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 1zsn_1_A DATA FIRST_RESID 97 DATA SEQUENCE EDICFIAGIG DTNGYGWGIA KELSKRNVKI IFGIWPPVYN IFMKNYKNGK DATA SEQUENCE FDNDMIIDKD KKMNILDMLP FDASFDTAND IDEETKNNKR YNMLQNYTIE DATA SEQUENCE DVANLIHQKY GKINMLVHSL ANAKEVQKDL LNTSRKGYLD ALSKSSYSLI DATA SEQUENCE SLCKYFVNIM KPQSSIISLT YHASQKVVPG YGGGMSSAKA ALESDTRVLA DATA SEQUENCE YHLGRNYNIR INTISAGPLK SRAATAINXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXY TFIDYAIEYS EKYAPLRQKL LSTDIGSVAS DATA SEQUENCE FLLSRESRAI TGQTIYVDNG LNIMFLPDDI YRN 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 97 E HA 0.000 nan 4.350 nan 0.000 0.291 97 E C 0.000 176.596 176.600 -0.007 0.000 1.382 97 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 97 E CB 0.000 29.701 29.700 0.002 0.000 0.812 98 D N 1.450 121.839 120.400 -0.018 0.000 2.248 98 D HA 0.469 5.109 4.640 -0.000 0.000 0.246 98 D C 0.395 176.675 176.300 -0.034 0.000 1.027 98 D CA -0.454 53.534 54.000 -0.019 0.000 0.853 98 D CB 1.729 42.516 40.800 -0.023 0.000 1.243 98 D HN 0.120 nan 8.370 nan 0.000 0.462 99 I N 0.865 121.422 120.570 -0.021 0.000 2.436 99 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 99 I C -0.067 176.042 176.117 -0.013 0.000 1.010 99 I CA -0.847 60.432 61.300 -0.035 0.000 1.098 99 I CB 1.103 39.094 38.000 -0.015 0.000 1.266 99 I HN 0.291 nan 8.210 nan 0.000 0.434 100 C N 7.196 126.468 119.300 -0.047 0.000 2.322 100 C HA 0.598 5.058 4.460 -0.000 0.000 0.324 100 C C -0.299 174.687 174.990 -0.006 0.000 1.284 100 C CA -0.695 58.301 59.018 -0.037 0.000 1.606 100 C CB 0.233 27.918 27.740 -0.091 0.000 2.251 100 C HN 0.718 nan 8.230 nan 0.000 0.502 101 F N 6.851 126.728 119.950 -0.123 0.000 2.408 101 F HA 0.725 5.252 4.527 -0.000 0.000 0.344 101 F C -0.388 175.287 175.800 -0.208 0.000 1.112 101 F CA -0.603 57.306 58.000 -0.153 0.000 1.096 101 F CB 0.606 39.544 39.000 -0.105 0.000 1.129 101 F HN 0.494 nan 8.300 nan 0.000 0.486 102 I N 6.454 126.540 120.570 -0.806 0.000 2.355 102 I HA 0.385 4.555 4.170 -0.000 0.000 0.288 102 I C -0.391 175.066 176.117 -1.100 0.000 0.999 102 I CA -0.803 60.066 61.300 -0.718 0.000 1.163 102 I CB 1.681 39.551 38.000 -0.216 0.000 1.316 102 I HN 0.730 nan 8.210 nan 0.000 0.454 103 A N 5.408 127.550 122.820 -1.130 0.000 2.294 103 A HA 0.741 5.061 4.320 -0.000 0.000 0.316 103 A C 0.480 177.731 177.584 -0.556 0.000 1.359 103 A CA -0.125 51.249 52.037 -1.105 0.000 0.956 103 A CB -0.032 18.243 19.000 -1.207 0.000 1.155 103 A HN 1.079 nan 8.150 nan 0.000 0.544 104 G N 1.181 109.770 108.800 -0.351 0.000 3.353 104 G HA2 0.298 4.258 3.960 -0.000 0.000 0.682 104 G HA3 0.298 4.258 3.960 -0.000 0.000 0.682 104 G C -0.909 173.881 174.900 -0.183 0.000 1.192 104 G CA -0.184 44.799 45.100 -0.195 0.000 1.111 104 G HN 1.916 nan 8.290 nan 0.000 0.493 105 I N 1.651 122.110 120.570 -0.185 0.000 2.718 105 I HA 0.501 4.671 4.170 -0.000 0.000 0.285 105 I C 0.404 176.328 176.117 -0.322 0.000 1.680 105 I CA 0.043 61.189 61.300 -0.257 0.000 1.068 105 I CB 1.178 38.945 38.000 -0.388 0.000 1.544 105 I HN 1.047 nan 8.210 nan 0.000 0.443 106 G N 4.790 113.486 108.800 -0.173 0.000 3.274 106 G HA2 0.442 4.402 3.960 -0.000 0.000 0.250 106 G HA3 0.442 4.402 3.960 -0.000 0.000 0.250 106 G C -0.410 174.616 174.900 0.210 0.000 1.024 106 G CA 0.721 45.810 45.100 -0.018 0.000 0.840 106 G HN 0.775 nan 8.290 nan 0.000 0.522 107 D N -2.941 117.469 120.400 0.017 0.000 2.879 107 D HA 0.229 4.869 4.640 -0.000 0.000 0.346 107 D C 0.822 176.754 176.300 -0.614 0.000 1.390 107 D CA 0.180 54.054 54.000 -0.210 0.000 0.838 107 D CB -0.050 40.671 40.800 -0.133 0.000 1.416 107 D HN -0.078 nan 8.370 nan 0.000 0.493 108 T N -3.425 110.577 114.554 -0.921 0.000 3.044 108 T HA 0.094 4.444 4.350 -0.000 0.000 0.250 108 T C 0.582 174.969 174.700 -0.522 0.000 1.081 108 T CA 0.036 61.363 62.100 -1.289 0.000 1.040 108 T CB -0.436 67.477 68.868 -1.592 0.000 0.962 108 T HN 0.400 nan 8.240 nan 0.000 0.506 109 N N 2.001 120.514 118.700 -0.310 0.000 2.434 109 N HA 0.168 4.908 4.740 -0.000 0.000 0.196 109 N C 0.898 176.317 175.510 -0.151 0.000 1.183 109 N CA 0.139 53.085 53.050 -0.173 0.000 0.849 109 N CB 0.332 38.737 38.487 -0.136 0.000 0.992 109 N HN 0.586 nan 8.380 nan 0.000 0.460 110 G N -0.605 108.123 108.800 -0.120 0.000 2.613 110 G HA2 0.293 4.253 3.960 -0.000 0.000 0.303 110 G HA3 0.293 4.253 3.960 -0.000 0.000 0.303 110 G C 0.051 174.921 174.900 -0.050 0.000 1.312 110 G CA -0.391 44.641 45.100 -0.113 0.000 1.036 110 G HN -0.082 nan 8.290 nan 0.000 0.513 111 Y N 0.622 120.935 120.300 0.021 0.000 2.184 111 Y HA 0.028 4.578 4.550 -0.000 0.000 0.290 111 Y C 2.972 178.893 175.900 0.035 0.000 1.129 111 Y CA 1.472 59.587 58.100 0.026 0.000 1.144 111 Y CB -0.719 37.740 38.460 -0.001 0.000 0.995 111 Y HN 0.526 nan 8.280 nan 0.000 0.513 112 G N -0.231 108.675 108.800 0.176 0.000 2.513 112 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 112 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 112 G C 1.720 176.724 174.900 0.174 0.000 1.160 112 G CA 0.947 46.113 45.100 0.110 0.000 0.767 112 G HN 0.567 nan 8.290 nan 0.000 0.571 113 W N 1.857 123.147 121.300 -0.016 0.000 2.388 113 W HA -0.073 4.587 4.660 -0.000 0.000 0.294 113 W C 2.418 178.966 176.519 0.049 0.000 1.212 113 W CA 1.404 58.749 57.345 -0.001 0.000 1.271 113 W CB -0.439 28.956 29.460 -0.109 0.000 1.126 113 W HN 0.252 nan 8.180 nan 0.000 0.535 114 G N 1.267 110.192 108.800 0.209 0.000 2.440 114 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 114 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 114 G C 1.506 176.430 174.900 0.039 0.000 1.154 114 G CA 1.451 46.633 45.100 0.135 0.000 0.767 114 G HN 0.287 nan 8.290 nan 0.000 0.552 115 I N 1.215 121.813 120.570 0.047 0.000 2.226 115 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 115 I C 3.262 179.331 176.117 -0.080 0.000 1.100 115 I CA 0.989 62.284 61.300 -0.009 0.000 1.374 115 I CB -0.316 37.680 38.000 -0.007 0.000 1.057 115 I HN 0.262 nan 8.210 nan 0.000 0.413 116 A N 0.926 123.668 122.820 -0.130 0.000 1.897 116 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 116 A C 2.343 179.750 177.584 -0.295 0.000 1.181 116 A CA 1.305 53.204 52.037 -0.231 0.000 0.620 116 A CB -0.384 18.477 19.000 -0.231 0.000 0.821 116 A HN 0.267 nan 8.150 nan 0.000 0.443 117 K N -0.357 119.823 120.400 -0.366 0.000 2.020 117 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 117 K C 1.926 178.445 176.600 -0.135 0.000 1.050 117 K CA 1.602 57.730 56.287 -0.265 0.000 0.929 117 K CB -0.170 32.208 32.500 -0.202 0.000 0.714 117 K HN 0.374 nan 8.250 nan 0.000 0.443 118 E N 0.746 120.890 120.200 -0.092 0.000 2.204 118 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 118 E C 2.059 178.630 176.600 -0.049 0.000 0.989 118 E CA 0.798 57.170 56.400 -0.046 0.000 0.824 118 E CB -0.037 29.652 29.700 -0.017 0.000 0.756 118 E HN 0.315 nan 8.360 nan 0.000 0.477 119 L N 0.524 121.702 121.223 -0.075 0.000 2.179 119 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 119 L C 2.312 179.135 176.870 -0.079 0.000 1.096 119 L CA 0.608 55.404 54.840 -0.073 0.000 0.779 119 L CB -0.105 41.896 42.059 -0.096 0.000 0.922 119 L HN -0.022 nan 8.230 nan 0.000 0.443 120 S N -0.330 115.310 115.700 -0.100 0.000 2.402 120 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 120 S C 1.873 176.440 174.600 -0.055 0.000 1.021 120 S CA 0.969 59.115 58.200 -0.090 0.000 0.974 120 S CB -0.109 63.025 63.200 -0.110 0.000 0.800 120 S HN 0.324 nan 8.310 nan 0.000 0.484 121 K N 0.915 121.288 120.400 -0.044 0.000 2.160 121 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 121 K C 1.749 178.338 176.600 -0.018 0.000 1.047 121 K CA 1.028 57.300 56.287 -0.024 0.000 0.930 121 K CB -0.071 32.420 32.500 -0.016 0.000 0.720 121 K HN 0.192 nan 8.250 nan 0.000 0.450 122 R N 0.547 121.033 120.500 -0.023 0.000 2.388 122 R HA 0.108 4.448 4.340 -0.000 0.000 0.247 122 R C -0.335 175.951 176.300 -0.024 0.000 0.931 122 R CA -0.088 56.002 56.100 -0.017 0.000 1.082 122 R CB 0.181 30.473 30.300 -0.013 0.000 1.135 122 R HN 0.208 nan 8.270 nan 0.000 0.525 123 N N 0.453 119.135 118.700 -0.031 0.000 2.740 123 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 123 N C -1.041 174.441 175.510 -0.046 0.000 1.062 123 N CA 0.714 53.743 53.050 -0.035 0.000 0.704 123 N CB -1.025 37.448 38.487 -0.022 0.000 0.968 123 N HN -0.023 nan 8.380 nan 0.000 0.547 124 V N 0.688 120.565 119.914 -0.062 0.000 2.407 124 V HA 0.193 4.313 4.120 -0.000 0.000 0.278 124 V C 0.759 176.790 176.094 -0.106 0.000 1.037 124 V CA -0.610 61.646 62.300 -0.074 0.000 0.900 124 V CB 1.782 33.561 31.823 -0.075 0.000 0.983 124 V HN 0.044 nan 8.190 nan 0.000 0.459 125 K N 4.696 125.031 120.400 -0.109 0.000 2.401 125 K HA 0.361 4.681 4.320 -0.000 0.000 0.278 125 K C -0.512 175.971 176.600 -0.195 0.000 1.018 125 K CA 0.064 56.261 56.287 -0.150 0.000 0.981 125 K CB 0.242 32.652 32.500 -0.151 0.000 0.933 125 K HN 0.382 nan 8.250 nan 0.000 0.477 126 I N 5.026 125.433 120.570 -0.272 0.000 2.362 126 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 126 I C -0.058 175.801 176.117 -0.430 0.000 0.994 126 I CA -0.681 60.376 61.300 -0.404 0.000 1.158 126 I CB 0.919 38.549 38.000 -0.616 0.000 1.315 126 I HN 0.479 nan 8.210 nan 0.000 0.451 127 I N 6.060 126.462 120.570 -0.281 0.000 2.339 127 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 127 I C -0.522 175.544 176.117 -0.085 0.000 0.994 127 I CA -0.523 60.718 61.300 -0.098 0.000 1.191 127 I CB 1.039 39.133 38.000 0.157 0.000 1.343 127 I HN 0.208 nan 8.210 nan 0.000 0.458 128 F N 3.629 123.633 119.950 0.090 0.000 2.394 128 F HA 0.507 5.034 4.527 -0.000 0.000 0.340 128 F C 1.004 176.863 175.800 0.099 0.000 1.105 128 F CA -0.870 57.114 58.000 -0.026 0.000 1.124 128 F CB 1.368 40.324 39.000 -0.074 0.000 1.145 128 F HN 0.371 nan 8.300 nan 0.000 0.505 129 G N 4.948 113.795 108.800 0.079 0.000 2.384 129 G HA2 0.603 4.563 3.960 -0.000 0.000 0.316 129 G HA3 0.603 4.563 3.960 -0.000 0.000 0.316 129 G C -0.954 174.009 174.900 0.105 0.000 1.160 129 G CA -0.459 44.735 45.100 0.156 0.000 0.936 129 G HN 0.391 nan 8.290 nan 0.000 0.455 130 I N 1.868 122.593 120.570 0.257 0.000 2.433 130 I HA 0.280 4.449 4.170 -0.000 0.000 0.292 130 I C -0.373 175.943 176.117 0.333 0.000 1.001 130 I CA -1.533 59.877 61.300 0.182 0.000 1.119 130 I CB 1.754 39.829 38.000 0.125 0.000 1.289 130 I HN 0.540 nan 8.210 nan 0.000 0.438 131 W N 9.497 130.854 121.300 0.095 0.000 2.443 131 W HA 0.127 4.787 4.660 -0.000 0.000 0.335 131 W C -1.693 174.814 176.519 -0.019 0.000 1.382 131 W CA -0.953 56.430 57.345 0.064 0.000 1.305 131 W CB 0.143 29.629 29.460 0.044 0.000 1.283 131 W HN 0.417 nan 8.180 nan 0.000 0.567 132 P HA -0.249 nan 4.420 nan 0.000 0.215 132 P C -1.139 175.767 177.300 -0.655 0.000 1.163 132 P CA 3.026 65.732 63.100 -0.656 0.000 0.894 132 P CB -0.868 30.002 31.700 -1.383 0.000 0.791 133 P HA -0.151 nan 4.420 nan 0.000 0.217 133 P C 1.335 178.440 177.300 -0.326 0.000 1.151 133 P CA 1.558 64.205 63.100 -0.755 0.000 0.849 133 P CB -0.545 30.375 31.700 -1.301 0.000 0.787 134 V N -5.686 114.139 119.914 -0.149 0.000 3.621 134 V HA 0.096 4.216 4.120 -0.000 0.000 0.285 134 V C 2.001 178.159 176.094 0.107 0.000 1.346 134 V CA -0.053 62.282 62.300 0.058 0.000 1.104 134 V CB -1.687 30.254 31.823 0.196 0.000 0.913 134 V HN 0.002 nan 8.190 nan 0.000 0.432 135 Y N 2.730 123.008 120.300 -0.037 0.000 2.165 135 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 135 Y C 2.122 178.084 175.900 0.102 0.000 1.155 135 Y CA 2.601 60.718 58.100 0.027 0.000 1.164 135 Y CB -0.410 38.028 38.460 -0.037 0.000 0.978 135 Y HN 0.356 nan 8.280 nan 0.000 0.513 136 N N 0.013 118.723 118.700 0.018 0.000 2.171 136 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 136 N C 1.815 177.289 175.510 -0.060 0.000 1.021 136 N CA 1.305 54.321 53.050 -0.057 0.000 0.854 136 N CB -0.263 38.258 38.487 0.056 0.000 0.994 136 N HN 0.560 nan 8.380 nan 0.000 0.426 137 I N -0.621 119.949 120.570 -0.002 0.000 2.394 137 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 137 I C 1.737 177.871 176.117 0.029 0.000 1.136 137 I CA 1.159 62.464 61.300 0.007 0.000 1.425 137 I CB -0.296 37.719 38.000 0.024 0.000 1.079 137 I HN 0.040 nan 8.210 nan 0.000 0.425 138 F N 0.510 120.424 119.950 -0.060 0.000 2.146 138 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 138 F C 2.251 178.051 175.800 -0.001 0.000 1.096 138 F CA 1.543 59.554 58.000 0.018 0.000 1.275 138 F CB -0.168 38.831 39.000 -0.002 0.000 1.008 138 F HN 0.017 nan 8.300 nan 0.000 0.480 139 M N 0.663 120.281 119.600 0.031 0.000 2.080 139 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 139 M C 2.209 178.490 176.300 -0.031 0.000 1.068 139 M CA 1.759 57.045 55.300 -0.024 0.000 1.109 139 M CB -1.234 31.230 32.600 -0.226 0.000 1.342 139 M HN 0.143 nan 8.290 nan 0.000 0.405 140 K N 0.363 120.708 120.400 -0.092 0.000 2.002 140 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 140 K C 1.735 178.197 176.600 -0.230 0.000 1.048 140 K CA 1.635 57.849 56.287 -0.121 0.000 0.930 140 K CB -0.142 32.299 32.500 -0.098 0.000 0.714 140 K HN 0.223 nan 8.250 nan 0.000 0.438 141 N N -0.214 118.283 118.700 -0.338 0.000 2.094 141 N HA -0.221 4.519 4.740 -0.000 0.000 0.191 141 N C 1.681 176.682 175.510 -0.848 0.000 1.023 141 N CA 1.507 54.181 53.050 -0.625 0.000 0.857 141 N CB -0.583 37.411 38.487 -0.822 0.000 1.013 141 N HN 0.313 nan 8.380 nan 0.000 0.426 142 Y N 1.857 121.649 120.300 -0.846 0.000 2.097 142 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 142 Y C 2.429 178.153 175.900 -0.293 0.000 1.152 142 Y CA 1.833 59.611 58.100 -0.538 0.000 1.136 142 Y CB -0.433 37.940 38.460 -0.146 0.000 0.975 142 Y HN -0.058 nan 8.280 nan 0.000 0.498 143 K N -0.126 120.089 120.400 -0.308 0.000 2.152 143 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 143 K C 1.268 177.692 176.600 -0.294 0.000 1.048 143 K CA 1.575 57.685 56.287 -0.295 0.000 0.933 143 K CB -0.138 32.295 32.500 -0.112 0.000 0.721 143 K HN 0.352 nan 8.250 nan 0.000 0.447 144 N N -0.554 117.966 118.700 -0.301 0.000 2.461 144 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 144 N C 0.643 175.993 175.510 -0.267 0.000 1.134 144 N CA 1.040 53.939 53.050 -0.251 0.000 0.878 144 N CB 1.000 39.351 38.487 -0.226 0.000 0.972 144 N HN 0.408 nan 8.380 nan 0.000 0.456 145 G N 0.694 109.291 108.800 -0.339 0.000 2.141 145 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.231 145 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.231 145 G C 1.019 175.767 174.900 -0.253 0.000 0.984 145 G CA 0.332 45.273 45.100 -0.266 0.000 0.660 145 G HN 0.247 nan 8.290 nan 0.000 0.525 146 K N -0.556 119.588 120.400 -0.426 0.000 2.365 146 K HA 0.309 4.629 4.320 -0.000 0.000 0.199 146 K C 1.426 177.917 176.600 -0.182 0.000 1.045 146 K CA 0.965 57.008 56.287 -0.407 0.000 0.962 146 K CB -0.188 31.939 32.500 -0.622 0.000 0.759 146 K HN 0.449 nan 8.250 nan 0.000 0.469 147 F N 0.103 119.984 119.950 -0.115 0.000 2.704 147 F HA 0.172 4.699 4.527 -0.000 0.000 0.304 147 F C 1.072 176.919 175.800 0.079 0.000 1.094 147 F CA -0.580 57.379 58.000 -0.069 0.000 1.275 147 F CB -0.078 38.878 39.000 -0.073 0.000 1.073 147 F HN -0.056 nan 8.300 nan 0.000 0.586 148 D N 0.633 121.142 120.400 0.181 0.000 2.133 148 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 148 D C 1.714 178.107 176.300 0.156 0.000 0.997 148 D CA 1.238 55.327 54.000 0.147 0.000 0.840 148 D CB -0.125 40.700 40.800 0.042 0.000 0.947 148 D HN 0.185 nan 8.370 nan 0.000 0.452 149 N N 1.069 119.845 118.700 0.126 0.000 2.084 149 N HA -0.111 4.629 4.740 -0.000 0.000 0.190 149 N C 1.184 176.795 175.510 0.168 0.000 1.030 149 N CA 0.886 54.005 53.050 0.115 0.000 0.849 149 N CB -0.244 38.288 38.487 0.076 0.000 1.012 149 N HN 0.222 nan 8.380 nan 0.000 0.423 150 D N -0.198 120.336 120.400 0.223 0.000 2.312 150 D HA -0.044 4.596 4.640 -0.000 0.000 0.211 150 D C 1.358 177.965 176.300 0.511 0.000 0.964 150 D CA 0.483 54.680 54.000 0.330 0.000 0.877 150 D CB 0.058 40.979 40.800 0.201 0.000 0.924 150 D HN 0.388 nan 8.370 nan 0.000 0.515 151 M N 0.335 120.199 119.600 0.441 0.000 2.556 151 M HA 0.108 4.588 4.480 -0.000 0.000 0.245 151 M C 0.490 176.907 176.300 0.195 0.000 1.128 151 M CA 0.123 55.652 55.300 0.382 0.000 1.069 151 M CB 0.543 33.387 32.600 0.407 0.000 1.469 151 M HN -0.174 nan 8.290 nan 0.000 0.494 152 I N 1.402 122.072 120.570 0.167 0.000 2.505 152 I HA -0.062 4.108 4.170 -0.000 0.000 0.287 152 I C 1.177 177.340 176.117 0.077 0.000 1.104 152 I CA -0.343 61.019 61.300 0.104 0.000 1.387 152 I CB 0.656 38.709 38.000 0.090 0.000 1.404 152 I HN 0.131 nan 8.210 nan 0.000 0.528 153 I N 4.201 124.800 120.570 0.047 0.000 2.494 153 I HA 0.057 4.227 4.170 -0.000 0.000 0.250 153 I C 0.681 176.814 176.117 0.027 0.000 1.112 153 I CA 1.199 62.514 61.300 0.025 0.000 1.438 153 I CB -1.153 36.848 38.000 0.001 0.000 1.111 153 I HN 0.728 nan 8.210 nan 0.000 0.431 154 D N 0.261 120.677 120.400 0.028 0.000 2.871 154 D HA -0.047 4.593 4.640 -0.000 0.000 0.330 154 D C -0.598 175.716 176.300 0.024 0.000 1.364 154 D CA -0.740 53.276 54.000 0.026 0.000 0.759 154 D CB 0.424 41.236 40.800 0.020 0.000 1.325 154 D HN 0.038 nan 8.370 nan 0.000 0.452 155 K N 0.934 121.346 120.400 0.021 0.000 2.325 155 K HA -0.148 4.172 4.320 -0.000 0.000 0.258 155 K C -0.270 176.341 176.600 0.018 0.000 1.250 155 K CA 1.066 57.364 56.287 0.019 0.000 1.260 155 K CB -0.811 31.698 32.500 0.015 0.000 0.785 155 K HN 0.490 nan 8.250 nan 0.000 0.501 156 D N 1.750 122.162 120.400 0.021 0.000 2.723 156 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 156 D C -1.002 175.310 176.300 0.020 0.000 1.138 156 D CA 1.739 55.751 54.000 0.020 0.000 0.676 156 D CB -0.387 40.423 40.800 0.017 0.000 1.069 156 D HN 0.863 nan 8.370 nan 0.000 0.430 157 K N -0.635 119.779 120.400 0.023 0.000 2.550 157 K HA 0.519 4.838 4.320 -0.000 0.000 0.252 157 K C -0.417 176.202 176.600 0.030 0.000 0.943 157 K CA -1.089 55.211 56.287 0.022 0.000 0.806 157 K CB 2.018 34.525 32.500 0.013 0.000 1.289 157 K HN 0.031 nan 8.250 nan 0.000 0.435 158 K N 2.366 122.789 120.400 0.038 0.000 2.380 158 K HA 0.463 4.783 4.320 -0.000 0.000 0.243 158 K C -0.562 176.061 176.600 0.040 0.000 1.071 158 K CA -1.122 55.199 56.287 0.057 0.000 0.942 158 K CB 1.283 33.833 32.500 0.084 0.000 1.324 158 K HN 0.593 nan 8.250 nan 0.000 0.517 159 M N 2.379 122.013 119.600 0.056 0.000 2.188 159 M HA 0.070 4.550 4.480 -0.000 0.000 0.354 159 M C -0.376 175.936 176.300 0.020 0.000 1.342 159 M CA -0.266 55.037 55.300 0.004 0.000 1.117 159 M CB 0.487 33.077 32.600 -0.018 0.000 1.670 159 M HN 0.582 nan 8.290 nan 0.000 0.466 160 N N 6.070 124.749 118.700 -0.035 0.000 2.719 160 N HA 0.250 4.990 4.740 -0.000 0.000 0.243 160 N C -1.307 174.149 175.510 -0.089 0.000 1.104 160 N CA -0.075 52.953 53.050 -0.036 0.000 0.981 160 N CB -0.115 38.343 38.487 -0.049 0.000 1.290 160 N HN 0.577 nan 8.380 nan 0.000 0.513 161 I N 4.382 124.927 120.570 -0.041 0.000 2.294 161 I HA 0.041 4.211 4.170 -0.000 0.000 0.295 161 I C 1.764 177.832 176.117 -0.082 0.000 1.098 161 I CA -0.325 60.912 61.300 -0.106 0.000 1.277 161 I CB 1.078 39.073 38.000 -0.009 0.000 1.434 161 I HN 0.347 nan 8.210 nan 0.000 0.498 162 L N 4.160 125.281 121.223 -0.171 0.000 2.046 162 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 162 L C 0.417 177.214 176.870 -0.123 0.000 1.077 162 L CA 1.888 56.603 54.840 -0.209 0.000 0.747 162 L CB 0.115 41.931 42.059 -0.405 0.000 0.896 162 L HN 0.734 nan 8.230 nan 0.000 0.432 163 D N -2.319 118.042 120.400 -0.066 0.000 2.755 163 D HA 0.354 4.994 4.640 -0.000 0.000 0.277 163 D C -1.341 175.050 176.300 0.151 0.000 1.261 163 D CA -0.415 53.644 54.000 0.097 0.000 0.759 163 D CB 1.384 42.306 40.800 0.204 0.000 1.279 163 D HN -0.125 nan 8.370 nan 0.000 0.420 164 M N 1.775 121.530 119.600 0.258 0.000 2.224 164 M HA 0.455 4.935 4.480 -0.000 0.000 0.281 164 M C -1.299 175.260 176.300 0.431 0.000 1.025 164 M CA -0.416 55.099 55.300 0.359 0.000 0.954 164 M CB 2.089 34.905 32.600 0.361 0.000 1.639 164 M HN 0.177 nan 8.290 nan 0.000 0.461 165 L N 4.696 126.167 121.223 0.413 0.000 2.381 165 L HA 0.712 5.052 4.340 -0.000 0.000 0.268 165 L C -2.265 174.759 176.870 0.256 0.000 0.997 165 L CA -1.958 53.064 54.840 0.303 0.000 0.818 165 L CB 2.371 44.600 42.059 0.283 0.000 1.310 165 L HN 0.361 nan 8.230 nan 0.000 0.416 166 P HA 0.110 nan 4.420 nan 0.000 0.271 166 P C -1.229 176.260 177.300 0.315 0.000 1.216 166 P CA 0.178 63.251 63.100 -0.045 0.000 0.776 166 P CB 0.647 32.118 31.700 -0.383 0.000 0.881 167 F N 2.210 122.287 119.950 0.211 0.000 2.605 167 F HA 0.351 4.878 4.527 -0.000 0.000 0.320 167 F C -1.856 174.156 175.800 0.353 0.000 1.159 167 F CA -0.662 57.537 58.000 0.331 0.000 0.999 167 F CB 1.856 41.092 39.000 0.393 0.000 1.258 167 F HN 0.115 nan 8.300 nan 0.000 0.464 168 D N 4.766 125.115 120.400 -0.084 0.000 2.505 168 D HA 0.420 5.059 4.640 -0.000 0.000 0.250 168 D C 0.357 176.549 176.300 -0.181 0.000 1.164 168 D CA -0.029 54.046 54.000 0.125 0.000 0.870 168 D CB 2.202 43.322 40.800 0.532 0.000 1.160 168 D HN 0.754 nan 8.370 nan 0.000 0.549 169 A N 2.669 125.411 122.820 -0.130 0.000 2.248 169 A HA -0.047 4.273 4.320 -0.000 0.000 0.210 169 A C 1.767 179.335 177.584 -0.027 0.000 1.174 169 A CA 0.856 52.857 52.037 -0.060 0.000 0.750 169 A CB -0.003 19.089 19.000 0.154 0.000 0.780 169 A HN 0.473 nan 8.150 nan 0.000 0.478 170 S N -0.892 114.720 115.700 -0.146 0.000 2.446 170 S HA 0.201 4.671 4.470 -0.000 0.000 0.225 170 S C -0.133 174.201 174.600 -0.443 0.000 1.016 170 S CA 0.293 58.259 58.200 -0.390 0.000 0.943 170 S CB -0.117 62.624 63.200 -0.766 0.000 0.786 170 S HN 0.466 nan 8.310 nan 0.000 0.508 171 F N 1.974 121.978 119.950 0.089 0.000 2.449 171 F HA 0.439 4.966 4.527 -0.000 0.000 0.342 171 F C 0.614 176.432 175.800 0.029 0.000 1.127 171 F CA -1.616 56.423 58.000 0.064 0.000 0.975 171 F CB 1.153 40.191 39.000 0.064 0.000 1.146 171 F HN -0.145 nan 8.300 nan 0.000 0.444 172 D N 0.485 121.032 120.400 0.244 0.000 2.120 172 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 172 D C 1.122 177.376 176.300 -0.076 0.000 0.972 172 D CA 1.468 55.569 54.000 0.168 0.000 0.837 172 D CB 0.132 41.139 40.800 0.344 0.000 0.989 172 D HN 0.576 nan 8.370 nan 0.000 0.469 173 T N -3.676 110.862 114.554 -0.026 0.000 2.804 173 T HA 0.659 5.009 4.350 -0.000 0.000 0.290 173 T C 1.125 175.758 174.700 -0.112 0.000 1.099 173 T CA -0.236 61.783 62.100 -0.135 0.000 1.011 173 T CB 1.807 70.614 68.868 -0.102 0.000 1.291 173 T HN -0.088 nan 8.240 nan 0.000 0.523 174 A N 1.308 124.036 122.820 -0.154 0.000 1.873 174 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 174 A C 2.061 179.561 177.584 -0.139 0.000 1.193 174 A CA 2.057 53.987 52.037 -0.177 0.000 0.629 174 A CB -1.560 17.347 19.000 -0.155 0.000 0.826 174 A HN 0.905 nan 8.150 nan 0.000 0.447 175 N N 0.225 118.878 118.700 -0.078 0.000 2.258 175 N HA -0.162 4.578 4.740 -0.000 0.000 0.187 175 N C 0.486 175.981 175.510 -0.025 0.000 1.012 175 N CA 1.405 54.429 53.050 -0.045 0.000 0.870 175 N CB -0.409 38.072 38.487 -0.009 0.000 0.977 175 N HN 0.492 nan 8.380 nan 0.000 0.434 176 D N 1.212 121.614 120.400 0.005 0.000 2.317 176 D HA 0.066 4.706 4.640 -0.000 0.000 0.211 176 D C 0.784 177.113 176.300 0.049 0.000 0.966 176 D CA 0.281 54.355 54.000 0.124 0.000 0.876 176 D CB 0.209 41.177 40.800 0.281 0.000 0.927 176 D HN 0.328 nan 8.370 nan 0.000 0.519 177 I N 2.525 122.914 120.570 -0.301 0.000 2.517 177 I HA -0.012 4.158 4.170 -0.000 0.000 0.285 177 I C 0.314 176.273 176.117 -0.263 0.000 1.106 177 I CA -0.452 60.466 61.300 -0.636 0.000 1.402 177 I CB 0.347 37.988 38.000 -0.598 0.000 1.399 177 I HN -0.126 nan 8.210 nan 0.000 0.535 178 D N 3.397 123.697 120.400 -0.168 0.000 2.225 178 D HA 0.209 4.849 4.640 -0.000 0.000 0.249 178 D C 0.727 176.985 176.300 -0.070 0.000 1.052 178 D CA -0.633 53.341 54.000 -0.044 0.000 0.909 178 D CB 1.143 41.975 40.800 0.055 0.000 1.186 178 D HN 0.476 nan 8.370 nan 0.000 0.431 179 E N 0.749 120.923 120.200 -0.042 0.000 2.113 179 E HA -0.341 4.009 4.350 -0.000 0.000 0.210 179 E C 1.521 178.098 176.600 -0.038 0.000 1.040 179 E CA 1.857 58.235 56.400 -0.037 0.000 0.847 179 E CB -0.329 29.359 29.700 -0.020 0.000 0.755 179 E HN 0.743 nan 8.360 nan 0.000 0.459 180 E N -0.389 119.793 120.200 -0.029 0.000 2.160 180 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 180 E C 1.949 178.513 176.600 -0.060 0.000 0.991 180 E CA 1.802 58.185 56.400 -0.028 0.000 0.810 180 E CB -0.024 29.669 29.700 -0.012 0.000 0.742 180 E HN 0.540 nan 8.360 nan 0.000 0.466 181 T N -2.364 112.121 114.554 -0.115 0.000 3.051 181 T HA 0.059 4.409 4.350 -0.000 0.000 0.255 181 T C 1.626 176.240 174.700 -0.144 0.000 1.085 181 T CA 0.313 62.264 62.100 -0.249 0.000 1.109 181 T CB 0.067 68.623 68.868 -0.520 0.000 0.921 181 T HN -0.013 nan 8.240 nan 0.000 0.488 182 K N 1.442 121.788 120.400 -0.089 0.000 2.026 182 K HA -0.038 4.282 4.320 -0.000 0.000 0.208 182 K C 2.455 179.060 176.600 0.009 0.000 1.048 182 K CA 1.561 57.835 56.287 -0.021 0.000 0.929 182 K CB -0.193 32.281 32.500 -0.043 0.000 0.713 182 K HN 0.272 nan 8.250 nan 0.000 0.439 183 N N 1.277 119.973 118.700 -0.008 0.000 2.007 183 N HA -0.190 4.550 4.740 -0.000 0.000 0.197 183 N C 0.546 176.069 175.510 0.022 0.000 1.050 183 N CA 0.664 53.717 53.050 0.005 0.000 0.856 183 N CB -0.915 37.570 38.487 -0.003 0.000 1.050 183 N HN 0.227 nan 8.380 nan 0.000 0.423 184 N N 2.469 121.178 118.700 0.016 0.000 2.030 184 N HA -0.163 4.577 4.740 -0.000 0.000 0.292 184 N C 1.130 176.687 175.510 0.079 0.000 1.315 184 N CA 0.404 53.481 53.050 0.045 0.000 0.810 184 N CB 0.530 39.039 38.487 0.037 0.000 1.048 184 N HN 0.263 nan 8.380 nan 0.000 0.492 185 K N 4.640 125.070 120.400 0.050 0.000 2.032 185 K HA -0.239 4.081 4.320 -0.000 0.000 0.218 185 K C 1.556 178.171 176.600 0.025 0.000 1.054 185 K CA 1.565 57.872 56.287 0.033 0.000 0.941 185 K CB 0.030 32.541 32.500 0.018 0.000 0.720 185 K HN 0.572 nan 8.250 nan 0.000 0.449 186 R N -0.857 119.650 120.500 0.011 0.000 2.120 186 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 186 R C 2.289 178.489 176.300 -0.165 0.000 1.123 186 R CA 1.504 57.552 56.100 -0.086 0.000 0.975 186 R CB -0.508 29.691 30.300 -0.168 0.000 0.866 186 R HN 0.406 nan 8.270 nan 0.000 0.446 187 Y N 1.040 121.249 120.300 -0.151 0.000 2.365 187 Y HA -0.003 4.547 4.550 -0.000 0.000 0.293 187 Y C 2.359 178.216 175.900 -0.073 0.000 1.119 187 Y CA 0.694 58.677 58.100 -0.194 0.000 1.203 187 Y CB -0.263 38.094 38.460 -0.172 0.000 1.026 187 Y HN 0.139 nan 8.280 nan 0.000 0.549 188 N N 0.031 118.800 118.700 0.115 0.000 2.244 188 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 188 N C 1.260 176.810 175.510 0.067 0.000 1.016 188 N CA 0.925 54.030 53.050 0.091 0.000 0.866 188 N CB 0.008 38.531 38.487 0.060 0.000 0.980 188 N HN 0.219 nan 8.380 nan 0.000 0.430 189 M N 1.217 120.840 119.600 0.039 0.000 2.633 189 M HA 0.238 4.718 4.480 -0.000 0.000 0.226 189 M C -0.321 176.001 176.300 0.036 0.000 1.137 189 M CA 0.282 55.603 55.300 0.035 0.000 1.020 189 M CB -0.501 32.118 32.600 0.032 0.000 1.675 189 M HN 0.087 nan 8.290 nan 0.000 0.500 190 L N 0.230 121.484 121.223 0.051 0.000 2.359 190 L HA 0.508 4.848 4.340 -0.000 0.000 0.256 190 L C -0.271 176.736 176.870 0.229 0.000 1.026 190 L CA -0.831 54.049 54.840 0.066 0.000 0.828 190 L CB 2.218 44.225 42.059 -0.087 0.000 1.406 190 L HN 0.079 nan 8.230 nan 0.000 0.413 191 Q N 0.434 120.353 119.800 0.199 0.000 2.590 191 Q HA 0.354 4.694 4.340 -0.000 0.000 0.295 191 Q C -1.202 174.780 176.000 -0.031 0.000 0.973 191 Q CA -0.875 54.962 55.803 0.057 0.000 0.768 191 Q CB 1.513 30.241 28.738 -0.017 0.000 1.479 191 Q HN 0.635 nan 8.270 nan 0.000 0.419 192 N N 0.415 118.968 118.700 -0.245 0.000 2.705 192 N HA -0.223 4.517 4.740 -0.000 0.000 0.255 192 N C -0.473 174.983 175.510 -0.091 0.000 1.008 192 N CA 1.513 54.444 53.050 -0.198 0.000 0.742 192 N CB -1.870 36.560 38.487 -0.096 0.000 0.906 192 N HN 0.765 nan 8.380 nan 0.000 0.541 193 Y N -2.745 117.547 120.300 -0.013 0.000 2.612 193 Y HA 0.302 4.852 4.550 -0.000 0.000 0.250 193 Y C 1.078 176.988 175.900 0.018 0.000 1.175 193 Y CA -0.368 57.749 58.100 0.028 0.000 1.205 193 Y CB -0.137 38.329 38.460 0.010 0.000 1.201 193 Y HN 0.101 nan 8.280 nan 0.000 0.532 194 T N -2.203 112.305 114.554 -0.077 0.000 2.849 194 T HA 0.303 4.653 4.350 -0.000 0.000 0.284 194 T C 1.218 175.891 174.700 -0.045 0.000 1.004 194 T CA -0.490 61.595 62.100 -0.025 0.000 1.021 194 T CB 1.340 70.153 68.868 -0.090 0.000 1.013 194 T HN 0.295 nan 8.240 nan 0.000 0.527 195 I N 0.508 121.047 120.570 -0.052 0.000 2.091 195 I HA -0.182 3.988 4.170 -0.000 0.000 0.239 195 I C 2.920 179.071 176.117 0.057 0.000 1.061 195 I CA 1.917 63.303 61.300 0.144 0.000 1.317 195 I CB -0.421 37.742 38.000 0.272 0.000 1.031 195 I HN 0.866 nan 8.210 nan 0.000 0.401 196 E N 0.570 120.558 120.200 -0.353 0.000 2.204 196 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 196 E C 1.453 177.881 176.600 -0.286 0.000 0.990 196 E CA 1.192 57.249 56.400 -0.572 0.000 0.821 196 E CB 0.067 29.135 29.700 -1.053 0.000 0.750 196 E HN 0.463 nan 8.360 nan 0.000 0.477 197 D N -0.216 120.069 120.400 -0.190 0.000 2.162 197 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 197 D C 2.077 178.333 176.300 -0.074 0.000 0.967 197 D CA 1.293 55.209 54.000 -0.140 0.000 0.840 197 D CB 0.105 40.808 40.800 -0.162 0.000 0.972 197 D HN 0.267 nan 8.370 nan 0.000 0.482 198 V N -0.667 119.264 119.914 0.029 0.000 2.719 198 V HA 0.076 4.196 4.120 -0.000 0.000 0.252 198 V C 2.268 178.294 176.094 -0.112 0.000 1.065 198 V CA 1.329 63.674 62.300 0.076 0.000 1.086 198 V CB -0.663 31.358 31.823 0.331 0.000 0.700 198 V HN 0.060 nan 8.190 nan 0.000 0.467 199 A N 1.759 124.395 122.820 -0.306 0.000 1.865 199 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 199 A C 2.054 179.393 177.584 -0.409 0.000 1.191 199 A CA 2.520 54.055 52.037 -0.836 0.000 0.623 199 A CB -1.214 17.209 19.000 -0.963 0.000 0.826 199 A HN 0.729 nan 8.150 nan 0.000 0.444 200 N N -0.364 118.193 118.700 -0.238 0.000 2.166 200 N HA -0.069 4.671 4.740 -0.000 0.000 0.186 200 N C 1.738 177.211 175.510 -0.062 0.000 1.019 200 N CA 1.034 54.019 53.050 -0.109 0.000 0.856 200 N CB -0.240 38.191 38.487 -0.095 0.000 0.993 200 N HN 0.426 nan 8.380 nan 0.000 0.426 201 L N 1.283 122.455 121.223 -0.085 0.000 1.943 201 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 201 L C 2.226 179.055 176.870 -0.069 0.000 1.074 201 L CA 1.237 56.035 54.840 -0.069 0.000 0.759 201 L CB -0.435 41.603 42.059 -0.036 0.000 0.888 201 L HN 0.190 nan 8.230 nan 0.000 0.433 202 I N -0.709 119.848 120.570 -0.021 0.000 2.103 202 I HA -0.486 3.684 4.170 -0.000 0.000 0.241 202 I C 2.564 178.719 176.117 0.063 0.000 1.036 202 I CA 2.130 63.482 61.300 0.088 0.000 1.300 202 I CB -0.592 37.429 38.000 0.035 0.000 1.010 202 I HN 0.453 nan 8.210 nan 0.000 0.406 203 H N 0.351 119.368 119.070 -0.088 0.000 2.456 203 H HA -0.182 4.374 4.556 -0.000 0.000 0.296 203 H C 2.173 177.444 175.328 -0.095 0.000 1.079 203 H CA 1.733 57.733 56.048 -0.080 0.000 1.322 203 H CB -0.013 29.676 29.762 -0.122 0.000 1.388 203 H HN 0.357 nan 8.280 nan 0.000 0.538 204 Q N 0.105 119.773 119.800 -0.221 0.000 2.123 204 Q HA -0.099 4.241 4.340 -0.000 0.000 0.199 204 Q C 1.527 177.333 176.000 -0.322 0.000 0.966 204 Q CA 1.304 56.944 55.803 -0.273 0.000 0.845 204 Q CB 0.219 28.858 28.738 -0.165 0.000 0.907 204 Q HN 0.505 nan 8.270 nan 0.000 0.439 205 K N -1.264 118.889 120.400 -0.412 0.000 2.202 205 K HA -0.014 4.306 4.320 -0.000 0.000 0.201 205 K C 0.660 176.885 176.600 -0.625 0.000 1.051 205 K CA 0.704 56.601 56.287 -0.651 0.000 0.977 205 K CB 0.486 32.291 32.500 -1.158 0.000 0.792 205 K HN 0.185 nan 8.250 nan 0.000 0.469 206 Y N -0.418 119.836 120.300 -0.077 0.000 2.563 206 Y HA 0.300 4.850 4.550 -0.000 0.000 0.250 206 Y C 0.937 176.805 175.900 -0.054 0.000 1.126 206 Y CA -0.194 57.877 58.100 -0.048 0.000 1.231 206 Y CB 0.937 39.388 38.460 -0.015 0.000 1.288 206 Y HN 0.177 nan 8.280 nan 0.000 0.537 207 G N 1.274 110.058 108.800 -0.027 0.000 2.512 207 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.240 207 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.240 207 G C -0.427 174.574 174.900 0.170 0.000 1.246 207 G CA -0.659 44.420 45.100 -0.034 0.000 0.919 207 G HN 0.159 nan 8.290 nan 0.000 0.577 208 K N 0.674 121.178 120.400 0.173 0.000 2.270 208 K HA 0.549 4.869 4.320 -0.000 0.000 0.276 208 K C 0.931 177.604 176.600 0.122 0.000 1.023 208 K CA 0.282 56.668 56.287 0.166 0.000 0.955 208 K CB 0.914 33.482 32.500 0.114 0.000 0.975 208 K HN 0.672 nan 8.250 nan 0.000 0.471 209 I N -0.825 119.818 120.570 0.122 0.000 3.205 209 I HA 0.419 4.589 4.170 -0.000 0.000 0.310 209 I C 0.193 176.358 176.117 0.081 0.000 1.089 209 I CA -0.818 60.545 61.300 0.106 0.000 1.023 209 I CB 1.592 39.681 38.000 0.148 0.000 1.269 209 I HN 0.630 nan 8.210 nan 0.000 0.512 210 N N 0.730 119.465 118.700 0.059 0.000 2.081 210 N HA 0.325 5.065 4.740 -0.000 0.000 0.230 210 N C -0.888 174.633 175.510 0.018 0.000 1.351 210 N CA -0.322 52.750 53.050 0.036 0.000 0.840 210 N CB 0.459 38.959 38.487 0.022 0.000 1.189 210 N HN 0.672 nan 8.380 nan 0.000 0.503 211 M N 0.956 120.569 119.600 0.022 0.000 2.324 211 M HA 0.441 4.921 4.480 -0.000 0.000 0.288 211 M C -2.021 174.279 176.300 0.000 0.000 1.097 211 M CA -0.807 54.488 55.300 -0.008 0.000 0.928 211 M CB 2.939 35.520 32.600 -0.033 0.000 1.648 211 M HN 0.057 nan 8.290 nan 0.000 0.460 212 L N 3.676 124.882 121.223 -0.028 0.000 2.401 212 L HA 0.879 5.219 4.340 -0.000 0.000 0.266 212 L C -1.676 175.127 176.870 -0.112 0.000 0.991 212 L CA -0.606 54.197 54.840 -0.062 0.000 0.818 212 L CB 2.358 44.389 42.059 -0.048 0.000 1.321 212 L HN 0.528 nan 8.230 nan 0.000 0.413 213 V N 4.216 124.014 119.914 -0.193 0.000 2.525 213 V HA 0.371 4.491 4.120 -0.000 0.000 0.299 213 V C -0.953 175.012 176.094 -0.214 0.000 1.034 213 V CA -0.616 61.577 62.300 -0.177 0.000 0.863 213 V CB 1.447 33.159 31.823 -0.185 0.000 0.999 213 V HN 0.787 nan 8.190 nan 0.000 0.423 214 H N 3.727 122.677 119.070 -0.201 0.000 2.641 214 H HA 0.456 5.012 4.556 -0.000 0.000 0.295 214 H C -0.420 174.831 175.328 -0.128 0.000 1.070 214 H CA 0.036 55.980 56.048 -0.173 0.000 1.257 214 H CB 1.634 31.332 29.762 -0.108 0.000 1.393 214 H HN 0.612 nan 8.280 nan 0.000 0.464 215 S N 7.004 122.539 115.700 -0.276 0.000 2.327 215 S HA 0.327 4.797 4.470 -0.000 0.000 0.203 215 S C -1.148 173.335 174.600 -0.196 0.000 1.326 215 S CA -0.715 57.400 58.200 -0.140 0.000 1.248 215 S CB -1.064 62.082 63.200 -0.090 0.000 1.199 215 S HN 0.617 nan 8.310 nan 0.000 0.422 216 L N -0.161 120.883 121.223 -0.298 0.000 2.424 216 L HA 1.111 5.451 4.340 -0.000 0.000 0.258 216 L C -0.902 175.907 176.870 -0.102 0.000 0.995 216 L CA -0.865 53.832 54.840 -0.238 0.000 0.821 216 L CB 1.503 43.375 42.059 -0.312 0.000 1.383 216 L HN 0.144 nan 8.230 nan 0.000 0.410 217 A N 1.768 124.529 122.820 -0.098 0.000 2.594 217 A HA 0.849 5.169 4.320 -0.000 0.000 0.295 217 A C -1.608 175.885 177.584 -0.151 0.000 1.071 217 A CA -0.508 51.489 52.037 -0.065 0.000 0.685 217 A CB 1.716 20.706 19.000 -0.016 0.000 1.285 217 A HN 0.920 nan 8.150 nan 0.000 0.405 218 N N -0.692 117.924 118.700 -0.140 0.000 2.324 218 N HA 0.635 5.375 4.740 -0.000 0.000 0.285 218 N C -1.113 174.318 175.510 -0.132 0.000 1.076 218 N CA 0.057 53.001 53.050 -0.176 0.000 0.864 218 N CB 2.009 40.352 38.487 -0.239 0.000 1.632 218 N HN 1.152 nan 8.380 nan 0.000 0.478 219 A N 2.664 125.407 122.820 -0.128 0.000 2.855 219 A HA 0.266 4.586 4.320 -0.000 0.000 0.313 219 A C 0.663 178.202 177.584 -0.076 0.000 1.173 219 A CA -0.523 51.447 52.037 -0.111 0.000 0.753 219 A CB 0.424 19.333 19.000 -0.152 0.000 1.200 219 A HN 0.811 nan 8.150 nan 0.000 0.442 220 K N 0.668 121.038 120.400 -0.048 0.000 2.163 220 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 220 K C 0.610 177.205 176.600 -0.009 0.000 1.048 220 K CA 2.206 58.483 56.287 -0.016 0.000 0.928 220 K CB 0.140 32.643 32.500 0.005 0.000 0.716 220 K HN 0.783 nan 8.250 nan 0.000 0.459 221 E N 0.305 120.498 120.200 -0.011 0.000 2.585 221 E HA 0.012 4.362 4.350 -0.000 0.000 0.206 221 E C 0.991 177.585 176.600 -0.009 0.000 1.007 221 E CA -0.208 56.193 56.400 0.002 0.000 1.028 221 E CB 0.729 30.442 29.700 0.022 0.000 1.087 221 E HN 0.026 nan 8.360 nan 0.000 0.455 222 V N 0.819 120.710 119.914 -0.039 0.000 2.363 222 V HA -0.402 3.718 4.120 -0.000 0.000 0.254 222 V C 2.189 178.284 176.094 0.003 0.000 1.074 222 V CA 2.322 64.587 62.300 -0.059 0.000 1.069 222 V CB -0.058 31.708 31.823 -0.096 0.000 0.659 222 V HN 0.329 nan 8.190 nan 0.000 0.455 223 Q N 0.109 119.924 119.800 0.024 0.000 2.135 223 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 223 Q C 1.253 177.294 176.000 0.069 0.000 0.981 223 Q CA 1.485 57.323 55.803 0.058 0.000 0.856 223 Q CB -0.042 28.717 28.738 0.036 0.000 0.902 223 Q HN 0.634 nan 8.270 nan 0.000 0.425 224 K N 1.374 121.801 120.400 0.046 0.000 2.118 224 K HA 0.113 4.433 4.320 -0.000 0.000 0.240 224 K C -0.316 176.312 176.600 0.047 0.000 1.035 224 K CA -0.018 56.296 56.287 0.046 0.000 0.899 224 K CB 0.378 32.900 32.500 0.037 0.000 1.085 224 K HN 0.176 nan 8.250 nan 0.000 0.498 225 D N -0.940 119.486 120.400 0.043 0.000 2.272 225 D HA 0.100 4.739 4.640 -0.000 0.000 0.247 225 D C 1.110 177.435 176.300 0.041 0.000 0.990 225 D CA -0.723 53.300 54.000 0.038 0.000 0.931 225 D CB 0.805 41.622 40.800 0.029 0.000 1.195 225 D HN 0.298 nan 8.370 nan 0.000 0.477 226 L N 0.211 121.464 121.223 0.049 0.000 2.021 226 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 226 L C 2.213 179.110 176.870 0.045 0.000 1.074 226 L CA 1.324 56.207 54.840 0.072 0.000 0.760 226 L CB -0.304 41.803 42.059 0.080 0.000 0.889 226 L HN 0.584 nan 8.230 nan 0.000 0.433 227 L N -0.314 120.923 121.223 0.024 0.000 2.079 227 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 227 L C 1.428 178.301 176.870 0.006 0.000 1.081 227 L CA 1.910 56.754 54.840 0.006 0.000 0.752 227 L CB -0.334 41.727 42.059 0.004 0.000 0.896 227 L HN 0.453 nan 8.230 nan 0.000 0.433 228 N N -1.572 117.138 118.700 0.017 0.000 2.322 228 N HA 0.001 4.741 4.740 -0.000 0.000 0.194 228 N C -0.167 175.357 175.510 0.025 0.000 1.126 228 N CA -0.097 52.964 53.050 0.017 0.000 0.845 228 N CB 0.368 38.867 38.487 0.020 0.000 0.976 228 N HN 0.144 nan 8.380 nan 0.000 0.475 229 T N 0.402 114.977 114.554 0.036 0.000 2.869 229 T HA 0.215 4.565 4.350 -0.000 0.000 0.295 229 T C 0.647 175.372 174.700 0.042 0.000 0.987 229 T CA -0.634 61.501 62.100 0.058 0.000 1.109 229 T CB 1.111 70.046 68.868 0.113 0.000 0.932 229 T HN 0.155 nan 8.240 nan 0.000 0.518 230 S N 2.711 118.440 115.700 0.048 0.000 2.632 230 S HA 0.317 4.787 4.470 -0.000 0.000 0.271 230 S C 1.345 175.976 174.600 0.052 0.000 1.260 230 S CA -0.974 57.245 58.200 0.031 0.000 1.010 230 S CB 1.232 64.450 63.200 0.030 0.000 0.965 230 S HN 0.772 nan 8.310 nan 0.000 0.534 231 R N 0.924 121.434 120.500 0.017 0.000 2.083 231 R HA -0.110 4.230 4.340 -0.000 0.000 0.237 231 R C 2.173 178.521 176.300 0.079 0.000 1.137 231 R CA 1.420 57.535 56.100 0.025 0.000 0.951 231 R CB -0.308 29.987 30.300 -0.008 0.000 0.851 231 R HN 0.714 nan 8.270 nan 0.000 0.434 232 K N -0.245 120.187 120.400 0.054 0.000 2.057 232 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 232 K C 1.885 178.523 176.600 0.063 0.000 1.049 232 K CA 1.750 58.066 56.287 0.050 0.000 0.931 232 K CB -0.463 32.057 32.500 0.033 0.000 0.714 232 K HN 0.383 nan 8.250 nan 0.000 0.440 233 G N -0.095 108.748 108.800 0.072 0.000 2.434 233 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.214 233 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.214 233 G C 1.564 176.517 174.900 0.089 0.000 1.202 233 G CA 0.849 45.989 45.100 0.066 0.000 0.788 233 G HN 0.393 nan 8.290 nan 0.000 0.539 234 Y N 1.250 121.543 120.300 -0.011 0.000 2.062 234 Y HA -0.228 4.322 4.550 -0.000 0.000 0.276 234 Y C 2.653 178.548 175.900 -0.009 0.000 1.189 234 Y CA 1.978 60.072 58.100 -0.011 0.000 1.130 234 Y CB -0.287 38.169 38.460 -0.007 0.000 0.959 234 Y HN 0.109 nan 8.280 nan 0.000 0.499 235 L N 0.028 121.372 121.223 0.202 0.000 2.141 235 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 235 L C 2.444 179.314 176.870 -0.001 0.000 1.094 235 L CA 1.570 56.467 54.840 0.094 0.000 0.763 235 L CB -0.787 41.340 42.059 0.113 0.000 0.908 235 L HN 0.420 nan 8.230 nan 0.000 0.437 236 D N 0.855 121.256 120.400 0.001 0.000 2.144 236 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 236 D C 2.014 178.283 176.300 -0.052 0.000 0.984 236 D CA 1.469 55.455 54.000 -0.022 0.000 0.834 236 D CB 0.402 41.196 40.800 -0.010 0.000 0.955 236 D HN 0.297 nan 8.370 nan 0.000 0.465 237 A N 0.706 123.475 122.820 -0.086 0.000 1.898 237 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 237 A C 2.536 180.043 177.584 -0.129 0.000 1.181 237 A CA 0.676 52.636 52.037 -0.128 0.000 0.620 237 A CB -0.734 18.155 19.000 -0.185 0.000 0.819 237 A HN 0.314 nan 8.150 nan 0.000 0.442 238 L N -0.781 120.342 121.223 -0.166 0.000 2.093 238 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 238 L C 2.920 179.793 176.870 0.005 0.000 1.085 238 L CA 1.468 56.244 54.840 -0.106 0.000 0.755 238 L CB -0.244 41.737 42.059 -0.130 0.000 0.904 238 L HN 0.477 nan 8.230 nan 0.000 0.435 239 S N -0.198 115.505 115.700 0.006 0.000 2.343 239 S HA -0.214 4.256 4.470 -0.000 0.000 0.219 239 S C 2.012 176.665 174.600 0.089 0.000 1.033 239 S CA 1.537 59.771 58.200 0.056 0.000 1.014 239 S CB -0.012 63.186 63.200 -0.003 0.000 0.915 239 S HN 0.331 nan 8.310 nan 0.000 0.435 240 K N 0.305 120.720 120.400 0.025 0.000 2.155 240 K HA 0.127 4.447 4.320 -0.000 0.000 0.203 240 K C 2.110 178.754 176.600 0.073 0.000 1.052 240 K CA 1.338 57.641 56.287 0.026 0.000 0.948 240 K CB -0.073 32.400 32.500 -0.045 0.000 0.728 240 K HN 0.259 nan 8.250 nan 0.000 0.448 241 S N -0.312 115.418 115.700 0.050 0.000 2.503 241 S HA 0.093 4.563 4.470 -0.000 0.000 0.215 241 S C 1.490 176.141 174.600 0.085 0.000 1.003 241 S CA 0.169 58.419 58.200 0.083 0.000 0.910 241 S CB 0.544 63.754 63.200 0.016 0.000 0.790 241 S HN 0.113 nan 8.310 nan 0.000 0.514 242 S N -0.303 115.430 115.700 0.055 0.000 2.807 242 S HA 0.215 4.685 4.470 -0.000 0.000 0.247 242 S C 1.344 175.963 174.600 0.032 0.000 1.078 242 S CA -0.289 57.919 58.200 0.013 0.000 0.867 242 S CB -0.432 62.781 63.200 0.021 0.000 0.797 242 S HN 0.502 nan 8.310 nan 0.000 0.515 243 Y N 3.524 123.827 120.300 0.005 0.000 2.337 243 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 243 Y C 2.542 178.481 175.900 0.065 0.000 1.123 243 Y CA 1.304 59.419 58.100 0.026 0.000 1.201 243 Y CB -0.433 38.046 38.460 0.032 0.000 1.011 243 Y HN 0.356 nan 8.280 nan 0.000 0.545 244 S N 0.018 115.782 115.700 0.107 0.000 2.420 244 S HA -0.252 4.218 4.470 -0.000 0.000 0.237 244 S C 1.958 176.620 174.600 0.103 0.000 1.023 244 S CA 1.489 59.778 58.200 0.149 0.000 0.991 244 S CB -1.032 62.352 63.200 0.307 0.000 0.792 244 S HN 0.531 nan 8.310 nan 0.000 0.488 245 L N 1.136 122.290 121.223 -0.115 0.000 2.044 245 L HA 0.223 4.563 4.340 -0.000 0.000 0.205 245 L C 2.244 179.015 176.870 -0.165 0.000 1.075 245 L CA 1.492 56.188 54.840 -0.240 0.000 0.747 245 L CB -0.525 41.226 42.059 -0.513 0.000 0.903 245 L HN 0.348 nan 8.230 nan 0.000 0.435 246 I N -0.872 119.537 120.570 -0.268 0.000 2.226 246 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 246 I C 2.687 178.627 176.117 -0.296 0.000 1.100 246 I CA 1.573 62.700 61.300 -0.289 0.000 1.374 246 I CB -0.523 37.256 38.000 -0.368 0.000 1.057 246 I HN 0.375 nan 8.210 nan 0.000 0.413 247 S N 0.739 116.182 115.700 -0.429 0.000 2.383 247 S HA -0.118 4.351 4.470 -0.000 0.000 0.227 247 S C 2.087 176.788 174.600 0.168 0.000 1.026 247 S CA 0.941 59.054 58.200 -0.146 0.000 0.981 247 S CB -0.228 62.942 63.200 -0.050 0.000 0.818 247 S HN 0.350 nan 8.310 nan 0.000 0.472 248 L N 0.876 122.214 121.223 0.192 0.000 1.989 248 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 248 L C 2.569 179.599 176.870 0.268 0.000 1.071 248 L CA 1.876 56.905 54.840 0.314 0.000 0.749 248 L CB -0.844 41.336 42.059 0.202 0.000 0.890 248 L HN 0.483 nan 8.230 nan 0.000 0.431 249 C N -0.355 119.000 119.300 0.091 0.000 2.413 249 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 249 C C 2.834 177.831 174.990 0.012 0.000 1.248 249 C CA 1.259 60.303 59.018 0.044 0.000 1.742 249 C CB -0.771 26.958 27.740 -0.019 0.000 2.017 249 C HN 0.486 nan 8.230 nan 0.000 0.481 250 K N -0.525 119.842 120.400 -0.056 0.000 2.001 250 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 250 K C 1.848 178.324 176.600 -0.206 0.000 1.048 250 K CA 1.674 57.838 56.287 -0.205 0.000 0.932 250 K CB -0.349 31.937 32.500 -0.357 0.000 0.715 250 K HN 0.489 nan 8.250 nan 0.000 0.437 251 Y N -0.571 119.777 120.300 0.081 0.000 2.373 251 Y HA -0.029 4.521 4.550 -0.000 0.000 0.293 251 Y C 1.625 177.475 175.900 -0.083 0.000 1.129 251 Y CA 0.881 58.995 58.100 0.023 0.000 1.226 251 Y CB -0.025 38.480 38.460 0.075 0.000 1.000 251 Y HN 0.041 nan 8.280 nan 0.000 0.549 252 F N -2.484 117.518 119.950 0.087 0.000 2.754 252 F HA 0.004 4.531 4.527 -0.000 0.000 0.297 252 F C 2.144 177.901 175.800 -0.071 0.000 1.122 252 F CA 0.147 58.161 58.000 0.024 0.000 1.400 252 F CB -0.150 38.895 39.000 0.075 0.000 1.117 252 F HN -0.177 nan 8.300 nan 0.000 0.587 253 V N 1.184 121.089 119.914 -0.015 0.000 2.261 253 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 253 V C 1.691 177.639 176.094 -0.244 0.000 1.047 253 V CA 2.670 64.842 62.300 -0.213 0.000 1.015 253 V CB -0.467 31.062 31.823 -0.491 0.000 0.642 253 V HN 0.353 nan 8.190 nan 0.000 0.446 254 N N 1.509 120.069 118.700 -0.233 0.000 2.091 254 N HA -0.216 4.523 4.740 -0.000 0.000 0.193 254 N C 1.482 176.874 175.510 -0.197 0.000 1.021 254 N CA 2.241 55.175 53.050 -0.193 0.000 0.862 254 N CB -0.794 37.585 38.487 -0.179 0.000 1.018 254 N HN 0.780 nan 8.380 nan 0.000 0.429 255 I N -2.794 117.639 120.570 -0.228 0.000 3.686 255 I HA 0.216 4.386 4.170 -0.000 0.000 0.308 255 I C -0.094 176.006 176.117 -0.029 0.000 1.254 255 I CA 0.196 61.370 61.300 -0.209 0.000 1.175 255 I CB -0.289 37.540 38.000 -0.285 0.000 1.009 255 I HN -0.026 nan 8.210 nan 0.000 0.459 256 M N 1.164 120.750 119.600 -0.024 0.000 2.535 256 M HA 0.492 4.972 4.480 -0.000 0.000 0.314 256 M C -0.370 175.939 176.300 0.015 0.000 1.153 256 M CA -0.732 54.583 55.300 0.024 0.000 0.924 256 M CB 2.178 34.800 32.600 0.036 0.000 1.710 256 M HN -0.019 nan 8.290 nan 0.000 0.451 257 K N 1.571 121.990 120.400 0.032 0.000 2.295 257 K HA 0.370 4.690 4.320 -0.000 0.000 0.270 257 K C -2.570 174.051 176.600 0.034 0.000 1.011 257 K CA -1.564 54.743 56.287 0.033 0.000 0.953 257 K CB -0.107 32.412 32.500 0.032 0.000 0.956 257 K HN 0.233 nan 8.250 nan 0.000 0.477 258 P HA -0.034 nan 4.420 nan 0.000 0.269 258 P C -0.592 176.726 177.300 0.029 0.000 1.215 258 P CA 0.234 63.362 63.100 0.048 0.000 0.780 258 P CB 0.408 32.137 31.700 0.049 0.000 0.898 259 Q N -2.478 117.337 119.800 0.025 0.000 2.424 259 Q HA -0.145 4.195 4.340 -0.000 0.000 0.234 259 Q C 0.059 176.059 176.000 -0.000 0.000 0.748 259 Q CA 0.481 56.289 55.803 0.008 0.000 1.286 259 Q CB -2.445 26.295 28.738 0.005 0.000 1.494 259 Q HN 0.409 nan 8.270 nan 0.000 0.683 260 S N -0.026 115.679 115.700 0.007 0.000 2.626 260 S HA 0.489 4.959 4.470 -0.000 0.000 0.257 260 S C 0.120 174.711 174.600 -0.015 0.000 1.288 260 S CA 0.039 58.239 58.200 -0.000 0.000 0.980 260 S CB 1.649 64.856 63.200 0.013 0.000 0.975 260 S HN 0.344 nan 8.310 nan 0.000 0.577 261 S N -0.093 115.592 115.700 -0.024 0.000 2.536 261 S HA 0.670 5.140 4.470 -0.000 0.000 0.271 261 S C -1.507 173.068 174.600 -0.041 0.000 1.134 261 S CA -0.719 57.455 58.200 -0.043 0.000 0.897 261 S CB 0.369 63.524 63.200 -0.074 0.000 1.094 261 S HN 0.516 nan 8.310 nan 0.000 0.473 262 I N 4.993 125.536 120.570 -0.045 0.000 2.545 262 I HA 0.612 4.782 4.170 -0.000 0.000 0.292 262 I C -0.410 175.672 176.117 -0.058 0.000 1.040 262 I CA -0.929 60.343 61.300 -0.047 0.000 1.068 262 I CB 1.914 39.894 38.000 -0.034 0.000 1.251 262 I HN 0.716 nan 8.210 nan 0.000 0.424 263 I N 1.664 122.197 120.570 -0.062 0.000 2.892 263 I HA 0.844 5.014 4.170 -0.000 0.000 0.306 263 I C -0.615 175.478 176.117 -0.041 0.000 1.078 263 I CA -0.408 60.856 61.300 -0.060 0.000 1.032 263 I CB 2.434 40.392 38.000 -0.069 0.000 1.229 263 I HN 0.568 nan 8.210 nan 0.000 0.435 264 S N 3.610 119.284 115.700 -0.044 0.000 2.632 264 S HA 0.812 5.282 4.470 -0.000 0.000 0.289 264 S C -1.031 173.551 174.600 -0.029 0.000 1.115 264 S CA -0.820 57.372 58.200 -0.014 0.000 0.889 264 S CB 2.011 65.153 63.200 -0.095 0.000 1.116 264 S HN 0.536 nan 8.310 nan 0.000 0.486 265 L N 1.366 122.595 121.223 0.010 0.000 2.333 265 L HA 0.735 5.075 4.340 -0.000 0.000 0.280 265 L C 0.402 177.270 176.870 -0.005 0.000 1.004 265 L CA 0.176 54.990 54.840 -0.043 0.000 0.820 265 L CB 1.767 43.791 42.059 -0.059 0.000 1.247 265 L HN 0.978 nan 8.230 nan 0.000 0.416 266 T N 1.833 116.364 114.554 -0.038 0.000 2.768 266 T HA 0.692 5.042 4.350 -0.000 0.000 0.268 266 T C -1.878 172.879 174.700 0.095 0.000 0.969 266 T CA -0.334 61.775 62.100 0.015 0.000 1.008 266 T CB 1.002 69.844 68.868 -0.044 0.000 1.371 266 T HN 0.382 nan 8.240 nan 0.000 0.587 267 Y N -0.204 120.053 120.300 -0.071 0.000 2.480 267 Y HA 0.363 4.913 4.550 -0.000 0.000 0.329 267 Y C 0.323 176.204 175.900 -0.031 0.000 1.127 267 Y CA -0.873 57.175 58.100 -0.087 0.000 1.037 267 Y CB 1.070 39.449 38.460 -0.135 0.000 1.320 267 Y HN 0.866 nan 8.280 nan 0.000 0.446 268 H N 3.763 122.383 119.070 -0.750 0.000 2.557 268 H HA -0.001 4.555 4.556 -0.000 0.000 0.287 268 H C 1.637 176.673 175.328 -0.488 0.000 1.043 268 H CA 1.597 57.386 56.048 -0.431 0.000 1.226 268 H CB 0.084 29.688 29.762 -0.263 0.000 1.361 268 H HN 0.682 nan 8.280 nan 0.000 0.592 269 A N -0.547 121.816 122.820 -0.763 0.000 2.172 269 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 269 A C 2.478 179.954 177.584 -0.179 0.000 1.154 269 A CA 1.318 53.087 52.037 -0.447 0.000 0.701 269 A CB -0.517 18.227 19.000 -0.426 0.000 0.789 269 A HN 0.589 nan 8.150 nan 0.000 0.465 270 S N -1.625 113.985 115.700 -0.150 0.000 2.421 270 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 270 S C 1.843 176.388 174.600 -0.093 0.000 1.035 270 S CA 0.761 58.931 58.200 -0.050 0.000 0.953 270 S CB -0.143 63.054 63.200 -0.004 0.000 0.810 270 S HN 0.458 nan 8.310 nan 0.000 0.497 271 Q N 1.207 120.895 119.800 -0.187 0.000 2.084 271 Q HA 0.351 4.691 4.340 -0.000 0.000 0.194 271 Q C 0.133 175.957 176.000 -0.293 0.000 0.969 271 Q CA 1.079 56.757 55.803 -0.208 0.000 0.829 271 Q CB -0.074 28.572 28.738 -0.152 0.000 0.904 271 Q HN 0.423 nan 8.270 nan 0.000 0.464 272 K N 0.732 120.818 120.400 -0.523 0.000 2.259 272 K HA 0.341 4.660 4.320 -0.000 0.000 0.252 272 K C -0.604 175.836 176.600 -0.267 0.000 0.936 272 K CA -0.775 55.298 56.287 -0.355 0.000 0.810 272 K CB 2.644 34.915 32.500 -0.382 0.000 1.143 272 K HN 0.010 nan 8.250 nan 0.000 0.427 273 V N 2.297 122.124 119.914 -0.145 0.000 2.521 273 V HA 0.187 4.307 4.120 -0.000 0.000 0.286 273 V C -0.296 175.738 176.094 -0.100 0.000 1.034 273 V CA -0.409 61.833 62.300 -0.097 0.000 1.045 273 V CB 0.962 32.755 31.823 -0.050 0.000 0.974 273 V HN 0.470 nan 8.190 nan 0.000 0.480 274 V N 7.287 127.152 119.914 -0.081 0.000 2.304 274 V HA 0.670 4.790 4.120 -0.000 0.000 0.278 274 V C -2.412 173.659 176.094 -0.038 0.000 1.018 274 V CA -2.076 60.185 62.300 -0.065 0.000 0.814 274 V CB 1.060 32.844 31.823 -0.065 0.000 1.021 274 V HN 0.948 nan 8.190 nan 0.000 0.440 275 P HA 0.426 nan 4.420 nan 0.000 0.264 275 P C 1.022 178.121 177.300 -0.335 0.000 1.193 275 P CA 1.506 64.508 63.100 -0.162 0.000 0.763 275 P CB 0.990 32.582 31.700 -0.180 0.000 0.810 276 G N 2.344 110.965 108.800 -0.298 0.000 2.339 276 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.209 276 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.209 276 G C -0.080 174.790 174.900 -0.049 0.000 1.015 276 G CA -0.474 44.324 45.100 -0.502 0.000 0.635 276 G HN 0.521 nan 8.290 nan 0.000 0.499 277 Y N 3.516 123.757 120.300 -0.099 0.000 2.570 277 Y HA 0.527 5.077 4.550 -0.000 0.000 0.336 277 Y C 1.051 176.970 175.900 0.031 0.000 1.284 277 Y CA 0.378 58.494 58.100 0.027 0.000 1.761 277 Y CB -0.236 38.287 38.460 0.105 0.000 1.724 277 Y HN 0.424 nan 8.280 nan 0.000 0.455 278 G N 0.447 109.206 108.800 -0.069 0.000 2.990 278 G HA2 0.447 4.407 3.960 -0.000 0.000 0.208 278 G HA3 0.447 4.407 3.960 -0.000 0.000 0.208 278 G C 0.693 175.540 174.900 -0.089 0.000 1.334 278 G CA -0.590 44.485 45.100 -0.040 0.000 1.024 278 G HN 0.892 nan 8.290 nan 0.000 0.574 279 G N -2.025 106.765 108.800 -0.016 0.000 2.180 279 G HA2 0.215 4.174 3.960 -0.000 0.000 0.263 279 G HA3 0.215 4.174 3.960 -0.000 0.000 0.263 279 G C 1.434 176.315 174.900 -0.033 0.000 0.989 279 G CA 1.510 46.606 45.100 -0.006 0.000 0.692 279 G HN 2.495 nan 8.290 nan 0.000 0.526 280 G N -2.116 106.654 108.800 -0.051 0.000 2.316 280 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.203 280 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.203 280 G C 1.285 176.062 174.900 -0.205 0.000 0.999 280 G CA 0.675 45.658 45.100 -0.196 0.000 0.649 280 G HN 0.525 nan 8.290 nan 0.000 0.489 281 M N 2.345 121.811 119.600 -0.223 0.000 2.108 281 M HA -0.129 4.351 4.480 -0.000 0.000 0.257 281 M C 2.894 179.213 176.300 0.032 0.000 1.071 281 M CA 2.644 57.785 55.300 -0.265 0.000 1.093 281 M CB -1.531 30.562 32.600 -0.845 0.000 1.345 281 M HN 0.765 nan 8.290 nan 0.000 0.403 282 S N -0.222 115.563 115.700 0.142 0.000 2.343 282 S HA -0.124 4.346 4.470 -0.000 0.000 0.219 282 S C 2.030 176.697 174.600 0.111 0.000 1.033 282 S CA 1.791 60.147 58.200 0.259 0.000 1.014 282 S CB -0.917 62.414 63.200 0.220 0.000 0.915 282 S HN 0.475 nan 8.310 nan 0.000 0.435 283 S N 2.998 118.726 115.700 0.047 0.000 2.387 283 S HA -0.070 4.400 4.470 -0.000 0.000 0.230 283 S C 2.268 176.845 174.600 -0.038 0.000 1.035 283 S CA 1.241 59.447 58.200 0.010 0.000 1.014 283 S CB -1.030 62.152 63.200 -0.029 0.000 0.836 283 S HN 0.816 nan 8.310 nan 0.000 0.466 284 A N 2.213 124.987 122.820 -0.077 0.000 1.855 284 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 284 A C 2.114 179.704 177.584 0.009 0.000 1.191 284 A CA 1.192 53.191 52.037 -0.064 0.000 0.613 284 A CB -0.340 18.610 19.000 -0.083 0.000 0.829 284 A HN 0.255 nan 8.150 nan 0.000 0.442 285 K N 0.188 120.629 120.400 0.069 0.000 2.148 285 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 285 K C 2.178 178.805 176.600 0.044 0.000 1.050 285 K CA 1.228 57.565 56.287 0.083 0.000 0.942 285 K CB -0.975 31.625 32.500 0.167 0.000 0.724 285 K HN 0.445 nan 8.250 nan 0.000 0.446 286 A N 1.583 124.429 122.820 0.044 0.000 1.908 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 286 A C 2.409 180.006 177.584 0.022 0.000 1.181 286 A CA 2.299 54.353 52.037 0.029 0.000 0.627 286 A CB -0.570 18.450 19.000 0.034 0.000 0.818 286 A HN 0.313 nan 8.150 nan 0.000 0.445 287 A N -0.900 121.931 122.820 0.019 0.000 1.930 287 A HA 0.126 4.446 4.320 -0.000 0.000 0.215 287 A C 2.114 179.701 177.584 0.005 0.000 1.176 287 A CA 1.292 53.340 52.037 0.018 0.000 0.632 287 A CB -0.561 18.452 19.000 0.022 0.000 0.819 287 A HN 0.625 nan 8.150 nan 0.000 0.445 288 L N -0.027 121.191 121.223 -0.008 0.000 2.079 288 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 288 L C 2.218 179.068 176.870 -0.034 0.000 1.081 288 L CA 2.268 57.084 54.840 -0.039 0.000 0.752 288 L CB -0.276 41.755 42.059 -0.047 0.000 0.896 288 L HN 0.508 nan 8.230 nan 0.000 0.433 289 E N -1.388 118.803 120.200 -0.015 0.000 2.107 289 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 289 E C 2.259 178.855 176.600 -0.006 0.000 0.982 289 E CA 1.176 57.567 56.400 -0.014 0.000 0.809 289 E CB -0.071 29.627 29.700 -0.002 0.000 0.756 289 E HN 0.583 nan 8.360 nan 0.000 0.459 290 S N 0.886 116.587 115.700 0.002 0.000 2.371 290 S HA -0.152 4.317 4.470 -0.000 0.000 0.224 290 S C 1.490 176.095 174.600 0.008 0.000 1.029 290 S CA 1.268 59.471 58.200 0.006 0.000 0.978 290 S CB -0.157 63.050 63.200 0.012 0.000 0.833 290 S HN 0.101 nan 8.310 nan 0.000 0.466 291 D N 1.364 121.769 120.400 0.008 0.000 2.123 291 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 291 D C 2.053 178.356 176.300 0.004 0.000 0.992 291 D CA 1.703 55.711 54.000 0.013 0.000 0.833 291 D CB -1.232 39.569 40.800 0.002 0.000 0.954 291 D HN 0.422 nan 8.370 nan 0.000 0.455 292 T N 0.940 115.483 114.554 -0.017 0.000 2.649 292 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 292 T C 2.021 176.720 174.700 -0.001 0.000 1.036 292 T CA 1.445 63.533 62.100 -0.021 0.000 1.157 292 T CB -0.078 68.770 68.868 -0.034 0.000 0.861 292 T HN 0.186 nan 8.240 nan 0.000 0.445 293 R N 0.013 120.513 120.500 0.001 0.000 2.062 293 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 293 R C 2.586 178.895 176.300 0.014 0.000 1.136 293 R CA 1.324 57.427 56.100 0.005 0.000 0.948 293 R CB -0.738 29.558 30.300 -0.006 0.000 0.845 293 R HN 0.256 nan 8.270 nan 0.000 0.430 294 V N 1.743 121.666 119.914 0.014 0.000 2.255 294 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 294 V C 2.370 178.499 176.094 0.058 0.000 1.051 294 V CA 1.853 64.164 62.300 0.018 0.000 1.018 294 V CB -0.609 31.246 31.823 0.053 0.000 0.641 294 V HN 0.276 nan 8.190 nan 0.000 0.445 295 L N 0.423 121.702 121.223 0.093 0.000 2.042 295 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 295 L C 2.772 179.693 176.870 0.085 0.000 1.076 295 L CA 1.577 56.489 54.840 0.120 0.000 0.749 295 L CB -0.933 41.166 42.059 0.066 0.000 0.893 295 L HN 0.355 nan 8.230 nan 0.000 0.432 296 A N -0.647 122.205 122.820 0.053 0.000 1.986 296 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 296 A C 2.175 179.796 177.584 0.062 0.000 1.171 296 A CA 2.085 54.149 52.037 0.044 0.000 0.640 296 A CB -0.806 18.212 19.000 0.030 0.000 0.811 296 A HN 0.568 nan 8.150 nan 0.000 0.451 297 Y N -0.532 119.717 120.300 -0.083 0.000 2.201 297 Y HA -0.087 4.463 4.550 -0.000 0.000 0.292 297 Y C 2.505 178.346 175.900 -0.098 0.000 1.119 297 Y CA 1.744 59.765 58.100 -0.132 0.000 1.127 297 Y CB -0.462 37.856 38.460 -0.235 0.000 1.019 297 Y HN 0.420 nan 8.280 nan 0.000 0.514 298 H N 0.731 119.732 119.070 -0.115 0.000 2.267 298 H HA -0.179 4.377 4.556 -0.000 0.000 0.297 298 H C 2.413 177.689 175.328 -0.087 0.000 1.080 298 H CA 2.220 58.159 56.048 -0.182 0.000 1.278 298 H CB -0.834 28.933 29.762 0.008 0.000 1.365 298 H HN 0.377 nan 8.280 nan 0.000 0.489 299 L N -0.131 121.194 121.223 0.171 0.000 2.013 299 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 299 L C 2.898 179.821 176.870 0.088 0.000 1.073 299 L CA 1.333 56.294 54.840 0.202 0.000 0.753 299 L CB -1.097 41.039 42.059 0.129 0.000 0.890 299 L HN 0.317 nan 8.230 nan 0.000 0.432 300 G N -0.155 108.647 108.800 0.004 0.000 2.514 300 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 300 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 300 G C 1.754 176.605 174.900 -0.081 0.000 1.198 300 G CA 0.563 45.646 45.100 -0.028 0.000 0.780 300 G HN 0.158 nan 8.290 nan 0.000 0.565 301 R N 0.425 120.806 120.500 -0.198 0.000 2.090 301 R HA 0.048 4.388 4.340 -0.000 0.000 0.228 301 R C 2.300 178.474 176.300 -0.210 0.000 1.110 301 R CA 1.312 57.275 56.100 -0.229 0.000 0.973 301 R CB -0.964 29.095 30.300 -0.402 0.000 0.869 301 R HN 0.498 nan 8.270 nan 0.000 0.440 302 N N -0.966 117.579 118.700 -0.258 0.000 2.305 302 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 302 N C 0.633 175.835 175.510 -0.515 0.000 1.019 302 N CA 0.742 53.518 53.050 -0.457 0.000 0.869 302 N CB 0.095 38.174 38.487 -0.679 0.000 1.000 302 N HN 0.184 nan 8.380 nan 0.000 0.431 303 Y N -0.449 119.824 120.300 -0.045 0.000 2.500 303 Y HA 0.311 4.861 4.550 -0.000 0.000 0.246 303 Y C 0.268 176.152 175.900 -0.026 0.000 1.146 303 Y CA -0.577 57.506 58.100 -0.030 0.000 1.230 303 Y CB 0.093 38.540 38.460 -0.022 0.000 1.214 303 Y HN -0.070 nan 8.280 nan 0.000 0.526 304 N N 0.962 119.706 118.700 0.075 0.000 2.725 304 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 304 N C -0.901 174.641 175.510 0.052 0.000 1.103 304 N CA 0.497 53.571 53.050 0.041 0.000 0.707 304 N CB -1.302 37.200 38.487 0.025 0.000 1.043 304 N HN 0.432 nan 8.380 nan 0.000 0.553 305 I N 0.093 120.711 120.570 0.079 0.000 2.607 305 I HA 0.412 4.582 4.170 -0.000 0.000 0.305 305 I C 0.792 176.925 176.117 0.027 0.000 0.995 305 I CA -0.744 60.586 61.300 0.049 0.000 1.148 305 I CB 1.582 39.614 38.000 0.053 0.000 1.323 305 I HN -0.007 nan 8.210 nan 0.000 0.461 306 R N 4.558 125.059 120.500 0.002 0.000 2.732 306 R HA 0.779 5.119 4.340 -0.000 0.000 0.278 306 R C -1.139 175.148 176.300 -0.021 0.000 0.976 306 R CA -0.913 55.179 56.100 -0.014 0.000 0.963 306 R CB 2.656 32.934 30.300 -0.038 0.000 1.150 306 R HN 0.548 nan 8.270 nan 0.000 0.478 307 I N 1.297 121.854 120.570 -0.022 0.000 2.644 307 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 307 I C -1.568 174.528 176.117 -0.036 0.000 1.180 307 I CA -0.465 60.817 61.300 -0.030 0.000 1.040 307 I CB 1.751 39.740 38.000 -0.018 0.000 1.255 307 I HN 0.644 nan 8.210 nan 0.000 0.422 308 N N 3.592 122.262 118.700 -0.049 0.000 2.697 308 N HA 0.472 5.212 4.740 -0.000 0.000 0.272 308 N C -1.520 173.955 175.510 -0.059 0.000 1.381 308 N CA -0.582 52.438 53.050 -0.049 0.000 0.797 308 N CB 2.405 40.860 38.487 -0.054 0.000 1.523 308 N HN 0.524 nan 8.380 nan 0.000 0.518 309 T N 0.212 114.728 114.554 -0.062 0.000 2.906 309 T HA 0.638 4.988 4.350 -0.000 0.000 0.295 309 T C -1.265 173.372 174.700 -0.104 0.000 1.061 309 T CA -0.545 61.507 62.100 -0.080 0.000 1.000 309 T CB 0.765 69.585 68.868 -0.080 0.000 1.103 309 T HN 0.287 nan 8.240 nan 0.000 0.486 310 I N 3.204 123.699 120.570 -0.125 0.000 2.382 310 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 310 I C 0.303 176.288 176.117 -0.221 0.000 1.002 310 I CA -0.738 60.466 61.300 -0.161 0.000 1.135 310 I CB 1.897 39.805 38.000 -0.152 0.000 1.288 310 I HN 0.486 nan 8.210 nan 0.000 0.448 311 S N 5.596 121.093 115.700 -0.339 0.000 2.485 311 S HA 0.511 4.981 4.470 -0.000 0.000 0.312 311 S C 0.225 174.681 174.600 -0.240 0.000 1.102 311 S CA -0.539 57.395 58.200 -0.443 0.000 1.066 311 S CB -0.031 62.422 63.200 -1.246 0.000 1.102 311 S HN 0.658 nan 8.310 nan 0.000 0.519 312 A N 3.883 126.623 122.820 -0.134 0.000 2.316 312 A HA 0.755 5.075 4.320 -0.000 0.000 0.284 312 A C 0.926 178.581 177.584 0.119 0.000 1.115 312 A CA -0.291 51.681 52.037 -0.108 0.000 0.812 312 A CB 0.386 19.138 19.000 -0.414 0.000 1.064 312 A HN 0.793 nan 8.150 nan 0.000 0.489 313 G N 0.550 109.446 108.800 0.161 0.000 2.489 313 G HA2 0.549 4.509 3.960 -0.000 0.000 0.271 313 G HA3 0.549 4.509 3.960 -0.000 0.000 0.271 313 G C -2.495 172.546 174.900 0.236 0.000 1.427 313 G CA -1.055 44.185 45.100 0.233 0.000 1.057 313 G HN 0.623 nan 8.290 nan 0.000 0.532 314 P HA 0.446 nan 4.420 nan 0.000 0.288 314 P C -1.262 176.084 177.300 0.078 0.000 1.267 314 P CA -0.411 62.750 63.100 0.101 0.000 0.815 314 P CB 1.954 33.703 31.700 0.081 0.000 0.989 315 L N 2.181 123.393 121.223 -0.018 0.000 2.431 315 L HA 0.434 4.774 4.340 -0.000 0.000 0.266 315 L C 0.269 177.051 176.870 -0.147 0.000 0.978 315 L CA -0.780 53.964 54.840 -0.160 0.000 0.822 315 L CB 2.094 43.819 42.059 -0.557 0.000 1.310 315 L HN 0.214 nan 8.230 nan 0.000 0.409 316 K N 2.811 123.145 120.400 -0.110 0.000 2.408 316 K HA 0.232 4.552 4.320 -0.000 0.000 0.231 316 K C -0.289 176.246 176.600 -0.108 0.000 1.261 316 K CA 0.021 56.260 56.287 -0.081 0.000 1.193 316 K CB -0.274 32.197 32.500 -0.048 0.000 1.431 316 K HN 0.742 nan 8.250 nan 0.000 0.243 317 S N 0.433 116.055 115.700 -0.130 0.000 2.707 317 S HA 0.247 4.716 4.470 -0.000 0.000 0.276 317 S C 1.054 175.608 174.600 -0.076 0.000 1.179 317 S CA -1.033 57.093 58.200 -0.124 0.000 0.992 317 S CB 1.693 64.800 63.200 -0.154 0.000 1.030 317 S HN 0.492 nan 8.310 nan 0.000 0.554 318 R N 0.319 120.780 120.500 -0.065 0.000 2.096 318 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 318 R C 2.198 178.477 176.300 -0.035 0.000 1.127 318 R CA 1.527 57.604 56.100 -0.038 0.000 0.968 318 R CB -1.341 28.946 30.300 -0.021 0.000 0.861 318 R HN 0.843 nan 8.270 nan 0.000 0.440 319 A N 0.639 123.430 122.820 -0.047 0.000 1.902 319 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 319 A C 2.336 179.900 177.584 -0.033 0.000 1.181 319 A CA 1.740 53.747 52.037 -0.050 0.000 0.623 319 A CB -0.595 18.367 19.000 -0.062 0.000 0.818 319 A HN 0.468 nan 8.150 nan 0.000 0.443 320 A N -0.946 121.856 122.820 -0.031 0.000 1.968 320 A HA -0.009 4.310 4.320 -0.000 0.000 0.217 320 A C 2.211 179.792 177.584 -0.003 0.000 1.169 320 A CA 2.035 54.064 52.037 -0.013 0.000 0.638 320 A CB -1.006 17.975 19.000 -0.031 0.000 0.812 320 A HN 0.453 nan 8.150 nan 0.000 0.446 321 T N 0.050 114.593 114.554 -0.018 0.000 2.951 321 T HA 0.145 4.495 4.350 -0.000 0.000 0.268 321 T C 1.958 176.647 174.700 -0.017 0.000 1.073 321 T CA 1.020 63.110 62.100 -0.017 0.000 1.134 321 T CB -0.192 68.665 68.868 -0.018 0.000 0.884 321 T HN 0.519 nan 8.240 nan 0.000 0.479 322 A N 0.873 123.684 122.820 -0.014 0.000 2.167 322 A HA 0.208 4.528 4.320 -0.000 0.000 0.214 322 A C 2.102 179.679 177.584 -0.011 0.000 1.151 322 A CA 0.327 52.356 52.037 -0.013 0.000 0.735 322 A CB -0.716 18.277 19.000 -0.012 0.000 0.802 322 A HN 0.512 nan 8.150 nan 0.000 0.467 323 I N 0.421 120.993 120.570 0.004 0.000 2.090 323 I HA -0.257 3.913 4.170 -0.000 0.000 0.236 323 I C 1.168 177.279 176.117 -0.009 0.000 1.064 323 I CA 1.085 62.408 61.300 0.037 0.000 1.324 323 I CB -1.112 36.961 38.000 0.122 0.000 1.044 323 I HN 0.706 nan 8.210 nan 0.000 0.399 367 T N -2.561 111.894 114.554 -0.165 0.000 0.546 367 T HA -0.283 4.067 4.350 -0.000 0.000 0.773 367 T C -0.355 174.248 174.700 -0.163 0.000 0.992 367 T CA 0.464 62.440 62.100 -0.207 0.000 4.074 367 T CB -1.269 67.547 68.868 -0.086 0.000 2.301 367 T HN 0.512 nan 8.240 nan 0.000 0.397 368 F N 2.210 122.123 119.950 -0.062 0.000 2.708 368 F HA 0.299 4.826 4.527 -0.000 0.000 0.299 368 F C 1.689 177.502 175.800 0.021 0.000 1.289 368 F CA -0.285 57.703 58.000 -0.019 0.000 1.444 368 F CB -0.802 38.211 39.000 0.022 0.000 1.086 368 F HN 0.682 nan 8.300 nan 0.000 0.528 369 I N -1.194 119.454 120.570 0.130 0.000 4.530 369 I HA 0.055 4.225 4.170 -0.000 0.000 0.318 369 I C 1.723 177.866 176.117 0.042 0.000 1.257 369 I CA 0.675 62.022 61.300 0.079 0.000 1.301 369 I CB -0.011 38.009 38.000 0.033 0.000 1.297 369 I HN -0.216 nan 8.210 nan 0.000 0.451 370 D N -0.153 120.235 120.400 -0.020 0.000 2.178 370 D HA -0.201 4.439 4.640 -0.000 0.000 0.202 370 D C 1.757 178.036 176.300 -0.036 0.000 0.974 370 D CA 1.238 55.213 54.000 -0.041 0.000 0.841 370 D CB -0.119 40.643 40.800 -0.063 0.000 0.953 370 D HN 0.399 nan 8.370 nan 0.000 0.478 371 Y N 1.797 121.961 120.300 -0.226 0.000 2.133 371 Y HA -0.132 4.418 4.550 -0.000 0.000 0.287 371 Y C 2.319 178.273 175.900 0.091 0.000 1.134 371 Y CA 1.700 59.761 58.100 -0.066 0.000 1.133 371 Y CB -0.563 37.866 38.460 -0.051 0.000 0.987 371 Y HN -0.058 nan 8.280 nan 0.000 0.502 372 A N 0.834 123.736 122.820 0.136 0.000 1.884 372 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 372 A C 2.341 179.965 177.584 0.067 0.000 1.197 372 A CA 2.559 54.650 52.037 0.090 0.000 0.637 372 A CB -1.368 17.714 19.000 0.137 0.000 0.827 372 A HN 0.608 nan 8.150 nan 0.000 0.450 373 I N -1.143 119.461 120.570 0.058 0.000 2.179 373 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 373 I C 2.683 178.823 176.117 0.038 0.000 1.088 373 I CA 1.489 62.820 61.300 0.052 0.000 1.357 373 I CB -0.496 37.528 38.000 0.039 0.000 1.051 373 I HN 0.422 nan 8.210 nan 0.000 0.409 374 E N 0.480 120.699 120.200 0.032 0.000 2.049 374 E HA -0.302 4.048 4.350 -0.000 0.000 0.198 374 E C 2.176 178.774 176.600 -0.004 0.000 1.007 374 E CA 2.050 58.467 56.400 0.028 0.000 0.809 374 E CB -0.359 29.396 29.700 0.092 0.000 0.749 374 E HN 0.483 nan 8.360 nan 0.000 0.450 375 Y N 0.968 121.155 120.300 -0.188 0.000 2.097 375 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 375 Y C 2.888 178.820 175.900 0.053 0.000 1.152 375 Y CA 2.179 60.230 58.100 -0.083 0.000 1.136 375 Y CB -0.529 37.728 38.460 -0.338 0.000 0.975 375 Y HN -0.025 nan 8.280 nan 0.000 0.498 376 S N -0.106 115.709 115.700 0.192 0.000 2.370 376 S HA -0.247 4.223 4.470 -0.000 0.000 0.226 376 S C 1.784 176.390 174.600 0.011 0.000 1.033 376 S CA 1.892 60.172 58.200 0.134 0.000 1.011 376 S CB -0.400 62.886 63.200 0.144 0.000 0.852 376 S HN 0.658 nan 8.310 nan 0.000 0.457 377 E N -0.141 120.043 120.200 -0.026 0.000 2.347 377 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 377 E C 1.877 178.386 176.600 -0.152 0.000 1.008 377 E CA 0.782 57.145 56.400 -0.061 0.000 0.852 377 E CB 0.054 29.731 29.700 -0.039 0.000 0.783 377 E HN 0.409 nan 8.360 nan 0.000 0.505 378 K N -0.543 119.686 120.400 -0.286 0.000 2.276 378 K HA -0.013 4.307 4.320 -0.000 0.000 0.198 378 K C 0.893 177.059 176.600 -0.723 0.000 1.052 378 K CA 0.858 56.809 56.287 -0.560 0.000 0.984 378 K CB 0.273 32.286 32.500 -0.811 0.000 0.836 378 K HN 0.008 nan 8.250 nan 0.000 0.490 379 Y N -0.207 119.926 120.300 -0.279 0.000 2.589 379 Y HA 0.480 5.030 4.550 -0.000 0.000 0.271 379 Y C 0.564 176.373 175.900 -0.152 0.000 1.107 379 Y CA -0.355 57.565 58.100 -0.300 0.000 1.273 379 Y CB -0.196 37.871 38.460 -0.655 0.000 1.266 379 Y HN -0.003 nan 8.280 nan 0.000 0.504 380 A N 2.078 124.919 122.820 0.035 0.000 2.561 380 A HA 0.055 4.375 4.320 -0.000 0.000 0.234 380 A C -1.428 176.165 177.584 0.015 0.000 1.055 380 A CA -0.691 51.371 52.037 0.041 0.000 0.756 380 A CB -0.290 18.736 19.000 0.043 0.000 0.986 380 A HN 0.184 nan 8.150 nan 0.000 0.505 381 P HA -0.098 nan 4.420 nan 0.000 0.217 381 P C 0.038 177.338 177.300 -0.001 0.000 1.148 381 P CA 0.948 64.050 63.100 0.003 0.000 0.828 381 P CB 0.078 31.776 31.700 -0.004 0.000 0.783 382 L N -0.023 121.202 121.223 0.002 0.000 2.283 382 L HA 0.234 4.574 4.340 -0.000 0.000 0.281 382 L C 1.193 178.062 176.870 -0.003 0.000 1.033 382 L CA -0.193 54.648 54.840 0.002 0.000 0.848 382 L CB 0.684 42.748 42.059 0.008 0.000 1.226 382 L HN -0.260 nan 8.230 nan 0.000 0.429 383 R N 1.069 121.561 120.500 -0.012 0.000 2.249 383 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 383 R C 0.770 177.062 176.300 -0.014 0.000 1.121 383 R CA 0.295 56.381 56.100 -0.023 0.000 0.997 383 R CB -0.400 29.884 30.300 -0.028 0.000 0.867 383 R HN 0.772 nan 8.270 nan 0.000 0.465 384 Q N 1.606 121.405 119.800 -0.002 0.000 2.479 384 Q HA -0.049 4.291 4.340 -0.000 0.000 0.267 384 Q C -0.383 175.624 176.000 0.011 0.000 1.071 384 Q CA 0.129 55.935 55.803 0.005 0.000 0.935 384 Q CB 0.451 29.195 28.738 0.011 0.000 1.295 384 Q HN -0.060 nan 8.270 nan 0.000 0.476 385 K N 2.358 122.767 120.400 0.015 0.000 2.248 385 K HA 0.246 4.566 4.320 -0.000 0.000 0.281 385 K C -0.851 175.770 176.600 0.035 0.000 1.054 385 K CA -0.696 55.604 56.287 0.022 0.000 0.903 385 K CB 0.716 33.226 32.500 0.016 0.000 1.077 385 K HN 0.600 nan 8.250 nan 0.000 0.474 386 L N 6.380 127.633 121.223 0.050 0.000 2.500 386 L HA 0.198 4.537 4.340 -0.000 0.000 0.272 386 L C -1.190 175.726 176.870 0.077 0.000 1.149 386 L CA 0.487 55.372 54.840 0.076 0.000 0.897 386 L CB -0.047 42.075 42.059 0.106 0.000 1.178 386 L HN 0.658 nan 8.230 nan 0.000 0.473 387 L N 3.719 124.993 121.223 0.085 0.000 2.352 387 L HA 0.484 4.824 4.340 -0.000 0.000 0.269 387 L C 1.514 178.467 176.870 0.139 0.000 1.034 387 L CA -0.293 54.593 54.840 0.078 0.000 0.806 387 L CB 1.431 43.528 42.059 0.064 0.000 1.244 387 L HN 0.732 nan 8.230 nan 0.000 0.447 388 S N -1.492 114.272 115.700 0.106 0.000 2.382 388 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 388 S C 1.667 176.405 174.600 0.230 0.000 1.027 388 S CA 1.437 59.754 58.200 0.194 0.000 0.991 388 S CB -0.907 62.338 63.200 0.075 0.000 0.823 388 S HN 0.885 nan 8.310 nan 0.000 0.469 389 T N -0.005 114.632 114.554 0.138 0.000 2.962 389 T HA -0.052 4.298 4.350 -0.000 0.000 0.270 389 T C 1.279 176.031 174.700 0.086 0.000 1.088 389 T CA 1.087 63.244 62.100 0.096 0.000 1.127 389 T CB -0.497 68.411 68.868 0.067 0.000 0.883 389 T HN 0.214 nan 8.240 nan 0.000 0.493 390 D N 1.364 121.826 120.400 0.103 0.000 2.123 390 D HA -0.037 4.603 4.640 -0.000 0.000 0.196 390 D C 1.846 178.185 176.300 0.066 0.000 0.992 390 D CA 0.862 54.910 54.000 0.080 0.000 0.833 390 D CB -0.171 40.685 40.800 0.092 0.000 0.954 390 D HN 0.341 nan 8.370 nan 0.000 0.455 391 I N 0.800 121.422 120.570 0.087 0.000 2.286 391 I HA -0.063 4.107 4.170 -0.000 0.000 0.245 391 I C 2.554 178.677 176.117 0.010 0.000 1.104 391 I CA 0.887 62.182 61.300 -0.007 0.000 1.397 391 I CB -0.902 36.989 38.000 -0.180 0.000 1.072 391 I HN -0.039 nan 8.210 nan 0.000 0.417 392 G N 0.142 108.976 108.800 0.057 0.000 2.446 392 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 392 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 392 G C 1.779 176.695 174.900 0.026 0.000 1.168 392 G CA 1.347 46.467 45.100 0.034 0.000 0.771 392 G HN 0.505 nan 8.290 nan 0.000 0.551 393 S N 0.397 116.118 115.700 0.035 0.000 2.368 393 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 393 S C 2.283 176.927 174.600 0.073 0.000 1.030 393 S CA 1.383 59.608 58.200 0.040 0.000 0.999 393 S CB -0.562 62.654 63.200 0.027 0.000 0.844 393 S HN 0.139 nan 8.310 nan 0.000 0.459 394 V N 2.710 122.663 119.914 0.065 0.000 2.358 394 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 394 V C 3.087 179.253 176.094 0.119 0.000 1.047 394 V CA 1.585 63.952 62.300 0.112 0.000 1.035 394 V CB -1.576 30.284 31.823 0.062 0.000 0.658 394 V HN 0.639 nan 8.190 nan 0.000 0.452 395 A N -0.213 122.630 122.820 0.038 0.000 1.865 395 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 395 A C 2.582 180.168 177.584 0.003 0.000 1.191 395 A CA 2.498 54.533 52.037 -0.003 0.000 0.623 395 A CB -1.130 17.852 19.000 -0.029 0.000 0.826 395 A HN 0.505 nan 8.150 nan 0.000 0.444 396 S N -1.333 114.381 115.700 0.024 0.000 2.380 396 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 396 S C 1.781 176.418 174.600 0.061 0.000 1.043 396 S CA 2.161 60.377 58.200 0.027 0.000 1.038 396 S CB -0.592 62.630 63.200 0.037 0.000 0.872 396 S HN 0.727 nan 8.310 nan 0.000 0.456 397 F N 1.696 121.630 119.950 -0.026 0.000 2.128 397 F HA 0.156 4.683 4.527 -0.000 0.000 0.295 397 F C 1.815 177.603 175.800 -0.020 0.000 1.100 397 F CA 1.304 59.292 58.000 -0.020 0.000 1.260 397 F CB -0.663 38.327 39.000 -0.017 0.000 1.009 397 F HN 0.202 nan 8.300 nan 0.000 0.476 398 L N 0.050 121.022 121.223 -0.418 0.000 2.191 398 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 398 L C 2.248 178.918 176.870 -0.333 0.000 1.103 398 L CA 0.920 55.453 54.840 -0.513 0.000 0.769 398 L CB -0.557 41.378 42.059 -0.207 0.000 0.908 398 L HN 0.251 nan 8.230 nan 0.000 0.438 399 L N -0.981 120.120 121.223 -0.203 0.000 2.554 399 L HA 0.023 4.363 4.340 -0.000 0.000 0.226 399 L C 1.517 178.313 176.870 -0.122 0.000 1.137 399 L CA -0.197 54.563 54.840 -0.133 0.000 0.863 399 L CB -0.129 41.878 42.059 -0.086 0.000 0.985 399 L HN 0.295 nan 8.230 nan 0.000 0.451 400 S N -1.347 114.260 115.700 -0.155 0.000 2.713 400 S HA 0.255 4.725 4.470 -0.000 0.000 0.277 400 S C 1.235 175.769 174.600 -0.111 0.000 1.168 400 S CA -0.784 57.359 58.200 -0.094 0.000 0.994 400 S CB 1.132 64.318 63.200 -0.024 0.000 1.054 400 S HN 0.025 nan 8.310 nan 0.000 0.555 401 R N 0.539 121.008 120.500 -0.052 0.000 2.189 401 R HA 0.064 4.404 4.340 -0.000 0.000 0.218 401 R C 1.439 177.722 176.300 -0.029 0.000 1.074 401 R CA 0.605 56.681 56.100 -0.039 0.000 0.991 401 R CB -0.826 29.468 30.300 -0.010 0.000 0.883 401 R HN 0.683 nan 8.270 nan 0.000 0.457 402 E N 0.461 120.665 120.200 0.005 0.000 2.455 402 E HA -0.086 4.264 4.350 -0.000 0.000 0.202 402 E C 0.921 177.597 176.600 0.126 0.000 1.045 402 E CA 0.969 57.444 56.400 0.124 0.000 0.872 402 E CB 0.021 29.905 29.700 0.307 0.000 0.792 402 E HN 0.284 nan 8.360 nan 0.000 0.542 403 S N -0.682 114.925 115.700 -0.155 0.000 2.941 403 S HA 0.131 4.601 4.470 -0.000 0.000 0.251 403 S C 1.265 175.777 174.600 -0.147 0.000 1.029 403 S CA -0.621 57.427 58.200 -0.253 0.000 1.062 403 S CB 0.137 62.784 63.200 -0.920 0.000 0.977 403 S HN 0.228 nan 8.310 nan 0.000 0.552 404 R N 0.733 121.188 120.500 -0.075 0.000 2.261 404 R HA 0.004 4.344 4.340 -0.000 0.000 0.236 404 R C 1.356 177.638 176.300 -0.031 0.000 1.141 404 R CA 1.568 57.638 56.100 -0.050 0.000 1.001 404 R CB -0.606 29.680 30.300 -0.023 0.000 0.866 404 R HN 0.446 nan 8.270 nan 0.000 0.468 405 A N 1.029 123.839 122.820 -0.016 0.000 2.387 405 A HA 0.339 4.659 4.320 -0.000 0.000 0.234 405 A C 0.500 178.084 177.584 -0.001 0.000 1.253 405 A CA -0.444 51.593 52.037 -0.001 0.000 0.894 405 A CB 0.324 19.334 19.000 0.016 0.000 0.963 405 A HN 0.220 nan 8.150 nan 0.000 0.508 406 I N 0.599 121.155 120.570 -0.023 0.000 2.328 406 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 406 I C -0.073 176.022 176.117 -0.036 0.000 1.012 406 I CA -0.151 61.136 61.300 -0.021 0.000 1.195 406 I CB 1.740 39.727 38.000 -0.021 0.000 1.350 406 I HN 0.042 nan 8.210 nan 0.000 0.464 407 T N 3.459 118.005 114.554 -0.015 0.000 2.909 407 T HA 0.585 4.935 4.350 -0.000 0.000 0.299 407 T C 0.588 175.287 174.700 -0.002 0.000 1.073 407 T CA 0.370 62.462 62.100 -0.013 0.000 0.999 407 T CB 1.590 70.456 68.868 -0.004 0.000 1.098 407 T HN 0.936 nan 8.240 nan 0.000 0.477 408 G N 2.621 111.419 108.800 -0.004 0.000 2.148 408 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.254 408 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.254 408 G C -0.055 174.845 174.900 0.000 0.000 0.981 408 G CA 0.095 45.196 45.100 0.001 0.000 0.670 408 G HN 0.724 nan 8.290 nan 0.000 0.528 409 Q N 0.439 120.238 119.800 -0.002 0.000 2.230 409 Q HA 0.533 4.873 4.340 -0.000 0.000 0.253 409 Q C 0.025 176.023 176.000 -0.003 0.000 0.919 409 Q CA -0.121 55.687 55.803 0.009 0.000 0.908 409 Q CB 1.416 30.166 28.738 0.020 0.000 1.245 409 Q HN 0.201 nan 8.270 nan 0.000 0.437 410 T N 3.102 117.662 114.554 0.011 0.000 2.729 410 T HA 0.392 4.742 4.350 -0.000 0.000 0.296 410 T C 0.285 174.993 174.700 0.013 0.000 0.928 410 T CA -0.307 61.778 62.100 -0.025 0.000 1.045 410 T CB 0.192 69.049 68.868 -0.019 0.000 0.902 410 T HN 0.259 nan 8.240 nan 0.000 0.500 411 I N 4.347 124.891 120.570 -0.043 0.000 2.328 411 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 411 I C -0.365 175.731 176.117 -0.035 0.000 1.012 411 I CA -0.787 60.526 61.300 0.022 0.000 1.195 411 I CB 0.713 38.734 38.000 0.035 0.000 1.350 411 I HN 0.640 nan 8.210 nan 0.000 0.464 412 Y N 5.285 125.570 120.300 -0.024 0.000 2.480 412 Y HA 0.181 4.731 4.550 -0.000 0.000 0.341 412 Y C 0.628 176.509 175.900 -0.032 0.000 1.031 412 Y CA -0.060 58.015 58.100 -0.042 0.000 1.295 412 Y CB 0.944 39.357 38.460 -0.078 0.000 1.162 412 Y HN 0.251 nan 8.280 nan 0.000 0.523 413 V N 4.421 124.365 119.914 0.049 0.000 2.260 413 V HA 0.170 4.290 4.120 -0.000 0.000 0.263 413 V C -0.422 175.703 176.094 0.053 0.000 1.036 413 V CA -0.520 61.800 62.300 0.034 0.000 0.874 413 V CB 0.379 32.189 31.823 -0.022 0.000 1.116 413 V HN 0.880 nan 8.190 nan 0.000 0.454 414 D N 1.199 121.655 120.400 0.093 0.000 2.740 414 D HA 0.063 4.703 4.640 -0.000 0.000 0.305 414 D C 0.485 176.839 176.300 0.089 0.000 1.583 414 D CA -0.485 53.583 54.000 0.113 0.000 0.790 414 D CB -0.088 40.808 40.800 0.160 0.000 1.187 414 D HN 0.236 nan 8.370 nan 0.000 0.447 415 N N 0.858 119.598 118.700 0.066 0.000 2.713 415 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 415 N C 1.239 176.767 175.510 0.030 0.000 1.117 415 N CA 1.674 54.751 53.050 0.045 0.000 0.770 415 N CB -1.370 37.145 38.487 0.047 0.000 1.137 415 N HN 0.772 nan 8.380 nan 0.000 0.566 416 G N -0.250 108.564 108.800 0.024 0.000 2.159 416 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.256 416 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.256 416 G C 0.884 175.770 174.900 -0.024 0.000 0.977 416 G CA 0.481 45.573 45.100 -0.013 0.000 0.652 416 G HN 0.437 nan 8.290 nan 0.000 0.531 417 L N 0.987 122.219 121.223 0.015 0.000 2.081 417 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 417 L C 2.831 179.682 176.870 -0.032 0.000 1.080 417 L CA 2.942 57.806 54.840 0.040 0.000 0.754 417 L CB -0.514 41.611 42.059 0.109 0.000 0.893 417 L HN 0.733 nan 8.230 nan 0.000 0.433 418 N N 0.738 119.333 118.700 -0.175 0.000 2.430 418 N HA -0.242 4.498 4.740 -0.000 0.000 0.186 418 N C 1.625 176.955 175.510 -0.300 0.000 1.032 418 N CA 1.654 54.432 53.050 -0.453 0.000 0.893 418 N CB -0.615 37.296 38.487 -0.959 0.000 0.957 418 N HN 0.676 nan 8.380 nan 0.000 0.442 419 I N -4.166 116.301 120.570 -0.172 0.000 3.427 419 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 419 I C 0.201 176.298 176.117 -0.034 0.000 1.249 419 I CA -0.158 61.070 61.300 -0.120 0.000 1.421 419 I CB -0.088 37.850 38.000 -0.105 0.000 1.086 419 I HN -0.030 nan 8.210 nan 0.000 0.448 420 M N 0.536 120.144 119.600 0.014 0.000 2.255 420 M HA 0.175 4.655 4.480 -0.000 0.000 0.336 420 M C 0.340 176.748 176.300 0.179 0.000 1.135 420 M CA -0.094 55.252 55.300 0.076 0.000 1.145 420 M CB 0.952 33.597 32.600 0.076 0.000 1.473 420 M HN 0.163 nan 8.290 nan 0.000 0.462 421 F N 1.974 121.912 119.950 -0.020 0.000 2.484 421 F HA 0.412 4.939 4.527 -0.000 0.000 0.268 421 F C 0.065 175.859 175.800 -0.009 0.000 0.965 421 F CA 0.327 58.319 58.000 -0.015 0.000 1.119 421 F CB -0.061 38.924 39.000 -0.024 0.000 1.153 421 F HN 0.369 nan 8.300 nan 0.000 0.689 422 L N 1.365 122.448 121.223 -0.235 0.000 2.352 422 L HA 0.427 4.767 4.340 -0.000 0.000 0.269 422 L C -2.169 174.596 176.870 -0.176 0.000 1.034 422 L CA -2.129 52.512 54.840 -0.332 0.000 0.806 422 L CB 0.262 42.081 42.059 -0.401 0.000 1.244 422 L HN -0.008 nan 8.230 nan 0.000 0.447 423 P HA -0.042 nan 4.420 nan 0.000 0.266 423 P C -0.542 176.695 177.300 -0.105 0.000 1.186 423 P CA 0.021 62.891 63.100 -0.383 0.000 0.767 423 P CB 0.321 31.719 31.700 -0.504 0.000 0.820 424 D N 0.016 120.448 120.400 0.053 0.000 2.358 424 D HA -0.059 4.581 4.640 -0.000 0.000 0.224 424 D C 0.413 176.813 176.300 0.167 0.000 1.123 424 D CA 0.060 54.132 54.000 0.120 0.000 0.833 424 D CB -0.537 40.346 40.800 0.139 0.000 0.946 424 D HN 0.131 nan 8.370 nan 0.000 0.505 425 D N 1.439 121.932 120.400 0.155 0.000 2.191 425 D HA -0.230 4.410 4.640 -0.000 0.000 0.190 425 D C 2.115 178.472 176.300 0.095 0.000 1.007 425 D CA 1.752 55.831 54.000 0.130 0.000 0.865 425 D CB -0.232 40.637 40.800 0.114 0.000 0.929 425 D HN 0.467 nan 8.370 nan 0.000 0.447 426 I N -0.728 119.895 120.570 0.087 0.000 2.118 426 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 426 I C 2.552 178.728 176.117 0.100 0.000 1.070 426 I CA 1.410 62.757 61.300 0.078 0.000 1.327 426 I CB -1.140 36.904 38.000 0.073 0.000 1.034 426 I HN -0.045 nan 8.210 nan 0.000 0.405 427 Y N 1.969 122.279 120.300 0.016 0.000 2.097 427 Y HA -0.082 4.468 4.550 -0.000 0.000 0.282 427 Y C 1.437 177.345 175.900 0.013 0.000 1.152 427 Y CA 1.205 59.314 58.100 0.015 0.000 1.136 427 Y CB -0.056 38.414 38.460 0.018 0.000 0.975 427 Y HN -0.011 nan 8.280 nan 0.000 0.498 428 R N 2.826 123.369 120.500 0.072 0.000 2.630 428 R HA 0.033 4.373 4.340 -0.000 0.000 0.286 428 R C -0.823 175.445 176.300 -0.053 0.000 1.391 428 R CA 0.415 56.502 56.100 -0.021 0.000 1.027 428 R CB -0.867 29.463 30.300 0.051 0.000 1.099 428 R HN 0.484 nan 8.270 nan 0.000 0.525 429 N N 0.000 118.628 118.700 -0.119 0.000 1.763 429 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 429 N CA 0.000 53.000 53.050 -0.084 0.000 0.885 429 N CB 0.000 38.454 38.487 -0.055 0.000 1.341 429 N HN 0.000 nan 8.380 nan 0.000 0.667