 8.270 nan 0.000 0.415 285 S N -0.746 114.952 115.700 -0.003 0.000 2.365 285 S HA -0.189 4.298 4.470 0.029 0.000 0.225 285 S C 1.947 176.549 174.600 0.002 0.000 1.039 285 S CA 1.489 59.689 58.200 -0.000 0.000 1.033 285 S CB -0.610 62.590 63.200 0.001 0.000 0.887 285 S HN 0.296 nan 8.310 nan 0.000 0.447 286 V N 2.203 122.118 119.914 0.002 0.000 2.343 286 V HA -0.160 3.978 4.120 0.029 0.000 0.247 286 V C 2.383 178.481 176.094 0.006 0.000 1.051 286 V CA 1.434 63.737 62.300 0.004 0.000 1.036 286 V CB -0.614 31.212 31.823 0.005 0.000 0.654 286 V HN 0.450 nan 8.190 nan 0.000 0.451 287 M N -0.615 118.987 119.600 0.003 0.000 2.213 287 M HA -0.192 4.306 4.480 0.029 0.000 0.263 287 M C 2.111 178.416 176.300 0.008 0.000 1.062 287 M CA 1.560 56.864 55.300 0.006 0.000 1.105 287 M CB -1.228 31.373 32.600 0.001 0.000 1.385 287 M HN 0.416 nan 8.290 nan 0.000 0.417 288 Q N -0.252 119.551 119.800 0.006 0.000 2.488 288 Q HA -0.053 4.304 4.340 0.029 0.000 0.211 288 Q C 1.737 177.742 176.000 0.008 0.000 0.967 288 Q CA 1.235 57.042 55.803 0.007 0.000 0.926 288 Q CB -0.091 28.649 28.738 0.004 0.000 0.992 288 Q HN 0.584 nan 8.270 nan 0.000 0.506 289 S N -0.669 115.037 115.700 0.009 0.000 2.556 289 S HA 0.161 4.649 4.470 0.029 0.000 0.216 289 S C 0.522 175.130 174.600 0.013 0.000 0.970 289 S CA -0.448 57.758 58.200 0.010 0.000 0.912 289 S CB 0.107 63.313 63.200 0.009 0.000 0.790 289 S HN 0.148 nan 8.310 nan 0.000 0.504 290 I N 3.526 124.105 120.570 0.015 0.000 2.452 290 I HA 0.277 4.464 4.170 0.029 0.000 0.287 290 I C -2.213 173.915 176.117 0.018 0.000 1.079 290 I CA -2.257 59.054 61.300 0.018 0.000 1.387 290 I CB 0.571 38.585 38.000 0.023 0.000 1.404 290 I HN 0.091 nan 8.210 nan 0.000 0.522 291 P HA 0.123 nan 4.420 nan 0.000 0.266 291 P C -0.264 177.046 177.300 0.017 0.000 1.195 291 P CA -0.207 62.903 63.100 0.017 0.000 0.768 291 P CB 0.497 32.207 31.700 0.017 0.000 0.838 292 R N 0.000 120.509 120.500 0.015 0.000 2.786 292 R HA 0.000 4.358 4.340 0.029 0.000 0.208 292 R CA 0.000 56.109 56.100 0.015 0.000 0.921 292 R CB 0.000 30.308 30.300 0.014 0.000 0.687 292 R HN 0.000 nan 8.270 nan 0.000 0.535