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 1gl7_1_A DATA FIRST_RESID 78 DATA SEQUENCE EFGGAPFKRF LRGTRIVSGG KLKRMTREKA KQVTVAGVPM PRDAEPRHLL DATA SEQUENCE VNGATGTGKS VLLRELAYTG LLRGDRMVIV DPNGDMLSKF GRDKDIILNP DATA SEQUENCE YDQRTKGWSF FNEIRNDYDW QRYALSVVPR GKTDEAEEWA SYGRLLLRET DATA SEQUENCE AKKLALIGTP SMRELFHWTT IATFDDLRGF LEGTLAESLF AGSNEASKAL DATA SEQUENCE TSARFVLSDK LPEHVTMPDG DFSIRSWLED PNGGNLFITW REDMGPALRP DATA SEQUENCE LISAWVDVVC TSILSLPEEP KRRLWLFIDE LASLEKLASL ADALTKGRKA DATA SEQUENCE GLRVVAGLQS TSQLDDVYGV KEAQTLRASF RSLVVLGGSR TDPKTNEDMS DATA SEQUENCE LSLGEHEVER DXXXXXXXXX XXXXXXXERV RERVVMPAEI ANLPDLTAYV DATA SEQUENCE GFAGNRPIAK VPLEIKQFAN RQPAFVE 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 78 E HA 0.000 nan 4.350 nan 0.000 0.291 78 E C 0.000 176.770 176.600 0.284 0.000 1.382 78 E CA 0.000 56.510 56.400 0.183 0.000 0.976 78 E CB 0.000 29.774 29.700 0.123 0.000 0.812 79 F N 1.027 121.079 119.950 0.171 0.000 2.420 79 F HA 0.528 5.055 4.527 -0.000 0.000 0.342 79 F C 1.066 176.960 175.800 0.157 0.000 1.113 79 F CA 0.134 58.253 58.000 0.199 0.000 1.059 79 F CB 1.394 40.580 39.000 0.310 0.000 1.128 79 F HN 0.538 nan 8.300 nan 0.000 0.475 80 G N 4.110 112.664 108.800 -0.411 0.000 2.418 80 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.217 80 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.217 80 G C 0.889 175.377 174.900 -0.688 0.000 1.158 80 G CA 0.541 45.376 45.100 -0.440 0.000 0.771 80 G HN 0.994 nan 8.290 nan 0.000 0.545 81 G N -0.103 107.779 108.800 -1.530 0.000 2.525 81 G HA2 0.480 4.440 3.960 -0.000 0.000 0.276 81 G HA3 0.480 4.440 3.960 -0.000 0.000 0.276 81 G C 0.343 175.062 174.900 -0.300 0.000 1.388 81 G CA 0.132 44.717 45.100 -0.858 0.000 1.050 81 G HN 0.683 nan 8.290 nan 0.000 0.520 82 A N 0.297 123.188 122.820 0.117 0.000 2.488 82 A HA 0.516 4.836 4.320 -0.000 0.000 0.249 82 A C -1.931 175.954 177.584 0.501 0.000 1.083 82 A CA -0.672 51.516 52.037 0.251 0.000 0.768 82 A CB -0.244 18.879 19.000 0.206 0.000 1.017 82 A HN 0.415 nan 8.150 nan 0.000 0.496 83 P HA 0.319 nan 4.420 nan 0.000 0.268 83 P C -0.583 176.974 177.300 0.428 0.000 1.208 83 P CA 0.286 63.639 63.100 0.422 0.000 0.777 83 P CB 0.256 32.064 31.700 0.180 0.000 0.875 84 F N -0.405 119.614 119.950 0.116 0.000 2.639 84 F HA 0.640 5.167 4.527 -0.000 0.000 0.339 84 F C 1.240 177.059 175.800 0.032 0.000 1.071 84 F CA -1.421 56.611 58.000 0.053 0.000 0.994 84 F CB 0.879 39.873 39.000 -0.010 0.000 1.341 84 F HN 0.148 nan 8.300 nan 0.000 0.498 85 K N -0.319 120.149 120.400 0.113 0.000 2.284 85 K HA 0.262 4.582 4.320 -0.000 0.000 0.198 85 K C -0.091 176.517 176.600 0.014 0.000 1.048 85 K CA 0.316 56.606 56.287 0.004 0.000 0.987 85 K CB 0.452 32.977 32.500 0.042 0.000 0.800 85 K HN 0.765 nan 8.250 nan 0.000 0.486 86 R N 0.006 120.627 120.500 0.202 0.000 2.633 86 R HA 0.098 4.438 4.340 -0.000 0.000 0.256 86 R C -2.049 174.491 176.300 0.401 0.000 1.131 86 R CA -0.629 55.606 56.100 0.226 0.000 0.994 86 R CB 0.657 31.021 30.300 0.105 0.000 1.261 86 R HN -0.014 nan 8.270 nan 0.000 0.446 87 F N 5.837 125.951 119.950 0.273 0.000 2.420 87 F HA 0.333 4.860 4.527 -0.000 0.000 0.352 87 F C -0.041 175.759 175.800 -0.001 0.000 1.108 87 F CA -0.315 57.757 58.000 0.119 0.000 1.162 87 F CB 0.862 39.975 39.000 0.188 0.000 1.118 87 F HN 0.542 nan 8.300 nan 0.000 0.510 88 L N 4.271 125.085 121.223 -0.683 0.000 2.327 88 L HA 0.329 4.669 4.340 -0.000 0.000 0.192 88 L C 0.077 176.626 176.870 -0.535 0.000 1.158 88 L CA 0.045 54.623 54.840 -0.436 0.000 0.813 88 L CB -0.160 41.696 42.059 -0.337 0.000 1.021 88 L HN 0.561 nan 8.230 nan 0.000 0.481 89 R N -1.438 118.575 120.500 -0.812 0.000 2.795 89 R HA 0.746 5.086 4.340 -0.000 0.000 0.268 89 R C -0.455 175.632 176.300 -0.355 0.000 1.041 89 R CA -0.300 55.564 56.100 -0.393 0.000 0.927 89 R CB 0.697 30.907 30.300 -0.151 0.000 1.235 89 R HN 0.242 nan 8.270 nan 0.000 0.463 90 G N -0.187 108.649 108.800 0.060 0.000 2.472 90 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.205 90 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.205 90 G C -0.933 174.178 174.900 0.351 0.000 1.270 90 G CA -0.456 44.733 45.100 0.148 0.000 0.974 90 G HN 0.696 nan 8.290 nan 0.000 0.542 91 T N 2.231 116.942 114.554 0.262 0.000 2.901 91 T HA 0.532 4.882 4.350 -0.000 0.000 0.301 91 T C 0.643 175.521 174.700 0.297 0.000 1.012 91 T CA 0.483 62.714 62.100 0.218 0.000 1.135 91 T CB 0.366 69.302 68.868 0.112 0.000 0.936 91 T HN 0.751 nan 8.240 nan 0.000 0.539 92 R N 2.916 123.480 120.500 0.106 0.000 2.534 92 R HA 0.667 5.007 4.340 -0.000 0.000 0.301 92 R C -1.048 175.270 176.300 0.029 0.000 0.961 92 R CA -0.833 55.236 56.100 -0.052 0.000 0.871 92 R CB 1.491 31.536 30.300 -0.425 0.000 1.170 92 R HN 0.580 nan 8.270 nan 0.000 0.446 93 I N 2.949 123.573 120.570 0.090 0.000 2.460 93 I HA 0.481 4.650 4.170 -0.000 0.000 0.298 93 I C -0.984 175.205 176.117 0.121 0.000 0.989 93 I CA -1.136 60.249 61.300 0.141 0.000 1.173 93 I CB 1.958 40.099 38.000 0.235 0.000 1.338 93 I HN 0.516 nan 8.210 nan 0.000 0.456 94 V N 5.613 125.594 119.914 0.111 0.000 3.141 94 V HA 0.498 4.618 4.120 -0.000 0.000 0.312 94 V C -0.168 175.981 176.094 0.091 0.000 1.157 94 V CA -0.363 61.989 62.300 0.086 0.000 1.041 94 V CB 2.667 34.522 31.823 0.053 0.000 1.071 94 V HN 0.903 nan 8.190 nan 0.000 0.441 95 S N 2.300 118.043 115.700 0.071 0.000 2.579 95 S HA 0.301 4.771 4.470 -0.000 0.000 0.275 95 S C 1.344 175.974 174.600 0.050 0.000 1.345 95 S CA 0.321 58.555 58.200 0.057 0.000 1.031 95 S CB 1.089 64.316 63.200 0.045 0.000 0.892 95 S HN 1.537 nan 8.310 nan 0.000 0.529 96 G N 2.254 111.075 108.800 0.034 0.000 2.586 96 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 96 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 96 G C 1.421 176.348 174.900 0.045 0.000 1.216 96 G CA 0.854 45.974 45.100 0.033 0.000 0.786 96 G HN 1.114 nan 8.290 nan 0.000 0.583 97 G N 0.535 109.356 108.800 0.035 0.000 2.459 97 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 97 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 97 G C 1.853 176.776 174.900 0.038 0.000 1.183 97 G CA 1.452 46.573 45.100 0.035 0.000 0.776 97 G HN 0.372 nan 8.290 nan 0.000 0.552 98 K N 0.111 120.533 120.400 0.037 0.000 2.059 98 K HA -0.121 4.199 4.320 -0.000 0.000 0.212 98 K C 2.519 179.146 176.600 0.045 0.000 1.050 98 K CA 1.433 57.741 56.287 0.035 0.000 0.927 98 K CB -0.771 31.749 32.500 0.034 0.000 0.714 98 K HN 0.331 nan 8.250 nan 0.000 0.447 99 L N 1.738 122.998 121.223 0.063 0.000 1.970 99 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 99 L C 2.100 179.023 176.870 0.090 0.000 1.071 99 L CA 1.985 56.879 54.840 0.090 0.000 0.751 99 L CB -0.539 41.593 42.059 0.121 0.000 0.889 99 L HN 0.097 nan 8.230 nan 0.000 0.432 100 K N -0.764 119.687 120.400 0.086 0.000 2.144 100 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 100 K C 2.126 178.753 176.600 0.046 0.000 1.047 100 K CA 2.084 58.415 56.287 0.075 0.000 0.927 100 K CB -0.262 32.276 32.500 0.063 0.000 0.716 100 K HN 0.424 nan 8.250 nan 0.000 0.454 101 R N 0.297 120.819 120.500 0.036 0.000 2.057 101 R HA 0.010 4.350 4.340 -0.000 0.000 0.229 101 R C 2.482 178.792 176.300 0.016 0.000 1.136 101 R CA 1.457 57.570 56.100 0.022 0.000 0.952 101 R CB -0.374 29.937 30.300 0.018 0.000 0.848 101 R HN 0.189 nan 8.270 nan 0.000 0.430 102 M N 0.801 120.415 119.600 0.023 0.000 2.089 102 M HA -0.189 4.290 4.480 -0.000 0.000 0.257 102 M C 2.446 178.747 176.300 0.002 0.000 1.071 102 M CA 2.494 57.804 55.300 0.016 0.000 1.096 102 M CB -0.949 31.669 32.600 0.030 0.000 1.330 102 M HN 0.307 nan 8.290 nan 0.000 0.403 103 T N -1.942 112.614 114.554 0.002 0.000 3.055 103 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 103 T C 0.953 175.615 174.700 -0.063 0.000 1.111 103 T CA -0.045 62.022 62.100 -0.055 0.000 1.118 103 T CB -0.288 68.521 68.868 -0.098 0.000 0.909 103 T HN 0.338 nan 8.240 nan 0.000 0.501 104 R N 1.534 122.018 120.500 -0.026 0.000 2.522 104 R HA 0.163 4.503 4.340 -0.000 0.000 0.284 104 R C -0.372 175.911 176.300 -0.029 0.000 1.032 104 R CA 0.326 56.412 56.100 -0.023 0.000 1.049 104 R CB 0.306 30.602 30.300 -0.005 0.000 0.956 104 R HN 0.490 nan 8.270 nan 0.000 0.422 105 E N 2.464 122.645 120.200 -0.032 0.000 2.355 105 E HA 0.129 4.479 4.350 -0.000 0.000 0.261 105 E C 0.015 176.603 176.600 -0.020 0.000 0.943 105 E CA -0.941 55.441 56.400 -0.030 0.000 0.806 105 E CB 1.602 31.278 29.700 -0.040 0.000 1.286 105 E HN 0.399 nan 8.360 nan 0.000 0.424 106 K N 0.899 121.288 120.400 -0.018 0.000 1.969 106 K HA -0.053 4.267 4.320 -0.000 0.000 0.216 106 K C 0.687 177.279 176.600 -0.012 0.000 1.048 106 K CA 1.605 57.884 56.287 -0.013 0.000 0.948 106 K CB -0.445 32.047 32.500 -0.013 0.000 0.726 106 K HN 0.515 nan 8.250 nan 0.000 0.442 107 A N 0.972 123.784 122.820 -0.013 0.000 2.364 107 A HA 0.093 4.413 4.320 -0.000 0.000 0.258 107 A C -0.626 176.951 177.584 -0.010 0.000 1.131 107 A CA 0.052 52.083 52.037 -0.011 0.000 0.800 107 A CB -0.051 18.944 19.000 -0.010 0.000 1.086 107 A HN 0.344 nan 8.150 nan 0.000 0.508 108 K N 0.789 121.185 120.400 -0.007 0.000 2.383 108 K HA 0.225 4.544 4.320 -0.000 0.000 0.286 108 K C -0.256 176.342 176.600 -0.003 0.000 1.051 108 K CA 0.383 56.665 56.287 -0.009 0.000 0.974 108 K CB 0.413 32.906 32.500 -0.011 0.000 0.968 108 K HN 0.657 nan 8.250 nan 0.000 0.475 109 Q N 0.640 120.436 119.800 -0.007 0.000 2.495 109 Q HA 0.501 4.841 4.340 -0.000 0.000 0.283 109 Q C -0.406 175.594 176.000 -0.000 0.000 1.097 109 Q CA -1.129 54.676 55.803 0.003 0.000 0.836 109 Q CB 1.904 30.633 28.738 -0.014 0.000 1.426 109 Q HN 0.468 nan 8.270 nan 0.000 0.459 110 V N -2.315 117.611 119.914 0.020 0.000 3.093 110 V HA 0.833 4.953 4.120 -0.000 0.000 0.320 110 V C -0.241 175.878 176.094 0.042 0.000 1.093 110 V CA -0.738 61.561 62.300 -0.002 0.000 1.016 110 V CB 1.498 33.299 31.823 -0.037 0.000 1.096 110 V HN 0.926 nan 8.190 nan 0.000 0.452 111 T N -0.968 113.617 114.554 0.052 0.000 2.887 111 T HA 0.771 5.121 4.350 -0.000 0.000 0.288 111 T C -0.768 174.021 174.700 0.149 0.000 1.021 111 T CA -0.710 61.458 62.100 0.113 0.000 1.000 111 T CB 1.631 70.559 68.868 0.100 0.000 1.034 111 T HN 0.776 nan 8.240 nan 0.000 0.467 112 V N 2.263 122.311 119.914 0.223 0.000 2.349 112 V HA 0.645 4.765 4.120 -0.000 0.000 0.284 112 V C 0.716 176.892 176.094 0.137 0.000 1.014 112 V CA -0.205 62.215 62.300 0.199 0.000 0.826 112 V CB 0.187 32.180 31.823 0.284 0.000 1.009 112 V HN 1.599 nan 8.190 nan 0.000 0.431 113 A N 4.169 127.046 122.820 0.094 0.000 2.745 113 A HA 0.023 4.343 4.320 -0.000 0.000 0.296 113 A C 1.793 179.423 177.584 0.076 0.000 1.500 113 A CA 1.335 53.411 52.037 0.066 0.000 0.766 113 A CB -1.526 17.493 19.000 0.032 0.000 1.030 113 A HN 2.548 nan 8.150 nan 0.000 0.489 114 G N -3.597 105.260 108.800 0.095 0.000 2.205 114 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.261 114 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.261 114 G C 0.445 175.410 174.900 0.109 0.000 0.980 114 G CA 0.577 45.731 45.100 0.090 0.000 0.632 114 G HN 1.893 nan 8.290 nan 0.000 0.533 115 V N 3.420 123.427 119.914 0.156 0.000 2.432 115 V HA 0.462 4.582 4.120 -0.000 0.000 0.275 115 V C -1.459 174.773 176.094 0.230 0.000 1.043 115 V CA -1.495 60.934 62.300 0.215 0.000 0.925 115 V CB 1.587 33.605 31.823 0.325 0.000 0.985 115 V HN 0.222 nan 8.190 nan 0.000 0.466 116 P HA 0.076 nan 4.420 nan 0.000 0.270 116 P C -0.415 176.805 177.300 -0.134 0.000 1.242 116 P CA -0.113 63.001 63.100 0.023 0.000 0.768 116 P CB 0.623 32.321 31.700 -0.004 0.000 0.820 117 M N 6.598 126.112 119.600 -0.144 0.000 2.162 117 M HA 0.301 4.781 4.480 -0.000 0.000 0.356 117 M C -2.352 173.727 176.300 -0.370 0.000 1.303 117 M CA -2.183 52.829 55.300 -0.480 0.000 1.116 117 M CB 0.634 33.217 32.600 -0.029 0.000 1.632 117 M HN 0.067 nan 8.290 nan 0.000 0.469 118 P HA -0.029 nan 4.420 nan 0.000 0.260 118 P C -0.043 177.166 177.300 -0.151 0.000 1.185 118 P CA 0.144 63.079 63.100 -0.277 0.000 0.763 118 P CB 0.337 31.865 31.700 -0.286 0.000 0.776 119 R N 3.531 123.977 120.500 -0.090 0.000 2.119 119 R HA -0.225 4.115 4.340 -0.000 0.000 0.246 119 R C 1.328 177.593 176.300 -0.058 0.000 1.146 119 R CA 2.461 58.533 56.100 -0.047 0.000 0.962 119 R CB -1.126 29.153 30.300 -0.036 0.000 0.863 119 R HN 0.664 nan 8.270 nan 0.000 0.442 120 D N -0.183 120.175 120.400 -0.069 0.000 2.310 120 D HA -0.068 4.572 4.640 -0.000 0.000 0.212 120 D C 1.423 177.674 176.300 -0.081 0.000 0.965 120 D CA 1.052 55.009 54.000 -0.072 0.000 0.879 120 D CB -0.019 40.745 40.800 -0.059 0.000 0.921 120 D HN 0.196 nan 8.370 nan 0.000 0.510 121 A N 0.108 122.885 122.820 -0.071 0.000 2.208 121 A HA 0.009 4.329 4.320 -0.000 0.000 0.209 121 A C 1.897 179.450 177.584 -0.051 0.000 1.161 121 A CA 0.290 52.304 52.037 -0.038 0.000 0.782 121 A CB -0.374 18.633 19.000 0.011 0.000 0.816 121 A HN 0.199 nan 8.150 nan 0.000 0.477 122 E N 0.374 120.526 120.200 -0.080 0.000 2.047 122 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 122 E C -0.822 175.555 176.600 -0.371 0.000 0.987 122 E CA 1.241 57.557 56.400 -0.141 0.000 0.799 122 E CB -0.529 29.117 29.700 -0.090 0.000 0.752 122 E HN 0.528 nan 8.360 nan 0.000 0.449 123 P HA 0.035 nan 4.420 nan 0.000 0.253 123 P C 0.282 177.101 177.300 -0.801 0.000 1.260 123 P CA 0.529 63.317 63.100 -0.520 0.000 0.800 123 P CB 0.407 31.911 31.700 -0.327 0.000 1.162 124 R N -0.675 119.453 120.500 -0.621 0.000 2.362 124 R HA 0.144 4.484 4.340 -0.000 0.000 0.227 124 R C 0.250 176.247 176.300 -0.505 0.000 0.905 124 R CA -0.416 55.371 56.100 -0.522 0.000 1.067 124 R CB -1.007 29.179 30.300 -0.190 0.000 1.078 124 R HN 0.349 nan 8.270 nan 0.000 0.516 125 H N -0.836 118.140 119.070 -0.157 0.000 4.462 125 H HA -0.225 4.331 4.556 -0.000 0.000 0.253 125 H C -0.673 174.737 175.328 0.138 0.000 0.554 125 H CA 0.419 56.383 56.048 -0.141 0.000 0.688 125 H CB -0.703 28.731 29.762 -0.548 0.000 1.017 125 H HN 0.091 nan 8.280 nan 0.000 0.299 126 L N 1.797 123.294 121.223 0.457 0.000 2.409 126 L HA 0.519 4.858 4.340 -0.000 0.000 0.272 126 L C -1.362 175.811 176.870 0.505 0.000 0.980 126 L CA -0.763 54.351 54.840 0.457 0.000 0.826 126 L CB 1.589 43.878 42.059 0.383 0.000 1.268 126 L HN 0.486 nan 8.230 nan 0.000 0.407 127 L N 6.023 127.418 121.223 0.287 0.000 2.287 127 L HA 0.606 4.945 4.340 -0.000 0.000 0.287 127 L C -0.986 175.884 176.870 0.000 0.000 1.022 127 L CA -0.263 54.555 54.840 -0.036 0.000 0.814 127 L CB 1.733 43.640 42.059 -0.252 0.000 1.217 127 L HN 0.409 nan 8.230 nan 0.000 0.420 128 V N 5.497 125.411 119.914 0.000 0.000 2.294 128 V HA 0.439 4.559 4.120 -0.000 0.000 0.272 128 V C -0.002 176.087 176.094 -0.008 0.000 1.027 128 V CA -0.726 61.588 62.300 0.023 0.000 0.823 128 V CB 0.924 32.788 31.823 0.068 0.000 1.030 128 V HN 0.751 nan 8.190 nan 0.000 0.457 129 N N 3.565 122.257 118.700 -0.014 0.000 2.421 129 N HA 0.772 5.512 4.740 -0.000 0.000 0.285 129 N C -0.187 175.327 175.510 0.005 0.000 1.027 129 N CA 0.249 53.289 53.050 -0.016 0.000 0.918 129 N CB 2.239 40.708 38.487 -0.029 0.000 1.152 129 N HN 0.839 nan 8.380 nan 0.000 0.485 130 G N 0.333 109.138 108.800 0.007 0.000 2.519 130 G HA2 0.564 4.524 3.960 -0.000 0.000 0.292 130 G HA3 0.564 4.524 3.960 -0.000 0.000 0.292 130 G C -1.252 173.656 174.900 0.013 0.000 1.507 130 G CA -0.225 44.884 45.100 0.016 0.000 0.806 130 G HN 0.687 nan 8.290 nan 0.000 0.523 131 A N -0.080 122.749 122.820 0.015 0.000 2.292 131 A HA 0.737 5.057 4.320 -0.000 0.000 0.265 131 A C 1.055 178.647 177.584 0.012 0.000 1.133 131 A CA 0.728 52.773 52.037 0.012 0.000 0.807 131 A CB 0.230 19.237 19.000 0.012 0.000 1.102 131 A HN 1.770 nan 8.150 nan 0.000 0.502 132 T N -0.872 113.688 114.554 0.010 0.000 2.779 132 T HA 0.457 4.806 4.350 -0.000 0.000 0.296 132 T C 1.104 175.808 174.700 0.006 0.000 0.938 132 T CA 1.224 63.329 62.100 0.009 0.000 1.119 132 T CB -0.326 68.547 68.868 0.008 0.000 0.891 132 T HN 2.325 nan 8.240 nan 0.000 0.526 133 G N 3.411 112.214 108.800 0.004 0.000 2.157 133 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.239 133 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.239 133 G C 0.855 175.758 174.900 0.004 0.000 0.982 133 G CA 0.810 45.911 45.100 0.002 0.000 0.650 133 G HN 1.227 nan 8.290 nan 0.000 0.527 134 T N -2.280 112.279 114.554 0.008 0.000 3.113 134 T HA 0.443 4.793 4.350 -0.000 0.000 0.256 134 T C 2.095 176.800 174.700 0.010 0.000 1.131 134 T CA 1.598 63.704 62.100 0.009 0.000 1.074 134 T CB 0.439 69.315 68.868 0.014 0.000 0.944 134 T HN 2.146 nan 8.240 nan 0.000 0.516 135 G N 1.231 110.037 108.800 0.009 0.000 2.164 135 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.154 135 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.154 135 G C 0.863 175.771 174.900 0.014 0.000 1.014 135 G CA 0.095 45.202 45.100 0.011 0.000 0.683 135 G HN 0.369 nan 8.290 nan 0.000 0.500 136 K N 0.944 121.353 120.400 0.015 0.000 2.044 136 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 136 K C 2.581 179.187 176.600 0.010 0.000 1.049 136 K CA 1.899 58.198 56.287 0.020 0.000 0.927 136 K CB -0.411 32.103 32.500 0.024 0.000 0.713 136 K HN 0.445 nan 8.250 nan 0.000 0.443 137 S N 1.256 116.955 115.700 -0.002 0.000 2.354 137 S HA -0.137 4.333 4.470 -0.000 0.000 0.219 137 S C 2.290 176.875 174.600 -0.025 0.000 1.035 137 S CA 1.516 59.702 58.200 -0.023 0.000 1.037 137 S CB -0.684 62.499 63.200 -0.028 0.000 0.956 137 S HN 0.037 nan 8.310 nan 0.000 0.428 138 V N 2.506 122.418 119.914 -0.002 0.000 2.257 138 V HA -0.290 3.830 4.120 -0.000 0.000 0.257 138 V C 2.242 178.352 176.094 0.026 0.000 1.077 138 V CA 2.312 64.627 62.300 0.025 0.000 1.063 138 V CB -0.806 31.039 31.823 0.037 0.000 0.664 138 V HN 0.433 nan 8.190 nan 0.000 0.450 139 L N -1.172 120.063 121.223 0.020 0.000 1.976 139 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 139 L C 2.333 179.199 176.870 -0.006 0.000 1.071 139 L CA 1.733 56.590 54.840 0.027 0.000 0.746 139 L CB -0.188 41.894 42.059 0.038 0.000 0.890 139 L HN 0.235 nan 8.230 nan 0.000 0.432 140 L N -0.053 121.146 121.223 -0.039 0.000 2.191 140 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 140 L C 2.698 179.384 176.870 -0.308 0.000 1.103 140 L CA 1.561 56.311 54.840 -0.150 0.000 0.769 140 L CB -0.749 41.230 42.059 -0.133 0.000 0.908 140 L HN 0.255 nan 8.230 nan 0.000 0.438 141 R N -0.133 120.252 120.500 -0.191 0.000 2.062 141 R HA -0.193 4.147 4.340 -0.000 0.000 0.231 141 R C 2.321 178.509 176.300 -0.187 0.000 1.136 141 R CA 1.623 57.603 56.100 -0.200 0.000 0.948 141 R CB -0.171 30.022 30.300 -0.178 0.000 0.845 141 R HN 0.511 nan 8.270 nan 0.000 0.430 142 E N 0.664 120.846 120.200 -0.030 0.000 2.058 142 E HA -0.246 4.103 4.350 -0.000 0.000 0.194 142 E C 2.102 178.709 176.600 0.011 0.000 0.997 142 E CA 1.276 57.749 56.400 0.122 0.000 0.801 142 E CB -0.270 29.520 29.700 0.151 0.000 0.746 142 E HN 0.412 nan 8.360 nan 0.000 0.450 143 L N 0.444 121.620 121.223 -0.079 0.000 2.013 143 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 143 L C 2.637 179.320 176.870 -0.312 0.000 1.073 143 L CA 1.679 56.437 54.840 -0.136 0.000 0.753 143 L CB -0.541 41.492 42.059 -0.044 0.000 0.890 143 L HN 0.349 nan 8.230 nan 0.000 0.432 144 A N -0.896 121.641 122.820 -0.472 0.000 1.858 144 A HA -0.327 3.993 4.320 -0.000 0.000 0.216 144 A C 2.110 179.370 177.584 -0.539 0.000 1.190 144 A CA 1.867 53.552 52.037 -0.586 0.000 0.617 144 A CB -1.173 17.361 19.000 -0.778 0.000 0.827 144 A HN 0.595 nan 8.150 nan 0.000 0.443 145 Y N 1.998 121.875 120.300 -0.705 0.000 2.053 145 Y HA -0.306 4.244 4.550 -0.000 0.000 0.277 145 Y C 2.920 178.675 175.900 -0.243 0.000 1.159 145 Y CA 2.958 60.729 58.100 -0.549 0.000 1.125 145 Y CB -1.115 37.252 38.460 -0.155 0.000 0.969 145 Y HN 0.458 nan 8.280 nan 0.000 0.492 146 T N -2.414 111.926 114.554 -0.358 0.000 2.803 146 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 146 T C 2.185 176.685 174.700 -0.334 0.000 1.052 146 T CA 1.443 63.320 62.100 -0.371 0.000 1.136 146 T CB -1.415 67.370 68.868 -0.138 0.000 0.864 146 T HN 0.450 nan 8.240 nan 0.000 0.467 147 G N 1.289 109.874 108.800 -0.359 0.000 2.403 147 G HA2 0.054 4.014 3.960 -0.000 0.000 0.216 147 G HA3 0.054 4.014 3.960 -0.000 0.000 0.216 147 G C 1.546 176.302 174.900 -0.241 0.000 1.154 147 G CA 0.543 45.437 45.100 -0.344 0.000 0.784 147 G HN 0.533 nan 8.290 nan 0.000 0.538 148 L N 0.069 121.126 121.223 -0.277 0.000 2.093 148 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 148 L C 2.742 179.519 176.870 -0.154 0.000 1.085 148 L CA 0.404 55.141 54.840 -0.173 0.000 0.755 148 L CB -0.369 41.589 42.059 -0.168 0.000 0.904 148 L HN 0.166 nan 8.230 nan 0.000 0.435 149 L N -0.413 120.650 121.223 -0.267 0.000 2.265 149 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 149 L C 2.521 179.317 176.870 -0.124 0.000 1.117 149 L CA 0.969 55.678 54.840 -0.219 0.000 0.782 149 L CB -0.441 41.407 42.059 -0.353 0.000 0.914 149 L HN 0.255 nan 8.230 nan 0.000 0.441 150 R N 0.263 120.695 120.500 -0.113 0.000 2.317 150 R HA 0.074 4.414 4.340 -0.000 0.000 0.208 150 R C 1.098 177.385 176.300 -0.021 0.000 0.914 150 R CA 0.592 56.660 56.100 -0.053 0.000 1.060 150 R CB 0.269 30.548 30.300 -0.036 0.000 1.015 150 R HN 0.318 nan 8.270 nan 0.000 0.498 151 G N 1.661 110.444 108.800 -0.027 0.000 2.160 151 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.251 151 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.251 151 G C -0.665 174.254 174.900 0.033 0.000 1.008 151 G CA 0.383 45.486 45.100 0.004 0.000 0.724 151 G HN 0.419 nan 8.290 nan 0.000 0.514 152 D N -0.256 120.176 120.400 0.053 0.000 2.344 152 D HA 0.466 5.106 4.640 -0.000 0.000 0.244 152 D C 1.152 177.533 176.300 0.135 0.000 1.134 152 D CA -0.082 53.998 54.000 0.133 0.000 0.930 152 D CB 0.785 41.759 40.800 0.289 0.000 1.175 152 D HN 0.405 nan 8.370 nan 0.000 0.437 153 R N 0.049 120.641 120.500 0.154 0.000 2.607 153 R HA 0.752 5.092 4.340 -0.000 0.000 0.261 153 R C 0.171 176.618 176.300 0.244 0.000 1.051 153 R CA -0.650 55.535 56.100 0.141 0.000 1.110 153 R CB 1.107 31.418 30.300 0.019 0.000 1.158 153 R HN 0.518 nan 8.270 nan 0.000 0.543 154 M N -1.838 117.921 119.600 0.264 0.000 2.694 154 M HA 0.359 4.839 4.480 -0.000 0.000 0.276 154 M C -1.681 174.782 176.300 0.272 0.000 1.167 154 M CA -1.097 54.380 55.300 0.296 0.000 0.849 154 M CB 1.620 34.413 32.600 0.322 0.000 1.705 154 M HN 0.211 nan 8.290 nan 0.000 0.504 155 V N 2.406 122.454 119.914 0.224 0.000 2.513 155 V HA 0.667 4.787 4.120 -0.000 0.000 0.299 155 V C -0.644 175.515 176.094 0.108 0.000 1.035 155 V CA -0.480 61.886 62.300 0.110 0.000 0.889 155 V CB 2.046 33.943 31.823 0.123 0.000 0.988 155 V HN 0.749 nan 8.190 nan 0.000 0.440 156 I N 4.216 124.785 120.570 -0.002 0.000 2.468 156 I HA 0.280 4.449 4.170 -0.000 0.000 0.284 156 I C -0.324 175.890 176.117 0.162 0.000 1.038 156 I CA -0.704 60.653 61.300 0.095 0.000 1.083 156 I CB 2.149 40.093 38.000 -0.093 0.000 1.223 156 I HN 0.273 nan 8.210 nan 0.000 0.443 157 V N 4.554 124.619 119.914 0.251 0.000 2.324 157 V HA -0.025 4.095 4.120 -0.000 0.000 0.244 157 V C 0.036 176.374 176.094 0.406 0.000 1.144 157 V CA 0.305 62.822 62.300 0.362 0.000 1.158 157 V CB -0.280 31.741 31.823 0.331 0.000 1.254 157 V HN 0.629 nan 8.190 nan 0.000 0.492 158 D N 6.839 127.457 120.400 0.363 0.000 2.412 158 D HA 0.359 4.999 4.640 -0.000 0.000 0.224 158 D C -2.700 173.505 176.300 -0.158 0.000 1.093 158 D CA -2.126 51.968 54.000 0.157 0.000 0.850 158 D CB 1.776 42.704 40.800 0.214 0.000 1.046 158 D HN 0.246 nan 8.370 nan 0.000 0.507 159 P HA 0.225 nan 4.420 nan 0.000 0.281 159 P C -0.376 176.532 177.300 -0.654 0.000 1.252 159 P CA -0.318 62.044 63.100 -1.229 0.000 0.778 159 P CB 0.551 31.755 31.700 -0.827 0.000 0.895 160 N N 2.474 120.767 118.700 -0.678 0.000 2.714 160 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 160 N C 0.807 176.197 175.510 -0.200 0.000 1.117 160 N CA 1.442 54.271 53.050 -0.368 0.000 0.719 160 N CB -1.702 36.609 38.487 -0.294 0.000 1.081 160 N HN 0.900 nan 8.380 nan 0.000 0.557 161 G N 0.497 109.208 108.800 -0.148 0.000 2.402 161 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.300 161 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.300 161 G C 0.758 175.633 174.900 -0.042 0.000 0.987 161 G CA 1.433 46.515 45.100 -0.030 0.000 0.881 161 G HN 0.660 nan 8.290 nan 0.000 0.512 162 D N -0.354 120.002 120.400 -0.074 0.000 2.078 162 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 162 D C 2.590 178.854 176.300 -0.060 0.000 0.990 162 D CA 1.601 55.551 54.000 -0.084 0.000 0.827 162 D CB -0.110 40.630 40.800 -0.101 0.000 0.975 162 D HN 0.254 nan 8.370 nan 0.000 0.451 163 M N -0.143 119.480 119.600 0.039 0.000 2.144 163 M HA -0.120 4.360 4.480 -0.000 0.000 0.260 163 M C 2.303 178.787 176.300 0.308 0.000 1.067 163 M CA 0.837 56.252 55.300 0.192 0.000 1.095 163 M CB -1.061 31.706 32.600 0.279 0.000 1.365 163 M HN 0.251 nan 8.290 nan 0.000 0.406 164 L N 0.739 122.094 121.223 0.220 0.000 1.976 164 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 164 L C 2.685 179.426 176.870 -0.214 0.000 1.071 164 L CA 2.475 57.179 54.840 -0.226 0.000 0.746 164 L CB -0.917 40.938 42.059 -0.340 0.000 0.890 164 L HN 0.458 nan 8.230 nan 0.000 0.432 165 S N -1.414 114.192 115.700 -0.158 0.000 2.440 165 S HA -0.182 4.288 4.470 -0.000 0.000 0.240 165 S C 1.835 176.319 174.600 -0.192 0.000 1.014 165 S CA 1.148 59.258 58.200 -0.151 0.000 0.980 165 S CB -0.510 62.621 63.200 -0.115 0.000 0.775 165 S HN 0.474 nan 8.310 nan 0.000 0.499 166 K N 0.012 120.226 120.400 -0.311 0.000 2.244 166 K HA 0.282 4.602 4.320 -0.000 0.000 0.200 166 K C 0.728 176.994 176.600 -0.557 0.000 1.052 166 K CA 0.635 56.580 56.287 -0.569 0.000 0.980 166 K CB -0.224 31.637 32.500 -1.065 0.000 0.838 166 K HN 0.570 nan 8.250 nan 0.000 0.481 167 F N 0.500 120.496 119.950 0.076 0.000 2.746 167 F HA 0.311 4.838 4.527 -0.000 0.000 0.320 167 F C 1.196 177.097 175.800 0.168 0.000 1.097 167 F CA -0.993 57.104 58.000 0.162 0.000 1.195 167 F CB -0.236 38.893 39.000 0.215 0.000 1.056 167 F HN -0.176 nan 8.300 nan 0.000 0.562 168 G N 1.636 110.484 108.800 0.080 0.000 2.380 168 G HA2 0.403 4.363 3.960 -0.000 0.000 0.242 168 G HA3 0.403 4.363 3.960 -0.000 0.000 0.242 168 G C 0.062 174.964 174.900 0.005 0.000 1.298 168 G CA -0.261 44.739 45.100 -0.166 0.000 0.878 168 G HN 0.166 nan 8.290 nan 0.000 0.542 169 R N 0.860 121.395 120.500 0.059 0.000 2.919 169 R HA 0.268 4.608 4.340 -0.000 0.000 0.260 169 R C 0.429 176.760 176.300 0.051 0.000 1.067 169 R CA -0.992 55.157 56.100 0.080 0.000 1.003 169 R CB 1.537 31.919 30.300 0.136 0.000 1.192 169 R HN 0.500 nan 8.270 nan 0.000 0.488 170 D N 1.556 121.987 120.400 0.052 0.000 2.123 170 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 170 D C 1.060 177.403 176.300 0.072 0.000 0.992 170 D CA 1.671 55.698 54.000 0.044 0.000 0.833 170 D CB 0.198 41.023 40.800 0.041 0.000 0.954 170 D HN 0.466 nan 8.370 nan 0.000 0.455 171 K N 0.881 121.341 120.400 0.101 0.000 2.525 171 K HA 0.022 4.342 4.320 -0.000 0.000 0.192 171 K C 0.202 176.919 176.600 0.195 0.000 1.029 171 K CA 0.255 56.622 56.287 0.134 0.000 1.029 171 K CB 0.257 32.834 32.500 0.129 0.000 0.814 171 K HN -0.048 nan 8.250 nan 0.000 0.503 172 D N 1.330 121.843 120.400 0.189 0.000 2.329 172 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 172 D C 0.231 176.645 176.300 0.190 0.000 1.111 172 D CA -0.336 53.825 54.000 0.268 0.000 0.941 172 D CB 0.985 41.977 40.800 0.321 0.000 1.169 172 D HN -0.065 nan 8.370 nan 0.000 0.441 173 I N 1.321 122.013 120.570 0.204 0.000 2.488 173 I HA 0.370 4.540 4.170 -0.000 0.000 0.299 173 I C 0.442 176.505 176.117 -0.090 0.000 0.984 173 I CA -0.439 60.849 61.300 -0.019 0.000 1.250 173 I CB 0.951 38.794 38.000 -0.262 0.000 1.389 173 I HN 0.174 nan 8.210 nan 0.000 0.488 174 I N 5.804 126.243 120.570 -0.217 0.000 2.499 174 I HA 0.369 4.539 4.170 -0.000 0.000 0.288 174 I C -0.879 175.028 176.117 -0.350 0.000 1.048 174 I CA -0.499 60.684 61.300 -0.196 0.000 1.062 174 I CB 2.343 40.278 38.000 -0.110 0.000 1.238 174 I HN 0.227 nan 8.210 nan 0.000 0.426 175 L N 6.640 127.622 121.223 -0.401 0.000 2.345 175 L HA 0.548 4.888 4.340 -0.000 0.000 0.274 175 L C -0.648 176.115 176.870 -0.179 0.000 0.999 175 L CA -0.355 54.103 54.840 -0.637 0.000 0.849 175 L CB 1.233 42.372 42.059 -1.533 0.000 1.220 175 L HN 0.552 nan 8.230 nan 0.000 0.422 176 N N 5.320 124.079 118.700 0.098 0.000 3.193 176 N HA 0.105 4.845 4.740 -0.000 0.000 0.234 176 N C -2.318 173.368 175.510 0.294 0.000 1.267 176 N CA -0.870 52.379 53.050 0.332 0.000 0.875 176 N CB 2.203 40.886 38.487 0.326 0.000 1.592 176 N HN 0.100 nan 8.380 nan 0.000 0.648 177 P HA -0.166 nan 4.420 nan 0.000 0.218 177 P C 0.366 177.527 177.300 -0.232 0.000 1.147 177 P CA 1.478 64.582 63.100 0.006 0.000 0.827 177 P CB 0.086 31.733 31.700 -0.088 0.000 0.778 178 Y N -1.176 119.264 120.300 0.233 0.000 2.524 178 Y HA 0.291 4.841 4.550 -0.000 0.000 0.266 178 Y C 0.883 176.977 175.900 0.323 0.000 1.180 178 Y CA -0.716 57.549 58.100 0.275 0.000 1.244 178 Y CB -0.098 38.553 38.460 0.317 0.000 1.125 178 Y HN -0.057 nan 8.280 nan 0.000 0.524 179 D N 0.291 120.873 120.400 0.302 0.000 2.256 179 D HA 0.066 4.706 4.640 -0.000 0.000 0.240 179 D C 0.906 177.190 176.300 -0.028 0.000 1.062 179 D CA -0.168 53.889 54.000 0.096 0.000 0.832 179 D CB 1.871 42.783 40.800 0.187 0.000 1.135 179 D HN 0.059 nan 8.370 nan 0.000 0.484 180 Q N 3.020 122.742 119.800 -0.130 0.000 2.217 180 Q HA -0.181 4.159 4.340 -0.000 0.000 0.209 180 Q C 1.415 177.380 176.000 -0.059 0.000 0.988 180 Q CA 1.793 57.540 55.803 -0.093 0.000 0.878 180 Q CB 0.168 28.831 28.738 -0.125 0.000 0.909 180 Q HN 0.442 nan 8.270 nan 0.000 0.424 181 R N -0.735 119.727 120.500 -0.063 0.000 2.297 181 R HA 0.100 4.440 4.340 -0.000 0.000 0.197 181 R C 0.735 177.009 176.300 -0.044 0.000 0.943 181 R CA 0.486 56.557 56.100 -0.049 0.000 1.038 181 R CB -0.090 30.174 30.300 -0.061 0.000 0.957 181 R HN 0.089 nan 8.270 nan 0.000 0.484 182 T N 1.035 115.570 114.554 -0.032 0.000 2.855 182 T HA -0.008 4.341 4.350 -0.000 0.000 0.322 182 T C 0.303 174.967 174.700 -0.060 0.000 1.088 182 T CA 0.062 62.129 62.100 -0.055 0.000 1.104 182 T CB 0.494 69.364 68.868 0.003 0.000 0.996 182 T HN -0.086 nan 8.240 nan 0.000 0.549 183 K N 1.699 122.016 120.400 -0.139 0.000 2.109 183 K HA 0.469 4.789 4.320 -0.000 0.000 0.243 183 K C 0.445 177.080 176.600 0.058 0.000 1.006 183 K CA -0.520 55.724 56.287 -0.071 0.000 0.917 183 K CB 0.903 33.232 32.500 -0.285 0.000 1.081 183 K HN 0.769 nan 8.250 nan 0.000 0.468 184 G N 0.439 109.340 108.800 0.168 0.000 2.320 184 G HA2 0.370 4.330 3.960 -0.000 0.000 0.300 184 G HA3 0.370 4.330 3.960 -0.000 0.000 0.300 184 G C -1.448 173.682 174.900 0.384 0.000 1.126 184 G CA -0.363 44.871 45.100 0.224 0.000 0.896 184 G HN 0.565 nan 8.290 nan 0.000 0.436 185 W N 2.177 123.593 121.300 0.192 0.000 3.167 185 W HA 0.658 5.318 4.660 -0.000 0.000 0.324 185 W C -0.718 175.984 176.519 0.306 0.000 1.230 185 W CA -0.822 56.687 57.345 0.273 0.000 1.184 185 W CB 2.204 31.851 29.460 0.311 0.000 1.414 185 W HN 0.727 nan 8.180 nan 0.000 0.551 186 S N 3.325 118.437 115.700 -0.979 0.000 2.556 186 S HA 0.342 4.812 4.470 -0.000 0.000 0.271 186 S C 0.165 173.745 174.600 -1.700 0.000 1.135 186 S CA -0.396 57.200 58.200 -1.007 0.000 0.858 186 S CB 0.408 63.472 63.200 -0.228 0.000 1.114 186 S HN 0.876 nan 8.310 nan 0.000 0.468 187 F N 2.353 121.548 119.950 -1.258 0.000 2.451 187 F HA 0.221 4.748 4.527 -0.000 0.000 0.299 187 F C 1.228 176.779 175.800 -0.415 0.000 1.101 187 F CA 0.608 58.236 58.000 -0.620 0.000 1.436 187 F CB -0.828 38.042 39.000 -0.218 0.000 1.074 187 F HN 0.532 nan 8.300 nan 0.000 0.553 188 F N 1.722 120.997 119.950 -1.125 0.000 2.126 188 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 188 F C 1.841 177.301 175.800 -0.566 0.000 1.096 188 F CA 1.556 59.017 58.000 -0.899 0.000 1.255 188 F CB -0.832 37.812 39.000 -0.593 0.000 0.997 188 F HN 0.001 nan 8.300 nan 0.000 0.479 189 N N 0.230 118.762 118.700 -0.280 0.000 2.659 189 N HA -0.141 4.599 4.740 -0.000 0.000 0.194 189 N C 0.948 176.376 175.510 -0.138 0.000 1.140 189 N CA 0.901 53.849 53.050 -0.170 0.000 0.936 189 N CB -0.344 38.078 38.487 -0.108 0.000 0.970 189 N HN 0.416 nan 8.380 nan 0.000 0.449 190 E N -0.539 119.501 120.200 -0.268 0.000 2.572 190 E HA 0.140 4.490 4.350 -0.000 0.000 0.220 190 E C 0.043 176.339 176.600 -0.507 0.000 0.945 190 E CA -0.179 56.006 56.400 -0.359 0.000 1.070 190 E CB 0.845 30.217 29.700 -0.547 0.000 1.090 190 E HN 0.187 nan 8.360 nan 0.000 0.506 191 I N 1.738 121.996 120.570 -0.519 0.000 2.452 191 I HA 0.137 4.306 4.170 -0.000 0.000 0.287 191 I C 1.192 177.062 176.117 -0.411 0.000 1.079 191 I CA 0.414 61.360 61.300 -0.590 0.000 1.387 191 I CB 0.547 37.995 38.000 -0.920 0.000 1.404 191 I HN -0.048 nan 8.210 nan 0.000 0.522 192 R N 3.293 123.577 120.500 -0.361 0.000 2.568 192 R HA 0.268 4.608 4.340 -0.000 0.000 0.254 192 R C 0.149 176.312 176.300 -0.229 0.000 0.925 192 R CA -0.017 55.938 56.100 -0.242 0.000 1.025 192 R CB 0.714 30.918 30.300 -0.160 0.000 1.428 192 R HN 0.610 nan 8.270 nan 0.000 0.573 193 N N -0.675 117.818 118.700 -0.345 0.000 2.831 193 N HA 0.041 4.781 4.740 -0.000 0.000 0.276 193 N C -0.455 174.890 175.510 -0.274 0.000 1.416 193 N CA -0.418 52.471 53.050 -0.268 0.000 0.799 193 N CB 1.646 39.959 38.487 -0.290 0.000 1.554 193 N HN -0.203 nan 8.380 nan 0.000 0.541 194 D N -0.268 120.105 120.400 -0.045 0.000 2.117 194 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 194 D C 1.825 178.226 176.300 0.167 0.000 0.982 194 D CA 1.488 55.569 54.000 0.135 0.000 0.828 194 D CB -0.042 40.886 40.800 0.215 0.000 0.967 194 D HN 0.620 nan 8.370 nan 0.000 0.464 195 Y N -0.042 120.328 120.300 0.117 0.000 2.384 195 Y HA -0.076 4.474 4.550 -0.000 0.000 0.289 195 Y C 1.473 177.447 175.900 0.123 0.000 1.152 195 Y CA 1.034 59.203 58.100 0.116 0.000 1.258 195 Y CB -0.742 37.760 38.460 0.070 0.000 0.979 195 Y HN -0.108 nan 8.280 nan 0.000 0.549 196 D N 0.264 120.429 120.400 -0.392 0.000 2.221 196 D HA -0.194 4.446 4.640 -0.000 0.000 0.204 196 D C 1.506 177.883 176.300 0.128 0.000 0.982 196 D CA 1.387 55.282 54.000 -0.175 0.000 0.857 196 D CB -0.526 40.065 40.800 -0.348 0.000 0.934 196 D HN 0.595 nan 8.370 nan 0.000 0.475 197 W N 1.065 122.451 121.300 0.143 0.000 2.329 197 W HA -0.236 4.423 4.660 -0.000 0.000 0.324 197 W C 2.783 179.407 176.519 0.176 0.000 1.222 197 W CA 0.625 58.073 57.345 0.171 0.000 1.270 197 W CB -0.412 29.113 29.460 0.109 0.000 1.167 197 W HN -0.036 nan 8.180 nan 0.000 0.467 198 Q N 1.180 121.212 119.800 0.387 0.000 2.119 198 Q HA -0.199 4.141 4.340 -0.000 0.000 0.201 198 Q C 2.129 178.221 176.000 0.153 0.000 0.972 198 Q CA 1.958 57.898 55.803 0.228 0.000 0.847 198 Q CB -0.594 28.244 28.738 0.167 0.000 0.903 198 Q HN 0.227 nan 8.270 nan 0.000 0.433 199 R N -1.167 119.413 120.500 0.132 0.000 2.112 199 R HA -0.236 4.104 4.340 -0.000 0.000 0.242 199 R C 1.615 177.772 176.300 -0.238 0.000 1.137 199 R CA 2.191 58.245 56.100 -0.076 0.000 0.944 199 R CB -0.470 29.738 30.300 -0.153 0.000 0.857 199 R HN 0.450 nan 8.270 nan 0.000 0.435 200 Y N -0.714 119.683 120.300 0.162 0.000 2.490 200 Y HA 0.224 4.774 4.550 -0.000 0.000 0.285 200 Y C 2.235 178.190 175.900 0.092 0.000 1.117 200 Y CA 0.441 58.643 58.100 0.170 0.000 1.262 200 Y CB -0.004 38.610 38.460 0.256 0.000 1.043 200 Y HN 0.235 nan 8.280 nan 0.000 0.553 201 A N -0.130 122.800 122.820 0.183 0.000 2.019 201 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 201 A C 2.002 179.593 177.584 0.012 0.000 1.164 201 A CA 1.270 53.329 52.037 0.036 0.000 0.644 201 A CB -0.714 18.333 19.000 0.078 0.000 0.805 201 A HN 0.369 nan 8.150 nan 0.000 0.449 202 L N -0.252 120.991 121.223 0.034 0.000 2.141 202 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 202 L C 2.528 179.410 176.870 0.020 0.000 1.094 202 L CA 2.145 56.992 54.840 0.012 0.000 0.763 202 L CB -0.606 41.450 42.059 -0.005 0.000 0.908 202 L HN 0.331 nan 8.230 nan 0.000 0.437 203 S N -1.854 113.878 115.700 0.052 0.000 2.446 203 S HA -0.026 4.444 4.470 -0.000 0.000 0.225 203 S C 1.961 176.611 174.600 0.083 0.000 1.016 203 S CA 0.725 58.983 58.200 0.097 0.000 0.943 203 S CB 0.056 63.377 63.200 0.202 0.000 0.786 203 S HN 0.219 nan 8.310 nan 0.000 0.508 204 V N 1.150 121.077 119.914 0.022 0.000 2.407 204 V HA 0.038 4.158 4.120 -0.000 0.000 0.245 204 V C 0.833 176.898 176.094 -0.049 0.000 1.041 204 V CA 0.984 63.230 62.300 -0.090 0.000 1.040 204 V CB -0.263 31.345 31.823 -0.358 0.000 0.671 204 V HN 0.281 nan 8.190 nan 0.000 0.455 205 V N 3.400 123.290 119.914 -0.039 0.000 2.220 205 V HA 0.299 4.419 4.120 -0.000 0.000 0.265 205 V C -2.063 174.029 176.094 -0.002 0.000 1.078 205 V CA -1.806 60.487 62.300 -0.011 0.000 0.872 205 V CB 0.495 32.314 31.823 -0.008 0.000 1.121 205 V HN 0.332 nan 8.190 nan 0.000 0.460 206 P HA -0.017 nan 4.420 nan 0.000 0.272 206 P C -0.009 177.269 177.300 -0.037 0.000 1.239 206 P CA -0.176 62.911 63.100 -0.021 0.000 0.807 206 P CB 0.705 32.383 31.700 -0.036 0.000 0.951 207 R N -0.233 120.228 120.500 -0.065 0.000 2.623 207 R HA 0.238 4.578 4.340 -0.000 0.000 0.271 207 R C 0.989 177.235 176.300 -0.091 0.000 1.043 207 R CA 0.249 56.302 56.100 -0.079 0.000 1.083 207 R CB -0.691 29.550 30.300 -0.097 0.000 0.974 207 R HN 0.613 nan 8.270 nan 0.000 0.436 208 G N 1.327 110.077 108.800 -0.084 0.000 2.403 208 G HA2 0.020 3.980 3.960 -0.000 0.000 0.259 208 G HA3 0.020 3.980 3.960 -0.000 0.000 0.259 208 G C 0.896 175.731 174.900 -0.110 0.000 1.244 208 G CA -0.419 44.630 45.100 -0.086 0.000 0.849 208 G HN 0.652 nan 8.290 nan 0.000 0.532 209 K N 0.720 121.062 120.400 -0.096 0.000 2.044 209 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 209 K C 1.527 178.068 176.600 -0.099 0.000 1.049 209 K CA 1.712 57.941 56.287 -0.097 0.000 0.927 209 K CB -0.181 32.278 32.500 -0.067 0.000 0.713 209 K HN 0.628 nan 8.250 nan 0.000 0.443 210 T N -2.072 112.407 114.554 -0.125 0.000 2.948 210 T HA 0.167 4.517 4.350 -0.000 0.000 0.285 210 T C 0.540 175.123 174.700 -0.194 0.000 1.019 210 T CA -0.877 61.136 62.100 -0.146 0.000 1.013 210 T CB 1.422 70.191 68.868 -0.165 0.000 1.117 210 T HN -0.033 nan 8.240 nan 0.000 0.533 211 D N 0.361 120.653 120.400 -0.180 0.000 2.092 211 D HA -0.108 4.532 4.640 -0.000 0.000 0.193 211 D C 1.867 177.984 176.300 -0.306 0.000 0.994 211 D CA 1.481 55.365 54.000 -0.192 0.000 0.828 211 D CB -0.149 40.564 40.800 -0.145 0.000 0.963 211 D HN 0.781 nan 8.370 nan 0.000 0.450 212 E N 0.325 120.291 120.200 -0.390 0.000 2.049 212 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 212 E C 2.078 178.017 176.600 -1.102 0.000 1.007 212 E CA 1.154 57.145 56.400 -0.681 0.000 0.809 212 E CB -0.081 29.219 29.700 -0.667 0.000 0.749 212 E HN 0.185 nan 8.360 nan 0.000 0.450 213 A N 1.166 123.469 122.820 -0.862 0.000 1.917 213 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 213 A C 2.029 179.431 177.584 -0.304 0.000 1.182 213 A CA 2.081 53.770 52.037 -0.579 0.000 0.633 213 A CB -0.606 18.258 19.000 -0.225 0.000 0.819 213 A HN 0.242 nan 8.150 nan 0.000 0.448 214 E N 0.204 120.236 120.200 -0.279 0.000 2.110 214 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 214 E C 1.894 178.361 176.600 -0.221 0.000 0.988 214 E CA 1.679 57.968 56.400 -0.185 0.000 0.804 214 E CB -0.362 29.239 29.700 -0.165 0.000 0.745 214 E HN 0.727 nan 8.360 nan 0.000 0.458 215 E N -0.624 119.370 120.200 -0.343 0.000 2.033 215 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 215 E C 1.680 178.064 176.600 -0.360 0.000 1.011 215 E CA 1.733 57.892 56.400 -0.401 0.000 0.815 215 E CB -0.335 29.138 29.700 -0.379 0.000 0.755 215 E HN 0.384 nan 8.360 nan 0.000 0.451 216 W N 0.381 121.607 121.300 -0.123 0.000 2.338 216 W HA -0.113 4.547 4.660 -0.000 0.000 0.304 216 W C 2.516 179.042 176.519 0.012 0.000 1.212 216 W CA 0.920 58.296 57.345 0.051 0.000 1.264 216 W CB -1.410 28.109 29.460 0.098 0.000 1.142 216 W HN 0.279 nan 8.180 nan 0.000 0.512 217 A N 0.228 123.158 122.820 0.183 0.000 1.873 217 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 217 A C 2.309 179.918 177.584 0.041 0.000 1.193 217 A CA 2.825 54.919 52.037 0.096 0.000 0.629 217 A CB -1.361 17.652 19.000 0.021 0.000 0.826 217 A HN 0.200 nan 8.150 nan 0.000 0.447 218 S N -1.431 114.221 115.700 -0.080 0.000 2.369 218 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 218 S C 1.859 176.464 174.600 0.009 0.000 1.043 218 S CA 1.917 60.044 58.200 -0.121 0.000 1.074 218 S CB -0.628 62.387 63.200 -0.309 0.000 0.962 218 S HN 0.671 nan 8.310 nan 0.000 0.433 219 Y N 0.978 121.387 120.300 0.182 0.000 2.151 219 Y HA -0.146 4.404 4.550 -0.000 0.000 0.284 219 Y C 2.818 178.883 175.900 0.276 0.000 1.166 219 Y CA 0.480 58.749 58.100 0.282 0.000 1.163 219 Y CB -0.872 37.806 38.460 0.363 0.000 0.974 219 Y HN 0.447 nan 8.280 nan 0.000 0.511 220 G N 0.327 109.322 108.800 0.324 0.000 2.446 220 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 220 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 220 G C 1.652 176.636 174.900 0.141 0.000 1.168 220 G CA 0.844 46.066 45.100 0.204 0.000 0.771 220 G HN 0.307 nan 8.290 nan 0.000 0.551 221 R N -0.418 120.145 120.500 0.104 0.000 2.096 221 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 221 R C 2.466 178.806 176.300 0.067 0.000 1.127 221 R CA 1.056 57.192 56.100 0.060 0.000 0.968 221 R CB -0.666 29.659 30.300 0.042 0.000 0.861 221 R HN 0.397 nan 8.270 nan 0.000 0.440 222 L N 1.363 122.641 121.223 0.090 0.000 1.970 222 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 222 L C 2.209 179.103 176.870 0.040 0.000 1.071 222 L CA 1.574 56.431 54.840 0.027 0.000 0.751 222 L CB -0.807 41.235 42.059 -0.029 0.000 0.889 222 L HN 0.097 nan 8.230 nan 0.000 0.432 223 L N -0.903 120.436 121.223 0.192 0.000 2.013 223 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 223 L C 2.380 179.298 176.870 0.080 0.000 1.073 223 L CA 2.113 57.086 54.840 0.222 0.000 0.753 223 L CB -0.984 41.234 42.059 0.265 0.000 0.890 223 L HN 0.450 nan 8.230 nan 0.000 0.432 224 L N 0.244 121.504 121.223 0.062 0.000 1.955 224 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 224 L C 2.909 179.785 176.870 0.011 0.000 1.072 224 L CA 2.567 57.421 54.840 0.024 0.000 0.755 224 L CB -0.951 41.090 42.059 -0.029 0.000 0.888 224 L HN 0.556 nan 8.230 nan 0.000 0.432 225 R N -1.055 119.448 120.500 0.004 0.000 2.094 225 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 225 R C 1.922 178.049 176.300 -0.288 0.000 1.137 225 R CA 1.743 57.809 56.100 -0.057 0.000 0.943 225 R CB -1.023 29.295 30.300 0.030 0.000 0.850 225 R HN 0.358 nan 8.270 nan 0.000 0.433 226 E N 0.545 120.618 120.200 -0.212 0.000 2.051 226 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 226 E C 2.159 178.587 176.600 -0.286 0.000 0.991 226 E CA 1.949 58.183 56.400 -0.277 0.000 0.799 226 E CB -0.530 29.039 29.700 -0.218 0.000 0.748 226 E HN 0.473 nan 8.360 nan 0.000 0.449 227 T N 1.278 115.737 114.554 -0.160 0.000 2.708 227 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 227 T C 1.935 176.659 174.700 0.040 0.000 1.037 227 T CA 1.693 63.762 62.100 -0.051 0.000 1.146 227 T CB -0.291 68.647 68.868 0.118 0.000 0.865 227 T HN 0.283 nan 8.240 nan 0.000 0.435 228 A N 1.379 124.211 122.820 0.019 0.000 1.933 228 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 228 A C 2.241 179.732 177.584 -0.155 0.000 1.175 228 A CA 1.773 53.889 52.037 0.131 0.000 0.628 228 A CB -0.514 18.585 19.000 0.164 0.000 0.814 228 A HN 0.443 nan 8.150 nan 0.000 0.444 229 K N -0.219 119.730 120.400 -0.752 0.000 2.026 229 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 229 K C 2.190 178.646 176.600 -0.240 0.000 1.048 229 K CA 1.879 57.627 56.287 -0.899 0.000 0.929 229 K CB -0.163 31.736 32.500 -1.001 0.000 0.713 229 K HN 0.428 nan 8.250 nan 0.000 0.439 230 K N 0.973 121.246 120.400 -0.211 0.000 1.991 230 K HA -0.129 4.191 4.320 -0.000 0.000 0.212 230 K C 2.061 178.709 176.600 0.080 0.000 1.049 230 K CA 1.456 57.666 56.287 -0.130 0.000 0.932 230 K CB -0.282 31.987 32.500 -0.386 0.000 0.717 230 K HN 0.100 nan 8.250 nan 0.000 0.441 231 L N 0.419 121.784 121.223 0.237 0.000 2.081 231 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 231 L C 2.592 179.550 176.870 0.148 0.000 1.080 231 L CA 1.379 56.398 54.840 0.299 0.000 0.754 231 L CB -0.706 41.583 42.059 0.385 0.000 0.893 231 L HN 0.430 nan 8.230 nan 0.000 0.433 232 A N 0.059 122.984 122.820 0.175 0.000 1.855 232 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 232 A C 2.243 179.888 177.584 0.101 0.000 1.191 232 A CA 1.322 53.447 52.037 0.147 0.000 0.613 232 A CB -0.752 18.503 19.000 0.426 0.000 0.829 232 A HN 0.321 nan 8.150 nan 0.000 0.442 233 L N -0.042 121.244 121.223 0.104 0.000 2.021 233 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 233 L C 2.276 179.179 176.870 0.054 0.000 1.074 233 L CA 1.951 56.831 54.840 0.068 0.000 0.760 233 L CB -0.568 41.509 42.059 0.031 0.000 0.889 233 L HN 0.710 nan 8.230 nan 0.000 0.433 234 I N -2.364 118.247 120.570 0.069 0.000 3.684 234 I HA 0.206 4.376 4.170 -0.000 0.000 0.308 234 I C 1.208 177.355 176.117 0.050 0.000 1.263 234 I CA 0.508 61.851 61.300 0.072 0.000 1.174 234 I CB -0.941 37.133 38.000 0.123 0.000 1.021 234 I HN 0.307 nan 8.210 nan 0.000 0.451 235 G N 2.410 111.226 108.800 0.026 0.000 2.203 235 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 235 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 235 G C 0.445 175.325 174.900 -0.033 0.000 1.012 235 G CA 0.709 45.804 45.100 -0.008 0.000 0.749 235 G HN 0.834 nan 8.290 nan 0.000 0.512 236 T N -1.992 112.545 114.554 -0.028 0.000 3.514 236 T HA 0.592 4.942 4.350 -0.000 0.000 0.259 236 T C -1.804 172.817 174.700 -0.132 0.000 1.466 236 T CA -0.960 61.109 62.100 -0.051 0.000 1.562 236 T CB 1.898 70.776 68.868 0.017 0.000 0.924 236 T HN 0.167 nan 8.240 nan 0.000 0.678 237 P HA 0.162 nan 4.420 nan 0.000 0.235 237 P C -0.101 176.811 177.300 -0.647 0.000 1.720 237 P CA 0.114 62.658 63.100 -0.927 0.000 1.003 237 P CB -0.268 30.668 31.700 -1.273 0.000 1.968 238 S N 1.830 117.425 115.700 -0.174 0.000 2.457 238 S HA 0.309 4.778 4.470 -0.000 0.000 0.289 238 S C 1.480 176.219 174.600 0.232 0.000 1.163 238 S CA -0.689 57.519 58.200 0.013 0.000 1.078 238 S CB 0.377 63.586 63.200 0.016 0.000 0.987 238 S HN -0.029 nan 8.310 nan 0.000 0.482 239 M N 4.171 123.936 119.600 0.274 0.000 2.132 239 M HA -0.002 4.478 4.480 -0.000 0.000 0.263 239 M C 2.069 178.540 176.300 0.286 0.000 1.065 239 M CA 1.521 57.036 55.300 0.360 0.000 1.122 239 M CB -1.317 31.458 32.600 0.292 0.000 1.365 239 M HN 0.741 nan 8.290 nan 0.000 0.411 240 R N 0.079 120.685 120.500 0.178 0.000 2.120 240 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 240 R C 2.066 178.473 176.300 0.179 0.000 1.123 240 R CA 1.083 57.270 56.100 0.146 0.000 0.975 240 R CB 0.154 30.483 30.300 0.049 0.000 0.866 240 R HN 0.247 nan 8.270 nan 0.000 0.446 241 E N 0.601 120.882 120.200 0.134 0.000 2.028 241 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 241 E C 1.922 178.659 176.600 0.228 0.000 0.988 241 E CA 0.883 57.327 56.400 0.073 0.000 0.799 241 E CB -0.421 29.323 29.700 0.072 0.000 0.755 241 E HN 0.196 nan 8.360 nan 0.000 0.447 242 L N 0.509 121.952 121.223 0.366 0.000 2.013 242 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 242 L C 2.329 179.415 176.870 0.360 0.000 1.073 242 L CA 1.633 56.735 54.840 0.437 0.000 0.753 242 L CB -0.784 41.557 42.059 0.471 0.000 0.890 242 L HN 0.098 nan 8.230 nan 0.000 0.432 243 F N -0.656 119.408 119.950 0.190 0.000 2.102 243 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 243 F C 2.633 178.490 175.800 0.096 0.000 1.105 243 F CA 1.989 60.065 58.000 0.128 0.000 1.239 243 F CB -0.458 38.608 39.000 0.109 0.000 0.991 243 F HN 0.434 nan 8.300 nan 0.000 0.474 244 H N -0.955 118.220 119.070 0.174 0.000 2.251 244 H HA -0.292 4.264 4.556 -0.000 0.000 0.294 244 H C 2.234 177.516 175.328 -0.076 0.000 1.078 244 H CA 2.689 58.715 56.048 -0.038 0.000 1.246 244 H CB -1.216 28.400 29.762 -0.244 0.000 1.358 244 H HN 0.472 nan 8.280 nan 0.000 0.488 245 W N 0.371 121.561 121.300 -0.183 0.000 2.289 245 W HA -0.312 4.348 4.660 -0.000 0.000 0.331 245 W C 2.958 179.329 176.519 -0.247 0.000 1.283 245 W CA 1.875 59.077 57.345 -0.239 0.000 1.252 245 W CB -0.739 28.698 29.460 -0.039 0.000 1.153 245 W HN 0.470 nan 8.180 nan 0.000 0.467 246 T N -3.656 110.952 114.554 0.090 0.000 3.007 246 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 246 T C 1.207 175.750 174.700 -0.262 0.000 1.107 246 T CA 1.631 63.683 62.100 -0.080 0.000 1.118 246 T CB -0.537 68.298 68.868 -0.055 0.000 0.889 246 T HN 0.301 nan 8.240 nan 0.000 0.506 247 T N -2.585 111.724 114.554 -0.408 0.000 3.046 247 T HA 0.395 4.745 4.350 -0.000 0.000 0.270 247 T C 1.310 175.796 174.700 -0.357 0.000 0.920 247 T CA -0.416 61.403 62.100 -0.470 0.000 0.874 247 T CB 0.158 68.562 68.868 -0.774 0.000 1.214 247 T HN 0.233 nan 8.240 nan 0.000 0.536 248 I N 1.846 122.203 120.570 -0.354 0.000 3.366 248 I HA 0.498 4.668 4.170 -0.000 0.000 0.267 248 I C 1.727 177.661 176.117 -0.304 0.000 1.149 248 I CA 0.054 61.191 61.300 -0.271 0.000 1.436 248 I CB -1.323 36.580 38.000 -0.162 0.000 1.379 248 I HN 0.343 nan 8.210 nan 0.000 0.460 249 A N 2.256 124.753 122.820 -0.539 0.000 2.547 249 A HA 0.215 4.535 4.320 -0.000 0.000 0.233 249 A C 0.913 178.483 177.584 -0.024 0.000 1.067 249 A CA 0.449 52.336 52.037 -0.250 0.000 0.763 249 A CB -0.457 18.585 19.000 0.070 0.000 1.007 249 A HN 0.538 nan 8.150 nan 0.000 0.506 250 T N -0.512 114.079 114.554 0.063 0.000 2.856 250 T HA 0.256 4.605 4.350 -0.000 0.000 0.306 250 T C 0.869 175.660 174.700 0.151 0.000 1.062 250 T CA 0.128 62.287 62.100 0.098 0.000 1.083 250 T CB 0.120 69.045 68.868 0.095 0.000 0.984 250 T HN 0.409 nan 8.240 nan 0.000 0.542 251 F N 1.832 121.754 119.950 -0.047 0.000 2.043 251 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 251 F C 2.030 177.812 175.800 -0.029 0.000 1.118 251 F CA 2.396 60.359 58.000 -0.062 0.000 1.202 251 F CB -0.734 38.221 39.000 -0.074 0.000 0.965 251 F HN 0.675 nan 8.300 nan 0.000 0.482 252 D N -0.221 120.284 120.400 0.176 0.000 2.104 252 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 252 D C 1.933 178.270 176.300 0.062 0.000 0.994 252 D CA 1.601 55.657 54.000 0.093 0.000 0.830 252 D CB -0.788 40.068 40.800 0.092 0.000 0.959 252 D HN 0.269 nan 8.370 nan 0.000 0.452 253 D N 0.425 120.889 120.400 0.107 0.000 2.092 253 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 253 D C 2.272 178.614 176.300 0.070 0.000 0.994 253 D CA 0.401 54.496 54.000 0.159 0.000 0.828 253 D CB -0.466 40.512 40.800 0.296 0.000 0.963 253 D HN 0.178 nan 8.370 nan 0.000 0.450 254 L N 0.773 122.020 121.223 0.041 0.000 1.989 254 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 254 L C 2.687 179.468 176.870 -0.148 0.000 1.071 254 L CA 1.333 56.111 54.840 -0.102 0.000 0.749 254 L CB -0.058 41.934 42.059 -0.112 0.000 0.890 254 L HN -0.034 nan 8.230 nan 0.000 0.431 255 R N -0.272 120.147 120.500 -0.136 0.000 2.112 255 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 255 R C 2.069 178.313 176.300 -0.093 0.000 1.137 255 R CA 1.712 57.740 56.100 -0.119 0.000 0.944 255 R CB -1.258 28.992 30.300 -0.084 0.000 0.857 255 R HN 0.597 nan 8.270 nan 0.000 0.435 256 G N 0.697 109.464 108.800 -0.056 0.000 2.480 256 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 256 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 256 G C 1.290 176.146 174.900 -0.073 0.000 1.200 256 G CA 0.714 45.792 45.100 -0.038 0.000 0.782 256 G HN 0.303 nan 8.290 nan 0.000 0.554 257 F N 1.521 121.269 119.950 -0.336 0.000 2.115 257 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 257 F C 2.412 178.003 175.800 -0.350 0.000 1.092 257 F CA 1.234 58.944 58.000 -0.483 0.000 1.245 257 F CB -0.378 37.949 39.000 -1.121 0.000 0.995 257 F HN 0.061 nan 8.300 nan 0.000 0.481 258 L N -0.157 120.831 121.223 -0.391 0.000 2.362 258 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 258 L C 0.843 177.539 176.870 -0.291 0.000 1.134 258 L CA 0.400 55.008 54.840 -0.385 0.000 0.807 258 L CB -0.795 41.133 42.059 -0.218 0.000 0.927 258 L HN 0.064 nan 8.230 nan 0.000 0.447 259 E N -0.044 120.025 120.200 -0.218 0.000 2.452 259 E HA 0.079 4.429 4.350 -0.000 0.000 0.261 259 E C 1.146 177.638 176.600 -0.180 0.000 0.987 259 E CA 0.634 56.941 56.400 -0.155 0.000 0.926 259 E CB 0.381 30.020 29.700 -0.101 0.000 0.934 259 E HN 0.320 nan 8.360 nan 0.000 0.452 260 G N 2.690 111.405 108.800 -0.143 0.000 2.299 260 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.237 260 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.237 260 G C 0.528 175.332 174.900 -0.159 0.000 1.027 260 G CA 0.352 45.371 45.100 -0.136 0.000 0.619 260 G HN 0.711 nan 8.290 nan 0.000 0.513 261 T N -0.450 113.979 114.554 -0.210 0.000 2.913 261 T HA 0.677 5.027 4.350 -0.000 0.000 0.287 261 T C 1.723 176.317 174.700 -0.178 0.000 1.008 261 T CA -0.029 61.940 62.100 -0.219 0.000 1.067 261 T CB 1.722 70.412 68.868 -0.295 0.000 0.996 261 T HN 0.345 nan 8.240 nan 0.000 0.513 262 L N 1.427 122.552 121.223 -0.163 0.000 2.137 262 L HA -0.127 4.212 4.340 -0.000 0.000 0.213 262 L C 2.919 179.687 176.870 -0.171 0.000 1.085 262 L CA 1.779 56.534 54.840 -0.142 0.000 0.760 262 L CB -0.743 41.239 42.059 -0.128 0.000 0.893 262 L HN 0.951 nan 8.230 nan 0.000 0.434 263 A N -1.043 121.652 122.820 -0.208 0.000 2.208 263 A HA -0.136 4.184 4.320 -0.000 0.000 0.209 263 A C 2.148 179.616 177.584 -0.193 0.000 1.161 263 A CA 0.783 52.661 52.037 -0.265 0.000 0.782 263 A CB -0.357 18.473 19.000 -0.284 0.000 0.816 263 A HN 0.477 nan 8.150 nan 0.000 0.477 264 E N 0.288 120.393 120.200 -0.157 0.000 2.068 264 E HA -0.236 4.114 4.350 -0.000 0.000 0.207 264 E C 1.984 178.534 176.600 -0.084 0.000 1.032 264 E CA 1.952 58.280 56.400 -0.119 0.000 0.839 264 E CB -0.135 29.495 29.700 -0.117 0.000 0.758 264 E HN 0.536 nan 8.360 nan 0.000 0.457 265 S N 0.126 115.773 115.700 -0.089 0.000 2.348 265 S HA -0.026 4.443 4.470 -0.000 0.000 0.219 265 S C 2.017 176.576 174.600 -0.067 0.000 1.033 265 S CA 0.726 58.888 58.200 -0.064 0.000 0.974 265 S CB -0.278 62.886 63.200 -0.059 0.000 0.868 265 S HN 0.259 nan 8.310 nan 0.000 0.459 266 L N 0.307 121.453 121.223 -0.128 0.000 2.113 266 L HA -0.215 4.125 4.340 -0.000 0.000 0.221 266 L C 1.405 178.217 176.870 -0.096 0.000 1.084 266 L CA 1.621 56.356 54.840 -0.175 0.000 0.787 266 L CB -0.589 41.265 42.059 -0.341 0.000 0.893 266 L HN 0.331 nan 8.230 nan 0.000 0.440 267 F N -0.354 119.532 119.950 -0.107 0.000 2.696 267 F HA 0.366 4.893 4.527 -0.000 0.000 0.296 267 F C 0.734 176.464 175.800 -0.117 0.000 1.181 267 F CA -0.599 57.318 58.000 -0.139 0.000 1.411 267 F CB 0.117 39.007 39.000 -0.184 0.000 1.014 267 F HN 0.055 nan 8.300 nan 0.000 0.512 268 A N -0.931 121.942 122.820 0.088 0.000 2.612 268 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 268 A C 0.457 178.058 177.584 0.029 0.000 1.075 268 A CA 0.084 52.149 52.037 0.046 0.000 0.680 268 A CB 1.110 20.125 19.000 0.024 0.000 1.279 268 A HN 0.347 nan 8.150 nan 0.000 0.411 269 G N -0.696 108.121 108.800 0.028 0.000 2.255 269 G HA2 0.306 4.266 3.960 -0.000 0.000 0.196 269 G HA3 0.306 4.266 3.960 -0.000 0.000 0.196 269 G C 0.370 175.283 174.900 0.021 0.000 0.998 269 G CA 0.802 45.914 45.100 0.019 0.000 0.656 269 G HN 2.635 nan 8.290 nan 0.000 0.490 270 S N -1.353 114.364 115.700 0.028 0.000 2.636 270 S HA 0.548 5.018 4.470 -0.000 0.000 0.268 270 S C 0.546 175.165 174.600 0.032 0.000 1.159 270 S CA 0.236 58.451 58.200 0.026 0.000 0.815 270 S CB 0.633 63.846 63.200 0.023 0.000 1.130 270 S HN 0.009 nan 8.310 nan 0.000 0.471 271 N N 0.752 119.467 118.700 0.026 0.000 2.188 271 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 271 N C 1.433 176.960 175.510 0.028 0.000 1.018 271 N CA 1.591 54.656 53.050 0.026 0.000 0.858 271 N CB -0.451 38.047 38.487 0.017 0.000 0.989 271 N HN 0.762 nan 8.380 nan 0.000 0.426 272 E N 1.659 121.876 120.200 0.028 0.000 2.058 272 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 272 E C 1.854 178.457 176.600 0.004 0.000 0.997 272 E CA 1.441 57.856 56.400 0.026 0.000 0.801 272 E CB -0.364 29.356 29.700 0.034 0.000 0.746 272 E HN 0.296 nan 8.360 nan 0.000 0.450 273 A N -0.083 122.748 122.820 0.018 0.000 1.883 273 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 273 A C 2.476 180.072 177.584 0.019 0.000 1.186 273 A CA 2.151 54.209 52.037 0.035 0.000 0.624 273 A CB -0.924 18.110 19.000 0.057 0.000 0.822 273 A HN 0.313 nan 8.150 nan 0.000 0.444 274 S N -0.527 115.201 115.700 0.047 0.000 2.370 274 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 274 S C 2.015 176.659 174.600 0.073 0.000 1.033 274 S CA 1.651 59.920 58.200 0.115 0.000 1.011 274 S CB -0.287 63.012 63.200 0.166 0.000 0.852 274 S HN 0.691 nan 8.310 nan 0.000 0.457 275 K N 1.594 122.008 120.400 0.024 0.000 2.009 275 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 275 K C 2.292 178.861 176.600 -0.051 0.000 1.049 275 K CA 1.371 57.665 56.287 0.011 0.000 0.929 275 K CB -0.505 32.013 32.500 0.030 0.000 0.714 275 K HN 0.263 nan 8.250 nan 0.000 0.440 276 A N 2.064 124.791 122.820 -0.156 0.000 1.903 276 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 276 A C 2.211 179.572 177.584 -0.371 0.000 1.191 276 A CA 1.851 53.627 52.037 -0.435 0.000 0.638 276 A CB -0.874 17.694 19.000 -0.720 0.000 0.823 276 A HN 0.504 nan 8.150 nan 0.000 0.451 277 L N -0.886 120.013 121.223 -0.541 0.000 1.994 277 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 277 L C 2.644 179.262 176.870 -0.419 0.000 1.071 277 L CA 2.409 56.672 54.840 -0.962 0.000 0.745 277 L CB -0.853 40.616 42.059 -0.982 0.000 0.892 277 L HN 0.425 nan 8.230 nan 0.000 0.431 278 T N -0.466 114.044 114.554 -0.073 0.000 2.759 278 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 278 T C 2.023 176.752 174.700 0.048 0.000 1.042 278 T CA 1.596 63.723 62.100 0.045 0.000 1.140 278 T CB -0.091 68.853 68.868 0.126 0.000 0.864 278 T HN 0.390 nan 8.240 nan 0.000 0.455 279 S N 1.258 116.972 115.700 0.024 0.000 2.343 279 S HA -0.069 4.401 4.470 -0.000 0.000 0.219 279 S C 2.618 177.285 174.600 0.112 0.000 1.033 279 S CA 1.048 59.269 58.200 0.035 0.000 1.014 279 S CB -0.715 62.545 63.200 0.099 0.000 0.915 279 S HN 0.611 nan 8.310 nan 0.000 0.435 280 A N 2.564 125.442 122.820 0.097 0.000 1.903 280 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 280 A C 2.163 179.743 177.584 -0.005 0.000 1.191 280 A CA 1.503 53.601 52.037 0.101 0.000 0.638 280 A CB -0.602 18.437 19.000 0.066 0.000 0.823 280 A HN 0.284 nan 8.150 nan 0.000 0.451 281 R N -1.180 119.242 120.500 -0.131 0.000 2.122 281 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 281 R C 1.941 178.124 176.300 -0.196 0.000 1.129 281 R CA 1.979 57.940 56.100 -0.232 0.000 0.925 281 R CB -1.405 28.671 30.300 -0.375 0.000 0.850 281 R HN 0.626 nan 8.270 nan 0.000 0.431 282 F N 0.796 120.690 119.950 -0.093 0.000 2.063 282 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 282 F C 2.707 178.482 175.800 -0.041 0.000 1.109 282 F CA 1.467 59.416 58.000 -0.084 0.000 1.212 282 F CB -0.809 38.107 39.000 -0.139 0.000 0.973 282 F HN -0.177 nan 8.300 nan 0.000 0.480 283 V N 0.078 120.102 119.914 0.183 0.000 2.215 283 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 283 V C 2.303 178.455 176.094 0.097 0.000 1.054 283 V CA 1.901 64.287 62.300 0.144 0.000 1.012 283 V CB -0.895 31.019 31.823 0.151 0.000 0.639 283 V HN 0.204 nan 8.190 nan 0.000 0.448 284 L N 1.100 122.354 121.223 0.051 0.000 2.081 284 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 284 L C 2.751 179.649 176.870 0.047 0.000 1.080 284 L CA 2.444 57.299 54.840 0.026 0.000 0.754 284 L CB -1.390 40.652 42.059 -0.029 0.000 0.893 284 L HN 0.653 nan 8.230 nan 0.000 0.433 285 S N -1.874 113.826 115.700 -0.000 0.000 2.442 285 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 285 S C 1.613 176.315 174.600 0.170 0.000 1.007 285 S CA 1.297 59.517 58.200 0.034 0.000 0.965 285 S CB -0.291 62.886 63.200 -0.039 0.000 0.773 285 S HN 0.463 nan 8.310 nan 0.000 0.504 286 D N 1.157 121.644 120.400 0.145 0.000 2.201 286 D HA 0.088 4.728 4.640 -0.000 0.000 0.209 286 D C 1.987 178.369 176.300 0.135 0.000 0.961 286 D CA 0.747 54.830 54.000 0.138 0.000 0.861 286 D CB -0.005 40.865 40.800 0.117 0.000 0.997 286 D HN 0.288 nan 8.370 nan 0.000 0.486 287 K N 1.011 121.491 120.400 0.134 0.000 2.007 287 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 287 K C 2.446 179.195 176.600 0.248 0.000 1.047 287 K CA 0.313 56.686 56.287 0.144 0.000 0.937 287 K CB -0.787 31.769 32.500 0.092 0.000 0.718 287 K HN 0.195 nan 8.250 nan 0.000 0.438 288 L N 1.061 122.443 121.223 0.266 0.000 2.083 288 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 288 L C -0.646 176.407 176.870 0.304 0.000 1.083 288 L CA 1.035 56.090 54.840 0.359 0.000 0.752 288 L CB -1.846 40.465 42.059 0.419 0.000 0.899 288 L HN 0.072 nan 8.230 nan 0.000 0.433 289 P HA -0.258 nan 4.420 nan 0.000 0.222 289 P C 1.434 178.718 177.300 -0.027 0.000 1.159 289 P CA 1.596 64.694 63.100 -0.004 0.000 0.920 289 P CB 0.027 31.770 31.700 0.072 0.000 0.793 290 E N -1.788 118.418 120.200 0.010 0.000 2.077 290 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 290 E C 2.096 178.659 176.600 -0.061 0.000 0.989 290 E CA 1.160 57.528 56.400 -0.054 0.000 0.800 290 E CB -1.020 28.587 29.700 -0.156 0.000 0.746 290 E HN 0.494 nan 8.360 nan 0.000 0.452 291 H N -0.117 118.970 119.070 0.029 0.000 2.422 291 H HA -0.073 4.483 4.556 -0.000 0.000 0.298 291 H C 2.191 177.578 175.328 0.098 0.000 1.098 291 H CA 1.226 57.336 56.048 0.103 0.000 1.315 291 H CB 0.052 29.886 29.762 0.119 0.000 1.382 291 H HN 0.007 nan 8.280 nan 0.000 0.523 292 V N 0.808 120.804 119.914 0.137 0.000 2.231 292 V HA -0.191 3.929 4.120 -0.000 0.000 0.240 292 V C 2.642 178.739 176.094 0.004 0.000 1.039 292 V CA 2.222 64.544 62.300 0.037 0.000 0.998 292 V CB -0.935 30.782 31.823 -0.176 0.000 0.639 292 V HN 0.548 nan 8.190 nan 0.000 0.451 293 T N -2.001 112.523 114.554 -0.050 0.000 3.202 293 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 293 T C 0.699 175.365 174.700 -0.056 0.000 1.183 293 T CA 0.506 62.572 62.100 -0.056 0.000 1.055 293 T CB -0.464 68.370 68.868 -0.056 0.000 0.898 293 T HN 0.124 nan 8.240 nan 0.000 0.555 294 M N 2.424 122.032 119.600 0.014 0.000 2.211 294 M HA 0.345 4.825 4.480 -0.000 0.000 0.356 294 M C -2.495 173.855 176.300 0.083 0.000 1.216 294 M CA -2.410 52.926 55.300 0.060 0.000 1.134 294 M CB 1.010 33.724 32.600 0.191 0.000 1.564 294 M HN -0.064 nan 8.290 nan 0.000 0.463 295 P HA 0.023 nan 4.420 nan 0.000 0.263 295 P C -1.388 175.988 177.300 0.126 0.000 1.195 295 P CA 0.035 63.175 63.100 0.066 0.000 0.762 295 P CB 0.100 31.829 31.700 0.047 0.000 0.799 296 D N 1.611 122.071 120.400 0.099 0.000 2.253 296 D HA 0.674 5.314 4.640 -0.000 0.000 0.249 296 D C 0.415 176.781 176.300 0.111 0.000 1.049 296 D CA -0.742 53.327 54.000 0.115 0.000 0.929 296 D CB 1.208 42.055 40.800 0.077 0.000 1.176 296 D HN 0.438 nan 8.370 nan 0.000 0.437 297 G N -0.142 108.738 108.800 0.134 0.000 2.561 297 G HA2 0.348 4.308 3.960 -0.000 0.000 0.310 297 G HA3 0.348 4.308 3.960 -0.000 0.000 0.310 297 G C -0.960 174.023 174.900 0.138 0.000 1.292 297 G CA -0.433 44.748 45.100 0.136 0.000 0.811 297 G HN 0.564 nan 8.290 nan 0.000 0.482 298 D N -0.956 119.533 120.400 0.147 0.000 2.395 298 D HA 0.168 4.808 4.640 -0.000 0.000 0.213 298 D C 0.495 176.897 176.300 0.171 0.000 1.110 298 D CA -0.647 53.419 54.000 0.109 0.000 0.835 298 D CB 0.028 40.860 40.800 0.054 0.000 0.965 298 D HN 0.153 nan 8.370 nan 0.000 0.505 299 F N 2.414 122.460 119.950 0.160 0.000 2.635 299 F HA 0.146 4.673 4.527 -0.000 0.000 0.379 299 F C 0.320 176.307 175.800 0.312 0.000 1.094 299 F CA 0.212 58.337 58.000 0.209 0.000 1.300 299 F CB 0.731 39.851 39.000 0.199 0.000 1.035 299 F HN -0.118 nan 8.300 nan 0.000 0.581 300 S N 7.114 122.587 115.700 -0.377 0.000 2.707 300 S HA 0.389 4.859 4.470 -0.000 0.000 0.312 300 S C 0.991 175.507 174.600 -0.140 0.000 1.116 300 S CA -0.859 57.326 58.200 -0.025 0.000 1.078 300 S CB 0.341 63.516 63.200 -0.042 0.000 0.997 300 S HN 0.699 nan 8.310 nan 0.000 0.477 301 I N 4.462 125.209 120.570 0.295 0.000 2.248 301 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 301 I C 2.657 178.965 176.117 0.317 0.000 1.107 301 I CA 1.220 62.745 61.300 0.374 0.000 1.373 301 I CB -0.174 38.008 38.000 0.304 0.000 1.055 301 I HN 0.654 nan 8.210 nan 0.000 0.418 302 R N 0.397 121.021 120.500 0.207 0.000 2.070 302 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 302 R C 2.523 178.882 176.300 0.098 0.000 1.138 302 R CA 1.956 58.147 56.100 0.152 0.000 0.936 302 R CB -0.616 29.738 30.300 0.089 0.000 0.839 302 R HN 0.286 nan 8.270 nan 0.000 0.429 303 S N 0.457 116.174 115.700 0.030 0.000 2.370 303 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 303 S C 1.419 176.019 174.600 -0.000 0.000 1.033 303 S CA 1.357 59.547 58.200 -0.016 0.000 1.011 303 S CB -0.461 62.697 63.200 -0.070 0.000 0.852 303 S HN 0.483 nan 8.310 nan 0.000 0.457 304 W N 2.584 123.769 121.300 -0.191 0.000 2.321 304 W HA -0.146 4.514 4.660 -0.000 0.000 0.306 304 W C 1.652 178.163 176.519 -0.013 0.000 1.217 304 W CA 1.215 58.486 57.345 -0.125 0.000 1.257 304 W CB -0.567 28.842 29.460 -0.085 0.000 1.145 304 W HN 0.199 nan 8.180 nan 0.000 0.509 305 L N 0.307 121.552 121.223 0.037 0.000 2.046 305 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 305 L C 2.403 179.150 176.870 -0.206 0.000 1.077 305 L CA 1.967 56.709 54.840 -0.164 0.000 0.747 305 L CB -0.987 41.121 42.059 0.082 0.000 0.896 305 L HN 0.045 nan 8.230 nan 0.000 0.432 306 E N -0.584 119.554 120.200 -0.104 0.000 2.204 306 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 306 E C 0.567 177.094 176.600 -0.122 0.000 0.989 306 E CA 0.376 56.723 56.400 -0.089 0.000 0.824 306 E CB -0.061 29.614 29.700 -0.043 0.000 0.756 306 E HN 0.284 nan 8.360 nan 0.000 0.477 307 D N 0.558 120.861 120.400 -0.161 0.000 2.338 307 D HA 0.022 4.662 4.640 -0.000 0.000 0.255 307 D C -1.898 174.282 176.300 -0.201 0.000 1.237 307 D CA -2.296 51.615 54.000 -0.148 0.000 0.883 307 D CB 1.301 42.029 40.800 -0.120 0.000 1.087 307 D HN -0.203 nan 8.370 nan 0.000 0.485 308 P HA -0.085 nan 4.420 nan 0.000 0.215 308 P C 0.514 177.749 177.300 -0.110 0.000 1.153 308 P CA 0.876 63.900 63.100 -0.126 0.000 0.853 308 P CB 0.231 31.885 31.700 -0.076 0.000 0.788 309 N N -0.818 117.838 118.700 -0.072 0.000 2.434 309 N HA 0.014 4.754 4.740 -0.000 0.000 0.196 309 N C 1.737 177.234 175.510 -0.022 0.000 1.183 309 N CA 0.681 53.713 53.050 -0.030 0.000 0.849 309 N CB -0.538 37.947 38.487 -0.004 0.000 0.992 309 N HN 0.172 nan 8.380 nan 0.000 0.460 310 G N 0.742 109.472 108.800 -0.116 0.000 2.469 310 G HA2 0.015 3.975 3.960 -0.000 0.000 0.220 310 G HA3 0.015 3.975 3.960 -0.000 0.000 0.220 310 G C 0.977 175.949 174.900 0.119 0.000 1.136 310 G CA 0.982 46.004 45.100 -0.130 0.000 0.759 310 G HN 0.586 nan 8.290 nan 0.000 0.562 311 G N -0.403 108.442 108.800 0.075 0.000 2.484 311 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.225 311 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.225 311 G C -0.501 174.657 174.900 0.429 0.000 1.250 311 G CA -0.015 45.238 45.100 0.255 0.000 0.926 311 G HN 0.623 nan 8.290 nan 0.000 0.581 312 N N -0.436 118.610 118.700 0.576 0.000 2.457 312 N HA 0.706 5.445 4.740 -0.000 0.000 0.290 312 N C -0.988 174.857 175.510 0.559 0.000 1.232 312 N CA -0.550 52.886 53.050 0.643 0.000 0.852 312 N CB 2.139 40.859 38.487 0.389 0.000 1.313 312 N HN 0.624 nan 8.380 nan 0.000 0.522 313 L N 1.468 122.807 121.223 0.193 0.000 2.376 313 L HA 0.504 4.843 4.340 -0.000 0.000 0.275 313 L C -1.551 175.230 176.870 -0.149 0.000 0.987 313 L CA -0.628 54.077 54.840 -0.226 0.000 0.828 313 L CB 0.739 42.235 42.059 -0.938 0.000 1.249 313 L HN 0.392 nan 8.230 nan 0.000 0.409 314 F N 5.355 125.216 119.950 -0.147 0.000 2.402 314 F HA 0.458 4.985 4.527 -0.000 0.000 0.355 314 F C 0.274 176.011 175.800 -0.106 0.000 1.123 314 F CA -0.556 57.414 58.000 -0.050 0.000 1.021 314 F CB 1.418 40.420 39.000 0.003 0.000 1.160 314 F HN 0.188 nan 8.300 nan 0.000 0.451 315 I N 3.929 124.568 120.570 0.115 0.000 2.297 315 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 315 I C 0.176 176.540 176.117 0.413 0.000 1.033 315 I CA -0.279 61.090 61.300 0.115 0.000 1.253 315 I CB 0.735 38.807 38.000 0.120 0.000 1.396 315 I HN 0.610 nan 8.210 nan 0.000 0.476 316 T N 2.115 116.915 114.554 0.411 0.000 2.926 316 T HA 0.809 5.159 4.350 -0.000 0.000 0.289 316 T C -1.010 174.086 174.700 0.659 0.000 1.054 316 T CA -0.749 61.636 62.100 0.475 0.000 1.015 316 T CB 2.198 71.203 68.868 0.228 0.000 1.167 316 T HN 0.759 nan 8.240 nan 0.000 0.526 317 W N -0.867 120.469 121.300 0.061 0.000 3.064 317 W HA 0.613 5.273 4.660 -0.000 0.000 0.328 317 W C -1.805 174.642 176.519 -0.120 0.000 1.210 317 W CA -1.288 56.057 57.345 0.000 0.000 1.178 317 W CB 0.865 30.349 29.460 0.041 0.000 1.416 317 W HN 0.739 nan 8.180 nan 0.000 0.568 318 R N 2.142 122.563 120.500 -0.131 0.000 2.234 318 R HA 0.129 4.469 4.340 -0.000 0.000 0.324 318 R C 1.005 177.223 176.300 -0.137 0.000 1.054 318 R CA -0.421 55.501 56.100 -0.297 0.000 0.912 318 R CB 1.362 31.425 30.300 -0.396 0.000 1.030 318 R HN 0.735 nan 8.270 nan 0.000 0.455 319 E N 1.676 121.745 120.200 -0.219 0.000 2.147 319 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 319 E C 1.024 177.628 176.600 0.007 0.000 1.005 319 E CA 1.922 58.272 56.400 -0.085 0.000 0.810 319 E CB 0.118 29.745 29.700 -0.121 0.000 0.736 319 E HN 0.638 nan 8.360 nan 0.000 0.460 320 D N -0.630 119.743 120.400 -0.044 0.000 2.378 320 D HA -0.167 4.473 4.640 -0.000 0.000 0.222 320 D C 1.341 177.629 176.300 -0.021 0.000 0.980 320 D CA 0.883 54.863 54.000 -0.033 0.000 0.907 320 D CB -0.079 40.686 40.800 -0.059 0.000 0.899 320 D HN 0.271 nan 8.370 nan 0.000 0.527 321 M N -0.646 118.959 119.600 0.008 0.000 2.306 321 M HA 0.297 4.776 4.480 -0.000 0.000 0.292 321 M C 1.844 178.192 176.300 0.079 0.000 1.018 321 M CA 0.078 55.377 55.300 -0.002 0.000 1.007 321 M CB 1.364 33.901 32.600 -0.105 0.000 1.510 321 M HN 0.077 nan 8.290 nan 0.000 0.537 322 G N 2.961 111.886 108.800 0.209 0.000 2.513 322 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 322 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 322 G C -0.592 174.312 174.900 0.005 0.000 1.160 322 G CA 0.941 46.172 45.100 0.218 0.000 0.767 322 G HN 0.324 nan 8.290 nan 0.000 0.571 323 P HA -0.058 nan 4.420 nan 0.000 0.216 323 P C 2.066 179.342 177.300 -0.040 0.000 1.153 323 P CA 1.974 65.067 63.100 -0.012 0.000 0.848 323 P CB -0.232 31.472 31.700 0.006 0.000 0.787 324 A N 0.024 122.822 122.820 -0.037 0.000 1.933 324 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 324 A C 2.330 179.865 177.584 -0.082 0.000 1.175 324 A CA 1.384 53.395 52.037 -0.043 0.000 0.628 324 A CB -1.459 17.518 19.000 -0.038 0.000 0.814 324 A HN 0.182 nan 8.150 nan 0.000 0.444 325 L N -1.783 119.358 121.223 -0.137 0.000 2.529 325 L HA 0.110 4.449 4.340 -0.000 0.000 0.223 325 L C 2.347 179.026 176.870 -0.317 0.000 1.113 325 L CA 0.327 55.024 54.840 -0.238 0.000 0.861 325 L CB -0.267 41.627 42.059 -0.275 0.000 1.012 325 L HN 0.416 nan 8.230 nan 0.000 0.461 326 R N 1.394 121.743 120.500 -0.251 0.000 2.134 326 R HA -0.197 4.143 4.340 -0.000 0.000 0.248 326 R C -0.473 175.714 176.300 -0.189 0.000 1.143 326 R CA 2.238 58.206 56.100 -0.221 0.000 0.957 326 R CB -1.011 29.216 30.300 -0.122 0.000 0.867 326 R HN 0.249 nan 8.270 nan 0.000 0.441 327 P HA -0.169 nan 4.420 nan 0.000 0.217 327 P C 1.555 178.749 177.300 -0.176 0.000 1.151 327 P CA 1.172 64.210 63.100 -0.103 0.000 0.828 327 P CB -0.085 31.592 31.700 -0.039 0.000 0.788 328 L N -0.373 120.634 121.223 -0.360 0.000 1.976 328 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 328 L C 2.803 179.236 176.870 -0.729 0.000 1.071 328 L CA 1.595 56.012 54.840 -0.705 0.000 0.746 328 L CB -0.716 40.815 42.059 -0.880 0.000 0.890 328 L HN -0.187 nan 8.230 nan 0.000 0.432 329 I N -0.764 119.473 120.570 -0.556 0.000 2.151 329 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 329 I C 2.577 178.626 176.117 -0.113 0.000 1.080 329 I CA 1.524 62.662 61.300 -0.270 0.000 1.339 329 I CB -0.466 37.318 38.000 -0.360 0.000 1.039 329 I HN 0.228 nan 8.210 nan 0.000 0.409 330 S N 0.657 116.276 115.700 -0.135 0.000 2.383 330 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 330 S C 2.225 176.833 174.600 0.013 0.000 1.030 330 S CA 1.336 59.515 58.200 -0.036 0.000 1.002 330 S CB -0.436 62.738 63.200 -0.043 0.000 0.829 330 S HN 0.569 nan 8.310 nan 0.000 0.467 331 A N 1.780 124.580 122.820 -0.033 0.000 1.841 331 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 331 A C 1.863 179.530 177.584 0.138 0.000 1.199 331 A CA 1.449 53.518 52.037 0.053 0.000 0.621 331 A CB -1.104 17.934 19.000 0.064 0.000 0.835 331 A HN 0.589 nan 8.150 nan 0.000 0.445 332 W N 0.101 121.379 121.300 -0.036 0.000 2.298 332 W HA -0.207 4.453 4.660 -0.000 0.000 0.328 332 W C 2.477 178.979 176.519 -0.029 0.000 1.259 332 W CA 1.541 58.812 57.345 -0.124 0.000 1.251 332 W CB -1.560 27.757 29.460 -0.239 0.000 1.161 332 W HN 0.200 nan 8.180 nan 0.000 0.466 333 V N 0.512 120.567 119.914 0.234 0.000 2.317 333 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 333 V C 2.211 178.393 176.094 0.147 0.000 1.065 333 V CA 2.438 64.832 62.300 0.157 0.000 1.049 333 V CB -1.036 30.862 31.823 0.125 0.000 0.651 333 V HN 0.191 nan 8.190 nan 0.000 0.450 334 D N -0.102 120.386 120.400 0.147 0.000 2.097 334 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 334 D C 2.174 178.573 176.300 0.165 0.000 0.984 334 D CA 1.588 55.667 54.000 0.133 0.000 0.826 334 D CB 0.092 40.960 40.800 0.113 0.000 0.973 334 D HN 0.297 nan 8.370 nan 0.000 0.460 335 V N 1.048 121.113 119.914 0.251 0.000 2.231 335 V HA -0.316 3.803 4.120 -0.000 0.000 0.250 335 V C 2.873 179.142 176.094 0.292 0.000 1.058 335 V CA 1.699 64.221 62.300 0.369 0.000 1.022 335 V CB -0.781 31.317 31.823 0.459 0.000 0.640 335 V HN 0.110 nan 8.190 nan 0.000 0.445 336 V N -1.028 119.025 119.914 0.231 0.000 2.250 336 V HA -0.383 3.737 4.120 -0.000 0.000 0.250 336 V C 2.548 178.730 176.094 0.146 0.000 1.060 336 V CA 2.456 64.873 62.300 0.194 0.000 1.030 336 V CB -1.048 30.870 31.823 0.159 0.000 0.643 336 V HN 0.696 nan 8.190 nan 0.000 0.445 337 C N 0.036 119.402 119.300 0.111 0.000 2.385 337 C HA -0.224 4.236 4.460 -0.000 0.000 0.275 337 C C 2.952 177.974 174.990 0.053 0.000 1.207 337 C CA 2.028 61.083 59.018 0.061 0.000 1.760 337 C CB -1.389 26.381 27.740 0.050 0.000 2.051 337 C HN 0.736 nan 8.230 nan 0.000 0.467 338 T N -0.089 114.504 114.554 0.066 0.000 2.852 338 T HA -0.077 4.273 4.350 -0.000 0.000 0.256 338 T C 1.942 176.697 174.700 0.092 0.000 1.038 338 T CA 1.472 63.593 62.100 0.035 0.000 1.141 338 T CB -0.429 68.403 68.868 -0.060 0.000 0.869 338 T HN 0.528 nan 8.240 nan 0.000 0.439 339 S N 2.525 118.331 115.700 0.176 0.000 2.380 339 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 339 S C 2.177 176.867 174.600 0.150 0.000 1.043 339 S CA 1.699 60.035 58.200 0.227 0.000 1.038 339 S CB -0.742 62.636 63.200 0.297 0.000 0.872 339 S HN 0.734 nan 8.310 nan 0.000 0.456 340 I N -0.398 120.241 120.570 0.115 0.000 2.530 340 I HA -0.079 4.091 4.170 -0.000 0.000 0.257 340 I C 1.721 177.867 176.117 0.049 0.000 1.179 340 I CA 1.164 62.506 61.300 0.071 0.000 1.440 340 I CB -0.476 37.550 38.000 0.044 0.000 1.087 340 I HN 0.069 nan 8.210 nan 0.000 0.440 341 L N 0.358 121.614 121.223 0.055 0.000 2.376 341 L HA 0.010 4.350 4.340 -0.000 0.000 0.219 341 L C 2.182 179.083 176.870 0.052 0.000 1.133 341 L CA 1.354 56.217 54.840 0.038 0.000 0.816 341 L CB -0.624 41.453 42.059 0.031 0.000 0.933 341 L HN 0.301 nan 8.230 nan 0.000 0.449 342 S N -1.496 114.252 115.700 0.081 0.000 2.511 342 S HA 0.251 4.721 4.470 -0.000 0.000 0.214 342 S C 0.757 175.394 174.600 0.062 0.000 0.997 342 S CA -0.417 57.837 58.200 0.091 0.000 0.908 342 S CB 0.083 63.369 63.200 0.144 0.000 0.803 342 S HN 0.140 nan 8.310 nan 0.000 0.504 343 L N 3.994 125.245 121.223 0.047 0.000 2.514 343 L HA 0.140 4.480 4.340 -0.000 0.000 0.280 343 L C -1.889 174.987 176.870 0.010 0.000 1.223 343 L CA -1.317 53.537 54.840 0.024 0.000 0.864 343 L CB -0.221 41.844 42.059 0.010 0.000 1.118 343 L HN 0.068 nan 8.230 nan 0.000 0.494 344 P HA 0.006 nan 4.420 nan 0.000 0.268 344 P C -0.774 176.519 177.300 -0.011 0.000 1.204 344 P CA -0.460 62.638 63.100 -0.003 0.000 0.768 344 P CB 0.366 32.062 31.700 -0.006 0.000 0.842 345 E N 2.086 122.279 120.200 -0.012 0.000 2.585 345 E HA -0.037 4.313 4.350 -0.000 0.000 0.252 345 E C -0.353 176.234 176.600 -0.022 0.000 0.981 345 E CA 0.363 56.753 56.400 -0.018 0.000 0.943 345 E CB 0.219 29.909 29.700 -0.017 0.000 0.923 345 E HN 0.395 nan 8.360 nan 0.000 0.486 346 E N 4.116 124.300 120.200 -0.027 0.000 2.642 346 E HA 0.286 4.636 4.350 -0.000 0.000 0.284 346 E C -2.402 174.178 176.600 -0.034 0.000 1.039 346 E CA -2.300 54.082 56.400 -0.030 0.000 0.777 346 E CB 1.363 31.043 29.700 -0.034 0.000 1.473 346 E HN 0.125 nan 8.360 nan 0.000 0.388 347 P HA -0.169 nan 4.420 nan 0.000 0.221 347 P C 0.327 177.607 177.300 -0.034 0.000 1.141 347 P CA 1.074 64.154 63.100 -0.033 0.000 0.794 347 P CB 0.300 31.983 31.700 -0.028 0.000 0.764 348 K N -1.316 119.066 120.400 -0.031 0.000 2.404 348 K HA 0.062 4.382 4.320 -0.000 0.000 0.194 348 K C 0.960 177.542 176.600 -0.030 0.000 1.023 348 K CA -0.088 56.183 56.287 -0.027 0.000 1.094 348 K CB 0.315 32.802 32.500 -0.023 0.000 0.841 348 K HN 0.181 nan 8.250 nan 0.000 0.523 349 R N 1.848 122.324 120.500 -0.040 0.000 2.438 349 R HA 0.133 4.473 4.340 -0.000 0.000 0.287 349 R C -0.608 175.660 176.300 -0.054 0.000 1.077 349 R CA 0.033 56.104 56.100 -0.048 0.000 1.034 349 R CB 0.541 30.807 30.300 -0.057 0.000 0.993 349 R HN -0.031 nan 8.270 nan 0.000 0.459 350 R N 5.110 125.586 120.500 -0.040 0.000 2.521 350 R HA 0.315 4.655 4.340 -0.000 0.000 0.295 350 R C -1.126 175.154 176.300 -0.033 0.000 1.183 350 R CA -0.581 55.489 56.100 -0.050 0.000 0.957 350 R CB 1.424 31.746 30.300 0.037 0.000 1.171 350 R HN 0.443 nan 8.270 nan 0.000 0.494 351 L N 2.861 123.998 121.223 -0.142 0.000 2.329 351 L HA 0.549 4.889 4.340 -0.000 0.000 0.279 351 L C -1.196 175.505 176.870 -0.281 0.000 1.014 351 L CA -0.791 53.996 54.840 -0.087 0.000 0.814 351 L CB 1.446 43.475 42.059 -0.051 0.000 1.257 351 L HN 0.548 nan 8.230 nan 0.000 0.424 352 W N 5.355 126.606 121.300 -0.081 0.000 2.529 352 W HA 0.511 5.171 4.660 -0.000 0.000 0.321 352 W C -0.598 175.750 176.519 -0.284 0.000 1.047 352 W CA -0.258 56.938 57.345 -0.249 0.000 1.216 352 W CB 1.440 30.717 29.460 -0.305 0.000 1.357 352 W HN 0.189 nan 8.180 nan 0.000 0.489 353 L N 4.412 125.507 121.223 -0.212 0.000 2.316 353 L HA 0.473 4.813 4.340 -0.000 0.000 0.280 353 L C -1.418 175.338 176.870 -0.191 0.000 1.006 353 L CA -0.797 53.974 54.840 -0.114 0.000 0.836 353 L CB 0.413 42.437 42.059 -0.058 0.000 1.221 353 L HN 0.261 nan 8.230 nan 0.000 0.418 354 F N 5.711 125.772 119.950 0.184 0.000 2.334 354 F HA 0.409 4.936 4.527 -0.000 0.000 0.367 354 F C 0.356 176.248 175.800 0.152 0.000 1.115 354 F CA -0.495 57.607 58.000 0.171 0.000 1.116 354 F CB 1.034 40.108 39.000 0.123 0.000 1.230 354 F HN 0.229 nan 8.300 nan 0.000 0.484 355 I N 4.300 125.061 120.570 0.319 0.000 2.442 355 I HA 0.134 4.304 4.170 -0.000 0.000 0.279 355 I C 0.752 177.016 176.117 0.244 0.000 1.081 355 I CA -0.545 60.905 61.300 0.250 0.000 1.197 355 I CB 0.710 38.829 38.000 0.198 0.000 1.394 355 I HN 0.503 nan 8.210 nan 0.000 0.488 356 D N 3.820 124.368 120.400 0.247 0.000 2.133 356 D HA -0.237 4.403 4.640 -0.000 0.000 0.192 356 D C 0.346 176.736 176.300 0.150 0.000 1.001 356 D CA 1.762 55.876 54.000 0.189 0.000 0.844 356 D CB 0.245 41.142 40.800 0.161 0.000 0.944 356 D HN 0.318 nan 8.370 nan 0.000 0.447 357 E N -0.301 119.996 120.200 0.161 0.000 2.518 357 E HA 0.164 4.514 4.350 -0.000 0.000 0.240 357 E C 0.714 177.387 176.600 0.122 0.000 0.996 357 E CA -0.586 55.887 56.400 0.122 0.000 0.768 357 E CB 1.439 31.212 29.700 0.122 0.000 1.329 357 E HN 0.070 nan 8.360 nan 0.000 0.408 358 L N 3.146 124.426 121.223 0.095 0.000 2.021 358 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 358 L C 1.862 178.813 176.870 0.136 0.000 1.074 358 L CA 2.740 57.640 54.840 0.100 0.000 0.760 358 L CB -0.464 41.609 42.059 0.023 0.000 0.889 358 L HN 0.527 nan 8.230 nan 0.000 0.433 359 A N -1.983 120.902 122.820 0.108 0.000 2.125 359 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 359 A C 2.249 179.900 177.584 0.111 0.000 1.156 359 A CA 1.594 53.708 52.037 0.129 0.000 0.671 359 A CB -0.669 18.382 19.000 0.085 0.000 0.794 359 A HN 0.573 nan 8.150 nan 0.000 0.459 360 S N -0.559 115.204 115.700 0.105 0.000 2.496 360 S HA 0.218 4.688 4.470 -0.000 0.000 0.224 360 S C 0.770 175.404 174.600 0.057 0.000 0.996 360 S CA 0.053 58.306 58.200 0.088 0.000 0.927 360 S CB -0.221 63.052 63.200 0.122 0.000 0.774 360 S HN 0.483 nan 8.310 nan 0.000 0.524 361 L N 1.213 122.480 121.223 0.074 0.000 2.488 361 L HA 0.341 4.681 4.340 -0.000 0.000 0.249 361 L C 1.045 177.923 176.870 0.014 0.000 1.151 361 L CA -0.773 54.088 54.840 0.035 0.000 0.806 361 L CB 0.315 42.418 42.059 0.073 0.000 1.261 361 L HN 0.121 nan 8.230 nan 0.000 0.484 362 E N 0.318 120.501 120.200 -0.029 0.000 2.816 362 E HA 0.027 4.377 4.350 -0.000 0.000 0.260 362 E C -0.400 176.078 176.600 -0.204 0.000 1.414 362 E CA -0.378 55.966 56.400 -0.094 0.000 1.074 362 E CB 0.403 30.057 29.700 -0.076 0.000 1.123 362 E HN 0.273 nan 8.360 nan 0.000 0.664 363 K N 1.863 122.042 120.400 -0.368 0.000 2.171 363 K HA 0.130 4.450 4.320 -0.000 0.000 0.274 363 K C -0.276 176.159 176.600 -0.275 0.000 1.110 363 K CA -0.126 55.697 56.287 -0.773 0.000 0.952 363 K CB -0.521 31.596 32.500 -0.638 0.000 1.309 363 K HN 0.295 nan 8.250 nan 0.000 0.414 364 L N 3.385 124.612 121.223 0.007 0.000 2.540 364 L HA -0.059 4.281 4.340 -0.000 0.000 0.276 364 L C 1.533 178.486 176.870 0.137 0.000 1.212 364 L CA -0.235 54.684 54.840 0.131 0.000 0.893 364 L CB 0.714 42.898 42.059 0.209 0.000 1.138 364 L HN 0.736 nan 8.230 nan 0.000 0.491 365 A N 2.450 125.311 122.820 0.069 0.000 1.968 365 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 365 A C 2.011 179.624 177.584 0.049 0.000 1.169 365 A CA 1.574 53.641 52.037 0.049 0.000 0.638 365 A CB -0.093 18.917 19.000 0.017 0.000 0.812 365 A HN 0.792 nan 8.150 nan 0.000 0.446 366 S N -0.778 114.950 115.700 0.048 0.000 2.505 366 S HA 0.200 4.670 4.470 -0.000 0.000 0.216 366 S C 1.578 176.191 174.600 0.022 0.000 1.018 366 S CA -0.015 58.200 58.200 0.025 0.000 0.911 366 S CB -0.150 63.057 63.200 0.011 0.000 0.818 366 S HN 0.428 nan 8.310 nan 0.000 0.497 367 L N 2.079 123.329 121.223 0.045 0.000 2.085 367 L HA -0.319 4.021 4.340 -0.000 0.000 0.218 367 L C 2.628 179.473 176.870 -0.041 0.000 1.080 367 L CA 2.035 56.882 54.840 0.011 0.000 0.776 367 L CB -0.930 41.165 42.059 0.060 0.000 0.891 367 L HN 0.420 nan 8.230 nan 0.000 0.437 368 A N 0.106 122.921 122.820 -0.009 0.000 1.852 368 A HA -0.320 4.000 4.320 -0.000 0.000 0.217 368 A C 1.860 179.414 177.584 -0.050 0.000 1.215 368 A CA 2.353 54.373 52.037 -0.029 0.000 0.641 368 A CB -1.011 17.992 19.000 0.006 0.000 0.838 368 A HN 0.582 nan 8.150 nan 0.000 0.450 369 D N -0.136 120.245 120.400 -0.032 0.000 2.144 369 D HA -0.065 4.575 4.640 -0.000 0.000 0.199 369 D C 2.220 178.490 176.300 -0.050 0.000 0.984 369 D CA 1.393 55.372 54.000 -0.035 0.000 0.834 369 D CB -0.455 40.331 40.800 -0.023 0.000 0.955 369 D HN 0.476 nan 8.370 nan 0.000 0.465 370 A N 1.277 124.061 122.820 -0.061 0.000 1.917 370 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 370 A C 2.333 179.831 177.584 -0.144 0.000 1.182 370 A CA 1.075 53.063 52.037 -0.083 0.000 0.633 370 A CB -0.848 18.102 19.000 -0.083 0.000 0.819 370 A HN 0.226 nan 8.150 nan 0.000 0.448 371 L N -1.232 119.855 121.223 -0.226 0.000 2.552 371 L HA -0.023 4.317 4.340 -0.000 0.000 0.227 371 L C 1.937 178.771 176.870 -0.060 0.000 1.146 371 L CA 1.168 55.791 54.840 -0.362 0.000 0.858 371 L CB -0.157 41.605 42.059 -0.495 0.000 0.969 371 L HN 0.321 nan 8.230 nan 0.000 0.451 372 T N -1.660 112.866 114.554 -0.046 0.000 2.955 372 T HA 0.094 4.444 4.350 -0.000 0.000 0.251 372 T C 1.434 176.123 174.700 -0.017 0.000 1.002 372 T CA 0.270 62.358 62.100 -0.019 0.000 0.970 372 T CB 0.497 69.348 68.868 -0.028 0.000 1.091 372 T HN 0.211 nan 8.240 nan 0.000 0.495 373 K N 0.391 120.779 120.400 -0.021 0.000 2.438 373 K HA 0.288 4.608 4.320 -0.000 0.000 0.206 373 K C 1.665 178.250 176.600 -0.024 0.000 1.081 373 K CA -0.038 56.235 56.287 -0.024 0.000 1.053 373 K CB 0.902 33.388 32.500 -0.024 0.000 0.908 373 K HN 0.118 nan 8.250 nan 0.000 0.556 374 G N 1.448 110.236 108.800 -0.020 0.000 3.124 374 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.212 374 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.212 374 G C 1.148 176.019 174.900 -0.048 0.000 1.181 374 G CA -0.184 44.900 45.100 -0.027 0.000 0.803 374 G HN 0.086 nan 8.290 nan 0.000 0.529 375 R N 0.594 121.060 120.500 -0.057 0.000 2.075 375 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 375 R C 2.135 178.387 176.300 -0.081 0.000 1.126 375 R CA 1.149 57.193 56.100 -0.092 0.000 0.963 375 R CB -0.162 30.084 30.300 -0.090 0.000 0.858 375 R HN 0.237 nan 8.270 nan 0.000 0.435 376 K N -0.207 120.158 120.400 -0.058 0.000 2.057 376 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 376 K C 1.904 178.474 176.600 -0.051 0.000 1.050 376 K CA 1.302 57.559 56.287 -0.050 0.000 0.935 376 K CB -0.068 32.410 32.500 -0.036 0.000 0.715 376 K HN 0.184 nan 8.250 nan 0.000 0.439 377 A N 0.391 123.182 122.820 -0.048 0.000 2.168 377 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 377 A C 1.242 178.784 177.584 -0.071 0.000 1.152 377 A CA 1.099 53.108 52.037 -0.046 0.000 0.716 377 A CB -0.444 18.537 19.000 -0.031 0.000 0.794 377 A HN 0.456 nan 8.150 nan 0.000 0.465 378 G N -1.170 107.574 108.800 -0.093 0.000 2.212 378 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.255 378 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.255 378 G C -0.023 174.764 174.900 -0.189 0.000 1.062 378 G CA 0.259 45.278 45.100 -0.135 0.000 0.815 378 G HN 0.597 nan 8.290 nan 0.000 0.497 379 L N -0.287 120.840 121.223 -0.159 0.000 2.349 379 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 379 L C 0.575 177.293 176.870 -0.254 0.000 1.115 379 L CA -0.578 54.157 54.840 -0.174 0.000 0.820 379 L CB 0.594 42.608 42.059 -0.076 0.000 1.135 379 L HN 0.304 nan 8.230 nan 0.000 0.445 380 R N 3.856 124.090 120.500 -0.442 0.000 2.473 380 R HA 0.466 4.806 4.340 -0.000 0.000 0.303 380 R C -1.374 174.701 176.300 -0.375 0.000 1.002 380 R CA -0.603 55.113 56.100 -0.640 0.000 0.884 380 R CB 2.057 31.333 30.300 -1.707 0.000 1.173 380 R HN 0.332 nan 8.270 nan 0.000 0.464 381 V N 3.788 123.715 119.914 0.021 0.000 2.435 381 V HA 0.427 4.547 4.120 -0.000 0.000 0.290 381 V C -0.214 175.965 176.094 0.142 0.000 1.030 381 V CA -0.789 61.466 62.300 -0.076 0.000 0.881 381 V CB 1.943 33.543 31.823 -0.371 0.000 0.983 381 V HN 0.413 nan 8.190 nan 0.000 0.445 382 V N 4.249 124.263 119.914 0.167 0.000 2.407 382 V HA 0.829 4.949 4.120 -0.000 0.000 0.291 382 V C 0.182 176.501 176.094 0.374 0.000 1.018 382 V CA -0.308 62.213 62.300 0.368 0.000 0.842 382 V CB 1.502 33.607 31.823 0.469 0.000 0.996 382 V HN 1.024 nan 8.190 nan 0.000 0.426 383 A N 3.666 126.691 122.820 0.342 0.000 2.380 383 A HA 0.989 5.309 4.320 -0.000 0.000 0.315 383 A C 0.057 177.669 177.584 0.045 0.000 1.101 383 A CA -0.245 51.892 52.037 0.167 0.000 0.771 383 A CB 1.939 20.983 19.000 0.072 0.000 1.287 383 A HN 1.011 nan 8.150 nan 0.000 0.436 384 G N 0.092 108.923 108.800 0.051 0.000 2.453 384 G HA2 0.628 4.588 3.960 -0.000 0.000 0.323 384 G HA3 0.628 4.588 3.960 -0.000 0.000 0.323 384 G C -1.416 173.478 174.900 -0.010 0.000 1.198 384 G CA -0.372 44.742 45.100 0.023 0.000 0.959 384 G HN 0.506 nan 8.290 nan 0.000 0.482 385 L N -0.214 120.993 121.223 -0.026 0.000 2.469 385 L HA 0.511 4.851 4.340 -0.000 0.000 0.256 385 L C 0.543 177.406 176.870 -0.010 0.000 1.006 385 L CA -0.628 54.197 54.840 -0.025 0.000 0.832 385 L CB 1.605 43.624 42.059 -0.067 0.000 1.421 385 L HN 0.770 nan 8.230 nan 0.000 0.410 386 Q N -0.182 119.618 119.800 -0.001 0.000 2.558 386 Q HA 0.341 4.681 4.340 -0.000 0.000 0.186 386 Q C -0.382 175.617 176.000 -0.002 0.000 0.894 386 Q CA -0.013 55.792 55.803 0.003 0.000 0.830 386 Q CB 0.933 29.678 28.738 0.012 0.000 1.107 386 Q HN 0.697 nan 8.270 nan 0.000 0.620 387 S N 0.843 116.545 115.700 0.002 0.000 2.508 387 S HA 0.108 4.578 4.470 -0.000 0.000 0.284 387 S C 0.777 175.376 174.600 -0.002 0.000 1.192 387 S CA 0.016 58.217 58.200 0.001 0.000 1.070 387 S CB 1.603 64.806 63.200 0.005 0.000 1.004 387 S HN 0.597 nan 8.310 nan 0.000 0.493 388 T N -0.249 114.301 114.554 -0.007 0.000 2.897 388 T HA -0.156 4.194 4.350 -0.000 0.000 0.271 388 T C 1.919 176.621 174.700 0.004 0.000 1.084 388 T CA 1.357 63.452 62.100 -0.008 0.000 1.123 388 T CB -0.531 68.330 68.868 -0.012 0.000 0.865 388 T HN 0.631 nan 8.240 nan 0.000 0.496 389 S N 1.442 117.147 115.700 0.007 0.000 2.453 389 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 389 S C 2.050 176.664 174.600 0.023 0.000 1.005 389 S CA 0.458 58.666 58.200 0.014 0.000 0.949 389 S CB -0.483 62.723 63.200 0.010 0.000 0.774 389 S HN 0.669 nan 8.310 nan 0.000 0.510 390 Q N 0.723 120.539 119.800 0.025 0.000 1.965 390 Q HA 0.052 4.392 4.340 -0.000 0.000 0.200 390 Q C 2.243 178.280 176.000 0.062 0.000 0.981 390 Q CA 1.393 57.218 55.803 0.038 0.000 0.834 390 Q CB -0.513 28.247 28.738 0.037 0.000 0.900 390 Q HN 0.459 nan 8.270 nan 0.000 0.426 391 L N 1.573 122.835 121.223 0.065 0.000 2.081 391 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 391 L C 1.599 178.551 176.870 0.135 0.000 1.080 391 L CA 1.850 56.758 54.840 0.112 0.000 0.754 391 L CB -0.465 41.614 42.059 0.033 0.000 0.893 391 L HN 0.175 nan 8.230 nan 0.000 0.433 392 D N -0.453 119.991 120.400 0.074 0.000 2.092 392 D HA -0.244 4.396 4.640 -0.000 0.000 0.193 392 D C 1.839 178.180 176.300 0.069 0.000 0.994 392 D CA 1.705 55.745 54.000 0.066 0.000 0.828 392 D CB -0.255 40.566 40.800 0.035 0.000 0.963 392 D HN 0.470 nan 8.370 nan 0.000 0.450 393 D N -0.413 120.017 120.400 0.050 0.000 2.182 393 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 393 D C 1.939 178.254 176.300 0.024 0.000 0.986 393 D CA 0.584 54.602 54.000 0.030 0.000 0.847 393 D CB 0.237 41.050 40.800 0.022 0.000 0.942 393 D HN 0.003 nan 8.370 nan 0.000 0.467 394 V N -0.644 119.303 119.914 0.053 0.000 2.331 394 V HA -0.154 3.966 4.120 -0.000 0.000 0.242 394 V C 1.516 177.554 176.094 -0.094 0.000 1.034 394 V CA 1.289 63.581 62.300 -0.013 0.000 1.027 394 V CB -0.582 31.262 31.823 0.034 0.000 0.667 394 V HN 0.227 nan 8.190 nan 0.000 0.457 395 Y N 0.545 120.845 120.300 -0.001 0.000 2.482 395 Y HA 0.512 5.062 4.550 -0.000 0.000 0.270 395 Y C 1.302 177.198 175.900 -0.007 0.000 1.152 395 Y CA 0.384 58.483 58.100 -0.002 0.000 1.292 395 Y CB 0.004 38.467 38.460 0.006 0.000 1.070 395 Y HN 0.368 nan 8.280 nan 0.000 0.528 396 G N -0.426 108.444 108.800 0.117 0.000 2.785 396 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 396 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 396 G C 0.482 175.424 174.900 0.070 0.000 1.155 396 G CA -0.475 44.663 45.100 0.063 0.000 0.760 396 G HN -0.002 nan 8.290 nan 0.000 0.624 397 V N 2.773 122.711 119.914 0.041 0.000 2.233 397 V HA -0.292 3.828 4.120 -0.000 0.000 0.252 397 V C 3.105 179.217 176.094 0.029 0.000 1.063 397 V CA 2.841 65.159 62.300 0.031 0.000 1.032 397 V CB -0.515 31.318 31.823 0.017 0.000 0.645 397 V HN 0.814 nan 8.190 nan 0.000 0.446 398 K N -0.334 120.082 120.400 0.026 0.000 1.991 398 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 398 K C 2.171 178.790 176.600 0.031 0.000 1.049 398 K CA 2.030 58.330 56.287 0.022 0.000 0.932 398 K CB -0.511 32.000 32.500 0.017 0.000 0.717 398 K HN 0.597 nan 8.250 nan 0.000 0.441 399 E N 0.181 120.412 120.200 0.052 0.000 2.077 399 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 399 E C 1.880 178.506 176.600 0.044 0.000 0.989 399 E CA 1.314 57.757 56.400 0.073 0.000 0.800 399 E CB -0.087 29.699 29.700 0.144 0.000 0.746 399 E HN 0.332 nan 8.360 nan 0.000 0.452 400 A N 0.749 123.602 122.820 0.055 0.000 1.883 400 A HA -0.325 3.995 4.320 -0.000 0.000 0.217 400 A C 2.154 179.722 177.584 -0.027 0.000 1.186 400 A CA 1.951 53.984 52.037 -0.007 0.000 0.624 400 A CB -0.793 18.227 19.000 0.034 0.000 0.822 400 A HN 0.400 nan 8.150 nan 0.000 0.444 401 Q N -0.809 118.991 119.800 -0.001 0.000 2.029 401 Q HA -0.225 4.115 4.340 -0.000 0.000 0.209 401 Q C 2.132 178.134 176.000 0.004 0.000 0.999 401 Q CA 2.699 58.503 55.803 0.000 0.000 0.857 401 Q CB -0.460 28.282 28.738 0.007 0.000 0.926 401 Q HN 0.633 nan 8.270 nan 0.000 0.415 402 T N 1.744 116.301 114.554 0.005 0.000 2.635 402 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 402 T C 1.777 176.484 174.700 0.011 0.000 1.040 402 T CA 1.421 63.526 62.100 0.009 0.000 1.156 402 T CB -0.483 68.389 68.868 0.007 0.000 0.863 402 T HN 0.226 nan 8.240 nan 0.000 0.430 403 L N 1.163 122.371 121.223 -0.025 0.000 1.971 403 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 403 L C 2.572 179.499 176.870 0.094 0.000 1.072 403 L CA 1.823 56.641 54.840 -0.036 0.000 0.758 403 L CB -0.521 41.396 42.059 -0.237 0.000 0.889 403 L HN 0.121 nan 8.230 nan 0.000 0.433 404 R N -1.065 119.449 120.500 0.023 0.000 2.096 404 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 404 R C 2.218 178.611 176.300 0.154 0.000 1.127 404 R CA 1.221 57.339 56.100 0.030 0.000 0.968 404 R CB -0.633 29.641 30.300 -0.044 0.000 0.861 404 R HN 0.539 nan 8.270 nan 0.000 0.440 405 A N 0.632 123.514 122.820 0.102 0.000 1.986 405 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 405 A C 2.117 179.781 177.584 0.134 0.000 1.171 405 A CA 1.894 53.988 52.037 0.096 0.000 0.640 405 A CB -0.452 18.580 19.000 0.053 0.000 0.811 405 A HN 0.259 nan 8.150 nan 0.000 0.451 406 S N -0.982 114.810 115.700 0.154 0.000 2.442 406 S HA 0.012 4.481 4.470 -0.000 0.000 0.236 406 S C 0.005 174.653 174.600 0.081 0.000 1.007 406 S CA 0.396 58.644 58.200 0.080 0.000 0.965 406 S CB -0.362 62.821 63.200 -0.029 0.000 0.773 406 S HN 0.440 nan 8.310 nan 0.000 0.504 407 F N 2.205 122.193 119.950 0.064 0.000 2.421 407 F HA 0.368 4.895 4.527 -0.000 0.000 0.358 407 F C 1.401 177.247 175.800 0.076 0.000 1.115 407 F CA -0.932 57.132 58.000 0.106 0.000 1.160 407 F CB 0.661 39.708 39.000 0.078 0.000 1.123 407 F HN -0.180 nan 8.300 nan 0.000 0.508 408 R N 0.667 121.280 120.500 0.188 0.000 2.119 408 R HA 0.062 4.402 4.340 -0.000 0.000 0.222 408 R C 0.278 176.669 176.300 0.153 0.000 1.088 408 R CA 0.376 56.553 56.100 0.128 0.000 0.984 408 R CB -0.425 29.910 30.300 0.058 0.000 0.884 408 R HN 0.391 nan 8.270 nan 0.000 0.447 409 S N 1.412 117.230 115.700 0.195 0.000 2.489 409 S HA 0.460 4.930 4.470 -0.000 0.000 0.291 409 S C -0.444 174.253 174.600 0.161 0.000 1.151 409 S CA -0.709 57.609 58.200 0.197 0.000 1.082 409 S CB 1.658 65.029 63.200 0.286 0.000 1.019 409 S HN 0.078 nan 8.310 nan 0.000 0.492 410 L N 3.595 124.860 121.223 0.070 0.000 2.381 410 L HA 0.803 5.143 4.340 -0.000 0.000 0.268 410 L C -1.452 175.401 176.870 -0.030 0.000 0.997 410 L CA -0.524 54.334 54.840 0.030 0.000 0.818 410 L CB 1.858 43.931 42.059 0.024 0.000 1.310 410 L HN 0.448 nan 8.230 nan 0.000 0.416 411 V N 4.982 124.890 119.914 -0.010 0.000 2.483 411 V HA 0.490 4.610 4.120 -0.000 0.000 0.297 411 V C -0.703 175.402 176.094 0.019 0.000 1.027 411 V CA -0.671 61.622 62.300 -0.012 0.000 0.855 411 V CB 1.871 33.691 31.823 -0.004 0.000 0.995 411 V HN 0.531 nan 8.190 nan 0.000 0.424 412 V N 6.560 126.508 119.914 0.056 0.000 2.328 412 V HA 0.330 4.450 4.120 -0.000 0.000 0.278 412 V C 0.671 176.831 176.094 0.110 0.000 1.021 412 V CA -0.050 62.296 62.300 0.077 0.000 0.838 412 V CB 1.456 33.327 31.823 0.080 0.000 0.999 412 V HN 0.783 nan 8.190 nan 0.000 0.447 413 L N 4.014 125.277 121.223 0.066 0.000 2.592 413 L HA 0.450 4.790 4.340 -0.000 0.000 0.227 413 L C 1.118 178.022 176.870 0.056 0.000 1.127 413 L CA 0.651 55.524 54.840 0.054 0.000 0.884 413 L CB -0.017 42.061 42.059 0.032 0.000 1.065 413 L HN 0.970 nan 8.230 nan 0.000 0.457 414 G N -0.361 108.480 108.800 0.068 0.000 3.153 414 G HA2 0.023 3.983 3.960 -0.000 0.000 0.686 414 G HA3 0.023 3.983 3.960 -0.000 0.000 0.686 414 G C -0.207 174.713 174.900 0.033 0.000 0.995 414 G CA -0.470 44.665 45.100 0.058 0.000 0.783 414 G HN 0.392 nan 8.290 nan 0.000 0.551 415 G N -0.061 108.754 108.800 0.025 0.000 3.108 415 G HA2 0.927 4.887 3.960 -0.000 0.000 0.268 415 G HA3 0.927 4.887 3.960 -0.000 0.000 0.268 415 G C 0.428 175.335 174.900 0.012 0.000 1.361 415 G CA 0.656 45.765 45.100 0.015 0.000 1.047 415 G HN 2.030 nan 8.290 nan 0.000 0.540 416 S N -1.466 114.239 115.700 0.008 0.000 2.585 416 S HA 0.133 4.603 4.470 -0.000 0.000 0.273 416 S C 1.688 176.291 174.600 0.005 0.000 1.339 416 S CA 0.024 58.227 58.200 0.006 0.000 1.028 416 S CB 0.777 63.980 63.200 0.005 0.000 0.906 416 S HN 0.675 nan 8.310 nan 0.000 0.528 417 R N 1.191 121.694 120.500 0.004 0.000 2.236 417 R HA 0.024 4.364 4.340 -0.000 0.000 0.208 417 R C 1.806 178.106 176.300 0.001 0.000 1.036 417 R CA 1.232 57.333 56.100 0.002 0.000 1.001 417 R CB -1.252 29.049 30.300 0.002 0.000 0.896 417 R HN 0.751 nan 8.270 nan 0.000 0.464 418 T N -1.923 112.632 114.554 0.001 0.000 3.160 418 T HA -0.082 4.268 4.350 -0.000 0.000 0.257 418 T C 0.505 175.205 174.700 0.001 0.000 1.147 418 T CA 0.577 62.677 62.100 0.001 0.000 1.064 418 T CB 0.035 68.904 68.868 0.002 0.000 0.949 418 T HN 0.093 nan 8.240 nan 0.000 0.526 419 D N 1.970 122.370 120.400 0.000 0.000 2.795 419 D HA 0.268 4.908 4.640 -0.000 0.000 0.335 419 D C -1.601 174.697 176.300 -0.003 0.000 1.262 419 D CA -2.424 51.575 54.000 -0.001 0.000 0.885 419 D CB 1.328 42.129 40.800 0.001 0.000 1.047 419 D HN 0.124 nan 8.370 nan 0.000 0.500 420 P HA -0.139 nan 4.420 nan 0.000 0.222 420 P C 1.209 178.504 177.300 -0.009 0.000 1.147 420 P CA 0.586 63.681 63.100 -0.007 0.000 0.790 420 P CB 0.683 32.380 31.700 -0.006 0.000 0.780 421 K N -0.218 120.178 120.400 -0.007 0.000 2.001 421 K HA -0.044 4.276 4.320 -0.000 0.000 0.208 421 K C 2.179 178.773 176.600 -0.010 0.000 1.048 421 K CA 1.731 58.013 56.287 -0.008 0.000 0.932 421 K CB -0.981 31.516 32.500 -0.005 0.000 0.715 421 K HN 0.137 nan 8.250 nan 0.000 0.437 422 T N 2.014 116.563 114.554 -0.009 0.000 2.788 422 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 422 T C 1.600 176.291 174.700 -0.016 0.000 1.044 422 T CA 1.130 63.223 62.100 -0.011 0.000 1.139 422 T CB -0.222 68.641 68.868 -0.008 0.000 0.867 422 T HN 0.186 nan 8.240 nan 0.000 0.454 423 N N 1.084 119.775 118.700 -0.014 0.000 2.166 423 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 423 N C 1.968 177.461 175.510 -0.028 0.000 1.019 423 N CA 1.195 54.233 53.050 -0.019 0.000 0.856 423 N CB -0.334 38.144 38.487 -0.014 0.000 0.993 423 N HN 0.491 nan 8.380 nan 0.000 0.426 424 E N 1.575 121.760 120.200 -0.024 0.000 2.051 424 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 424 E C 1.062 177.644 176.600 -0.030 0.000 0.991 424 E CA 1.450 57.834 56.400 -0.027 0.000 0.799 424 E CB -0.273 29.415 29.700 -0.020 0.000 0.748 424 E HN 0.141 nan 8.360 nan 0.000 0.449 425 D N -0.274 120.112 120.400 -0.025 0.000 2.116 425 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 425 D C 1.845 178.126 176.300 -0.032 0.000 0.998 425 D CA 1.388 55.374 54.000 -0.024 0.000 0.836 425 D CB -0.198 40.590 40.800 -0.020 0.000 0.951 425 D HN 0.280 nan 8.370 nan 0.000 0.449 426 M N 0.160 119.738 119.600 -0.036 0.000 2.132 426 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 426 M C 2.355 178.613 176.300 -0.070 0.000 1.065 426 M CA 0.791 56.063 55.300 -0.047 0.000 1.122 426 M CB -1.142 31.433 32.600 -0.042 0.000 1.365 426 M HN -0.030 nan 8.290 nan 0.000 0.411 427 S N 0.704 116.360 115.700 -0.074 0.000 2.370 427 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 427 S C 2.001 176.555 174.600 -0.077 0.000 1.033 427 S CA 0.978 59.122 58.200 -0.094 0.000 1.011 427 S CB -0.170 62.983 63.200 -0.077 0.000 0.852 427 S HN 0.459 nan 8.310 nan 0.000 0.457 428 L N 0.670 121.861 121.223 -0.054 0.000 2.027 428 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 428 L C 2.622 179.471 176.870 -0.035 0.000 1.074 428 L CA 1.513 56.329 54.840 -0.040 0.000 0.745 428 L CB -0.558 41.484 42.059 -0.029 0.000 0.898 428 L HN 0.343 nan 8.230 nan 0.000 0.433 429 S N -0.159 115.520 115.700 -0.034 0.000 2.382 429 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 429 S C 1.767 176.351 174.600 -0.027 0.000 1.027 429 S CA 0.904 59.090 58.200 -0.023 0.000 0.991 429 S CB -0.170 63.017 63.200 -0.021 0.000 0.823 429 S HN 0.190 nan 8.310 nan 0.000 0.469 430 L N 0.700 121.890 121.223 -0.054 0.000 2.046 430 L HA 0.146 4.486 4.340 -0.000 0.000 0.208 430 L C 1.440 178.285 176.870 -0.040 0.000 1.077 430 L CA 1.762 56.562 54.840 -0.066 0.000 0.747 430 L CB -1.764 40.210 42.059 -0.142 0.000 0.896 430 L HN 0.494 nan 8.230 nan 0.000 0.432 431 G N -0.889 107.884 108.800 -0.045 0.000 2.612 431 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 431 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 431 G C -0.508 174.362 174.900 -0.050 0.000 1.274 431 G CA -0.680 44.403 45.100 -0.028 0.000 0.849 431 G HN 0.139 nan 8.290 nan 0.000 0.595 432 E N -0.363 119.815 120.200 -0.037 0.000 2.259 432 E HA 0.683 5.033 4.350 -0.000 0.000 0.257 432 E C 0.177 176.779 176.600 0.002 0.000 0.998 432 E CA -0.662 55.697 56.400 -0.069 0.000 0.866 432 E CB 1.504 31.175 29.700 -0.047 0.000 1.220 432 E HN 0.791 nan 8.360 nan 0.000 0.415 433 H N -1.383 117.630 119.070 -0.094 0.000 2.980 433 H HA 0.528 5.084 4.556 -0.000 0.000 0.367 433 H C -1.248 173.900 175.328 -0.301 0.000 1.206 433 H CA -1.019 54.921 56.048 -0.180 0.000 1.126 433 H CB 1.926 31.613 29.762 -0.125 0.000 1.838 433 H HN 0.368 nan 8.280 nan 0.000 0.552 434 E N 2.244 122.233 120.200 -0.352 0.000 2.145 434 E HA 0.454 4.804 4.350 -0.000 0.000 0.270 434 E C -1.514 174.694 176.600 -0.653 0.000 0.906 434 E CA -0.798 55.379 56.400 -0.371 0.000 0.761 434 E CB 1.910 31.437 29.700 -0.289 0.000 1.116 434 E HN 0.425 nan 8.360 nan 0.000 0.408 435 V N 3.492 123.090 119.914 -0.528 0.000 3.040 435 V HA 0.361 4.481 4.120 -0.000 0.000 0.312 435 V C -0.790 175.172 176.094 -0.220 0.000 1.115 435 V CA -0.817 61.157 62.300 -0.543 0.000 0.998 435 V CB 2.220 33.457 31.823 -0.978 0.000 1.042 435 V HN 0.717 nan 8.190 nan 0.000 0.433 436 E N 2.406 122.562 120.200 -0.073 0.000 2.129 436 E HA 0.541 4.890 4.350 -0.000 0.000 0.268 436 E C -0.617 176.046 176.600 0.105 0.000 0.900 436 E CA -0.459 55.948 56.400 0.012 0.000 0.755 436 E CB 1.443 31.157 29.700 0.022 0.000 1.117 436 E HN 0.522 nan 8.360 nan 0.000 0.410 437 R N 2.546 123.098 120.500 0.087 0.000 2.943 437 R HA 0.310 4.650 4.340 -0.000 0.000 0.246 437 R C -0.404 175.947 176.300 0.084 0.000 1.201 437 R CA -0.697 55.481 56.100 0.130 0.000 1.056 437 R CB 0.926 31.310 30.300 0.140 0.000 1.243 437 R HN 0.590 nan 8.270 nan 0.000 0.498 456 R N 0.577 121.067 120.500 -0.016 0.000 2.428 456 R HA 0.754 5.094 4.340 -0.000 0.000 0.294 456 R C -0.942 175.338 176.300 -0.034 0.000 1.000 456 R CA -0.690 55.386 56.100 -0.039 0.000 0.960 456 R CB 1.986 32.257 30.300 -0.049 0.000 1.076 456 R HN 0.402 nan 8.270 nan 0.000 0.475 457 V N 2.230 122.112 119.914 -0.054 0.000 2.808 457 V HA 0.509 4.629 4.120 -0.000 0.000 0.308 457 V C -0.561 175.514 176.094 -0.032 0.000 1.099 457 V CA -0.949 61.336 62.300 -0.025 0.000 0.920 457 V CB 2.167 33.996 31.823 0.010 0.000 1.014 457 V HN 0.616 nan 8.190 nan 0.000 0.425 458 R N 3.349 123.845 120.500 -0.007 0.000 2.338 458 R HA 0.710 5.050 4.340 -0.000 0.000 0.317 458 R C -0.779 175.536 176.300 0.024 0.000 0.968 458 R CA -0.292 55.810 56.100 0.004 0.000 0.849 458 R CB 1.357 31.645 30.300 -0.020 0.000 1.128 458 R HN 0.994 nan 8.270 nan 0.000 0.448 459 E N 3.422 123.639 120.200 0.028 0.000 2.407 459 E HA 0.371 4.721 4.350 -0.000 0.000 0.279 459 E C -1.121 175.374 176.600 -0.175 0.000 1.012 459 E CA -1.266 55.109 56.400 -0.041 0.000 0.800 459 E CB 1.047 30.767 29.700 0.033 0.000 1.276 459 E HN 0.239 nan 8.360 nan 0.000 0.452 460 R N 1.095 121.524 120.500 -0.118 0.000 2.489 460 R HA 0.104 4.444 4.340 -0.000 0.000 0.287 460 R C 0.924 177.125 176.300 -0.166 0.000 1.053 460 R CA -0.107 55.914 56.100 -0.132 0.000 1.036 460 R CB 0.779 31.029 30.300 -0.082 0.000 0.966 460 R HN 0.522 nan 8.270 nan 0.000 0.432 461 V N 2.883 122.678 119.914 -0.198 0.000 2.343 461 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 461 V C 0.962 177.070 176.094 0.023 0.000 1.051 461 V CA 1.454 63.705 62.300 -0.082 0.000 1.036 461 V CB 0.034 31.829 31.823 -0.047 0.000 0.654 461 V HN 0.400 nan 8.190 nan 0.000 0.451 462 V N 0.963 120.812 119.914 -0.108 0.000 2.409 462 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 462 V C -0.097 175.912 176.094 -0.142 0.000 1.020 462 V CA -0.415 61.770 62.300 -0.192 0.000 0.848 462 V CB 1.564 33.115 31.823 -0.454 0.000 0.990 462 V HN 0.243 nan 8.190 nan 0.000 0.430 463 M N 5.329 124.867 119.600 -0.103 0.000 2.241 463 M HA 0.255 4.735 4.480 -0.000 0.000 0.335 463 M C -1.461 174.796 176.300 -0.071 0.000 1.122 463 M CA -1.387 53.869 55.300 -0.074 0.000 1.164 463 M CB 1.492 34.058 32.600 -0.055 0.000 1.459 463 M HN 0.332 nan 8.290 nan 0.000 0.461 464 P HA -0.114 nan 4.420 nan 0.000 0.217 464 P C 0.856 178.139 177.300 -0.028 0.000 1.150 464 P CA 1.476 64.550 63.100 -0.043 0.000 0.832 464 P CB 0.011 31.691 31.700 -0.033 0.000 0.787 465 A N 0.347 123.153 122.820 -0.023 0.000 1.908 465 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 465 A C 2.094 179.677 177.584 -0.002 0.000 1.181 465 A CA 1.759 53.789 52.037 -0.012 0.000 0.627 465 A CB -1.296 17.696 19.000 -0.014 0.000 0.818 465 A HN 0.213 nan 8.150 nan 0.000 0.445 466 E N -0.353 119.844 120.200 -0.005 0.000 2.160 466 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 466 E C 1.833 178.474 176.600 0.069 0.000 0.991 466 E CA 1.231 57.648 56.400 0.030 0.000 0.810 466 E CB -0.335 29.381 29.700 0.025 0.000 0.742 466 E HN 0.744 nan 8.360 nan 0.000 0.466 467 I N 0.892 121.482 120.570 0.033 0.000 2.286 467 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 467 I C 2.538 178.682 176.117 0.046 0.000 1.104 467 I CA 0.716 62.048 61.300 0.054 0.000 1.397 467 I CB -0.267 37.736 38.000 0.004 0.000 1.072 467 I HN 0.046 nan 8.210 nan 0.000 0.417 468 A N 0.671 123.505 122.820 0.023 0.000 1.969 468 A HA -0.114 4.205 4.320 -0.000 0.000 0.218 468 A C 1.805 179.401 177.584 0.021 0.000 1.169 468 A CA 1.319 53.366 52.037 0.017 0.000 0.635 468 A CB -0.426 18.578 19.000 0.007 0.000 0.810 468 A HN 0.397 nan 8.150 nan 0.000 0.445 469 N N -0.021 118.694 118.700 0.025 0.000 2.314 469 N HA 0.163 4.903 4.740 -0.000 0.000 0.200 469 N C -0.160 175.368 175.510 0.029 0.000 1.135 469 N CA 0.021 53.085 53.050 0.022 0.000 0.835 469 N CB 0.069 38.566 38.487 0.016 0.000 0.989 469 N HN 0.418 nan 8.380 nan 0.000 0.478 470 L N 2.907 124.157 121.223 0.045 0.000 2.453 470 L HA 0.126 4.466 4.340 -0.000 0.000 0.272 470 L C -1.568 175.313 176.870 0.019 0.000 1.182 470 L CA -0.966 53.899 54.840 0.043 0.000 0.858 470 L CB 0.405 42.506 42.059 0.070 0.000 1.120 470 L HN -0.063 nan 8.230 nan 0.000 0.474 471 P HA 0.166 nan 4.420 nan 0.000 0.278 471 P C -1.028 176.271 177.300 -0.002 0.000 1.266 471 P CA -0.705 62.394 63.100 -0.001 0.000 0.807 471 P CB 0.895 32.591 31.700 -0.008 0.000 1.094 472 D N 0.278 120.677 120.400 -0.001 0.000 2.363 472 D HA 0.091 4.731 4.640 -0.000 0.000 0.240 472 D C 1.026 177.323 176.300 -0.006 0.000 1.236 472 D CA -0.019 53.980 54.000 -0.000 0.000 0.927 472 D CB 0.051 40.851 40.800 0.001 0.000 1.150 472 D HN 0.406 nan 8.370 nan 0.000 0.458 473 L N -0.689 120.532 121.223 -0.003 0.000 3.737 473 L HA -0.247 4.093 4.340 -0.000 0.000 0.418 473 L C -0.258 176.600 176.870 -0.019 0.000 1.216 473 L CA 0.615 55.452 54.840 -0.005 0.000 0.915 473 L CB -1.993 40.065 42.059 -0.001 0.000 1.834 473 L HN 0.287 nan 8.230 nan 0.000 0.943 474 T N -0.479 114.058 114.554 -0.029 0.000 2.991 474 T HA 0.812 5.162 4.350 -0.000 0.000 0.303 474 T C -0.241 174.415 174.700 -0.073 0.000 1.015 474 T CA 0.043 62.103 62.100 -0.067 0.000 1.007 474 T CB 2.104 70.928 68.868 -0.074 0.000 1.034 474 T HN 0.412 nan 8.240 nan 0.000 0.446 475 A N 2.520 125.267 122.820 -0.121 0.000 2.606 475 A HA 0.796 5.116 4.320 -0.000 0.000 0.293 475 A C -2.120 175.369 177.584 -0.159 0.000 1.082 475 A CA -0.811 51.179 52.037 -0.080 0.000 0.685 475 A CB 1.135 20.129 19.000 -0.011 0.000 1.284 475 A HN 0.736 nan 8.150 nan 0.000 0.408 476 Y N 0.214 120.500 120.300 -0.024 0.000 2.323 476 Y HA 0.508 5.058 4.550 -0.000 0.000 0.331 476 Y C 0.140 175.994 175.900 -0.075 0.000 1.092 476 Y CA -0.284 57.798 58.100 -0.031 0.000 1.150 476 Y CB 1.939 40.389 38.460 -0.017 0.000 1.200 476 Y HN 0.364 nan 8.280 nan 0.000 0.472 477 V N 2.674 122.606 119.914 0.030 0.000 2.378 477 V HA 0.600 4.720 4.120 -0.000 0.000 0.288 477 V C 0.144 176.128 176.094 -0.183 0.000 1.016 477 V CA -0.805 61.392 62.300 -0.172 0.000 0.840 477 V CB 1.423 33.053 31.823 -0.321 0.000 0.994 477 V HN 0.949 nan 8.190 nan 0.000 0.431 478 G N 4.118 112.809 108.800 -0.180 0.000 3.039 478 G HA2 0.579 4.538 3.960 -0.000 0.000 0.329 478 G HA3 0.579 4.538 3.960 -0.000 0.000 0.329 478 G C -0.658 174.209 174.900 -0.055 0.000 1.361 478 G CA -0.292 44.770 45.100 -0.063 0.000 1.088 478 G HN 0.353 nan 8.290 nan 0.000 0.501 479 F N 1.788 121.784 119.950 0.077 0.000 2.490 479 F HA 0.445 4.972 4.527 -0.000 0.000 0.336 479 F C 1.377 177.212 175.800 0.058 0.000 1.178 479 F CA 0.131 58.174 58.000 0.072 0.000 1.301 479 F CB 0.886 39.924 39.000 0.063 0.000 1.175 479 F HN 0.566 nan 8.300 nan 0.000 0.593 480 A N 1.784 124.776 122.820 0.287 0.000 2.536 480 A HA 0.433 4.753 4.320 -0.000 0.000 0.234 480 A C 0.916 178.574 177.584 0.122 0.000 1.076 480 A CA 0.387 52.518 52.037 0.158 0.000 0.769 480 A CB -0.951 18.117 19.000 0.112 0.000 1.020 480 A HN 1.708 nan 8.150 nan 0.000 0.508 481 G N 0.430 109.278 108.800 0.080 0.000 2.642 481 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.231 481 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.231 481 G C -0.009 174.931 174.900 0.066 0.000 1.338 481 G CA 0.292 45.428 45.100 0.059 0.000 0.883 481 G HN 1.805 nan 8.290 nan 0.000 0.570 482 N N 1.532 120.263 118.700 0.051 0.000 2.605 482 N HA 0.429 5.169 4.740 -0.000 0.000 0.258 482 N C 0.309 175.852 175.510 0.055 0.000 1.156 482 N CA 0.089 53.170 53.050 0.051 0.000 1.008 482 N CB -0.124 38.386 38.487 0.038 0.000 1.354 482 N HN 0.659 nan 8.380 nan 0.000 0.509 483 R N 2.349 122.893 120.500 0.074 0.000 2.707 483 R HA 0.505 4.844 4.340 -0.000 0.000 0.272 483 R C -2.713 173.635 176.300 0.081 0.000 1.011 483 R CA -1.529 54.620 56.100 0.083 0.000 0.893 483 R CB 0.982 31.363 30.300 0.136 0.000 1.233 483 R HN 0.355 nan 8.270 nan 0.000 0.464 484 P HA 0.346 nan 4.420 nan 0.000 0.277 484 P C -0.184 177.172 177.300 0.094 0.000 1.271 484 P CA -0.497 62.636 63.100 0.055 0.000 0.795 484 P CB 0.732 32.445 31.700 0.021 0.000 1.101 485 I N -3.187 117.442 120.570 0.097 0.000 2.863 485 I HA 0.874 5.043 4.170 -0.000 0.000 0.311 485 I C -0.779 175.422 176.117 0.140 0.000 1.026 485 I CA -1.329 60.039 61.300 0.114 0.000 1.077 485 I CB 1.979 40.049 38.000 0.116 0.000 1.262 485 I HN 0.401 nan 8.210 nan 0.000 0.461 486 A N 2.801 125.706 122.820 0.142 0.000 2.574 486 A HA 0.537 4.857 4.320 -0.000 0.000 0.297 486 A C -1.179 176.433 177.584 0.045 0.000 1.062 486 A CA -0.838 51.269 52.037 0.116 0.000 0.686 486 A CB 1.627 20.674 19.000 0.078 0.000 1.285 486 A HN 0.799 nan 8.150 nan 0.000 0.403 487 K N 1.906 122.263 120.400 -0.073 0.000 2.262 487 K HA 0.587 4.907 4.320 -0.000 0.000 0.282 487 K C -1.312 175.160 176.600 -0.214 0.000 1.066 487 K CA -0.138 55.900 56.287 -0.415 0.000 0.901 487 K CB 0.669 32.837 32.500 -0.552 0.000 1.089 487 K HN 0.458 nan 8.250 nan 0.000 0.476 488 V N 6.439 126.238 119.914 -0.191 0.000 2.823 488 V HA 0.498 4.618 4.120 -0.000 0.000 0.312 488 V C -2.298 173.744 176.094 -0.087 0.000 1.072 488 V CA -1.885 60.359 62.300 -0.094 0.000 0.937 488 V CB 1.929 33.730 31.823 -0.038 0.000 1.013 488 V HN 0.861 nan 8.190 nan 0.000 0.430 489 P HA 0.405 nan 4.420 nan 0.000 0.286 489 P C -1.227 176.066 177.300 -0.012 0.000 1.261 489 P CA -0.445 62.633 63.100 -0.037 0.000 0.821 489 P CB 1.733 33.416 31.700 -0.028 0.000 1.013 490 L N 2.797 124.017 121.223 -0.006 0.000 2.272 490 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 490 L C 0.738 177.619 176.870 0.018 0.000 1.032 490 L CA -0.467 54.381 54.840 0.013 0.000 0.810 490 L CB 0.940 43.007 42.059 0.015 0.000 1.205 490 L HN 0.340 nan 8.230 nan 0.000 0.422 491 E N 4.860 125.078 120.200 0.030 0.000 2.216 491 E HA 0.321 4.671 4.350 -0.000 0.000 0.279 491 E C -0.533 176.092 176.600 0.041 0.000 0.997 491 E CA -0.585 55.831 56.400 0.026 0.000 0.817 491 E CB 2.290 32.004 29.700 0.023 0.000 1.096 491 E HN 0.493 nan 8.360 nan 0.000 0.393 492 I N 3.442 124.030 120.570 0.029 0.000 2.227 492 I HA 0.054 4.224 4.170 -0.000 0.000 0.297 492 I C 0.558 176.690 176.117 0.025 0.000 1.173 492 I CA -0.122 61.205 61.300 0.044 0.000 1.356 492 I CB -0.209 37.807 38.000 0.028 0.000 1.485 492 I HN 0.259 nan 8.210 nan 0.000 0.604 493 K N 5.306 125.729 120.400 0.037 0.000 2.295 493 K HA 0.193 4.513 4.320 -0.000 0.000 0.270 493 K C -0.135 176.358 176.600 -0.178 0.000 1.011 493 K CA -0.394 55.822 56.287 -0.118 0.000 0.953 493 K CB 0.823 33.198 32.500 -0.209 0.000 0.956 493 K HN 0.447 nan 8.250 nan 0.000 0.477 494 Q N 2.855 122.457 119.800 -0.330 0.000 2.241 494 Q HA 0.270 4.609 4.340 -0.000 0.000 0.254 494 Q C -1.155 174.524 176.000 -0.534 0.000 0.917 494 Q CA -0.337 55.316 55.803 -0.250 0.000 0.919 494 Q CB 1.080 29.727 28.738 -0.152 0.000 1.237 494 Q HN 0.400 nan 8.270 nan 0.000 0.434 495 F N 0.485 120.344 119.950 -0.153 0.000 2.493 495 F HA 0.461 4.988 4.527 -0.000 0.000 0.329 495 F C 0.302 175.991 175.800 -0.184 0.000 1.126 495 F CA -0.946 56.931 58.000 -0.203 0.000 0.937 495 F CB 1.448 40.257 39.000 -0.318 0.000 1.146 495 F HN 0.500 nan 8.300 nan 0.000 0.442 496 A N 2.918 125.729 122.820 -0.015 0.000 2.425 496 A HA 0.273 4.593 4.320 -0.000 0.000 0.249 496 A C 0.087 177.640 177.584 -0.051 0.000 1.084 496 A CA -0.607 51.410 52.037 -0.034 0.000 0.781 496 A CB 0.020 19.001 19.000 -0.032 0.000 1.019 496 A HN 0.868 nan 8.150 nan 0.000 0.490 497 N N 1.493 120.157 118.700 -0.059 0.000 2.402 497 N HA 0.139 4.879 4.740 -0.000 0.000 0.259 497 N C 0.342 175.817 175.510 -0.058 0.000 1.167 497 N CA -0.138 52.865 53.050 -0.078 0.000 0.949 497 N CB 0.509 38.955 38.487 -0.067 0.000 1.212 497 N HN 0.659 nan 8.380 nan 0.000 0.493 498 R N 1.939 122.403 120.500 -0.060 0.000 2.893 498 R HA 0.239 4.579 4.340 -0.000 0.000 0.317 498 R C -0.437 175.836 176.300 -0.045 0.000 1.239 498 R CA -0.246 55.835 56.100 -0.032 0.000 1.128 498 R CB 0.098 30.401 30.300 0.004 0.000 1.377 498 R HN 0.535 nan 8.270 nan 0.000 0.583 499 Q N 0.662 120.425 119.800 -0.062 0.000 2.964 499 Q HA 0.117 4.457 4.340 -0.000 0.000 0.215 499 Q C -3.009 172.946 176.000 -0.074 0.000 1.019 499 Q CA -1.342 54.417 55.803 -0.072 0.000 0.990 499 Q CB 2.326 31.004 28.738 -0.100 0.000 2.131 499 Q HN 0.156 nan 8.270 nan 0.000 0.522 500 P HA 0.080 nan 4.420 nan 0.000 0.276 500 P C -0.250 177.028 177.300 -0.037 0.000 1.230 500 P CA 0.266 63.340 63.100 -0.045 0.000 0.776 500 P CB 1.264 32.938 31.700 -0.043 0.000 0.888 501 A N 3.899 126.712 122.820 -0.011 0.000 1.933 501 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 501 A C 0.718 178.379 177.584 0.127 0.000 1.175 501 A CA 1.304 53.349 52.037 0.014 0.000 0.628 501 A CB -0.625 18.375 19.000 -0.000 0.000 0.814 501 A HN 0.587 nan 8.150 nan 0.000 0.444 502 F N -1.918 118.003 119.950 -0.048 0.000 2.613 502 F HA 0.599 5.126 4.527 -0.000 0.000 0.314 502 F C -1.293 174.499 175.800 -0.014 0.000 1.075 502 F CA -1.756 56.231 58.000 -0.023 0.000 0.945 502 F CB 2.133 41.125 39.000 -0.013 0.000 1.310 502 F HN -0.178 nan 8.300 nan 0.000 0.467 503 V N 3.517 122.829 119.914 -1.004 0.000 2.610 503 V HA 0.266 4.386 4.120 -0.000 0.000 0.298 503 V C -0.358 175.127 176.094 -1.016 0.000 1.067 503 V CA -0.790 61.051 62.300 -0.764 0.000 0.894 503 V CB 1.258 32.865 31.823 -0.360 0.000 1.015 503 V HN 0.793 nan 8.190 nan 0.000 0.432 504 E N 0.000 119.792 120.200 -0.681 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.197 56.400 -0.338 0.000 0.976 504 E CB 0.000 29.638 29.700 -0.104 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440