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 3pbm_1_B DATA FIRST_RESID 4 DATA SEQUENCE YEWLNALPKA ELHLHLEGTL EPELLFALAE RNRIALPWND VETLRKAYAF DATA SEQUENCE NNLQEFLDLY YAGADVLRTE QDFYDLTWAY LQKCKAQNVV HVEPFFDPQT DATA SEQUENCE HTDRGIPFEV VLAGIRAALR DGEKLLGIRH GLILSFLRHL SEEQAQKTLD DATA SEQUENCE QALPFRDAFI AVGLDSSEVG HPPSKFQRVF DRARSEGFLT VAHAGEEGPP DATA SEQUENCE EYIWEALDLL KVERIDHGVR AFEDERLXRR LIDEQIPLTV CPLSNTKLCV DATA SEQUENCE FDDXSQHTIL DXLERGVKVT VNSDDPAYFG GYVTENFHAL QQSLGXTEEQ DATA SEQUENCE ARRLAQNSLD ARLV 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 4 Y HA 0.000 nan 4.550 nan 0.000 0.201 4 Y C 0.000 175.919 175.900 0.031 0.000 1.272 4 Y CA 0.000 58.099 58.100 -0.002 0.000 1.940 4 Y CB 0.000 38.316 38.460 -0.241 0.000 1.050 5 E N 0.771 121.121 120.200 0.251 0.000 2.160 5 E HA -0.235 4.116 4.350 0.001 0.000 0.195 5 E C 1.455 178.085 176.600 0.050 0.000 0.991 5 E CA 1.747 58.226 56.400 0.133 0.000 0.810 5 E CB -0.494 29.297 29.700 0.152 0.000 0.742 5 E HN 0.713 nan 8.360 nan 0.000 0.466 6 W N 0.641 121.904 121.300 -0.061 0.000 2.453 6 W HA -0.036 4.625 4.660 0.001 0.000 0.289 6 W C 1.850 178.279 176.519 -0.151 0.000 1.215 6 W CA 0.799 58.097 57.345 -0.078 0.000 1.297 6 W CB -0.229 29.209 29.460 -0.035 0.000 1.113 6 W HN -0.025 nan 8.180 nan 0.000 0.551 7 L N 0.731 121.951 121.223 -0.005 0.000 2.093 7 L HA -0.211 4.130 4.340 0.001 0.000 0.208 7 L C 2.149 178.703 176.870 -0.526 0.000 1.085 7 L CA 1.754 56.420 54.840 -0.290 0.000 0.755 7 L CB -0.986 41.004 42.059 -0.115 0.000 0.904 7 L HN 0.040 nan 8.230 nan 0.000 0.435 8 N N -0.146 118.275 118.700 -0.465 0.000 2.459 8 N HA -0.092 4.648 4.740 0.001 0.000 0.181 8 N C 1.546 176.853 175.510 -0.337 0.000 1.046 8 N CA 0.958 53.755 53.050 -0.422 0.000 0.904 8 N CB 0.141 38.397 38.487 -0.386 0.000 0.964 8 N HN 0.279 nan 8.380 nan 0.000 0.444 9 A N -0.479 122.126 122.820 -0.359 0.000 2.132 9 A HA 0.176 4.496 4.320 0.001 0.000 0.213 9 A C 0.255 177.611 177.584 -0.381 0.000 1.154 9 A CA -0.132 51.717 52.037 -0.312 0.000 0.753 9 A CB -0.081 18.753 19.000 -0.275 0.000 0.826 9 A HN 0.174 nan 8.150 nan 0.000 0.469 10 L N 1.626 122.528 121.223 -0.534 0.000 2.615 10 L HA 0.178 4.518 4.340 0.001 0.000 0.271 10 L C -2.391 174.264 176.870 -0.358 0.000 1.183 10 L CA -1.772 52.751 54.840 -0.529 0.000 0.933 10 L CB 0.057 41.691 42.059 -0.709 0.000 1.199 10 L HN 0.035 nan 8.230 nan 0.000 0.487 11 P HA 0.190 nan 4.420 nan 0.000 0.271 11 P C -1.127 176.083 177.300 -0.149 0.000 1.220 11 P CA -0.072 62.925 63.100 -0.171 0.000 0.768 11 P CB 0.587 32.213 31.700 -0.123 0.000 0.848 12 K N 1.550 121.888 120.400 -0.103 0.000 2.443 12 K HA 0.832 5.152 4.320 0.001 0.000 0.251 12 K C -1.015 175.598 176.600 0.022 0.000 0.972 12 K CA -1.000 55.262 56.287 -0.043 0.000 0.833 12 K CB 2.315 34.789 32.500 -0.044 0.000 1.317 12 K HN 0.300 nan 8.250 nan 0.000 0.441 13 A N 1.111 123.965 122.820 0.056 0.000 2.330 13 A HA 0.410 4.731 4.320 0.001 0.000 0.327 13 A C -1.088 176.568 177.584 0.120 0.000 1.155 13 A CA -0.489 51.610 52.037 0.103 0.000 0.803 13 A CB 0.876 19.904 19.000 0.048 0.000 1.208 13 A HN 0.789 nan 8.150 nan 0.000 0.477 14 E N 2.345 122.636 120.200 0.151 0.000 2.092 14 E HA 0.510 4.860 4.350 0.001 0.000 0.271 14 E C -0.499 176.158 176.600 0.094 0.000 0.919 14 E CA -0.294 56.190 56.400 0.140 0.000 0.760 14 E CB 0.554 30.376 29.700 0.203 0.000 1.106 14 E HN 0.646 nan 8.360 nan 0.000 0.408 15 L N 3.725 124.975 121.223 0.045 0.000 2.766 15 L HA 0.288 4.629 4.340 0.001 0.000 0.242 15 L C 0.249 177.039 176.870 -0.133 0.000 1.136 15 L CA -0.146 54.677 54.840 -0.029 0.000 0.933 15 L CB 0.249 42.315 42.059 0.011 0.000 1.241 15 L HN 0.564 nan 8.230 nan 0.000 0.522 16 H N 1.556 120.493 119.070 -0.221 0.000 2.852 16 H HA 0.452 5.008 4.556 0.001 0.000 0.274 16 H C -1.625 173.589 175.328 -0.189 0.000 1.321 16 H CA -0.418 55.479 56.048 -0.253 0.000 1.582 16 H CB 1.054 30.748 29.762 -0.114 0.000 1.699 16 H HN -0.098 nan 8.280 nan 0.000 0.546 17 L N 5.157 126.293 121.223 -0.145 0.000 2.562 17 L HA 0.324 4.665 4.340 0.001 0.000 0.266 17 L C -1.442 175.350 176.870 -0.131 0.000 0.949 17 L CA -0.381 54.417 54.840 -0.070 0.000 0.879 17 L CB 1.647 43.621 42.059 -0.142 0.000 1.278 17 L HN 0.747 nan 8.230 nan 0.000 0.404 18 H N 6.451 125.655 119.070 0.224 0.000 2.562 18 H HA 0.235 4.791 4.556 0.001 0.000 0.314 18 H C 1.029 176.435 175.328 0.131 0.000 1.079 18 H CA -0.379 55.845 56.048 0.294 0.000 1.349 18 H CB 2.391 32.369 29.762 0.361 0.000 1.432 18 H HN 0.654 nan 8.280 nan 0.000 0.479 19 L N 2.063 123.412 121.223 0.209 0.000 2.083 19 L HA -0.190 4.151 4.340 0.001 0.000 0.209 19 L C 1.788 178.787 176.870 0.215 0.000 1.083 19 L CA 1.305 56.212 54.840 0.112 0.000 0.752 19 L CB -0.106 42.043 42.059 0.150 0.000 0.899 19 L HN 0.557 nan 8.230 nan 0.000 0.433 20 E N 0.049 120.441 120.200 0.321 0.000 2.265 20 E HA -0.126 4.224 4.350 0.001 0.000 0.196 20 E C 1.976 178.767 176.600 0.318 0.000 0.996 20 E CA 1.012 57.554 56.400 0.237 0.000 0.832 20 E CB -0.266 29.465 29.700 0.052 0.000 0.756 20 E HN 0.426 nan 8.360 nan 0.000 0.491 21 G N -0.046 109.030 108.800 0.460 0.000 3.042 21 G HA2 -0.084 3.876 3.960 0.001 0.000 0.212 21 G HA3 -0.084 3.876 3.960 0.001 0.000 0.212 21 G C 1.156 176.263 174.900 0.346 0.000 1.166 21 G CA 0.702 46.080 45.100 0.463 0.000 0.767 21 G HN 0.353 nan 8.290 nan 0.000 0.546 22 T N -1.893 112.808 114.554 0.245 0.000 3.105 22 T HA 0.240 4.591 4.350 0.001 0.000 0.253 22 T C 0.883 175.713 174.700 0.217 0.000 1.047 22 T CA -0.502 61.719 62.100 0.202 0.000 0.944 22 T CB 0.120 69.100 68.868 0.187 0.000 1.016 22 T HN -0.021 nan 8.240 nan 0.000 0.544 23 L N 3.711 125.069 121.223 0.224 0.000 2.574 23 L HA 0.277 4.617 4.340 0.001 0.000 0.281 23 L C 0.009 176.928 176.870 0.081 0.000 1.212 23 L CA -0.103 54.830 54.840 0.156 0.000 1.082 23 L CB -0.984 41.182 42.059 0.178 0.000 1.362 23 L HN 0.152 nan 8.230 nan 0.000 0.451 24 E N 5.686 125.942 120.200 0.093 0.000 2.442 24 E HA -0.012 4.338 4.350 0.001 0.000 0.262 24 E C -1.561 175.057 176.600 0.030 0.000 1.004 24 E CA -1.648 54.787 56.400 0.059 0.000 0.928 24 E CB 0.364 30.108 29.700 0.074 0.000 0.937 24 E HN 0.401 nan 8.360 nan 0.000 0.446 25 P HA -0.166 nan 4.420 nan 0.000 0.216 25 P C 0.704 178.029 177.300 0.042 0.000 1.150 25 P CA 1.366 64.440 63.100 -0.043 0.000 0.843 25 P CB 0.367 31.925 31.700 -0.237 0.000 0.787 26 E N -1.073 119.124 120.200 -0.006 0.000 2.150 26 E HA -0.118 4.232 4.350 0.001 0.000 0.193 26 E C 1.812 178.468 176.600 0.094 0.000 0.985 26 E CA 0.615 57.029 56.400 0.023 0.000 0.814 26 E CB -1.012 28.678 29.700 -0.017 0.000 0.752 26 E HN 0.139 nan 8.360 nan 0.000 0.466 27 L N 0.159 121.430 121.223 0.079 0.000 2.156 27 L HA 0.013 4.354 4.340 0.001 0.000 0.208 27 L C 1.958 178.890 176.870 0.102 0.000 1.095 27 L CA 1.084 55.974 54.840 0.083 0.000 0.770 27 L CB -0.215 41.885 42.059 0.068 0.000 0.914 27 L HN 0.182 nan 8.230 nan 0.000 0.439 28 L N -1.746 119.555 121.223 0.129 0.000 2.012 28 L HA -0.237 4.103 4.340 0.001 0.000 0.210 28 L C 2.203 179.169 176.870 0.159 0.000 1.073 28 L CA 1.635 56.560 54.840 0.142 0.000 0.748 28 L CB -0.322 41.839 42.059 0.170 0.000 0.891 28 L HN 0.199 nan 8.230 nan 0.000 0.431 29 F N -0.442 119.531 119.950 0.037 0.000 2.163 29 F HA -0.112 4.416 4.527 0.001 0.000 0.297 29 F C 2.489 178.313 175.800 0.040 0.000 1.094 29 F CA 1.127 59.157 58.000 0.050 0.000 1.290 29 F CB -0.841 38.180 39.000 0.034 0.000 1.017 29 F HN 0.143 nan 8.300 nan 0.000 0.483 30 A N 0.135 123.073 122.820 0.196 0.000 1.883 30 A HA -0.172 4.148 4.320 0.001 0.000 0.217 30 A C 2.256 179.880 177.584 0.067 0.000 1.186 30 A CA 1.687 53.792 52.037 0.113 0.000 0.624 30 A CB -1.125 17.932 19.000 0.094 0.000 0.822 30 A HN 0.384 nan 8.150 nan 0.000 0.444 31 L N -1.000 120.254 121.223 0.053 0.000 2.093 31 L HA -0.143 4.197 4.340 0.001 0.000 0.208 31 L C 3.103 179.974 176.870 0.001 0.000 1.085 31 L CA 0.869 55.720 54.840 0.018 0.000 0.755 31 L CB -0.593 41.465 42.059 -0.003 0.000 0.904 31 L HN 0.448 nan 8.230 nan 0.000 0.435 32 A N 0.259 123.071 122.820 -0.013 0.000 1.883 32 A HA -0.286 4.034 4.320 0.001 0.000 0.217 32 A C 2.266 179.827 177.584 -0.038 0.000 1.186 32 A CA 2.076 54.081 52.037 -0.054 0.000 0.624 32 A CB -0.555 18.354 19.000 -0.153 0.000 0.822 32 A HN 0.507 nan 8.150 nan 0.000 0.444 33 E N -0.461 119.730 120.200 -0.014 0.000 2.077 33 E HA -0.240 4.111 4.350 0.001 0.000 0.193 33 E C 2.250 178.856 176.600 0.011 0.000 0.989 33 E CA 1.237 57.641 56.400 0.007 0.000 0.800 33 E CB -0.185 29.539 29.700 0.040 0.000 0.746 33 E HN 0.565 nan 8.360 nan 0.000 0.452 34 R N 0.227 120.737 120.500 0.017 0.000 2.105 34 R HA -0.106 4.235 4.340 0.001 0.000 0.239 34 R C 1.335 177.640 176.300 0.009 0.000 1.135 34 R CA 2.041 58.150 56.100 0.016 0.000 0.967 34 R CB -0.142 30.170 30.300 0.020 0.000 0.861 34 R HN 0.257 nan 8.270 nan 0.000 0.442 35 N N -0.153 118.548 118.700 0.002 0.000 2.336 35 N HA 0.062 4.803 4.740 0.001 0.000 0.189 35 N C -0.531 174.977 175.510 -0.003 0.000 1.113 35 N CA -0.054 52.996 53.050 0.001 0.000 0.858 35 N CB 0.372 38.858 38.487 -0.003 0.000 0.970 35 N HN 0.110 nan 8.380 nan 0.000 0.471 36 R N 0.076 120.573 120.500 -0.006 0.000 3.651 36 R HA -0.169 4.171 4.340 0.001 0.000 0.292 36 R C -0.874 175.415 176.300 -0.019 0.000 1.161 36 R CA 0.447 56.542 56.100 -0.009 0.000 0.787 36 R CB -2.385 27.913 30.300 -0.003 0.000 1.249 36 R HN 0.306 nan 8.270 nan 0.000 0.476 37 I N 1.311 121.863 120.570 -0.030 0.000 2.396 37 I HA 0.200 4.370 4.170 0.001 0.000 0.289 37 I C 1.134 177.212 176.117 -0.066 0.000 1.056 37 I CA -0.055 61.219 61.300 -0.043 0.000 1.365 37 I CB 1.287 39.262 38.000 -0.042 0.000 1.407 37 I HN 0.182 nan 8.210 nan 0.000 0.509 38 A N 8.340 131.123 122.820 -0.062 0.000 2.410 38 A HA 0.407 4.727 4.320 0.001 0.000 0.292 38 A C 0.074 177.592 177.584 -0.109 0.000 1.232 38 A CA -0.324 51.669 52.037 -0.074 0.000 0.893 38 A CB -0.289 18.679 19.000 -0.053 0.000 1.131 38 A HN 0.686 nan 8.150 nan 0.000 0.530 39 L N 3.599 124.734 121.223 -0.147 0.000 2.452 39 L HA 0.175 4.515 4.340 0.001 0.000 0.267 39 L C -0.994 175.745 176.870 -0.218 0.000 1.188 39 L CA -1.437 53.294 54.840 -0.182 0.000 0.821 39 L CB 0.636 42.574 42.059 -0.201 0.000 1.102 39 L HN 0.523 nan 8.230 nan 0.000 0.470 40 P HA -0.082 nan 4.420 nan 0.000 0.230 40 P C -0.648 176.317 177.300 -0.559 0.000 1.158 40 P CA 0.888 63.617 63.100 -0.619 0.000 0.769 40 P CB 0.190 31.243 31.700 -1.079 0.000 0.807 41 W N 0.241 121.588 121.300 0.078 0.000 2.429 41 W HA 0.234 4.895 4.660 0.001 0.000 0.314 41 W C 1.194 177.848 176.519 0.224 0.000 1.062 41 W CA -0.848 56.598 57.345 0.168 0.000 1.211 41 W CB 0.450 30.070 29.460 0.267 0.000 1.305 41 W HN -0.126 nan 8.180 nan 0.000 0.476 42 N N 2.349 121.258 118.700 0.348 0.000 2.027 42 N HA -0.251 4.490 4.740 0.001 0.000 0.200 42 N C 0.058 175.781 175.510 0.354 0.000 1.042 42 N CA 2.362 55.570 53.050 0.264 0.000 0.871 42 N CB 0.106 38.694 38.487 0.169 0.000 1.063 42 N HN 0.579 nan 8.380 nan 0.000 0.438 43 D N -2.927 117.645 120.400 0.287 0.000 2.744 43 D HA 0.167 4.807 4.640 0.001 0.000 0.304 43 D C 0.737 176.829 176.300 -0.347 0.000 1.179 43 D CA -0.459 53.557 54.000 0.027 0.000 1.024 43 D CB 1.034 41.803 40.800 -0.052 0.000 1.453 43 D HN -0.085 nan 8.370 nan 0.000 0.529 44 V N -0.460 118.939 119.914 -0.858 0.000 2.667 44 V HA -0.125 3.995 4.120 0.001 0.000 0.252 44 V C 1.726 177.571 176.094 -0.415 0.000 1.065 44 V CA 2.259 64.065 62.300 -0.823 0.000 1.083 44 V CB -0.556 30.775 31.823 -0.820 0.000 0.692 44 V HN 0.690 nan 8.190 nan 0.000 0.468 45 E N -0.049 119.979 120.200 -0.287 0.000 2.077 45 E HA -0.226 4.125 4.350 0.001 0.000 0.193 45 E C 2.115 178.618 176.600 -0.162 0.000 0.989 45 E CA 2.011 58.295 56.400 -0.195 0.000 0.800 45 E CB -0.257 29.367 29.700 -0.125 0.000 0.746 45 E HN 0.679 nan 8.360 nan 0.000 0.452 46 T N 1.658 116.154 114.554 -0.097 0.000 2.777 46 T HA -0.148 4.202 4.350 0.001 0.000 0.266 46 T C 1.753 176.413 174.700 -0.066 0.000 1.040 46 T CA 1.085 63.184 62.100 -0.002 0.000 1.141 46 T CB -0.277 68.673 68.868 0.138 0.000 0.868 46 T HN 0.132 nan 8.240 nan 0.000 0.444 47 L N 1.858 122.960 121.223 -0.200 0.000 2.012 47 L HA 0.000 4.341 4.340 0.001 0.000 0.210 47 L C 2.407 178.963 176.870 -0.524 0.000 1.073 47 L CA 1.850 56.370 54.840 -0.533 0.000 0.748 47 L CB -0.688 41.028 42.059 -0.572 0.000 0.891 47 L HN 0.101 nan 8.230 nan 0.000 0.431 48 R N -0.465 119.699 120.500 -0.561 0.000 2.189 48 R HA -0.125 4.216 4.340 0.001 0.000 0.223 48 R C 2.098 178.171 176.300 -0.379 0.000 1.092 48 R CA 1.141 56.794 56.100 -0.746 0.000 0.989 48 R CB -0.138 29.820 30.300 -0.571 0.000 0.876 48 R HN 0.372 nan 8.270 nan 0.000 0.457 49 K N -0.145 120.129 120.400 -0.210 0.000 2.362 49 K HA -0.016 4.305 4.320 0.001 0.000 0.200 49 K C 1.620 178.201 176.600 -0.031 0.000 1.046 49 K CA 0.915 57.147 56.287 -0.091 0.000 0.952 49 K CB 0.141 32.613 32.500 -0.046 0.000 0.753 49 K HN 0.231 nan 8.250 nan 0.000 0.466 50 A N 0.279 123.098 122.820 -0.002 0.000 2.206 50 A HA -0.063 4.258 4.320 0.001 0.000 0.211 50 A C 0.371 178.047 177.584 0.154 0.000 1.158 50 A CA 0.456 52.566 52.037 0.121 0.000 0.761 50 A CB -0.184 18.939 19.000 0.205 0.000 0.801 50 A HN 0.181 nan 8.150 nan 0.000 0.473 51 Y N 0.661 120.846 120.300 -0.191 0.000 3.007 51 Y HA 0.495 5.045 4.550 0.001 0.000 0.390 51 Y C 0.774 176.211 175.900 -0.772 0.000 1.065 51 Y CA -0.725 57.171 58.100 -0.340 0.000 1.845 51 Y CB -1.130 37.295 38.460 -0.058 0.000 1.828 51 Y HN 0.315 nan 8.280 nan 0.000 0.458 52 A N 0.608 122.930 122.820 -0.830 0.000 2.374 52 A HA 0.833 5.154 4.320 0.001 0.000 0.305 52 A C -1.491 175.686 177.584 -0.679 0.000 1.053 52 A CA -0.485 51.156 52.037 -0.660 0.000 0.726 52 A CB 0.966 19.834 19.000 -0.220 0.000 1.229 52 A HN 0.130 nan 8.150 nan 0.000 0.431 53 F N 1.187 121.211 119.950 0.125 0.000 2.557 53 F HA 0.392 4.919 4.527 0.001 0.000 0.316 53 F C 0.861 176.699 175.800 0.062 0.000 1.141 53 F CA -0.896 57.173 58.000 0.115 0.000 0.922 53 F CB 2.277 41.362 39.000 0.142 0.000 1.194 53 F HN 0.660 nan 8.300 nan 0.000 0.443 54 N N 1.774 120.613 118.700 0.230 0.000 2.376 54 N HA -0.024 4.717 4.740 0.001 0.000 0.177 54 N C -0.340 175.228 175.510 0.098 0.000 1.024 54 N CA 0.833 53.959 53.050 0.127 0.000 0.893 54 N CB 0.191 38.737 38.487 0.098 0.000 0.980 54 N HN 0.769 nan 8.380 nan 0.000 0.439 55 N N -1.937 116.837 118.700 0.123 0.000 3.261 55 N HA 0.032 4.772 4.740 0.001 0.000 0.248 55 N C 0.076 175.621 175.510 0.058 0.000 1.498 55 N CA -0.646 52.436 53.050 0.053 0.000 0.884 55 N CB 0.166 38.669 38.487 0.026 0.000 1.428 55 N HN -0.082 nan 8.380 nan 0.000 0.517 56 L N -0.079 121.145 121.223 0.002 0.000 1.997 56 L HA -0.187 4.153 4.340 0.001 0.000 0.216 56 L C 2.297 179.203 176.870 0.060 0.000 1.074 56 L CA 2.386 57.241 54.840 0.024 0.000 0.763 56 L CB -0.995 41.059 42.059 -0.008 0.000 0.890 56 L HN 0.856 nan 8.230 nan 0.000 0.434 57 Q N -0.068 119.755 119.800 0.039 0.000 2.112 57 Q HA -0.291 4.049 4.340 0.001 0.000 0.206 57 Q C 2.253 178.277 176.000 0.041 0.000 0.987 57 Q CA 2.339 58.159 55.803 0.027 0.000 0.858 57 Q CB -0.361 28.399 28.738 0.036 0.000 0.905 57 Q HN 0.710 nan 8.270 nan 0.000 0.420 58 E N -1.353 118.911 120.200 0.107 0.000 2.077 58 E HA -0.185 4.166 4.350 0.001 0.000 0.193 58 E C 1.711 178.443 176.600 0.221 0.000 0.989 58 E CA 1.124 57.637 56.400 0.189 0.000 0.800 58 E CB -0.361 29.498 29.700 0.264 0.000 0.746 58 E HN 0.474 nan 8.360 nan 0.000 0.452 59 F N 1.258 121.153 119.950 -0.091 0.000 2.075 59 F HA -0.165 4.362 4.527 0.001 0.000 0.297 59 F C 1.783 177.367 175.800 -0.360 0.000 1.113 59 F CA 1.411 59.085 58.000 -0.542 0.000 1.218 59 F CB -0.439 37.957 39.000 -1.006 0.000 0.984 59 F HN -0.005 nan 8.300 nan 0.000 0.472 60 L N 0.277 121.059 121.223 -0.735 0.000 2.079 60 L HA -0.252 4.088 4.340 0.001 0.000 0.210 60 L C 2.226 178.823 176.870 -0.455 0.000 1.081 60 L CA 1.577 55.899 54.840 -0.864 0.000 0.752 60 L CB -0.958 40.860 42.059 -0.401 0.000 0.896 60 L HN 0.169 nan 8.230 nan 0.000 0.433 61 D N -0.029 120.283 120.400 -0.146 0.000 2.104 61 D HA -0.200 4.441 4.640 0.001 0.000 0.194 61 D C 2.052 178.388 176.300 0.060 0.000 0.994 61 D CA 1.137 55.158 54.000 0.035 0.000 0.830 61 D CB -0.182 40.670 40.800 0.087 0.000 0.959 61 D HN 0.137 nan 8.370 nan 0.000 0.452 62 L N -0.211 121.046 121.223 0.057 0.000 2.056 62 L HA -0.144 4.197 4.340 0.001 0.000 0.207 62 L C 2.245 179.161 176.870 0.077 0.000 1.078 62 L CA 1.422 56.384 54.840 0.202 0.000 0.749 62 L CB -0.741 41.530 42.059 0.353 0.000 0.901 62 L HN 0.105 nan 8.230 nan 0.000 0.433 63 Y N -1.649 118.329 120.300 -0.537 0.000 2.224 63 Y HA -0.322 4.229 4.550 0.001 0.000 0.289 63 Y C 2.011 177.647 175.900 -0.440 0.000 1.146 63 Y CA 1.883 59.460 58.100 -0.871 0.000 1.182 63 Y CB -0.210 37.139 38.460 -1.851 0.000 0.983 63 Y HN 0.241 nan 8.280 nan 0.000 0.524 64 Y N -0.297 119.851 120.300 -0.254 0.000 2.243 64 Y HA 0.029 4.580 4.550 0.001 0.000 0.293 64 Y C 2.652 178.506 175.900 -0.077 0.000 1.124 64 Y CA 0.667 58.632 58.100 -0.226 0.000 1.159 64 Y CB -1.245 37.135 38.460 -0.133 0.000 1.008 64 Y HN 0.210 nan 8.280 nan 0.000 0.527 65 A N 0.251 123.180 122.820 0.180 0.000 1.986 65 A HA -0.176 4.144 4.320 0.001 0.000 0.220 65 A C 2.569 180.305 177.584 0.253 0.000 1.171 65 A CA 1.913 54.075 52.037 0.209 0.000 0.640 65 A CB -1.436 17.734 19.000 0.283 0.000 0.811 65 A HN 0.482 nan 8.150 nan 0.000 0.451 66 G N -0.764 108.176 108.800 0.232 0.000 2.403 66 G HA2 0.074 4.035 3.960 0.001 0.000 0.216 66 G HA3 0.074 4.035 3.960 0.001 0.000 0.216 66 G C 1.691 176.670 174.900 0.131 0.000 1.154 66 G CA 1.109 46.348 45.100 0.232 0.000 0.784 66 G HN 0.831 nan 8.290 nan 0.000 0.538 67 A N 1.123 123.982 122.820 0.065 0.000 2.084 67 A HA -0.133 4.188 4.320 0.001 0.000 0.221 67 A C 1.974 179.623 177.584 0.107 0.000 1.161 67 A CA 2.194 54.285 52.037 0.090 0.000 0.653 67 A CB -0.568 18.498 19.000 0.109 0.000 0.802 67 A HN 0.391 nan 8.150 nan 0.000 0.457 68 D N 0.124 120.584 120.400 0.100 0.000 2.191 68 D HA -0.189 4.451 4.640 0.001 0.000 0.195 68 D C 1.823 178.152 176.300 0.050 0.000 1.003 68 D CA 2.154 56.200 54.000 0.078 0.000 0.867 68 D CB -0.264 40.576 40.800 0.066 0.000 0.926 68 D HN 0.505 nan 8.370 nan 0.000 0.450 69 V N -1.283 118.654 119.914 0.038 0.000 2.970 69 V HA 0.058 4.179 4.120 0.001 0.000 0.260 69 V C 1.082 177.132 176.094 -0.073 0.000 1.100 69 V CA 0.451 62.748 62.300 -0.005 0.000 1.122 69 V CB -0.845 30.982 31.823 0.006 0.000 0.721 69 V HN 0.101 nan 8.190 nan 0.000 0.483 70 L N 1.500 122.653 121.223 -0.117 0.000 2.302 70 L HA 0.488 4.829 4.340 0.001 0.000 0.285 70 L C 1.361 178.126 176.870 -0.174 0.000 1.090 70 L CA -0.001 54.609 54.840 -0.384 0.000 0.866 70 L CB 0.473 42.088 42.059 -0.741 0.000 1.244 70 L HN 0.210 nan 8.230 nan 0.000 0.435 71 R N 0.229 120.675 120.500 -0.089 0.000 2.350 71 R HA 0.126 4.466 4.340 0.001 0.000 0.199 71 R C 0.687 177.085 176.300 0.163 0.000 0.876 71 R CA 0.293 56.449 56.100 0.093 0.000 1.062 71 R CB 0.711 31.043 30.300 0.053 0.000 1.263 71 R HN 0.633 nan 8.270 nan 0.000 0.641 72 T N -1.619 112.997 114.554 0.103 0.000 2.944 72 T HA 0.168 4.518 4.350 0.001 0.000 0.284 72 T C 1.002 175.836 174.700 0.224 0.000 1.010 72 T CA -0.736 61.444 62.100 0.133 0.000 1.025 72 T CB 2.629 71.537 68.868 0.068 0.000 1.079 72 T HN 0.171 nan 8.240 nan 0.000 0.516 73 E N 0.304 120.611 120.200 0.179 0.000 2.114 73 E HA -0.338 4.013 4.350 0.001 0.000 0.199 73 E C 1.965 178.676 176.600 0.186 0.000 1.008 73 E CA 1.748 58.255 56.400 0.179 0.000 0.810 73 E CB -0.144 29.601 29.700 0.076 0.000 0.739 73 E HN 0.739 nan 8.360 nan 0.000 0.456 74 Q N 0.831 120.699 119.800 0.114 0.000 2.084 74 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 74 Q C 1.547 177.630 176.000 0.138 0.000 0.978 74 Q CA 2.218 58.089 55.803 0.114 0.000 0.844 74 Q CB -0.163 28.604 28.738 0.049 0.000 0.898 74 Q HN 0.369 nan 8.270 nan 0.000 0.426 75 D N -0.493 119.935 120.400 0.046 0.000 2.126 75 D HA -0.207 4.434 4.640 0.001 0.000 0.190 75 D C 1.584 177.784 176.300 -0.167 0.000 1.001 75 D CA 1.439 55.378 54.000 -0.102 0.000 0.841 75 D CB -0.477 40.167 40.800 -0.260 0.000 0.949 75 D HN 0.318 nan 8.370 nan 0.000 0.446 76 F N -0.423 119.535 119.950 0.014 0.000 2.186 76 F HA -0.128 4.400 4.527 0.001 0.000 0.299 76 F C 2.336 178.152 175.800 0.027 0.000 1.090 76 F CA 0.580 58.567 58.000 -0.021 0.000 1.307 76 F CB -0.714 38.228 39.000 -0.096 0.000 1.019 76 F HN -0.002 nan 8.300 nan 0.000 0.489 77 Y N 1.349 121.723 120.300 0.124 0.000 2.114 77 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 77 Y C 2.210 178.191 175.900 0.135 0.000 1.143 77 Y CA 1.926 60.076 58.100 0.084 0.000 1.135 77 Y CB -0.602 37.867 38.460 0.015 0.000 0.980 77 Y HN -0.058 nan 8.280 nan 0.000 0.499 78 D N 0.205 120.715 120.400 0.184 0.000 2.123 78 D HA -0.197 4.443 4.640 0.001 0.000 0.196 78 D C 2.185 178.523 176.300 0.064 0.000 0.992 78 D CA 1.496 55.588 54.000 0.153 0.000 0.833 78 D CB -0.647 40.252 40.800 0.165 0.000 0.954 78 D HN 0.417 nan 8.370 nan 0.000 0.455 79 L N 0.812 122.055 121.223 0.034 0.000 1.970 79 L HA -0.180 4.160 4.340 0.001 0.000 0.212 79 L C 2.215 179.133 176.870 0.081 0.000 1.071 79 L CA 1.943 56.810 54.840 0.046 0.000 0.751 79 L CB -1.011 41.051 42.059 0.006 0.000 0.889 79 L HN -0.034 nan 8.230 nan 0.000 0.432 80 T N -0.921 113.669 114.554 0.059 0.000 2.746 80 T HA -0.263 4.087 4.350 0.001 0.000 0.267 80 T C 1.529 176.286 174.700 0.094 0.000 1.039 80 T CA 1.676 63.833 62.100 0.095 0.000 1.142 80 T CB -0.714 68.175 68.868 0.035 0.000 0.866 80 T HN 0.604 nan 8.240 nan 0.000 0.444 81 W N 1.861 122.964 121.300 -0.328 0.000 2.358 81 W HA -0.155 4.505 4.660 0.001 0.000 0.303 81 W C 2.572 178.997 176.519 -0.156 0.000 1.208 81 W CA 0.962 58.090 57.345 -0.362 0.000 1.274 81 W CB -0.279 28.753 29.460 -0.713 0.000 1.138 81 W HN 0.309 nan 8.180 nan 0.000 0.515 82 A N 0.034 122.792 122.820 -0.104 0.000 1.883 82 A HA -0.327 3.993 4.320 0.001 0.000 0.217 82 A C 1.754 179.259 177.584 -0.133 0.000 1.186 82 A CA 1.872 53.813 52.037 -0.160 0.000 0.624 82 A CB -1.789 17.201 19.000 -0.017 0.000 0.822 82 A HN 0.572 nan 8.150 nan 0.000 0.444 83 Y N 0.711 120.958 120.300 -0.088 0.000 2.207 83 Y HA -0.171 4.380 4.550 0.001 0.000 0.287 83 Y C 1.834 177.674 175.900 -0.100 0.000 1.156 83 Y CA 1.805 59.896 58.100 -0.015 0.000 1.182 83 Y CB -0.414 38.088 38.460 0.071 0.000 0.979 83 Y HN 0.220 nan 8.280 nan 0.000 0.521 84 L N -0.138 120.828 121.223 -0.428 0.000 2.141 84 L HA -0.217 4.123 4.340 0.001 0.000 0.209 84 L C 2.491 179.018 176.870 -0.572 0.000 1.094 84 L CA 1.434 55.948 54.840 -0.542 0.000 0.763 84 L CB -0.626 41.265 42.059 -0.279 0.000 0.908 84 L HN 0.245 nan 8.230 nan 0.000 0.437 85 Q N -0.218 119.190 119.800 -0.653 0.000 2.167 85 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 85 Q C 2.122 177.871 176.000 -0.418 0.000 0.970 85 Q CA 0.908 56.360 55.803 -0.585 0.000 0.855 85 Q CB 0.051 28.411 28.738 -0.630 0.000 0.911 85 Q HN 0.282 nan 8.270 nan 0.000 0.438 86 K N 0.163 120.310 120.400 -0.421 0.000 2.147 86 K HA -0.091 4.230 4.320 0.001 0.000 0.205 86 K C 1.996 178.393 176.600 -0.339 0.000 1.049 86 K CA 0.842 56.888 56.287 -0.403 0.000 0.936 86 K CB -0.360 31.842 32.500 -0.497 0.000 0.722 86 K HN 0.292 nan 8.250 nan 0.000 0.446 87 C N 0.654 119.703 119.300 -0.419 0.000 2.466 87 C HA -0.004 4.457 4.460 0.001 0.000 0.278 87 C C 2.652 177.503 174.990 -0.233 0.000 1.288 87 C CA 0.350 59.174 59.018 -0.323 0.000 1.722 87 C CB -0.410 27.073 27.740 -0.428 0.000 2.017 87 C HN 0.426 nan 8.230 nan 0.000 0.488 88 K N 2.240 122.487 120.400 -0.255 0.000 2.074 88 K HA -0.118 4.203 4.320 0.001 0.000 0.209 88 K C 1.948 178.449 176.600 -0.164 0.000 1.048 88 K CA 2.061 58.232 56.287 -0.193 0.000 0.926 88 K CB -0.547 31.828 32.500 -0.208 0.000 0.713 88 K HN 0.397 nan 8.250 nan 0.000 0.444 89 A N 0.021 122.732 122.820 -0.181 0.000 2.066 89 A HA -0.088 4.232 4.320 0.001 0.000 0.218 89 A C 1.426 178.935 177.584 -0.125 0.000 1.157 89 A CA 1.292 53.243 52.037 -0.143 0.000 0.670 89 A CB -0.209 18.700 19.000 -0.151 0.000 0.804 89 A HN 0.513 nan 8.150 nan 0.000 0.453 90 Q N -1.324 118.394 119.800 -0.137 0.000 2.179 90 Q HA 0.158 4.498 4.340 0.001 0.000 0.213 90 Q C -0.561 175.349 176.000 -0.149 0.000 0.833 90 Q CA -0.019 55.706 55.803 -0.132 0.000 0.990 90 Q CB 0.152 28.836 28.738 -0.090 0.000 1.132 90 Q HN 0.766 nan 8.270 nan 0.000 0.493 91 N N -0.664 117.952 118.700 -0.139 0.000 2.741 91 N HA -0.155 4.586 4.740 0.001 0.000 0.251 91 N C -0.783 174.660 175.510 -0.111 0.000 1.112 91 N CA 0.321 53.291 53.050 -0.133 0.000 0.750 91 N CB -1.234 37.157 38.487 -0.161 0.000 1.119 91 N HN 0.019 nan 8.380 nan 0.000 0.561 92 V N 1.464 121.322 119.914 -0.094 0.000 2.425 92 V HA 0.024 4.145 4.120 0.001 0.000 0.276 92 V C 1.680 177.747 176.094 -0.046 0.000 1.017 92 V CA 0.667 62.937 62.300 -0.050 0.000 1.062 92 V CB 0.854 32.653 31.823 -0.040 0.000 0.997 92 V HN 0.298 nan 8.190 nan 0.000 0.476 93 V N 1.364 121.276 119.914 -0.003 0.000 3.565 93 V HA 0.301 4.421 4.120 0.001 0.000 0.260 93 V C 0.741 176.879 176.094 0.073 0.000 1.231 93 V CA 0.504 62.812 62.300 0.013 0.000 1.100 93 V CB -0.237 31.593 31.823 0.012 0.000 0.807 93 V HN 0.844 nan 8.190 nan 0.000 0.454 94 H N 1.007 120.074 119.070 -0.005 0.000 2.679 94 H HA 0.689 5.245 4.556 0.001 0.000 0.360 94 H C -1.503 173.853 175.328 0.047 0.000 1.105 94 H CA 0.067 56.127 56.048 0.019 0.000 1.196 94 H CB 2.469 32.236 29.762 0.009 0.000 1.636 94 H HN 0.256 nan 8.280 nan 0.000 0.531 95 V N 2.101 121.947 119.914 -0.112 0.000 2.588 95 V HA 0.512 4.632 4.120 0.001 0.000 0.304 95 V C -0.315 175.796 176.094 0.029 0.000 1.042 95 V CA -0.779 61.561 62.300 0.066 0.000 0.877 95 V CB 1.986 33.907 31.823 0.162 0.000 0.996 95 V HN 0.827 nan 8.190 nan 0.000 0.425 96 E N 4.795 125.040 120.200 0.075 0.000 3.786 96 E HA 0.329 4.680 4.350 0.001 0.000 0.215 96 E C -2.751 173.755 176.600 -0.157 0.000 1.188 96 E CA -1.525 54.888 56.400 0.021 0.000 1.248 96 E CB 1.589 31.337 29.700 0.080 0.000 1.260 96 E HN 0.713 nan 8.360 nan 0.000 0.426 97 P HA 0.168 nan 4.420 nan 0.000 0.276 97 P C -0.633 176.573 177.300 -0.157 0.000 1.244 97 P CA -0.348 62.603 63.100 -0.248 0.000 0.801 97 P CB 0.806 32.453 31.700 -0.088 0.000 1.006 98 F N 1.292 121.251 119.950 0.015 0.000 2.377 98 F HA 0.504 5.031 4.527 0.001 0.000 0.328 98 F C 0.666 176.626 175.800 0.268 0.000 1.094 98 F CA -0.291 57.755 58.000 0.076 0.000 1.093 98 F CB 0.350 39.291 39.000 -0.098 0.000 1.214 98 F HN 0.236 nan 8.300 nan 0.000 0.518 99 F N -0.815 119.283 119.950 0.246 0.000 2.603 99 F HA 0.654 5.181 4.527 0.001 0.000 0.317 99 F C -1.178 174.701 175.800 0.133 0.000 1.066 99 F CA -1.775 56.353 58.000 0.213 0.000 0.941 99 F CB 1.264 40.356 39.000 0.153 0.000 1.291 99 F HN 0.225 nan 8.300 nan 0.000 0.472 100 D N 3.676 124.055 120.400 -0.034 0.000 2.485 100 D HA 0.300 4.940 4.640 0.001 0.000 0.256 100 D C -2.090 174.008 176.300 -0.337 0.000 1.141 100 D CA -1.602 52.252 54.000 -0.244 0.000 0.942 100 D CB 1.337 42.098 40.800 -0.064 0.000 1.003 100 D HN 0.264 nan 8.370 nan 0.000 0.507 101 P HA -0.174 nan 4.420 nan 0.000 0.216 101 P C 1.349 178.593 177.300 -0.092 0.000 1.150 101 P CA 1.274 64.275 63.100 -0.166 0.000 0.843 101 P CB 0.512 32.133 31.700 -0.131 0.000 0.787 102 Q N -1.362 118.343 119.800 -0.157 0.000 2.167 102 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 102 Q C 2.040 177.937 176.000 -0.172 0.000 0.970 102 Q CA 1.613 57.348 55.803 -0.113 0.000 0.855 102 Q CB -0.910 27.753 28.738 -0.125 0.000 0.911 102 Q HN 0.229 nan 8.270 nan 0.000 0.438 103 T N 0.120 114.483 114.554 -0.318 0.000 2.803 103 T HA -0.158 4.192 4.350 0.001 0.000 0.269 103 T C 1.217 175.737 174.700 -0.299 0.000 1.052 103 T CA 1.356 63.230 62.100 -0.378 0.000 1.136 103 T CB -0.132 68.444 68.868 -0.488 0.000 0.864 103 T HN 0.422 nan 8.240 nan 0.000 0.467 104 H N 0.411 119.524 119.070 0.072 0.000 2.388 104 H HA 0.101 4.657 4.556 0.001 0.000 0.304 104 H C 2.860 178.234 175.328 0.077 0.000 1.049 104 H CA 1.774 57.892 56.048 0.118 0.000 1.371 104 H CB -1.054 28.797 29.762 0.148 0.000 1.436 104 H HN 0.483 nan 8.280 nan 0.000 0.544 105 T N 0.143 114.788 114.554 0.151 0.000 2.708 105 T HA -0.154 4.197 4.350 0.001 0.000 0.266 105 T C 1.505 176.248 174.700 0.072 0.000 1.037 105 T CA 1.583 63.756 62.100 0.121 0.000 1.146 105 T CB -0.413 68.539 68.868 0.141 0.000 0.865 105 T HN 0.042 nan 8.240 nan 0.000 0.435 106 D N 1.444 121.861 120.400 0.028 0.000 2.271 106 D HA -0.042 4.598 4.640 0.001 0.000 0.207 106 D C 2.126 178.437 176.300 0.018 0.000 0.983 106 D CA 0.808 54.810 54.000 0.003 0.000 0.878 106 D CB -0.254 40.521 40.800 -0.042 0.000 0.920 106 D HN 0.504 nan 8.370 nan 0.000 0.479 107 R N -1.205 119.323 120.500 0.046 0.000 2.317 107 R HA 0.267 4.608 4.340 0.001 0.000 0.208 107 R C 1.299 177.641 176.300 0.070 0.000 0.914 107 R CA 0.533 56.668 56.100 0.058 0.000 1.060 107 R CB 0.727 31.079 30.300 0.088 0.000 1.015 107 R HN 0.164 nan 8.270 nan 0.000 0.498 108 G N 0.629 109.473 108.800 0.074 0.000 2.201 108 G HA2 -0.218 3.742 3.960 0.001 0.000 0.212 108 G HA3 -0.218 3.742 3.960 0.001 0.000 0.212 108 G C 0.011 174.964 174.900 0.090 0.000 0.994 108 G CA -0.608 44.535 45.100 0.071 0.000 0.644 108 G HN 0.094 nan 8.290 nan 0.000 0.508 109 I N 3.119 123.760 120.570 0.118 0.000 2.496 109 I HA 0.389 4.559 4.170 0.001 0.000 0.285 109 I C -1.807 174.371 176.117 0.102 0.000 1.080 109 I CA -2.058 59.318 61.300 0.127 0.000 1.404 109 I CB 0.842 38.958 38.000 0.194 0.000 1.403 109 I HN -0.114 nan 8.210 nan 0.000 0.539 110 P HA 0.093 nan 4.420 nan 0.000 0.275 110 P C 0.564 177.907 177.300 0.070 0.000 1.227 110 P CA -0.268 62.891 63.100 0.098 0.000 0.781 110 P CB 0.454 32.208 31.700 0.091 0.000 0.906 111 F N 3.120 123.066 119.950 -0.008 0.000 2.115 111 F HA -0.271 4.257 4.527 0.001 0.000 0.300 111 F C 2.086 177.786 175.800 -0.167 0.000 1.092 111 F CA 2.074 60.036 58.000 -0.062 0.000 1.245 111 F CB -0.008 38.971 39.000 -0.035 0.000 0.995 111 F HN 0.431 nan 8.300 nan 0.000 0.481 112 E N -0.455 119.761 120.200 0.026 0.000 2.208 112 E HA -0.132 4.219 4.350 0.001 0.000 0.193 112 E C 2.051 178.570 176.600 -0.135 0.000 0.988 112 E CA 1.204 57.575 56.400 -0.048 0.000 0.828 112 E CB -0.199 29.664 29.700 0.271 0.000 0.763 112 E HN 0.317 nan 8.360 nan 0.000 0.478 113 V N 0.702 120.549 119.914 -0.111 0.000 2.261 113 V HA -0.257 3.864 4.120 0.001 0.000 0.246 113 V C 2.452 178.364 176.094 -0.303 0.000 1.047 113 V CA 1.577 63.807 62.300 -0.116 0.000 1.015 113 V CB -0.303 31.501 31.823 -0.032 0.000 0.642 113 V HN 0.245 nan 8.190 nan 0.000 0.446 114 V N -0.121 119.439 119.914 -0.590 0.000 2.282 114 V HA -0.279 3.841 4.120 0.001 0.000 0.249 114 V C 2.350 177.990 176.094 -0.757 0.000 1.057 114 V CA 2.426 64.052 62.300 -1.124 0.000 1.032 114 V CB -0.668 30.504 31.823 -1.086 0.000 0.645 114 V HN 0.555 nan 8.190 nan 0.000 0.447 115 L N 0.179 121.007 121.223 -0.660 0.000 2.313 115 L HA 0.174 4.514 4.340 0.001 0.000 0.214 115 L C 2.289 178.981 176.870 -0.297 0.000 1.119 115 L CA 1.800 56.304 54.840 -0.560 0.000 0.809 115 L CB -0.662 41.008 42.059 -0.649 0.000 0.933 115 L HN 0.175 nan 8.230 nan 0.000 0.449 116 A N -0.178 122.522 122.820 -0.200 0.000 1.855 116 A HA 0.011 4.331 4.320 0.001 0.000 0.215 116 A C 2.339 179.895 177.584 -0.047 0.000 1.191 116 A CA 1.350 53.340 52.037 -0.077 0.000 0.613 116 A CB -1.624 17.359 19.000 -0.029 0.000 0.829 116 A HN 0.468 nan 8.150 nan 0.000 0.442 117 G N 0.354 109.138 108.800 -0.026 0.000 2.553 117 G HA2 -0.301 3.659 3.960 0.001 0.000 0.218 117 G HA3 -0.301 3.659 3.960 0.001 0.000 0.218 117 G C 1.537 176.498 174.900 0.101 0.000 1.195 117 G CA 1.436 46.606 45.100 0.116 0.000 0.779 117 G HN 0.484 nan 8.290 nan 0.000 0.577 118 I N 0.020 120.566 120.570 -0.040 0.000 2.113 118 I HA -0.155 4.016 4.170 0.001 0.000 0.238 118 I C 2.834 178.888 176.117 -0.105 0.000 1.070 118 I CA 1.409 62.652 61.300 -0.094 0.000 1.332 118 I CB -0.305 37.538 38.000 -0.262 0.000 1.044 118 I HN 0.058 nan 8.210 nan 0.000 0.402 119 R N 1.586 122.000 120.500 -0.145 0.000 2.103 119 R HA -0.174 4.166 4.340 0.001 0.000 0.242 119 R C 2.157 178.412 176.300 -0.074 0.000 1.142 119 R CA 1.989 58.011 56.100 -0.130 0.000 0.960 119 R CB -0.948 29.287 30.300 -0.110 0.000 0.858 119 R HN 0.428 nan 8.270 nan 0.000 0.439 120 A N -0.119 122.699 122.820 -0.004 0.000 1.877 120 A HA -0.030 4.290 4.320 0.001 0.000 0.216 120 A C 2.344 180.000 177.584 0.119 0.000 1.186 120 A CA 1.878 53.945 52.037 0.051 0.000 0.620 120 A CB -1.049 17.995 19.000 0.073 0.000 0.822 120 A HN 0.449 nan 8.150 nan 0.000 0.443 121 A N -0.504 122.404 122.820 0.148 0.000 2.015 121 A HA 0.037 4.357 4.320 0.001 0.000 0.219 121 A C 2.103 179.691 177.584 0.007 0.000 1.163 121 A CA 1.338 53.373 52.037 -0.003 0.000 0.646 121 A CB -0.520 18.320 19.000 -0.267 0.000 0.806 121 A HN 0.481 nan 8.150 nan 0.000 0.448 122 L N -1.311 119.842 121.223 -0.116 0.000 2.156 122 L HA -0.115 4.225 4.340 0.001 0.000 0.208 122 L C 2.687 179.412 176.870 -0.243 0.000 1.095 122 L CA 1.329 55.970 54.840 -0.332 0.000 0.770 122 L CB -0.393 41.215 42.059 -0.753 0.000 0.914 122 L HN 0.357 nan 8.230 nan 0.000 0.439 123 R N 0.883 121.319 120.500 -0.106 0.000 2.073 123 R HA -0.171 4.170 4.340 0.001 0.000 0.234 123 R C 1.774 178.095 176.300 0.034 0.000 1.134 123 R CA 1.852 57.955 56.100 0.005 0.000 0.952 123 R CB -0.598 29.701 30.300 -0.001 0.000 0.850 123 R HN 0.272 nan 8.270 nan 0.000 0.433 124 D N -0.684 119.722 120.400 0.011 0.000 2.144 124 D HA -0.080 4.561 4.640 0.001 0.000 0.199 124 D C 1.751 178.180 176.300 0.215 0.000 0.984 124 D CA 1.586 55.593 54.000 0.013 0.000 0.834 124 D CB -0.697 39.910 40.800 -0.321 0.000 0.955 124 D HN 0.495 nan 8.370 nan 0.000 0.465 125 G N 0.911 109.874 108.800 0.272 0.000 2.491 125 G HA2 -0.338 3.623 3.960 0.001 0.000 0.218 125 G HA3 -0.338 3.623 3.960 0.001 0.000 0.218 125 G C 1.479 176.467 174.900 0.146 0.000 1.180 125 G CA 1.047 46.285 45.100 0.231 0.000 0.774 125 G HN 0.345 nan 8.290 nan 0.000 0.562 126 E N 0.825 121.113 120.200 0.147 0.000 2.023 126 E HA -0.225 4.125 4.350 0.001 0.000 0.196 126 E C 2.466 179.120 176.600 0.091 0.000 1.003 126 E CA 1.784 58.266 56.400 0.137 0.000 0.809 126 E CB -0.169 29.643 29.700 0.186 0.000 0.755 126 E HN 0.612 nan 8.360 nan 0.000 0.449 127 K N -0.125 120.325 120.400 0.084 0.000 2.167 127 K HA -0.052 4.268 4.320 0.001 0.000 0.203 127 K C 2.108 178.746 176.600 0.063 0.000 1.052 127 K CA 1.087 57.409 56.287 0.058 0.000 0.956 127 K CB -0.082 32.441 32.500 0.039 0.000 0.735 127 K HN 0.193 nan 8.250 nan 0.000 0.451 128 L N 0.584 121.866 121.223 0.098 0.000 2.354 128 L HA 0.125 4.466 4.340 0.001 0.000 0.212 128 L C 1.977 178.913 176.870 0.111 0.000 1.091 128 L CA 0.369 55.280 54.840 0.119 0.000 0.828 128 L CB 0.043 42.217 42.059 0.192 0.000 0.973 128 L HN 0.148 nan 8.230 nan 0.000 0.461 129 L N -1.282 120.006 121.223 0.108 0.000 2.672 129 L HA 0.343 4.684 4.340 0.001 0.000 0.236 129 L C 1.388 178.271 176.870 0.022 0.000 1.092 129 L CA 0.510 55.380 54.840 0.049 0.000 0.887 129 L CB 0.121 42.194 42.059 0.023 0.000 1.168 129 L HN 0.349 nan 8.230 nan 0.000 0.502 130 G N 1.904 110.728 108.800 0.039 0.000 2.168 130 G HA2 -0.289 3.672 3.960 0.001 0.000 0.257 130 G HA3 -0.289 3.672 3.960 0.001 0.000 0.257 130 G C 0.212 175.125 174.900 0.021 0.000 0.997 130 G CA 0.089 45.205 45.100 0.027 0.000 0.708 130 G HN 0.326 nan 8.290 nan 0.000 0.520 131 I N 1.537 122.124 120.570 0.027 0.000 2.325 131 I HA 0.345 4.515 4.170 0.001 0.000 0.291 131 I C 0.999 177.138 176.117 0.037 0.000 1.019 131 I CA -0.873 60.434 61.300 0.012 0.000 1.302 131 I CB 0.630 38.618 38.000 -0.020 0.000 1.401 131 I HN -0.002 nan 8.210 nan 0.000 0.485 132 R N 4.836 125.314 120.500 -0.037 0.000 2.543 132 R HA 0.539 4.880 4.340 0.001 0.000 0.268 132 R C -0.577 175.524 176.300 -0.332 0.000 1.067 132 R CA -0.648 55.356 56.100 -0.159 0.000 1.142 132 R CB 1.043 31.253 30.300 -0.150 0.000 1.110 132 R HN 0.750 nan 8.270 nan 0.000 0.549 133 H N -3.351 115.521 119.070 -0.330 0.000 3.008 133 H HA 0.659 5.215 4.556 0.001 0.000 0.354 133 H C -0.689 174.550 175.328 -0.148 0.000 1.252 133 H CA -1.115 54.771 56.048 -0.270 0.000 1.117 133 H CB 1.850 31.549 29.762 -0.105 0.000 1.857 133 H HN 0.763 nan 8.280 nan 0.000 0.547 134 G N 1.535 110.371 108.800 0.060 0.000 2.770 134 G HA2 0.384 4.344 3.960 0.001 0.000 0.298 134 G HA3 0.384 4.344 3.960 0.001 0.000 0.298 134 G C -1.530 173.477 174.900 0.178 0.000 1.534 134 G CA -0.740 44.430 45.100 0.116 0.000 1.046 134 G HN 0.662 nan 8.290 nan 0.000 0.548 135 L N 2.476 123.838 121.223 0.231 0.000 2.455 135 L HA 0.536 4.876 4.340 0.001 0.000 0.272 135 L C -0.149 176.972 176.870 0.419 0.000 1.174 135 L CA 0.104 55.110 54.840 0.277 0.000 0.869 135 L CB 0.349 42.551 42.059 0.238 0.000 1.130 135 L HN 0.390 nan 8.230 nan 0.000 0.474 136 I N 6.295 127.092 120.570 0.378 0.000 2.362 136 I HA 0.270 4.441 4.170 0.001 0.000 0.289 136 I C -0.520 175.798 176.117 0.335 0.000 0.994 136 I CA -0.593 60.924 61.300 0.361 0.000 1.158 136 I CB 1.655 39.853 38.000 0.330 0.000 1.315 136 I HN 0.531 nan 8.210 nan 0.000 0.451 137 L N 6.098 127.325 121.223 0.006 0.000 2.278 137 L HA 0.365 4.706 4.340 0.001 0.000 0.287 137 L C 0.101 176.568 176.870 -0.672 0.000 1.072 137 L CA 0.217 54.760 54.840 -0.496 0.000 0.819 137 L CB 1.067 42.563 42.059 -0.938 0.000 1.176 137 L HN 0.575 nan 8.230 nan 0.000 0.435 138 S N 4.190 119.498 115.700 -0.652 0.000 2.462 138 S HA 0.570 5.040 4.470 0.001 0.000 0.294 138 S C -0.558 173.625 174.600 -0.696 0.000 1.144 138 S CA -0.567 57.278 58.200 -0.592 0.000 1.088 138 S CB 0.445 63.417 63.200 -0.379 0.000 1.009 138 S HN 0.402 nan 8.310 nan 0.000 0.484 139 F N 3.491 123.236 119.950 -0.342 0.000 2.384 139 F HA 0.425 4.952 4.527 0.001 0.000 0.338 139 F C 0.409 175.971 175.800 -0.397 0.000 1.103 139 F CA -0.934 56.842 58.000 -0.374 0.000 1.157 139 F CB 0.630 39.378 39.000 -0.419 0.000 1.167 139 F HN 0.325 nan 8.300 nan 0.000 0.529 140 L N 4.623 125.739 121.223 -0.178 0.000 2.325 140 L HA 0.313 4.654 4.340 0.001 0.000 0.284 140 L C 1.641 178.288 176.870 -0.371 0.000 1.089 140 L CA -0.345 54.340 54.840 -0.259 0.000 0.836 140 L CB 0.781 42.641 42.059 -0.330 0.000 1.184 140 L HN 0.731 nan 8.230 nan 0.000 0.444 141 R N 3.347 123.657 120.500 -0.317 0.000 2.189 141 R HA -0.124 4.216 4.340 0.001 0.000 0.218 141 R C 1.627 177.813 176.300 -0.191 0.000 1.074 141 R CA 1.085 57.037 56.100 -0.246 0.000 0.991 141 R CB -0.328 29.910 30.300 -0.103 0.000 0.883 141 R HN 0.783 nan 8.270 nan 0.000 0.457 142 H N 0.439 119.261 119.070 -0.412 0.000 2.547 142 H HA 0.173 4.730 4.556 0.001 0.000 0.272 142 H C 0.595 175.741 175.328 -0.304 0.000 0.989 142 H CA 0.033 55.631 56.048 -0.750 0.000 1.214 142 H CB -0.128 29.402 29.762 -0.387 0.000 1.389 142 H HN 0.157 nan 8.280 nan 0.000 0.577 143 L N 1.578 122.492 121.223 -0.516 0.000 2.472 143 L HA 0.200 4.541 4.340 0.001 0.000 0.256 143 L C 0.920 177.771 176.870 -0.032 0.000 1.111 143 L CA -0.818 53.866 54.840 -0.260 0.000 0.800 143 L CB 1.063 42.928 42.059 -0.324 0.000 1.286 143 L HN 0.176 nan 8.230 nan 0.000 0.479 144 S N -1.443 114.233 115.700 -0.040 0.000 2.603 144 S HA 0.040 4.511 4.470 0.001 0.000 0.268 144 S C 0.746 175.339 174.600 -0.012 0.000 1.317 144 S CA -0.394 57.771 58.200 -0.059 0.000 1.012 144 S CB 1.234 64.390 63.200 -0.073 0.000 0.926 144 S HN 0.744 nan 8.310 nan 0.000 0.539 145 E N 0.589 120.678 120.200 -0.186 0.000 2.153 145 E HA -0.234 4.117 4.350 0.001 0.000 0.194 145 E C 1.834 178.380 176.600 -0.090 0.000 0.988 145 E CA 1.369 57.678 56.400 -0.150 0.000 0.811 145 E CB -0.211 29.292 29.700 -0.327 0.000 0.746 145 E HN 0.889 nan 8.360 nan 0.000 0.466 146 E N 0.251 120.393 120.200 -0.095 0.000 2.085 146 E HA -0.274 4.077 4.350 0.001 0.000 0.194 146 E C 2.169 178.728 176.600 -0.068 0.000 0.994 146 E CA 1.536 57.889 56.400 -0.078 0.000 0.801 146 E CB 0.031 29.691 29.700 -0.067 0.000 0.743 146 E HN 0.364 nan 8.360 nan 0.000 0.453 147 Q N -0.099 119.667 119.800 -0.056 0.000 2.050 147 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 147 Q C 2.266 178.232 176.000 -0.058 0.000 0.980 147 Q CA 1.453 57.225 55.803 -0.051 0.000 0.840 147 Q CB -0.224 28.481 28.738 -0.056 0.000 0.898 147 Q HN 0.384 nan 8.270 nan 0.000 0.424 148 A N 1.007 123.782 122.820 -0.075 0.000 1.892 148 A HA -0.265 4.056 4.320 0.001 0.000 0.218 148 A C 2.065 179.475 177.584 -0.289 0.000 1.188 148 A CA 1.466 53.362 52.037 -0.234 0.000 0.631 148 A CB -0.541 18.178 19.000 -0.468 0.000 0.822 148 A HN 0.301 nan 8.150 nan 0.000 0.447 149 Q N -0.215 119.455 119.800 -0.216 0.000 2.096 149 Q HA -0.200 4.140 4.340 0.001 0.000 0.204 149 Q C 2.019 177.965 176.000 -0.090 0.000 0.982 149 Q CA 1.863 57.573 55.803 -0.156 0.000 0.850 149 Q CB -0.328 28.345 28.738 -0.109 0.000 0.901 149 Q HN 0.735 nan 8.270 nan 0.000 0.422 150 K N -0.307 120.052 120.400 -0.069 0.000 2.147 150 K HA -0.069 4.251 4.320 0.001 0.000 0.205 150 K C 2.188 178.754 176.600 -0.057 0.000 1.049 150 K CA 1.387 57.644 56.287 -0.051 0.000 0.936 150 K CB -0.016 32.460 32.500 -0.039 0.000 0.722 150 K HN 0.141 nan 8.250 nan 0.000 0.446 151 T N 1.776 116.309 114.554 -0.035 0.000 2.737 151 T HA -0.111 4.240 4.350 0.001 0.000 0.265 151 T C 1.648 176.321 174.700 -0.046 0.000 1.038 151 T CA 0.823 62.909 62.100 -0.024 0.000 1.144 151 T CB -0.188 68.743 68.868 0.107 0.000 0.866 151 T HN 0.070 nan 8.240 nan 0.000 0.434 152 L N 1.736 122.986 121.223 0.045 0.000 2.129 152 L HA -0.128 4.213 4.340 0.001 0.000 0.212 152 L C 1.691 178.551 176.870 -0.017 0.000 1.087 152 L CA 1.811 56.651 54.840 0.000 0.000 0.757 152 L CB -0.738 41.299 42.059 -0.037 0.000 0.896 152 L HN 0.109 nan 8.230 nan 0.000 0.434 153 D N -0.939 119.437 120.400 -0.039 0.000 2.123 153 D HA -0.169 4.472 4.640 0.001 0.000 0.200 153 D C 2.157 178.430 176.300 -0.046 0.000 0.976 153 D CA 1.160 55.148 54.000 -0.020 0.000 0.831 153 D CB -0.115 40.670 40.800 -0.025 0.000 0.974 153 D HN 0.516 nan 8.370 nan 0.000 0.469 154 Q N 0.111 119.813 119.800 -0.163 0.000 2.297 154 Q HA -0.038 4.302 4.340 0.001 0.000 0.208 154 Q C 1.757 177.590 176.000 -0.280 0.000 0.981 154 Q CA 1.264 56.890 55.803 -0.296 0.000 0.876 154 Q CB 0.025 28.391 28.738 -0.620 0.000 0.921 154 Q HN 0.190 nan 8.270 nan 0.000 0.446 155 A N 0.054 122.767 122.820 -0.178 0.000 2.169 155 A HA 0.089 4.410 4.320 0.001 0.000 0.210 155 A C 1.859 179.739 177.584 0.494 0.000 1.168 155 A CA -0.079 52.102 52.037 0.239 0.000 0.813 155 A CB -0.087 19.013 19.000 0.166 0.000 0.861 155 A HN 0.213 nan 8.150 nan 0.000 0.481 156 L N 0.091 121.492 121.223 0.296 0.000 1.990 156 L HA -0.157 4.183 4.340 0.001 0.000 0.213 156 L C -0.464 176.519 176.870 0.188 0.000 1.072 156 L CA 1.874 56.874 54.840 0.266 0.000 0.755 156 L CB -1.667 40.487 42.059 0.158 0.000 0.889 156 L HN 0.243 nan 8.230 nan 0.000 0.432 157 P HA -0.166 nan 4.420 nan 0.000 0.219 157 P C 1.182 178.406 177.300 -0.126 0.000 1.146 157 P CA 1.520 64.576 63.100 -0.073 0.000 0.808 157 P CB -0.054 31.515 31.700 -0.217 0.000 0.779 158 F N -0.380 119.694 119.950 0.206 0.000 2.765 158 F HA 0.186 4.714 4.527 0.001 0.000 0.302 158 F C 2.270 178.172 175.800 0.171 0.000 1.111 158 F CA -0.324 57.807 58.000 0.218 0.000 1.359 158 F CB -0.516 38.763 39.000 0.465 0.000 1.097 158 F HN -0.158 nan 8.300 nan 0.000 0.577 159 R N 0.662 121.376 120.500 0.358 0.000 2.119 159 R HA -0.226 4.115 4.340 0.001 0.000 0.246 159 R C 0.937 177.221 176.300 -0.027 0.000 1.146 159 R CA 2.325 58.557 56.100 0.220 0.000 0.962 159 R CB -1.019 29.206 30.300 -0.126 0.000 0.863 159 R HN 0.170 nan 8.270 nan 0.000 0.442 160 D N 0.952 121.307 120.400 -0.074 0.000 2.351 160 D HA -0.076 4.564 4.640 0.001 0.000 0.216 160 D C 1.492 177.700 176.300 -0.154 0.000 0.968 160 D CA 1.327 55.264 54.000 -0.106 0.000 0.899 160 D CB 0.067 40.822 40.800 -0.076 0.000 0.907 160 D HN 0.560 nan 8.370 nan 0.000 0.514 161 A N -0.176 122.441 122.820 -0.338 0.000 2.238 161 A HA 0.107 4.427 4.320 0.001 0.000 0.208 161 A C 0.150 177.371 177.584 -0.606 0.000 1.177 161 A CA 0.123 51.829 52.037 -0.552 0.000 0.804 161 A CB -0.079 18.453 19.000 -0.780 0.000 0.823 161 A HN -0.002 nan 8.150 nan 0.000 0.482 162 F N -0.918 119.149 119.950 0.196 0.000 2.540 162 F HA 0.417 4.944 4.527 0.001 0.000 0.317 162 F C 1.076 176.987 175.800 0.186 0.000 1.104 162 F CA -1.391 56.767 58.000 0.264 0.000 0.913 162 F CB 1.254 40.553 39.000 0.498 0.000 1.170 162 F HN 0.106 nan 8.300 nan 0.000 0.450 163 I N -0.154 120.631 120.570 0.357 0.000 2.716 163 I HA 0.544 4.714 4.170 0.001 0.000 0.259 163 I C 0.658 176.957 176.117 0.304 0.000 1.172 163 I CA 0.529 61.974 61.300 0.242 0.000 1.478 163 I CB 0.007 38.115 38.000 0.180 0.000 1.104 163 I HN 0.452 nan 8.210 nan 0.000 0.439 164 A N 0.826 123.883 122.820 0.395 0.000 2.581 164 A HA 0.701 5.022 4.320 0.001 0.000 0.290 164 A C -0.820 176.875 177.584 0.184 0.000 1.119 164 A CA -0.087 52.144 52.037 0.322 0.000 0.670 164 A CB 1.342 20.478 19.000 0.227 0.000 1.280 164 A HN 0.299 nan 8.150 nan 0.000 0.425 165 V N -1.755 118.130 119.914 -0.048 0.000 2.919 165 V HA 1.038 5.159 4.120 0.001 0.000 0.316 165 V C 0.205 176.215 176.094 -0.139 0.000 1.077 165 V CA 0.212 62.296 62.300 -0.360 0.000 0.977 165 V CB 1.341 32.737 31.823 -0.712 0.000 1.039 165 V HN 2.013 nan 8.190 nan 0.000 0.441 166 G N 1.176 109.876 108.800 -0.167 0.000 2.949 166 G HA2 0.714 4.674 3.960 0.001 0.000 0.285 166 G HA3 0.714 4.674 3.960 0.001 0.000 0.285 166 G C -1.858 173.067 174.900 0.041 0.000 1.395 166 G CA -0.952 44.174 45.100 0.044 0.000 0.901 166 G HN 0.871 nan 8.290 nan 0.000 0.519 167 L N 1.228 122.450 121.223 -0.002 0.000 2.436 167 L HA 0.514 4.854 4.340 0.001 0.000 0.268 167 L C -1.403 175.300 176.870 -0.279 0.000 0.974 167 L CA -0.714 54.064 54.840 -0.103 0.000 0.826 167 L CB 2.123 44.132 42.059 -0.082 0.000 1.291 167 L HN 0.934 nan 8.230 nan 0.000 0.406 168 D N 1.793 121.977 120.400 -0.360 0.000 2.921 168 D HA 0.640 5.281 4.640 0.001 0.000 0.329 168 D C -0.307 175.860 176.300 -0.223 0.000 1.293 168 D CA -0.275 53.413 54.000 -0.521 0.000 0.964 168 D CB 1.661 42.009 40.800 -0.753 0.000 1.435 168 D HN 0.471 nan 8.370 nan 0.000 0.548 169 S N -1.761 113.845 115.700 -0.157 0.000 3.872 169 S HA -0.093 4.378 4.470 0.001 0.000 0.637 169 S C -0.778 173.861 174.600 0.065 0.000 1.919 169 S CA 0.171 58.403 58.200 0.054 0.000 2.119 169 S CB -1.692 61.687 63.200 0.298 0.000 0.330 169 S HN 0.925 nan 8.310 nan 0.000 1.761 170 S N 1.675 117.453 115.700 0.130 0.000 2.555 170 S HA 0.106 4.576 4.470 0.001 0.000 0.293 170 S C 1.197 175.967 174.600 0.283 0.000 1.248 170 S CA 0.656 58.959 58.200 0.171 0.000 1.096 170 S CB 0.890 64.213 63.200 0.204 0.000 0.881 170 S HN 0.558 nan 8.310 nan 0.000 0.498 171 E N 3.256 123.583 120.200 0.212 0.000 2.030 171 E HA -0.033 4.318 4.350 0.001 0.000 0.189 171 E C 0.055 176.853 176.600 0.330 0.000 0.974 171 E CA 0.442 57.000 56.400 0.263 0.000 0.807 171 E CB 0.238 30.061 29.700 0.204 0.000 0.771 171 E HN 0.530 nan 8.360 nan 0.000 0.451 172 V N 0.687 120.716 119.914 0.192 0.000 2.740 172 V HA 0.205 4.325 4.120 0.001 0.000 0.303 172 V C 1.314 177.448 176.094 0.067 0.000 1.054 172 V CA 0.908 63.286 62.300 0.129 0.000 1.106 172 V CB 0.631 32.456 31.823 0.003 0.000 0.957 172 V HN 0.702 nan 8.190 nan 0.000 0.486 173 G N 2.775 111.606 108.800 0.052 0.000 2.320 173 G HA2 -0.217 3.743 3.960 0.001 0.000 0.242 173 G HA3 -0.217 3.743 3.960 0.001 0.000 0.242 173 G C 0.200 174.884 174.900 -0.360 0.000 1.033 173 G CA 0.261 45.247 45.100 -0.190 0.000 0.620 173 G HN 0.868 nan 8.290 nan 0.000 0.517 174 H N 1.748 120.911 119.070 0.155 0.000 2.539 174 H HA 0.352 4.909 4.556 0.001 0.000 0.247 174 H C -2.531 172.772 175.328 -0.042 0.000 1.363 174 H CA -1.135 54.966 56.048 0.089 0.000 1.371 174 H CB 1.404 31.273 29.762 0.178 0.000 1.438 174 H HN 0.358 nan 8.280 nan 0.000 0.523 175 P HA 0.096 nan 4.420 nan 0.000 0.274 175 P C -2.111 174.987 177.300 -0.337 0.000 1.237 175 P CA -1.560 61.065 63.100 -0.791 0.000 0.793 175 P CB 1.394 32.690 31.700 -0.673 0.000 0.977 176 P HA -0.173 nan 4.420 nan 0.000 0.218 176 P C 1.653 178.879 177.300 -0.123 0.000 1.146 176 P CA 1.805 64.808 63.100 -0.162 0.000 0.813 176 P CB -0.395 31.197 31.700 -0.180 0.000 0.778 177 S N -0.723 114.886 115.700 -0.152 0.000 2.481 177 S HA -0.112 4.359 4.470 0.001 0.000 0.231 177 S C 1.880 176.386 174.600 -0.155 0.000 0.996 177 S CA 0.658 58.786 58.200 -0.119 0.000 0.942 177 S CB -0.850 62.290 63.200 -0.101 0.000 0.768 177 S HN 0.149 nan 8.310 nan 0.000 0.520 178 K N 0.358 120.628 120.400 -0.215 0.000 2.280 178 K HA 0.008 4.329 4.320 0.001 0.000 0.202 178 K C -0.072 176.106 176.600 -0.704 0.000 1.047 178 K CA 0.955 56.974 56.287 -0.447 0.000 0.942 178 K CB -0.123 32.070 32.500 -0.512 0.000 0.739 178 K HN 0.537 nan 8.250 nan 0.000 0.457 179 F N -0.146 119.726 119.950 -0.129 0.000 2.764 179 F HA 0.195 4.723 4.527 0.001 0.000 0.310 179 F C 1.685 177.462 175.800 -0.038 0.000 1.124 179 F CA -0.576 57.366 58.000 -0.096 0.000 1.252 179 F CB 0.397 39.347 39.000 -0.084 0.000 1.010 179 F HN 0.010 nan 8.300 nan 0.000 0.518 180 Q N 0.833 120.648 119.800 0.024 0.000 2.061 180 Q HA -0.215 4.126 4.340 0.001 0.000 0.204 180 Q C 1.914 177.975 176.000 0.102 0.000 0.984 180 Q CA 2.121 57.953 55.803 0.048 0.000 0.846 180 Q CB 0.207 28.942 28.738 -0.004 0.000 0.902 180 Q HN 0.288 nan 8.270 nan 0.000 0.421 181 R N -0.274 120.252 120.500 0.044 0.000 2.075 181 R HA -0.065 4.276 4.340 0.001 0.000 0.232 181 R C 2.276 178.604 176.300 0.048 0.000 1.126 181 R CA 1.142 57.261 56.100 0.033 0.000 0.963 181 R CB -1.003 29.290 30.300 -0.011 0.000 0.858 181 R HN 0.168 nan 8.270 nan 0.000 0.435 182 V N 0.057 119.997 119.914 0.042 0.000 2.343 182 V HA -0.219 3.901 4.120 0.001 0.000 0.247 182 V C 1.594 177.701 176.094 0.022 0.000 1.051 182 V CA 1.704 63.984 62.300 -0.034 0.000 1.036 182 V CB -0.333 31.366 31.823 -0.208 0.000 0.654 182 V HN 0.195 nan 8.190 nan 0.000 0.451 183 F N 0.615 120.553 119.950 -0.020 0.000 2.234 183 F HA -0.083 4.444 4.527 0.001 0.000 0.299 183 F C 2.205 178.041 175.800 0.061 0.000 1.087 183 F CA 1.877 59.904 58.000 0.045 0.000 1.340 183 F CB -0.536 38.507 39.000 0.071 0.000 1.031 183 F HN 0.269 nan 8.300 nan 0.000 0.500 184 D N -0.464 120.060 120.400 0.206 0.000 2.097 184 D HA -0.161 4.479 4.640 0.001 0.000 0.195 184 D C 2.346 178.706 176.300 0.099 0.000 0.989 184 D CA 1.040 55.120 54.000 0.134 0.000 0.827 184 D CB -0.332 40.526 40.800 0.097 0.000 0.966 184 D HN 0.118 nan 8.370 nan 0.000 0.456 185 R N 0.478 121.020 120.500 0.070 0.000 2.073 185 R HA -0.090 4.251 4.340 0.001 0.000 0.234 185 R C 2.078 178.433 176.300 0.092 0.000 1.134 185 R CA 1.576 57.712 56.100 0.060 0.000 0.952 185 R CB -0.200 30.115 30.300 0.025 0.000 0.850 185 R HN 0.114 nan 8.270 nan 0.000 0.433 186 A N 0.773 123.625 122.820 0.053 0.000 1.933 186 A HA -0.136 4.184 4.320 0.001 0.000 0.218 186 A C 2.142 179.884 177.584 0.262 0.000 1.175 186 A CA 1.348 53.447 52.037 0.103 0.000 0.628 186 A CB -0.415 18.447 19.000 -0.231 0.000 0.814 186 A HN 0.345 nan 8.150 nan 0.000 0.444 187 R N -0.835 119.767 120.500 0.170 0.000 2.092 187 R HA -0.077 4.263 4.340 0.001 0.000 0.231 187 R C 2.583 178.973 176.300 0.150 0.000 1.119 187 R CA 1.271 57.477 56.100 0.177 0.000 0.970 187 R CB -0.373 30.021 30.300 0.156 0.000 0.864 187 R HN 0.536 nan 8.270 nan 0.000 0.440 188 S N 0.725 116.504 115.700 0.131 0.000 2.359 188 S HA -0.137 4.333 4.470 0.001 0.000 0.224 188 S C 1.583 176.248 174.600 0.109 0.000 1.035 188 S CA 1.233 59.495 58.200 0.103 0.000 1.018 188 S CB -0.011 63.241 63.200 0.087 0.000 0.876 188 S HN 0.218 nan 8.310 nan 0.000 0.448 189 E N -0.075 120.222 120.200 0.161 0.000 2.478 189 E HA 0.107 4.457 4.350 0.001 0.000 0.198 189 E C 1.403 178.047 176.600 0.074 0.000 1.046 189 E CA 0.709 57.206 56.400 0.163 0.000 0.870 189 E CB -0.111 29.758 29.700 0.281 0.000 0.818 189 E HN 0.673 nan 8.360 nan 0.000 0.527 190 G N 0.296 109.145 108.800 0.082 0.000 2.192 190 G HA2 -0.217 3.744 3.960 0.001 0.000 0.193 190 G HA3 -0.217 3.744 3.960 0.001 0.000 0.193 190 G C 0.040 174.911 174.900 -0.049 0.000 0.999 190 G CA -0.405 44.680 45.100 -0.025 0.000 0.659 190 G HN 0.154 nan 8.290 nan 0.000 0.503 191 F N 1.204 121.201 119.950 0.078 0.000 2.389 191 F HA 0.661 5.188 4.527 0.001 0.000 0.337 191 F C 1.354 177.197 175.800 0.072 0.000 1.112 191 F CA -0.591 57.458 58.000 0.081 0.000 1.192 191 F CB 0.717 39.747 39.000 0.050 0.000 1.185 191 F HN -0.022 nan 8.300 nan 0.000 0.552 192 L N 1.237 122.621 121.223 0.268 0.000 2.479 192 L HA 0.507 4.847 4.340 0.001 0.000 0.249 192 L C 0.397 177.391 176.870 0.207 0.000 1.178 192 L CA -0.493 54.469 54.840 0.204 0.000 0.811 192 L CB 1.068 43.227 42.059 0.166 0.000 1.187 192 L HN 0.735 nan 8.230 nan 0.000 0.480 193 T N -1.273 113.405 114.554 0.206 0.000 2.906 193 T HA 0.743 5.093 4.350 0.001 0.000 0.295 193 T C -0.679 174.181 174.700 0.267 0.000 1.061 193 T CA -0.697 61.555 62.100 0.254 0.000 1.000 193 T CB 1.892 71.014 68.868 0.424 0.000 1.103 193 T HN 0.568 nan 8.240 nan 0.000 0.486 194 V N -2.103 117.999 119.914 0.313 0.000 3.188 194 V HA 1.058 5.179 4.120 0.001 0.000 0.305 194 V C -0.811 175.434 176.094 0.253 0.000 1.232 194 V CA -0.951 61.497 62.300 0.246 0.000 1.043 194 V CB 1.123 33.085 31.823 0.233 0.000 1.068 194 V HN 1.788 nan 8.190 nan 0.000 0.439 195 A N 0.470 123.381 122.820 0.152 0.000 2.606 195 A HA 0.826 5.146 4.320 0.001 0.000 0.293 195 A C -1.440 176.217 177.584 0.121 0.000 1.082 195 A CA -0.700 51.411 52.037 0.123 0.000 0.685 195 A CB 1.290 20.308 19.000 0.030 0.000 1.284 195 A HN 1.215 nan 8.150 nan 0.000 0.408 196 H N 0.518 119.587 119.070 -0.001 0.000 2.819 196 H HA 0.587 5.143 4.556 0.001 0.000 0.303 196 H C 0.321 175.718 175.328 0.116 0.000 1.058 196 H CA 1.314 57.424 56.048 0.103 0.000 1.471 196 H CB 1.030 30.863 29.762 0.119 0.000 1.480 196 H HN 0.961 nan 8.280 nan 0.000 0.517 197 A N 1.915 124.867 122.820 0.220 0.000 2.459 197 A HA 0.570 4.890 4.320 0.001 0.000 0.296 197 A C 0.752 178.431 177.584 0.158 0.000 1.039 197 A CA -0.195 51.959 52.037 0.196 0.000 0.698 197 A CB 0.804 19.892 19.000 0.146 0.000 1.261 197 A HN 0.986 nan 8.150 nan 0.000 0.405 198 G N 1.224 110.099 108.800 0.126 0.000 2.144 198 G HA2 -0.204 3.757 3.960 0.001 0.000 0.218 198 G HA3 -0.204 3.757 3.960 0.001 0.000 0.218 198 G C 0.568 175.471 174.900 0.005 0.000 0.988 198 G CA 0.805 45.937 45.100 0.054 0.000 0.659 198 G HN 0.920 nan 8.290 nan 0.000 0.522 199 E N -0.173 120.017 120.200 -0.018 0.000 2.022 199 E HA 0.094 4.445 4.350 0.001 0.000 0.193 199 E C 1.826 178.312 176.600 -0.191 0.000 0.969 199 E CA 0.903 57.186 56.400 -0.194 0.000 0.834 199 E CB 0.155 29.649 29.700 -0.343 0.000 0.798 199 E HN 0.518 nan 8.360 nan 0.000 0.467 200 E N -0.438 119.683 120.200 -0.132 0.000 2.481 200 E HA 0.172 4.522 4.350 0.001 0.000 0.198 200 E C -0.050 176.476 176.600 -0.124 0.000 1.027 200 E CA -0.232 56.092 56.400 -0.127 0.000 0.900 200 E CB 1.266 30.909 29.700 -0.095 0.000 0.993 200 E HN 0.161 nan 8.360 nan 0.000 0.482 201 G N 2.422 111.160 108.800 -0.103 0.000 2.448 201 G HA2 0.340 4.300 3.960 0.001 0.000 0.285 201 G HA3 0.340 4.300 3.960 0.001 0.000 0.285 201 G C -2.613 172.121 174.900 -0.277 0.000 1.176 201 G CA -1.196 43.759 45.100 -0.241 0.000 0.852 201 G HN -0.127 nan 8.290 nan 0.000 0.530 202 P HA 0.222 nan 4.420 nan 0.000 0.274 202 P C -2.076 175.174 177.300 -0.083 0.000 1.246 202 P CA -1.587 61.369 63.100 -0.240 0.000 0.795 202 P CB 0.740 32.280 31.700 -0.266 0.000 1.006 203 P HA -0.140 nan 4.420 nan 0.000 0.221 203 P C 1.089 178.554 177.300 0.275 0.000 1.145 203 P CA 1.380 64.549 63.100 0.115 0.000 0.795 203 P CB -0.088 31.702 31.700 0.149 0.000 0.775 204 E N -1.867 118.498 120.200 0.275 0.000 2.204 204 E HA -0.187 4.163 4.350 0.001 0.000 0.195 204 E C 1.540 178.415 176.600 0.458 0.000 0.990 204 E CA 1.053 57.680 56.400 0.379 0.000 0.821 204 E CB -0.733 29.109 29.700 0.237 0.000 0.750 204 E HN 0.330 nan 8.360 nan 0.000 0.477 205 Y N -0.007 120.373 120.300 0.133 0.000 2.314 205 Y HA -0.016 4.535 4.550 0.001 0.000 0.293 205 Y C 1.891 177.840 175.900 0.082 0.000 1.129 205 Y CA 0.232 58.389 58.100 0.095 0.000 1.201 205 Y CB -0.332 38.169 38.460 0.069 0.000 0.999 205 Y HN 0.085 nan 8.280 nan 0.000 0.541 206 I N -2.303 118.400 120.570 0.221 0.000 2.252 206 I HA -0.313 3.857 4.170 0.001 0.000 0.245 206 I C 2.067 178.191 176.117 0.012 0.000 1.102 206 I CA 1.238 62.570 61.300 0.052 0.000 1.385 206 I CB -0.759 37.199 38.000 -0.069 0.000 1.064 206 I HN 0.205 nan 8.210 nan 0.000 0.414 207 W N 1.860 123.211 121.300 0.085 0.000 2.318 207 W HA -0.221 4.439 4.660 0.001 0.000 0.313 207 W C 2.643 179.188 176.519 0.044 0.000 1.221 207 W CA 1.339 58.720 57.345 0.060 0.000 1.266 207 W CB -0.362 29.132 29.460 0.056 0.000 1.150 207 W HN 0.118 nan 8.180 nan 0.000 0.496 208 E N -0.322 120.041 120.200 0.271 0.000 2.051 208 E HA -0.221 4.129 4.350 0.001 0.000 0.192 208 E C 2.306 178.942 176.600 0.061 0.000 0.991 208 E CA 1.291 57.769 56.400 0.130 0.000 0.799 208 E CB -0.517 29.212 29.700 0.048 0.000 0.748 208 E HN 0.261 nan 8.360 nan 0.000 0.449 209 A N 0.912 123.756 122.820 0.041 0.000 1.972 209 A HA -0.146 4.174 4.320 0.001 0.000 0.219 209 A C 2.138 179.735 177.584 0.022 0.000 1.169 209 A CA 1.011 53.042 52.037 -0.009 0.000 0.635 209 A CB -0.462 18.541 19.000 0.005 0.000 0.810 209 A HN 0.125 nan 8.150 nan 0.000 0.446 210 L N -1.044 120.205 121.223 0.044 0.000 2.095 210 L HA -0.093 4.247 4.340 0.001 0.000 0.204 210 L C 1.898 178.822 176.870 0.091 0.000 1.080 210 L CA 1.291 56.162 54.840 0.053 0.000 0.759 210 L CB -0.347 41.721 42.059 0.016 0.000 0.914 210 L HN 0.280 nan 8.230 nan 0.000 0.439 211 D N -0.558 119.915 120.400 0.123 0.000 2.259 211 D HA 0.027 4.667 4.640 0.001 0.000 0.216 211 D C 2.351 178.703 176.300 0.087 0.000 0.961 211 D CA 0.908 54.985 54.000 0.128 0.000 0.878 211 D CB 0.236 41.144 40.800 0.181 0.000 1.009 211 D HN 0.202 nan 8.370 nan 0.000 0.490 212 L N 0.200 121.461 121.223 0.063 0.000 2.168 212 L HA 0.095 4.436 4.340 0.001 0.000 0.203 212 L C 2.357 179.245 176.870 0.031 0.000 1.078 212 L CA 0.498 55.358 54.840 0.035 0.000 0.780 212 L CB -0.180 41.882 42.059 0.004 0.000 0.939 212 L HN -0.066 nan 8.230 nan 0.000 0.451 213 L N -0.322 120.893 121.223 -0.013 0.000 2.341 213 L HA 0.015 4.355 4.340 0.001 0.000 0.214 213 L C 0.459 177.410 176.870 0.134 0.000 1.115 213 L CA 0.275 55.102 54.840 -0.021 0.000 0.820 213 L CB -0.295 41.576 42.059 -0.314 0.000 0.944 213 L HN 0.297 nan 8.230 nan 0.000 0.452 214 K N 0.767 121.228 120.400 0.102 0.000 3.150 214 K HA -0.132 4.189 4.320 0.001 0.000 0.267 214 K C -0.079 176.603 176.600 0.138 0.000 1.028 214 K CA 0.339 56.698 56.287 0.118 0.000 0.753 214 K CB -2.127 30.448 32.500 0.125 0.000 1.288 214 K HN 0.320 nan 8.250 nan 0.000 0.473 215 V N -1.802 118.186 119.914 0.124 0.000 2.881 215 V HA 0.138 4.258 4.120 0.001 0.000 0.303 215 V C 1.599 177.759 176.094 0.110 0.000 1.070 215 V CA -0.322 62.063 62.300 0.142 0.000 1.074 215 V CB 1.381 33.279 31.823 0.125 0.000 1.012 215 V HN 0.169 nan 8.190 nan 0.000 0.482 216 E N 2.442 122.712 120.200 0.117 0.000 2.158 216 E HA 0.035 4.386 4.350 0.001 0.000 0.191 216 E C 0.759 177.402 176.600 0.072 0.000 0.982 216 E CA 1.013 57.467 56.400 0.090 0.000 0.823 216 E CB 0.027 29.784 29.700 0.095 0.000 0.766 216 E HN 0.916 nan 8.360 nan 0.000 0.468 217 R N -0.730 119.818 120.500 0.080 0.000 2.752 217 R HA 0.537 4.878 4.340 0.001 0.000 0.271 217 R C -0.871 175.467 176.300 0.062 0.000 1.026 217 R CA -0.757 55.379 56.100 0.060 0.000 0.901 217 R CB 1.003 31.337 30.300 0.055 0.000 1.243 217 R HN -0.226 nan 8.270 nan 0.000 0.463 218 I N 1.430 122.027 120.570 0.045 0.000 2.474 218 I HA 0.320 4.490 4.170 0.001 0.000 0.294 218 I C -0.880 175.261 176.117 0.039 0.000 1.005 218 I CA -0.676 60.649 61.300 0.042 0.000 1.113 218 I CB 1.941 39.957 38.000 0.027 0.000 1.289 218 I HN 0.646 nan 8.210 nan 0.000 0.436 219 D N 6.634 127.039 120.400 0.009 0.000 2.280 219 D HA 0.340 4.981 4.640 0.001 0.000 0.236 219 D C 0.641 176.977 176.300 0.060 0.000 1.082 219 D CA 0.013 53.964 54.000 -0.082 0.000 0.834 219 D CB 1.239 41.730 40.800 -0.514 0.000 1.100 219 D HN 0.528 nan 8.370 nan 0.000 0.486 220 H N 2.331 121.483 119.070 0.137 0.000 1.595 220 H HA -0.280 4.277 4.556 0.001 0.000 0.090 220 H C 1.327 176.693 175.328 0.063 0.000 0.624 220 H CA 1.523 57.623 56.048 0.086 0.000 1.885 220 H CB -1.255 28.556 29.762 0.081 0.000 2.233 220 H HN 0.696 nan 8.280 nan 0.000 0.958 221 G N -0.117 108.809 108.800 0.210 0.000 2.179 221 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 221 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 221 G C 1.259 176.213 174.900 0.090 0.000 0.977 221 G CA 2.301 47.467 45.100 0.110 0.000 0.641 221 G HN 1.351 nan 8.290 nan 0.000 0.533 222 V N -1.545 118.432 119.914 0.105 0.000 2.546 222 V HA -0.063 4.057 4.120 0.001 0.000 0.254 222 V C 2.192 178.326 176.094 0.067 0.000 1.076 222 V CA 2.459 64.809 62.300 0.083 0.000 1.087 222 V CB -0.580 31.307 31.823 0.107 0.000 0.674 222 V HN 0.516 nan 8.190 nan 0.000 0.470 223 R N 0.589 121.105 120.500 0.027 0.000 2.325 223 R HA 0.389 4.729 4.340 0.001 0.000 0.214 223 R C 2.038 178.376 176.300 0.065 0.000 0.961 223 R CA 0.627 56.741 56.100 0.022 0.000 1.086 223 R CB -0.253 30.024 30.300 -0.039 0.000 1.037 223 R HN 0.652 nan 8.270 nan 0.000 0.493 224 A N 0.221 123.094 122.820 0.087 0.000 2.119 224 A HA -0.084 4.237 4.320 0.001 0.000 0.216 224 A C 1.684 179.354 177.584 0.143 0.000 1.152 224 A CA 0.454 52.533 52.037 0.070 0.000 0.708 224 A CB -0.374 18.648 19.000 0.036 0.000 0.805 224 A HN 0.370 nan 8.150 nan 0.000 0.460 225 F N 0.908 120.862 119.950 0.007 0.000 2.206 225 F HA -0.138 4.389 4.527 0.001 0.000 0.298 225 F C 2.211 178.024 175.800 0.022 0.000 1.090 225 F CA 1.556 59.568 58.000 0.019 0.000 1.323 225 F CB 0.048 39.069 39.000 0.035 0.000 1.028 225 F HN 0.354 nan 8.300 nan 0.000 0.492 226 E N -0.659 119.591 120.200 0.083 0.000 2.130 226 E HA -0.263 4.088 4.350 0.001 0.000 0.196 226 E C 0.364 176.953 176.600 -0.019 0.000 0.998 226 E CA 1.073 57.475 56.400 0.004 0.000 0.806 226 E CB -0.276 29.445 29.700 0.036 0.000 0.738 226 E HN 0.223 nan 8.360 nan 0.000 0.459 227 D N 0.096 120.508 120.400 0.021 0.000 2.427 227 D HA 0.017 4.657 4.640 0.001 0.000 0.226 227 D C 0.553 176.884 176.300 0.052 0.000 1.076 227 D CA -0.165 53.878 54.000 0.072 0.000 0.849 227 D CB 0.995 41.900 40.800 0.176 0.000 1.052 227 D HN -0.169 nan 8.370 nan 0.000 0.515 228 E N 3.209 123.428 120.200 0.031 0.000 2.047 228 E HA -0.172 4.179 4.350 0.001 0.000 0.191 228 E C 1.722 178.366 176.600 0.074 0.000 0.987 228 E CA 0.733 57.141 56.400 0.014 0.000 0.799 228 E CB -0.001 29.695 29.700 -0.006 0.000 0.752 228 E HN 0.573 nan 8.360 nan 0.000 0.449 229 R N 0.646 121.231 120.500 0.142 0.000 2.083 229 R HA -0.129 4.211 4.340 0.001 0.000 0.237 229 R C 1.493 177.959 176.300 0.276 0.000 1.137 229 R CA 0.600 56.828 56.100 0.213 0.000 0.951 229 R CB -0.511 29.937 30.300 0.248 0.000 0.851 229 R HN 0.071 nan 8.270 nan 0.000 0.434 233 R N 1.187 121.700 120.500 0.022 0.000 2.083 233 R HA -0.071 4.269 4.340 0.001 0.000 0.237 233 R C 1.656 177.942 176.300 -0.023 0.000 1.137 233 R CA 1.713 57.819 56.100 0.009 0.000 0.951 233 R CB -0.269 30.023 30.300 -0.015 0.000 0.851 233 R HN -0.014 nan 8.270 nan 0.000 0.434 234 L N 1.187 122.373 121.223 -0.062 0.000 1.997 234 L HA -0.254 4.087 4.340 0.001 0.000 0.216 234 L C 2.297 179.163 176.870 -0.007 0.000 1.074 234 L CA 1.806 56.618 54.840 -0.046 0.000 0.763 234 L CB -0.722 41.307 42.059 -0.050 0.000 0.890 234 L HN 0.305 nan 8.230 nan 0.000 0.434 235 I N -1.025 119.549 120.570 0.006 0.000 2.193 235 I HA -0.249 3.922 4.170 0.001 0.000 0.240 235 I C 2.044 178.172 176.117 0.019 0.000 1.084 235 I CA 1.143 62.454 61.300 0.019 0.000 1.365 235 I CB -0.581 37.435 38.000 0.026 0.000 1.064 235 I HN 0.220 nan 8.210 nan 0.000 0.410 236 D N 1.026 121.438 120.400 0.021 0.000 2.149 236 D HA -0.183 4.457 4.640 0.001 0.000 0.198 236 D C 1.893 178.207 176.300 0.023 0.000 0.990 236 D CA 1.326 55.341 54.000 0.025 0.000 0.839 236 D CB -0.228 40.591 40.800 0.031 0.000 0.948 236 D HN 0.469 nan 8.370 nan 0.000 0.460 237 E N -0.055 120.156 120.200 0.019 0.000 2.474 237 E HA -0.000 4.350 4.350 0.001 0.000 0.194 237 E C 0.004 176.614 176.600 0.017 0.000 1.041 237 E CA -0.090 56.322 56.400 0.020 0.000 0.874 237 E CB 0.327 30.038 29.700 0.018 0.000 0.914 237 E HN 0.053 nan 8.360 nan 0.000 0.498 238 Q N 0.115 119.924 119.800 0.015 0.000 2.435 238 Q HA -0.213 4.127 4.340 0.001 0.000 0.312 238 Q C -0.564 175.444 176.000 0.014 0.000 1.333 238 Q CA 0.854 56.666 55.803 0.015 0.000 0.883 238 Q CB -1.911 26.836 28.738 0.016 0.000 1.170 238 Q HN 0.434 nan 8.270 nan 0.000 0.443 239 I N 2.023 122.598 120.570 0.009 0.000 2.379 239 I HA 0.102 4.273 4.170 0.001 0.000 0.290 239 I C -1.710 174.414 176.117 0.011 0.000 1.063 239 I CA -1.750 59.556 61.300 0.010 0.000 1.351 239 I CB 0.710 38.708 38.000 -0.003 0.000 1.410 239 I HN -0.083 nan 8.210 nan 0.000 0.505 240 P HA 0.138 nan 4.420 nan 0.000 0.271 240 P C -0.951 176.363 177.300 0.022 0.000 1.216 240 P CA -0.282 62.829 63.100 0.019 0.000 0.771 240 P CB 0.534 32.246 31.700 0.020 0.000 0.864 241 L N 3.183 124.419 121.223 0.021 0.000 2.296 241 L HA 0.355 4.696 4.340 0.001 0.000 0.286 241 L C 0.656 177.543 176.870 0.027 0.000 1.023 241 L CA 0.056 54.914 54.840 0.029 0.000 0.812 241 L CB 0.964 43.043 42.059 0.033 0.000 1.223 241 L HN 0.352 nan 8.230 nan 0.000 0.421 242 T N 1.228 115.810 114.554 0.048 0.000 2.863 242 T HA 0.539 4.889 4.350 0.001 0.000 0.299 242 T C 0.025 174.722 174.700 -0.004 0.000 0.973 242 T CA -0.614 61.521 62.100 0.058 0.000 0.994 242 T CB -0.077 68.883 68.868 0.153 0.000 0.961 242 T HN 0.167 nan 8.240 nan 0.000 0.552 243 V N 3.021 122.899 119.914 -0.060 0.000 2.644 243 V HA 0.419 4.540 4.120 0.001 0.000 0.295 243 V C 0.266 176.251 176.094 -0.183 0.000 1.053 243 V CA -0.866 61.389 62.300 -0.075 0.000 0.987 243 V CB 1.406 33.226 31.823 -0.006 0.000 1.006 243 V HN 1.044 nan 8.190 nan 0.000 0.472 244 C N 5.400 124.613 119.300 -0.144 0.000 2.814 244 C HA 0.336 4.796 4.460 0.001 0.000 0.269 244 C C -1.374 173.583 174.990 -0.054 0.000 1.090 244 C CA -0.823 58.091 59.018 -0.173 0.000 1.492 244 C CB 0.544 28.097 27.740 -0.311 0.000 1.825 244 C HN 0.684 nan 8.230 nan 0.000 0.442 245 P HA -0.127 nan 4.420 nan 0.000 0.213 245 P C 1.666 178.914 177.300 -0.087 0.000 1.170 245 P CA 1.464 64.425 63.100 -0.232 0.000 0.898 245 P CB 0.185 31.664 31.700 -0.368 0.000 0.787 246 L N -1.099 120.079 121.223 -0.074 0.000 2.083 246 L HA -0.154 4.187 4.340 0.001 0.000 0.209 246 L C 2.651 179.372 176.870 -0.247 0.000 1.083 246 L CA 1.588 56.394 54.840 -0.055 0.000 0.752 246 L CB -1.110 40.983 42.059 0.056 0.000 0.899 246 L HN 0.094 nan 8.230 nan 0.000 0.433 247 S N 0.563 116.039 115.700 -0.373 0.000 2.351 247 S HA -0.201 4.269 4.470 0.001 0.000 0.220 247 S C 1.877 176.174 174.600 -0.505 0.000 1.035 247 S CA 1.790 59.442 58.200 -0.913 0.000 1.031 247 S CB -0.231 62.706 63.200 -0.439 0.000 0.928 247 S HN 0.435 nan 8.310 nan 0.000 0.433 248 N N 0.766 119.389 118.700 -0.128 0.000 2.091 248 N HA -0.100 4.641 4.740 0.001 0.000 0.193 248 N C 1.849 177.373 175.510 0.023 0.000 1.021 248 N CA 1.878 54.943 53.050 0.025 0.000 0.862 248 N CB -1.364 37.352 38.487 0.382 0.000 1.018 248 N HN 0.452 nan 8.380 nan 0.000 0.429 249 T N 1.205 115.778 114.554 0.032 0.000 2.770 249 T HA -0.018 4.333 4.350 0.001 0.000 0.263 249 T C 1.670 176.342 174.700 -0.047 0.000 1.039 249 T CA 0.893 63.010 62.100 0.029 0.000 1.142 249 T CB 0.077 68.965 68.868 0.033 0.000 0.868 249 T HN 0.084 nan 8.240 nan 0.000 0.435 250 K N 1.096 121.400 120.400 -0.161 0.000 2.283 250 K HA 0.143 4.464 4.320 0.001 0.000 0.202 250 K C 1.735 178.297 176.600 -0.064 0.000 1.048 250 K CA 0.703 56.930 56.287 -0.099 0.000 0.948 250 K CB -0.230 32.169 32.500 -0.168 0.000 0.742 250 K HN 0.391 nan 8.250 nan 0.000 0.458 251 L N -1.153 119.941 121.223 -0.215 0.000 2.693 251 L HA 0.072 4.413 4.340 0.001 0.000 0.235 251 L C 0.263 177.076 176.870 -0.095 0.000 1.127 251 L CA -0.200 54.541 54.840 -0.164 0.000 0.914 251 L CB 0.137 42.008 42.059 -0.313 0.000 1.193 251 L HN 0.057 nan 8.230 nan 0.000 0.502 252 C N -1.201 118.053 119.300 -0.077 0.000 4.601 252 C HA -0.157 4.304 4.460 0.001 0.000 0.269 252 C C 2.101 177.015 174.990 -0.127 0.000 1.241 252 C CA 0.132 59.118 59.018 -0.055 0.000 1.867 252 C CB -2.687 25.039 27.740 -0.023 0.000 1.404 252 C HN 0.363 nan 8.230 nan 0.000 0.721 253 V N -1.361 118.437 119.914 -0.194 0.000 2.515 253 V HA -0.041 4.080 4.120 0.001 0.000 0.250 253 V C 0.846 176.554 176.094 -0.642 0.000 1.058 253 V CA 2.016 64.081 62.300 -0.392 0.000 1.064 253 V CB -0.205 31.376 31.823 -0.404 0.000 0.675 253 V HN 0.553 nan 8.190 nan 0.000 0.461 254 F N -0.946 118.941 119.950 -0.104 0.000 2.561 254 F HA 0.437 4.965 4.527 0.001 0.000 0.321 254 F C 0.980 176.748 175.800 -0.052 0.000 1.065 254 F CA -1.020 56.929 58.000 -0.086 0.000 0.934 254 F CB 1.200 40.143 39.000 -0.095 0.000 1.215 254 F HN -0.186 nan 8.300 nan 0.000 0.471 255 D N 0.260 120.747 120.400 0.145 0.000 2.323 255 D HA -0.013 4.628 4.640 0.001 0.000 0.209 255 D C -0.072 176.274 176.300 0.077 0.000 0.973 255 D CA 1.270 55.316 54.000 0.076 0.000 0.874 255 D CB 0.346 41.177 40.800 0.051 0.000 0.930 255 D HN 0.652 nan 8.370 nan 0.000 0.521 259 Q N 1.312 121.062 119.800 -0.083 0.000 2.408 259 Q HA 0.271 4.612 4.340 0.001 0.000 0.205 259 Q C 0.179 175.927 176.000 -0.421 0.000 0.919 259 Q CA 0.236 55.986 55.803 -0.088 0.000 0.932 259 Q CB -0.338 28.460 28.738 0.100 0.000 1.058 259 Q HN 0.732 nan 8.270 nan 0.000 0.517 260 H N 1.570 120.184 119.070 -0.761 0.000 2.928 260 H HA -0.003 4.554 4.556 0.001 0.000 0.338 260 H C 0.592 175.468 175.328 -0.753 0.000 1.047 260 H CA 1.227 56.506 56.048 -1.282 0.000 1.435 260 H CB 0.874 30.127 29.762 -0.848 0.000 1.428 260 H HN 0.067 nan 8.280 nan 0.000 0.590 261 T N 2.042 116.178 114.554 -0.696 0.000 3.186 261 T HA 0.063 4.414 4.350 0.001 0.000 0.257 261 T C 1.961 176.497 174.700 -0.274 0.000 1.029 261 T CA -0.118 61.697 62.100 -0.475 0.000 0.916 261 T CB -0.394 67.990 68.868 -0.807 0.000 1.041 261 T HN 0.591 nan 8.240 nan 0.000 0.562 262 I N 0.680 121.288 120.570 0.063 0.000 2.226 262 I HA -0.038 4.132 4.170 0.001 0.000 0.245 262 I C 1.898 177.955 176.117 -0.101 0.000 1.100 262 I CA 1.375 62.655 61.300 -0.033 0.000 1.374 262 I CB 0.022 37.913 38.000 -0.182 0.000 1.057 262 I HN 0.290 nan 8.210 nan 0.000 0.413 263 L N -0.037 121.120 121.223 -0.111 0.000 2.131 263 L HA -0.047 4.293 4.340 0.001 0.000 0.206 263 L C 1.041 177.878 176.870 -0.054 0.000 1.087 263 L CA 0.213 55.007 54.840 -0.078 0.000 0.767 263 L CB -1.036 40.979 42.059 -0.073 0.000 0.917 263 L HN 0.219 nan 8.230 nan 0.000 0.441 267 E N 0.924 121.142 120.200 0.030 0.000 2.338 267 E HA -0.012 4.338 4.350 0.001 0.000 0.197 267 E C 1.481 178.111 176.600 0.051 0.000 1.007 267 E CA 0.821 57.244 56.400 0.038 0.000 0.849 267 E CB -0.053 29.669 29.700 0.037 0.000 0.774 267 E HN 0.516 nan 8.360 nan 0.000 0.506 268 R N -0.853 119.689 120.500 0.071 0.000 2.334 268 R HA 0.135 4.475 4.340 0.001 0.000 0.216 268 R C 0.899 177.233 176.300 0.057 0.000 0.905 268 R CA 0.550 56.695 56.100 0.075 0.000 1.064 268 R CB 0.640 31.009 30.300 0.115 0.000 1.046 268 R HN 0.169 nan 8.270 nan 0.000 0.508 269 G N 0.842 109.671 108.800 0.048 0.000 2.134 269 G HA2 -0.221 3.739 3.960 0.001 0.000 0.209 269 G HA3 -0.221 3.739 3.960 0.001 0.000 0.209 269 G C 0.102 175.023 174.900 0.036 0.000 0.993 269 G CA -0.198 44.924 45.100 0.038 0.000 0.669 269 G HN 0.094 nan 8.290 nan 0.000 0.519 270 V N 0.359 120.299 119.914 0.044 0.000 2.686 270 V HA 0.314 4.435 4.120 0.001 0.000 0.295 270 V C 1.304 177.412 176.094 0.024 0.000 1.055 270 V CA 0.281 62.603 62.300 0.037 0.000 1.050 270 V CB 1.623 33.477 31.823 0.050 0.000 0.984 270 V HN 0.315 nan 8.190 nan 0.000 0.482 271 K N 3.745 124.156 120.400 0.019 0.000 2.737 271 K HA 0.241 4.561 4.320 0.001 0.000 0.251 271 K C -0.158 176.448 176.600 0.010 0.000 1.280 271 K CA -0.305 55.991 56.287 0.015 0.000 1.219 271 K CB -0.205 32.303 32.500 0.014 0.000 1.587 271 K HN 0.697 nan 8.250 nan 0.000 0.279 272 V N -0.392 119.525 119.914 0.005 0.000 3.003 272 V HA 0.501 4.622 4.120 0.001 0.000 0.305 272 V C 0.026 176.106 176.094 -0.023 0.000 1.078 272 V CA -0.294 62.001 62.300 -0.009 0.000 1.083 272 V CB 1.329 33.140 31.823 -0.020 0.000 1.039 272 V HN 0.543 nan 8.190 nan 0.000 0.481 273 T N 0.492 115.022 114.554 -0.040 0.000 2.916 273 T HA 0.659 5.009 4.350 0.001 0.000 0.305 273 T C -0.837 173.792 174.700 -0.119 0.000 1.119 273 T CA -0.680 61.390 62.100 -0.049 0.000 1.008 273 T CB 1.448 70.313 68.868 -0.004 0.000 1.129 273 T HN 0.853 nan 8.240 nan 0.000 0.480 274 V N 3.127 122.927 119.914 -0.191 0.000 2.465 274 V HA 0.592 4.712 4.120 0.001 0.000 0.279 274 V C -0.339 175.675 176.094 -0.133 0.000 1.045 274 V CA -0.548 61.555 62.300 -0.329 0.000 0.938 274 V CB 0.755 32.024 31.823 -0.924 0.000 0.986 274 V HN 1.021 nan 8.190 nan 0.000 0.467 275 N N 1.193 119.813 118.700 -0.133 0.000 2.396 275 N HA 0.336 5.076 4.740 0.001 0.000 0.275 275 N C 0.483 175.956 175.510 -0.062 0.000 1.218 275 N CA -0.310 52.708 53.050 -0.053 0.000 0.812 275 N CB 1.886 40.338 38.487 -0.058 0.000 1.592 275 N HN 0.573 nan 8.380 nan 0.000 0.480 276 S N -0.242 115.464 115.700 0.010 0.000 2.496 276 S HA -0.008 4.462 4.470 0.001 0.000 0.224 276 S C 0.841 175.464 174.600 0.038 0.000 0.996 276 S CA 1.030 59.241 58.200 0.017 0.000 0.927 276 S CB -0.134 63.061 63.200 -0.007 0.000 0.774 276 S HN 0.707 nan 8.310 nan 0.000 0.524 277 D N 1.732 122.144 120.400 0.022 0.000 4.365 277 D HA -0.201 4.439 4.640 0.001 0.000 0.211 277 D C -0.800 175.644 176.300 0.240 0.000 1.059 277 D CA 2.293 56.383 54.000 0.149 0.000 2.239 277 D CB -1.521 39.356 40.800 0.128 0.000 1.164 277 D HN 0.543 nan 8.370 nan 0.000 0.406 278 D N -0.232 120.158 120.400 -0.017 0.000 2.846 278 D HA 0.229 4.869 4.640 0.001 0.000 0.279 278 D C -2.083 173.923 176.300 -0.490 0.000 1.222 278 D CA -0.821 52.990 54.000 -0.316 0.000 0.769 278 D CB 1.696 42.028 40.800 -0.779 0.000 1.299 278 D HN 0.168 nan 8.370 nan 0.000 0.537 279 P HA -0.210 nan 4.420 nan 0.000 0.211 279 P C 1.559 178.696 177.300 -0.271 0.000 1.181 279 P CA 1.498 64.328 63.100 -0.450 0.000 0.929 279 P CB 0.273 31.241 31.700 -1.220 0.000 0.789 280 A N -2.184 120.538 122.820 -0.165 0.000 2.104 280 A HA -0.255 4.065 4.320 0.001 0.000 0.223 280 A C 1.896 179.415 177.584 -0.109 0.000 1.164 280 A CA 1.875 53.900 52.037 -0.019 0.000 0.659 280 A CB -1.880 17.118 19.000 -0.002 0.000 0.808 280 A HN 0.266 nan 8.150 nan 0.000 0.465 281 Y N -3.192 116.958 120.300 -0.250 0.000 2.503 281 Y HA 0.186 4.737 4.550 0.001 0.000 0.277 281 Y C 1.023 176.894 175.900 -0.049 0.000 1.102 281 Y CA 0.478 58.319 58.100 -0.432 0.000 1.261 281 Y CB 0.360 38.410 38.460 -0.684 0.000 1.096 281 Y HN 0.304 nan 8.280 nan 0.000 0.546 282 F N -0.964 119.071 119.950 0.142 0.000 2.654 282 F HA 0.457 4.985 4.527 0.001 0.000 0.303 282 F C 1.457 177.323 175.800 0.111 0.000 1.099 282 F CA -0.540 57.528 58.000 0.113 0.000 1.270 282 F CB 0.080 39.071 39.000 -0.015 0.000 1.024 282 F HN -0.014 nan 8.300 nan 0.000 0.548 283 G N 0.637 109.596 108.800 0.265 0.000 2.198 283 G HA2 0.098 4.058 3.960 0.001 0.000 0.257 283 G HA3 0.098 4.058 3.960 0.001 0.000 0.257 283 G C 0.380 175.397 174.900 0.194 0.000 1.042 283 G CA 0.057 45.285 45.100 0.213 0.000 0.791 283 G HN 0.949 nan 8.290 nan 0.000 0.502 284 G N -1.894 107.004 108.800 0.164 0.000 2.596 284 G HA2 0.619 4.579 3.960 0.001 0.000 0.296 284 G HA3 0.619 4.579 3.960 0.001 0.000 0.296 284 G C -0.851 174.098 174.900 0.081 0.000 1.513 284 G CA -0.643 44.579 45.100 0.202 0.000 0.851 284 G HN 0.363 nan 8.290 nan 0.000 0.548 285 Y N 0.064 120.457 120.300 0.155 0.000 2.518 285 Y HA 0.490 5.040 4.550 0.001 0.000 0.332 285 Y C 1.870 177.862 175.900 0.153 0.000 1.276 285 Y CA -0.002 58.191 58.100 0.153 0.000 1.418 285 Y CB 1.118 39.658 38.460 0.133 0.000 1.527 285 Y HN 0.372 nan 8.280 nan 0.000 0.549 286 V N 0.254 120.352 119.914 0.307 0.000 2.252 286 V HA -0.324 3.796 4.120 0.001 0.000 0.249 286 V C 1.750 178.033 176.094 0.316 0.000 1.056 286 V CA 3.030 65.484 62.300 0.258 0.000 1.022 286 V CB -0.767 31.204 31.823 0.247 0.000 0.641 286 V HN 1.044 nan 8.190 nan 0.000 0.445 287 T N -0.304 114.367 114.554 0.194 0.000 2.699 287 T HA -0.241 4.109 4.350 0.001 0.000 0.268 287 T C 1.686 176.492 174.700 0.176 0.000 1.036 287 T CA 1.967 64.105 62.100 0.062 0.000 1.147 287 T CB -0.331 68.409 68.868 -0.213 0.000 0.862 287 T HN 0.566 nan 8.240 nan 0.000 0.446 288 E N 1.166 121.515 120.200 0.250 0.000 2.051 288 E HA -0.071 4.279 4.350 0.001 0.000 0.192 288 E C 2.345 179.103 176.600 0.263 0.000 0.991 288 E CA 0.841 57.427 56.400 0.309 0.000 0.799 288 E CB -0.351 29.522 29.700 0.289 0.000 0.748 288 E HN 0.452 nan 8.360 nan 0.000 0.449 289 N N -0.329 118.487 118.700 0.193 0.000 2.061 289 N HA -0.174 4.566 4.740 0.001 0.000 0.193 289 N C 1.788 177.311 175.510 0.021 0.000 1.030 289 N CA 1.166 54.254 53.050 0.063 0.000 0.856 289 N CB -0.369 38.107 38.487 -0.019 0.000 1.023 289 N HN 0.137 nan 8.380 nan 0.000 0.424 290 F N 1.135 121.101 119.950 0.025 0.000 2.091 290 F HA -0.208 4.319 4.527 0.001 0.000 0.299 290 F C 2.694 178.543 175.800 0.081 0.000 1.103 290 F CA 1.424 59.440 58.000 0.027 0.000 1.228 290 F CB -0.647 38.364 39.000 0.017 0.000 0.984 290 F HN 0.285 nan 8.300 nan 0.000 0.477 291 H N -0.306 118.901 119.070 0.230 0.000 2.387 291 H HA -0.134 4.422 4.556 0.001 0.000 0.299 291 H C 2.242 177.641 175.328 0.118 0.000 1.090 291 H CA 1.069 57.228 56.048 0.185 0.000 1.332 291 H CB -0.017 29.897 29.762 0.254 0.000 1.386 291 H HN 0.273 nan 8.280 nan 0.000 0.516 292 A N 1.057 123.944 122.820 0.112 0.000 1.978 292 A HA -0.126 4.194 4.320 0.001 0.000 0.220 292 A C 2.655 180.192 177.584 -0.078 0.000 1.170 292 A CA 1.085 53.118 52.037 -0.006 0.000 0.636 292 A CB -0.655 18.352 19.000 0.012 0.000 0.810 292 A HN 0.408 nan 8.150 nan 0.000 0.448 293 L N -1.065 120.112 121.223 -0.076 0.000 2.072 293 L HA -0.169 4.171 4.340 0.001 0.000 0.205 293 L C 2.913 179.739 176.870 -0.074 0.000 1.079 293 L CA 1.452 56.225 54.840 -0.112 0.000 0.752 293 L CB -0.554 41.418 42.059 -0.146 0.000 0.906 293 L HN 0.545 nan 8.230 nan 0.000 0.436 294 Q N 0.523 120.300 119.800 -0.038 0.000 2.050 294 Q HA -0.242 4.099 4.340 0.001 0.000 0.202 294 Q C 2.043 177.975 176.000 -0.113 0.000 0.980 294 Q CA 1.770 57.544 55.803 -0.048 0.000 0.840 294 Q CB -0.083 28.654 28.738 -0.002 0.000 0.898 294 Q HN 0.572 nan 8.270 nan 0.000 0.424 295 Q N -0.582 119.100 119.800 -0.197 0.000 2.119 295 Q HA -0.053 4.288 4.340 0.001 0.000 0.201 295 Q C 1.982 177.920 176.000 -0.103 0.000 0.972 295 Q CA 1.596 57.290 55.803 -0.182 0.000 0.847 295 Q CB 0.189 28.779 28.738 -0.247 0.000 0.903 295 Q HN 0.280 nan 8.270 nan 0.000 0.433 296 S N -0.211 115.433 115.700 -0.092 0.000 2.527 296 S HA 0.187 4.658 4.470 0.001 0.000 0.227 296 S C 1.479 176.038 174.600 -0.068 0.000 1.059 296 S CA 0.011 58.169 58.200 -0.070 0.000 0.919 296 S CB 0.527 63.688 63.200 -0.065 0.000 0.805 296 S HN 0.179 nan 8.310 nan 0.000 0.500 297 L N 1.576 122.751 121.223 -0.079 0.000 2.769 297 L HA 0.343 4.683 4.340 0.001 0.000 0.240 297 L C 1.111 177.946 176.870 -0.058 0.000 1.163 297 L CA -0.222 54.573 54.840 -0.074 0.000 0.962 297 L CB -0.359 41.642 42.059 -0.098 0.000 1.258 297 L HN 0.390 nan 8.230 nan 0.000 0.513 301 E N 0.060 120.216 120.200 -0.074 0.000 2.204 301 E HA -0.140 4.211 4.350 0.001 0.000 0.195 301 E C 1.626 178.351 176.600 0.208 0.000 0.990 301 E CA 1.090 57.430 56.400 -0.099 0.000 0.821 301 E CB 0.103 29.528 29.700 -0.459 0.000 0.750 301 E HN 0.673 nan 8.360 nan 0.000 0.477 302 E N 0.971 121.235 120.200 0.107 0.000 2.122 302 E HA -0.137 4.213 4.350 0.001 0.000 0.190 302 E C 1.923 178.595 176.600 0.119 0.000 0.977 302 E CA 0.457 56.927 56.400 0.117 0.000 0.820 302 E CB 0.195 29.932 29.700 0.061 0.000 0.770 302 E HN 0.290 nan 8.360 nan 0.000 0.462 303 Q N 0.027 119.888 119.800 0.101 0.000 2.226 303 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 303 Q C 2.045 178.137 176.000 0.152 0.000 0.975 303 Q CA 1.193 57.053 55.803 0.094 0.000 0.866 303 Q CB -0.075 28.698 28.738 0.058 0.000 0.915 303 Q HN 0.223 nan 8.270 nan 0.000 0.440 304 A N 1.414 124.378 122.820 0.239 0.000 1.873 304 A HA -0.171 4.149 4.320 0.001 0.000 0.215 304 A C 2.001 179.726 177.584 0.235 0.000 1.186 304 A CA 1.106 53.350 52.037 0.344 0.000 0.616 304 A CB -0.328 18.964 19.000 0.487 0.000 0.823 304 A HN 0.192 nan 8.150 nan 0.000 0.442 305 R N -1.039 119.577 120.500 0.193 0.000 2.105 305 R HA -0.117 4.223 4.340 0.001 0.000 0.239 305 R C 2.472 178.816 176.300 0.073 0.000 1.135 305 R CA 1.603 57.756 56.100 0.089 0.000 0.967 305 R CB -0.256 30.113 30.300 0.115 0.000 0.861 305 R HN 0.496 nan 8.270 nan 0.000 0.442 306 R N 0.723 121.279 120.500 0.093 0.000 2.062 306 R HA -0.025 4.316 4.340 0.001 0.000 0.229 306 R C 2.315 178.660 176.300 0.074 0.000 1.128 306 R CA 1.008 57.149 56.100 0.068 0.000 0.960 306 R CB -0.177 30.159 30.300 0.060 0.000 0.855 306 R HN 0.122 nan 8.270 nan 0.000 0.432 307 L N -0.150 121.140 121.223 0.111 0.000 1.989 307 L HA -0.175 4.166 4.340 0.001 0.000 0.211 307 L C 2.597 179.575 176.870 0.180 0.000 1.071 307 L CA 1.476 56.390 54.840 0.122 0.000 0.749 307 L CB -0.603 41.523 42.059 0.112 0.000 0.890 307 L HN 0.307 nan 8.230 nan 0.000 0.431 308 A N -0.609 122.346 122.820 0.225 0.000 1.978 308 A HA -0.281 4.039 4.320 0.001 0.000 0.220 308 A C 2.202 179.813 177.584 0.045 0.000 1.170 308 A CA 2.012 54.122 52.037 0.121 0.000 0.636 308 A CB -0.461 18.497 19.000 -0.070 0.000 0.810 308 A HN 0.445 nan 8.150 nan 0.000 0.448 309 Q N 0.234 120.055 119.800 0.035 0.000 2.212 309 Q HA -0.008 4.332 4.340 0.001 0.000 0.199 309 Q C 1.654 177.660 176.000 0.010 0.000 0.950 309 Q CA 1.727 57.535 55.803 0.009 0.000 0.863 309 Q CB -0.540 28.203 28.738 0.008 0.000 0.944 309 Q HN 0.800 nan 8.270 nan 0.000 0.465 310 N N -0.505 118.209 118.700 0.024 0.000 2.104 310 N HA -0.192 4.549 4.740 0.001 0.000 0.190 310 N C 1.691 177.205 175.510 0.007 0.000 1.024 310 N CA 1.382 54.441 53.050 0.015 0.000 0.853 310 N CB -0.132 38.367 38.487 0.019 0.000 1.008 310 N HN 0.391 nan 8.380 nan 0.000 0.424 311 S N 1.521 117.233 115.700 0.021 0.000 2.368 311 S HA -0.105 4.366 4.470 0.001 0.000 0.225 311 S C 2.013 176.596 174.600 -0.028 0.000 1.030 311 S CA 0.809 59.019 58.200 0.016 0.000 0.999 311 S CB -0.744 62.491 63.200 0.058 0.000 0.844 311 S HN 0.233 nan 8.310 nan 0.000 0.459 312 L N 1.523 122.725 121.223 -0.035 0.000 2.046 312 L HA -0.100 4.240 4.340 0.001 0.000 0.208 312 L C 2.481 179.301 176.870 -0.084 0.000 1.077 312 L CA 1.595 56.389 54.840 -0.076 0.000 0.747 312 L CB -0.797 41.229 42.059 -0.056 0.000 0.896 312 L HN 0.275 nan 8.230 nan 0.000 0.432 313 D N 0.510 120.881 120.400 -0.047 0.000 2.144 313 D HA -0.122 4.518 4.640 0.001 0.000 0.200 313 D C 2.066 178.341 176.300 -0.042 0.000 0.978 313 D CA 1.507 55.484 54.000 -0.038 0.000 0.833 313 D CB 0.032 40.822 40.800 -0.017 0.000 0.961 313 D HN 0.327 nan 8.370 nan 0.000 0.470 314 A N 0.568 123.364 122.820 -0.039 0.000 2.238 314 A HA 0.020 4.340 4.320 0.001 0.000 0.208 314 A C 0.932 178.489 177.584 -0.045 0.000 1.177 314 A CA -0.151 51.870 52.037 -0.026 0.000 0.804 314 A CB -0.250 18.746 19.000 -0.007 0.000 0.823 314 A HN 0.034 nan 8.150 nan 0.000 0.482 315 R N -0.003 120.431 120.500 -0.111 0.000 2.537 315 R HA 0.073 4.414 4.340 0.001 0.000 0.281 315 R C 0.418 176.679 176.300 -0.064 0.000 0.988 315 R CA -0.011 55.985 56.100 -0.173 0.000 1.077 315 R CB 0.226 30.273 30.300 -0.422 0.000 0.932 315 R HN 0.411 nan 8.270 nan 0.000 0.409 316 L N 2.896 124.123 121.223 0.006 0.000 2.492 316 L HA 0.066 4.407 4.340 0.001 0.000 0.223 316 L C 0.826 177.730 176.870 0.058 0.000 1.132 316 L CA 0.403 55.271 54.840 0.047 0.000 0.850 316 L CB 0.088 42.197 42.059 0.084 0.000 0.966 316 L HN 0.400 nan 8.230 nan 0.000 0.454 317 V N 0.000 119.959 119.914 0.076 0.000 2.409 317 V HA 0.000 4.120 4.120 0.001 0.000 0.244 317 V CA 0.000 62.363 62.300 0.105 0.000 1.235 317 V CB 0.000 31.898 31.823 0.125 0.000 1.184 317 V HN 0.000 nan 8.190 nan 0.000 0.556