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 1e9r_1_D DATA FIRST_RESID 77 DATA SEQUENCE GEFGGAPFKR FLRGTRIVSG GKLKRMTREK AKQVTVAGVP MPRDAEPRHL DATA SEQUENCE LVNGATGTGK SVLLRELAYT GLLRGDRMVI VDPNGDMLSK FGRDKDIILN DATA SEQUENCE PYDQRTKGWS FFNEIRNDYD WQRYALSVVP RGKTDEAEEW ASYGRLLLRE DATA SEQUENCE TAKKLALIGT PSMRELFHWT TIATFDDLRG FLEGTLAESL FAGSNEASKA DATA SEQUENCE LTSARFVLSD KLPEHVTMPD GDFSIRSWLE DPNGGNLFIT WREDMGPALR DATA SEQUENCE PLISAWVDVV CTSILSLPEE PKRRLWLFID ELASLEKLAS LADALTKGRK DATA SEQUENCE AGLRVVAGLQ STSQLDDVYG VKEAQTLRAS FRSLVVLGGS RTDPKTNEDM DATA SEQUENCE SLSLGEHEVE RDXXXXXXXX XXXXXXALER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVEG 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 77 G HA2 0.000 nan 3.960 nan 0.000 0.244 77 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 77 G C 0.000 174.953 174.900 0.089 0.000 0.946 77 G CA 0.000 45.139 45.100 0.066 0.000 0.502 78 E N 0.275 120.558 120.200 0.138 0.000 2.307 78 E HA 0.199 4.549 4.350 0.000 0.000 0.195 78 E C 0.264 177.017 176.600 0.255 0.000 0.975 78 E CA -0.263 56.235 56.400 0.163 0.000 0.878 78 E CB 0.143 29.938 29.700 0.159 0.000 0.845 78 E HN 0.346 nan 8.360 nan 0.000 0.488 79 F N 2.822 122.872 119.950 0.166 0.000 2.424 79 F HA 0.524 5.051 4.527 -0.000 0.000 0.356 79 F C 1.377 177.279 175.800 0.170 0.000 1.110 79 F CA -0.689 57.440 58.000 0.215 0.000 1.161 79 F CB 1.493 40.720 39.000 0.377 0.000 1.115 79 F HN -0.059 nan 8.300 nan 0.000 0.507 80 G N 4.502 113.035 108.800 -0.445 0.000 2.470 80 G HA2 0.027 3.987 3.960 0.000 0.000 0.220 80 G HA3 0.027 3.987 3.960 0.000 0.000 0.220 80 G C 0.883 175.390 174.900 -0.655 0.000 1.121 80 G CA 0.465 45.308 45.100 -0.429 0.000 0.766 80 G HN 0.966 nan 8.290 nan 0.000 0.553 81 G N -0.246 107.632 108.800 -1.537 0.000 2.516 81 G HA2 0.506 4.466 3.960 0.000 0.000 0.276 81 G HA3 0.506 4.466 3.960 0.000 0.000 0.276 81 G C 0.254 175.023 174.900 -0.220 0.000 1.390 81 G CA 0.053 44.651 45.100 -0.837 0.000 1.050 81 G HN 0.551 nan 8.290 nan 0.000 0.519 82 A N 0.172 123.086 122.820 0.156 0.000 2.440 82 A HA 0.564 4.884 4.320 0.000 0.000 0.251 82 A C -1.974 175.881 177.584 0.452 0.000 1.089 82 A CA -0.767 51.411 52.037 0.235 0.000 0.779 82 A CB -0.113 19.007 19.000 0.199 0.000 1.022 82 A HN 0.419 nan 8.150 nan 0.000 0.492 83 P HA 0.347 nan 4.420 nan 0.000 0.269 83 P C -0.686 176.814 177.300 0.333 0.000 1.217 83 P CA 0.346 63.617 63.100 0.285 0.000 0.783 83 P CB 0.240 31.998 31.700 0.097 0.000 0.898 84 F N -1.213 118.811 119.950 0.123 0.000 2.620 84 F HA 0.637 5.164 4.527 0.000 0.000 0.320 84 F C 1.089 176.909 175.800 0.034 0.000 1.069 84 F CA -1.258 56.775 58.000 0.055 0.000 0.953 84 F CB 1.100 40.096 39.000 -0.007 0.000 1.322 84 F HN 0.087 nan 8.300 nan 0.000 0.479 85 K N -0.153 120.363 120.400 0.193 0.000 2.021 85 K HA 0.175 4.495 4.320 0.000 0.000 0.205 85 K C 0.206 176.880 176.600 0.125 0.000 1.047 85 K CA 0.806 57.148 56.287 0.092 0.000 0.943 85 K CB 0.233 32.781 32.500 0.079 0.000 0.725 85 K HN 0.697 nan 8.250 nan 0.000 0.439 86 R N -0.045 120.598 120.500 0.238 0.000 2.621 86 R HA 0.161 4.501 4.340 0.000 0.000 0.284 86 R C -1.744 174.736 176.300 0.300 0.000 0.998 86 R CA -0.645 55.594 56.100 0.232 0.000 0.895 86 R CB 1.127 31.491 30.300 0.107 0.000 1.195 86 R HN -0.026 nan 8.270 nan 0.000 0.450 87 F N 4.992 125.060 119.950 0.197 0.000 2.410 87 F HA 0.277 4.804 4.527 0.000 0.000 0.348 87 F C -0.036 175.741 175.800 -0.037 0.000 1.106 87 F CA -0.237 57.792 58.000 0.048 0.000 1.163 87 F CB 0.796 39.885 39.000 0.149 0.000 1.129 87 F HN 0.515 nan 8.300 nan 0.000 0.516 88 L N 4.051 124.785 121.223 -0.816 0.000 2.379 88 L HA 0.351 4.691 4.340 0.000 0.000 0.190 88 L C -0.087 176.455 176.870 -0.547 0.000 1.111 88 L CA -0.057 54.491 54.840 -0.487 0.000 0.820 88 L CB -0.016 41.820 42.059 -0.371 0.000 1.046 88 L HN 0.606 nan 8.230 nan 0.000 0.485 89 R N -1.579 118.395 120.500 -0.877 0.000 2.733 89 R HA 0.707 5.047 4.340 0.000 0.000 0.272 89 R C -0.473 175.639 176.300 -0.314 0.000 1.029 89 R CA -0.275 55.595 56.100 -0.384 0.000 0.888 89 R CB 0.846 31.056 30.300 -0.150 0.000 1.251 89 R HN 0.174 nan 8.270 nan 0.000 0.464 90 G N -0.053 108.800 108.800 0.088 0.000 2.384 90 G HA2 -0.091 3.869 3.960 0.000 0.000 0.200 90 G HA3 -0.091 3.869 3.960 0.000 0.000 0.200 90 G C -1.110 173.981 174.900 0.318 0.000 1.205 90 G CA -0.417 44.771 45.100 0.148 0.000 1.116 90 G HN 0.711 nan 8.290 nan 0.000 0.547 91 T N 2.088 116.797 114.554 0.260 0.000 2.780 91 T HA 0.591 4.941 4.350 0.000 0.000 0.294 91 T C 0.538 175.404 174.700 0.277 0.000 0.949 91 T CA -0.077 62.146 62.100 0.205 0.000 1.074 91 T CB 0.839 69.761 68.868 0.090 0.000 0.910 91 T HN 0.580 nan 8.240 nan 0.000 0.501 92 R N 2.536 123.091 120.500 0.091 0.000 2.265 92 R HA 0.560 4.900 4.340 0.000 0.000 0.319 92 R C -0.314 176.008 176.300 0.037 0.000 1.006 92 R CA -0.566 55.481 56.100 -0.088 0.000 0.880 92 R CB 1.286 31.394 30.300 -0.321 0.000 1.077 92 R HN 0.594 nan 8.270 nan 0.000 0.454 93 I N 2.836 123.471 120.570 0.108 0.000 2.525 93 I HA 0.456 4.626 4.170 0.000 0.000 0.301 93 I C -0.889 175.305 176.117 0.128 0.000 0.992 93 I CA -0.832 60.562 61.300 0.155 0.000 1.162 93 I CB 1.525 39.675 38.000 0.251 0.000 1.332 93 I HN 0.295 nan 8.210 nan 0.000 0.458 94 V N 4.961 124.945 119.914 0.117 0.000 3.167 94 V HA 0.471 4.591 4.120 0.000 0.000 0.310 94 V C -0.291 175.857 176.094 0.089 0.000 1.207 94 V CA -0.442 61.910 62.300 0.086 0.000 1.059 94 V CB 2.710 34.566 31.823 0.055 0.000 1.079 94 V HN 0.890 nan 8.190 nan 0.000 0.446 95 S N 0.907 116.647 115.700 0.066 0.000 2.603 95 S HA 0.343 4.813 4.470 0.000 0.000 0.268 95 S C 1.315 175.944 174.600 0.049 0.000 1.317 95 S CA 0.239 58.471 58.200 0.053 0.000 1.012 95 S CB 1.241 64.465 63.200 0.039 0.000 0.926 95 S HN 1.284 nan 8.310 nan 0.000 0.539 96 G N 1.406 110.227 108.800 0.036 0.000 2.446 96 G HA2 -0.064 3.896 3.960 0.000 0.000 0.217 96 G HA3 -0.064 3.896 3.960 0.000 0.000 0.217 96 G C 1.365 176.291 174.900 0.043 0.000 1.168 96 G CA 0.692 45.814 45.100 0.037 0.000 0.771 96 G HN 1.032 nan 8.290 nan 0.000 0.551 97 G N 0.929 109.749 108.800 0.033 0.000 2.459 97 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 97 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 97 G C 1.785 176.704 174.900 0.032 0.000 1.183 97 G CA 1.584 46.702 45.100 0.030 0.000 0.776 97 G HN 0.541 nan 8.290 nan 0.000 0.552 98 K N 0.144 120.563 120.400 0.032 0.000 2.103 98 K HA -0.055 4.265 4.320 0.000 0.000 0.207 98 K C 2.294 178.917 176.600 0.039 0.000 1.048 98 K CA 1.156 57.461 56.287 0.030 0.000 0.930 98 K CB -0.667 31.850 32.500 0.027 0.000 0.716 98 K HN 0.266 nan 8.250 nan 0.000 0.444 99 L N 1.143 122.401 121.223 0.058 0.000 2.017 99 L HA -0.095 4.245 4.340 0.000 0.000 0.208 99 L C 1.712 178.629 176.870 0.078 0.000 1.073 99 L CA 1.869 56.759 54.840 0.084 0.000 0.745 99 L CB -0.504 41.628 42.059 0.121 0.000 0.894 99 L HN 0.148 nan 8.230 nan 0.000 0.432 100 K N -0.834 119.608 120.400 0.070 0.000 2.103 100 K HA -0.181 4.139 4.320 0.000 0.000 0.207 100 K C 2.197 178.815 176.600 0.030 0.000 1.048 100 K CA 1.609 57.931 56.287 0.057 0.000 0.930 100 K CB -0.228 32.302 32.500 0.050 0.000 0.716 100 K HN 0.338 nan 8.250 nan 0.000 0.444 101 R N 0.354 120.870 120.500 0.026 0.000 2.075 101 R HA -0.005 4.335 4.340 0.000 0.000 0.232 101 R C 2.363 178.667 176.300 0.006 0.000 1.126 101 R CA 1.452 57.559 56.100 0.013 0.000 0.963 101 R CB -0.162 30.145 30.300 0.013 0.000 0.858 101 R HN 0.212 nan 8.270 nan 0.000 0.435 102 M N -0.207 119.400 119.600 0.012 0.000 2.200 102 M HA -0.091 4.389 4.480 0.000 0.000 0.265 102 M C 2.209 178.499 176.300 -0.017 0.000 1.066 102 M CA 1.874 57.176 55.300 0.003 0.000 1.127 102 M CB -0.268 32.342 32.600 0.016 0.000 1.379 102 M HN 0.223 nan 8.290 nan 0.000 0.420 103 T N -1.976 112.564 114.554 -0.023 0.000 3.043 103 T HA 0.026 4.376 4.350 0.000 0.000 0.263 103 T C 1.017 175.669 174.700 -0.079 0.000 1.094 103 T CA -0.131 61.917 62.100 -0.087 0.000 1.127 103 T CB -0.272 68.513 68.868 -0.139 0.000 0.905 103 T HN 0.262 nan 8.240 nan 0.000 0.490 104 R N 1.956 122.433 120.500 -0.038 0.000 2.504 104 R HA 0.129 4.469 4.340 0.000 0.000 0.291 104 R C 0.053 176.333 176.300 -0.034 0.000 0.974 104 R CA 0.380 56.462 56.100 -0.028 0.000 1.077 104 R CB 0.204 30.497 30.300 -0.011 0.000 0.926 104 R HN 0.593 nan 8.270 nan 0.000 0.407 105 E N 2.538 122.717 120.200 -0.034 0.000 2.410 105 E HA 0.172 4.522 4.350 0.000 0.000 0.269 105 E C 0.147 176.734 176.600 -0.022 0.000 0.937 105 E CA -0.925 55.456 56.400 -0.032 0.000 0.793 105 E CB 1.015 30.688 29.700 -0.044 0.000 1.314 105 E HN 0.482 nan 8.360 nan 0.000 0.447 106 K N 0.571 120.959 120.400 -0.020 0.000 1.973 106 K HA 0.006 4.326 4.320 0.000 0.000 0.212 106 K C 0.984 177.577 176.600 -0.013 0.000 1.047 106 K CA 1.186 57.464 56.287 -0.015 0.000 0.937 106 K CB -1.383 31.109 32.500 -0.014 0.000 0.721 106 K HN 0.456 nan 8.250 nan 0.000 0.440 107 A N 2.312 125.124 122.820 -0.013 0.000 2.455 107 A HA 0.082 4.402 4.320 0.000 0.000 0.244 107 A C -0.381 177.199 177.584 -0.007 0.000 1.099 107 A CA -0.179 51.853 52.037 -0.009 0.000 0.786 107 A CB -0.136 18.859 19.000 -0.009 0.000 1.051 107 A HN 0.282 nan 8.150 nan 0.000 0.508 108 K N 1.080 121.478 120.400 -0.003 0.000 2.368 108 K HA 0.380 4.700 4.320 0.000 0.000 0.282 108 K C -0.087 176.517 176.600 0.007 0.000 1.035 108 K CA 0.476 56.761 56.287 -0.003 0.000 0.973 108 K CB 0.371 32.868 32.500 -0.004 0.000 0.957 108 K HN 0.682 nan 8.250 nan 0.000 0.474 109 Q N 0.415 120.216 119.800 0.001 0.000 2.496 109 Q HA 0.611 4.951 4.340 0.000 0.000 0.286 109 Q C -0.633 175.375 176.000 0.012 0.000 1.103 109 Q CA -1.439 54.375 55.803 0.018 0.000 0.813 109 Q CB 2.156 30.895 28.738 0.001 0.000 1.444 109 Q HN 0.506 nan 8.270 nan 0.000 0.443 110 V N -2.141 117.800 119.914 0.044 0.000 3.096 110 V HA 0.836 4.956 4.120 0.000 0.000 0.319 110 V C -0.199 175.925 176.094 0.050 0.000 1.082 110 V CA -0.610 61.694 62.300 0.007 0.000 1.022 110 V CB 1.496 33.306 31.823 -0.022 0.000 1.103 110 V HN 0.934 nan 8.190 nan 0.000 0.455 111 T N -0.847 113.736 114.554 0.048 0.000 2.887 111 T HA 0.749 5.099 4.350 0.000 0.000 0.288 111 T C -0.764 174.023 174.700 0.146 0.000 1.021 111 T CA -0.686 61.478 62.100 0.107 0.000 1.000 111 T CB 1.562 70.480 68.868 0.084 0.000 1.034 111 T HN 0.818 nan 8.240 nan 0.000 0.467 112 V N 2.520 122.558 119.914 0.208 0.000 2.326 112 V HA 0.642 4.762 4.120 0.000 0.000 0.281 112 V C 0.920 177.089 176.094 0.126 0.000 1.015 112 V CA -0.134 62.274 62.300 0.180 0.000 0.823 112 V CB -0.078 31.872 31.823 0.211 0.000 1.009 112 V HN 1.605 nan 8.190 nan 0.000 0.436 113 A N 4.027 126.905 122.820 0.097 0.000 2.832 113 A HA -0.004 4.316 4.320 0.000 0.000 0.280 113 A C 1.738 179.367 177.584 0.075 0.000 1.464 113 A CA 1.321 53.400 52.037 0.070 0.000 0.804 113 A CB -1.554 17.468 19.000 0.037 0.000 1.020 113 A HN 2.529 nan 8.150 nan 0.000 0.563 114 G N -3.934 104.922 108.800 0.093 0.000 2.176 114 G HA2 0.013 3.973 3.960 0.000 0.000 0.253 114 G HA3 0.013 3.973 3.960 0.000 0.000 0.253 114 G C 0.285 175.243 174.900 0.097 0.000 0.979 114 G CA 0.446 45.596 45.100 0.084 0.000 0.641 114 G HN 1.849 nan 8.290 nan 0.000 0.530 115 V N 3.179 123.177 119.914 0.141 0.000 2.370 115 V HA 0.476 4.596 4.120 0.000 0.000 0.279 115 V C -1.464 174.749 176.094 0.199 0.000 1.029 115 V CA -1.698 60.713 62.300 0.186 0.000 0.870 115 V CB 1.654 33.650 31.823 0.287 0.000 0.984 115 V HN 0.209 nan 8.190 nan 0.000 0.451 116 P HA 0.040 nan 4.420 nan 0.000 0.264 116 P C -0.454 176.806 177.300 -0.067 0.000 1.193 116 P CA -0.099 63.021 63.100 0.033 0.000 0.763 116 P CB 0.710 32.407 31.700 -0.005 0.000 0.810 117 M N 5.800 125.364 119.600 -0.059 0.000 2.146 117 M HA 0.328 4.808 4.480 0.000 0.000 0.357 117 M C -2.390 173.721 176.300 -0.316 0.000 1.261 117 M CA -2.370 52.757 55.300 -0.290 0.000 1.106 117 M CB 0.915 33.581 32.600 0.110 0.000 1.612 117 M HN 0.075 nan 8.290 nan 0.000 0.470 118 P HA -0.008 nan 4.420 nan 0.000 0.260 118 P C -0.003 177.206 177.300 -0.152 0.000 1.185 118 P CA 0.063 62.989 63.100 -0.291 0.000 0.763 118 P CB 0.353 31.861 31.700 -0.321 0.000 0.776 119 R N 3.480 123.926 120.500 -0.090 0.000 2.140 119 R HA -0.225 4.115 4.340 0.000 0.000 0.250 119 R C 1.262 177.524 176.300 -0.064 0.000 1.150 119 R CA 2.475 58.546 56.100 -0.049 0.000 0.966 119 R CB -1.072 29.205 30.300 -0.038 0.000 0.869 119 R HN 0.667 nan 8.270 nan 0.000 0.445 120 D N -0.751 119.605 120.400 -0.074 0.000 2.348 120 D HA -0.048 4.592 4.640 0.000 0.000 0.216 120 D C 1.396 177.646 176.300 -0.083 0.000 0.970 120 D CA 1.006 54.960 54.000 -0.077 0.000 0.889 120 D CB -0.015 40.747 40.800 -0.064 0.000 0.912 120 D HN 0.182 nan 8.370 nan 0.000 0.524 121 A N 0.315 123.092 122.820 -0.070 0.000 2.072 121 A HA -0.020 4.300 4.320 0.000 0.000 0.216 121 A C 1.986 179.543 177.584 -0.044 0.000 1.156 121 A CA 0.478 52.498 52.037 -0.028 0.000 0.701 121 A CB -0.379 18.639 19.000 0.030 0.000 0.816 121 A HN 0.176 nan 8.150 nan 0.000 0.458 122 E N 0.255 120.413 120.200 -0.071 0.000 2.038 122 E HA -0.153 4.197 4.350 0.000 0.000 0.195 122 E C -0.794 175.591 176.600 -0.358 0.000 1.000 122 E CA 1.595 57.902 56.400 -0.155 0.000 0.803 122 E CB -0.720 28.875 29.700 -0.175 0.000 0.750 122 E HN 0.526 nan 8.360 nan 0.000 0.448 123 P HA -0.042 nan 4.420 nan 0.000 0.249 123 P C 0.200 177.078 177.300 -0.703 0.000 1.241 123 P CA 0.821 63.641 63.100 -0.468 0.000 0.781 123 P CB 0.130 31.651 31.700 -0.299 0.000 1.088 124 R N -1.118 119.032 120.500 -0.583 0.000 2.397 124 R HA 0.114 4.454 4.340 0.000 0.000 0.241 124 R C -0.073 175.935 176.300 -0.487 0.000 0.914 124 R CA -0.316 55.477 56.100 -0.512 0.000 1.071 124 R CB -0.131 30.055 30.300 -0.191 0.000 1.116 124 R HN 0.307 nan 8.270 nan 0.000 0.524 125 H N -0.685 118.338 119.070 -0.078 0.000 4.512 125 H HA -0.204 4.352 4.556 0.000 0.000 0.252 125 H C -0.929 174.515 175.328 0.194 0.000 0.544 125 H CA 0.554 56.592 56.048 -0.017 0.000 0.682 125 H CB -0.572 29.028 29.762 -0.271 0.000 0.983 125 H HN 0.078 nan 8.280 nan 0.000 0.303 126 L N 1.443 122.948 121.223 0.471 0.000 2.409 126 L HA 0.529 4.869 4.340 0.000 0.000 0.272 126 L C -1.330 175.743 176.870 0.340 0.000 0.980 126 L CA -0.771 54.293 54.840 0.374 0.000 0.826 126 L CB 1.602 43.825 42.059 0.272 0.000 1.268 126 L HN 0.503 nan 8.230 nan 0.000 0.407 127 L N 6.126 127.406 121.223 0.094 0.000 2.280 127 L HA 0.606 4.946 4.340 0.000 0.000 0.287 127 L C -1.062 175.737 176.870 -0.119 0.000 1.023 127 L CA -0.241 54.439 54.840 -0.267 0.000 0.819 127 L CB 1.671 43.413 42.059 -0.528 0.000 1.212 127 L HN 0.416 nan 8.230 nan 0.000 0.420 128 V N 5.725 125.586 119.914 -0.088 0.000 2.288 128 V HA 0.300 4.420 4.120 0.000 0.000 0.266 128 V C 0.302 176.370 176.094 -0.043 0.000 1.048 128 V CA -0.502 61.780 62.300 -0.029 0.000 0.842 128 V CB 0.376 32.216 31.823 0.028 0.000 1.064 128 V HN 0.809 nan 8.190 nan 0.000 0.472 129 N N 3.711 122.384 118.700 -0.045 0.000 2.419 129 N HA 0.627 5.367 4.740 0.000 0.000 0.264 129 N C -0.039 175.468 175.510 -0.005 0.000 1.031 129 N CA 0.043 53.070 53.050 -0.038 0.000 0.951 129 N CB 1.220 39.678 38.487 -0.049 0.000 1.101 129 N HN 0.830 nan 8.380 nan 0.000 0.488 130 G N 1.285 110.086 108.800 0.001 0.000 2.633 130 G HA2 0.482 4.442 3.960 0.000 0.000 0.299 130 G HA3 0.482 4.442 3.960 0.000 0.000 0.299 130 G C -0.960 173.950 174.900 0.017 0.000 1.501 130 G CA -0.497 44.612 45.100 0.015 0.000 0.887 130 G HN 0.727 nan 8.290 nan 0.000 0.561 131 A N 0.781 123.612 122.820 0.018 0.000 2.407 131 A HA 0.641 4.961 4.320 0.000 0.000 0.257 131 A C 1.148 178.745 177.584 0.021 0.000 1.131 131 A CA 0.639 52.687 52.037 0.018 0.000 0.803 131 A CB -0.283 18.727 19.000 0.017 0.000 1.083 131 A HN 1.322 nan 8.150 nan 0.000 0.512 132 T N 0.109 114.676 114.554 0.020 0.000 2.940 132 T HA 0.419 4.769 4.350 0.000 0.000 0.309 132 T C 1.465 176.176 174.700 0.019 0.000 1.056 132 T CA 1.085 63.197 62.100 0.021 0.000 1.137 132 T CB 0.490 69.369 68.868 0.019 0.000 0.976 132 T HN 2.103 nan 8.240 nan 0.000 0.547 133 G N 2.152 110.964 108.800 0.019 0.000 2.189 133 G HA2 -0.360 3.600 3.960 0.000 0.000 0.267 133 G HA3 -0.360 3.600 3.960 0.000 0.000 0.267 133 G C 1.034 175.945 174.900 0.018 0.000 0.975 133 G CA 0.932 46.042 45.100 0.016 0.000 0.644 133 G HN 1.085 nan 8.290 nan 0.000 0.537 134 T N -2.316 112.250 114.554 0.021 0.000 3.072 134 T HA 0.392 4.742 4.350 0.000 0.000 0.266 134 T C 2.216 176.930 174.700 0.023 0.000 1.127 134 T CA 1.605 63.718 62.100 0.022 0.000 1.107 134 T CB 0.153 69.036 68.868 0.025 0.000 0.910 134 T HN 2.215 nan 8.240 nan 0.000 0.513 135 G N 1.160 109.976 108.800 0.027 0.000 2.143 135 G HA2 -0.199 3.761 3.960 0.000 0.000 0.175 135 G HA3 -0.199 3.761 3.960 0.000 0.000 0.175 135 G C 0.692 175.619 174.900 0.044 0.000 1.004 135 G CA 0.146 45.266 45.100 0.033 0.000 0.671 135 G HN 0.494 nan 8.290 nan 0.000 0.512 136 K N 1.002 121.429 120.400 0.045 0.000 2.032 136 K HA -0.113 4.207 4.320 0.000 0.000 0.209 136 K C 2.920 179.563 176.600 0.072 0.000 1.048 136 K CA 1.993 58.315 56.287 0.058 0.000 0.927 136 K CB -0.291 32.242 32.500 0.055 0.000 0.712 136 K HN 0.610 nan 8.250 nan 0.000 0.441 137 S N 1.094 116.830 115.700 0.060 0.000 2.359 137 S HA -0.145 4.325 4.470 0.000 0.000 0.224 137 S C 2.234 176.872 174.600 0.063 0.000 1.035 137 S CA 1.429 59.663 58.200 0.057 0.000 1.018 137 S CB -0.878 62.341 63.200 0.032 0.000 0.876 137 S HN 0.043 nan 8.310 nan 0.000 0.448 138 V N 2.248 122.201 119.914 0.066 0.000 2.287 138 V HA -0.163 3.957 4.120 0.000 0.000 0.248 138 V C 2.524 178.679 176.094 0.102 0.000 1.053 138 V CA 2.094 64.447 62.300 0.088 0.000 1.027 138 V CB -0.840 31.030 31.823 0.078 0.000 0.646 138 V HN 0.537 nan 8.190 nan 0.000 0.447 139 L N -1.053 120.225 121.223 0.092 0.000 2.046 139 L HA -0.192 4.148 4.340 0.000 0.000 0.208 139 L C 2.293 179.238 176.870 0.124 0.000 1.077 139 L CA 1.602 56.504 54.840 0.103 0.000 0.747 139 L CB -0.143 41.970 42.059 0.090 0.000 0.896 139 L HN 0.237 nan 8.230 nan 0.000 0.432 140 L N -0.295 121.007 121.223 0.133 0.000 2.141 140 L HA -0.177 4.163 4.340 0.000 0.000 0.209 140 L C 2.661 179.526 176.870 -0.007 0.000 1.094 140 L CA 1.511 56.456 54.840 0.174 0.000 0.763 140 L CB -0.717 41.473 42.059 0.218 0.000 0.908 140 L HN 0.209 nan 8.230 nan 0.000 0.437 141 R N -0.277 120.226 120.500 0.005 0.000 2.066 141 R HA -0.213 4.127 4.340 0.000 0.000 0.232 141 R C 2.299 178.576 176.300 -0.040 0.000 1.131 141 R CA 1.721 57.801 56.100 -0.033 0.000 0.955 141 R CB -0.152 30.169 30.300 0.036 0.000 0.851 141 R HN 0.492 nan 8.270 nan 0.000 0.432 142 E N 0.487 120.750 120.200 0.104 0.000 2.038 142 E HA -0.248 4.102 4.350 0.000 0.000 0.195 142 E C 2.069 178.708 176.600 0.065 0.000 1.000 142 E CA 1.415 57.927 56.400 0.187 0.000 0.803 142 E CB -0.236 29.577 29.700 0.188 0.000 0.750 142 E HN 0.375 nan 8.360 nan 0.000 0.448 143 L N 0.416 121.658 121.223 0.032 0.000 1.989 143 L HA -0.235 4.105 4.340 0.000 0.000 0.211 143 L C 2.698 179.446 176.870 -0.204 0.000 1.071 143 L CA 1.515 56.351 54.840 -0.007 0.000 0.749 143 L CB -0.494 41.679 42.059 0.189 0.000 0.890 143 L HN 0.349 nan 8.230 nan 0.000 0.431 144 A N -0.973 121.593 122.820 -0.424 0.000 1.865 144 A HA -0.329 3.991 4.320 0.000 0.000 0.217 144 A C 2.138 179.364 177.584 -0.597 0.000 1.191 144 A CA 1.974 53.544 52.037 -0.777 0.000 0.623 144 A CB -1.142 17.194 19.000 -1.107 0.000 0.826 144 A HN 0.547 nan 8.150 nan 0.000 0.444 145 Y N 2.044 121.882 120.300 -0.771 0.000 2.040 145 Y HA -0.307 4.243 4.550 0.000 0.000 0.275 145 Y C 2.935 178.611 175.900 -0.373 0.000 1.171 145 Y CA 2.771 60.420 58.100 -0.752 0.000 1.123 145 Y CB -1.253 36.911 38.460 -0.493 0.000 0.963 145 Y HN 0.470 nan 8.280 nan 0.000 0.493 146 T N -2.439 111.840 114.554 -0.459 0.000 2.803 146 T HA -0.123 4.227 4.350 0.000 0.000 0.269 146 T C 2.194 176.689 174.700 -0.341 0.000 1.052 146 T CA 1.405 63.238 62.100 -0.446 0.000 1.136 146 T CB -1.361 67.376 68.868 -0.218 0.000 0.864 146 T HN 0.438 nan 8.240 nan 0.000 0.467 147 G N 0.977 109.557 108.800 -0.366 0.000 2.421 147 G HA2 0.098 4.058 3.960 0.000 0.000 0.217 147 G HA3 0.098 4.058 3.960 0.000 0.000 0.217 147 G C 1.503 176.270 174.900 -0.221 0.000 1.143 147 G CA 0.389 45.288 45.100 -0.334 0.000 0.784 147 G HN 0.519 nan 8.290 nan 0.000 0.541 148 L N -0.013 121.045 121.223 -0.275 0.000 2.072 148 L HA 0.086 4.426 4.340 0.000 0.000 0.205 148 L C 2.765 179.550 176.870 -0.142 0.000 1.079 148 L CA 0.438 55.173 54.840 -0.174 0.000 0.752 148 L CB -0.365 41.574 42.059 -0.200 0.000 0.906 148 L HN 0.143 nan 8.230 nan 0.000 0.436 149 L N -0.342 120.733 121.223 -0.246 0.000 2.261 149 L HA -0.226 4.114 4.340 0.000 0.000 0.216 149 L C 2.590 179.392 176.870 -0.114 0.000 1.114 149 L CA 1.110 55.828 54.840 -0.204 0.000 0.777 149 L CB -0.469 41.380 42.059 -0.349 0.000 0.910 149 L HN 0.273 nan 8.230 nan 0.000 0.440 150 R N 0.107 120.548 120.500 -0.099 0.000 2.276 150 R HA 0.045 4.385 4.340 0.000 0.000 0.196 150 R C 1.120 177.419 176.300 -0.002 0.000 0.961 150 R CA 0.668 56.746 56.100 -0.036 0.000 1.024 150 R CB 0.274 30.569 30.300 -0.008 0.000 0.940 150 R HN 0.337 nan 8.270 nan 0.000 0.480 151 G N 1.362 110.159 108.800 -0.005 0.000 2.142 151 G HA2 -0.227 3.733 3.960 0.000 0.000 0.225 151 G HA3 -0.227 3.733 3.960 0.000 0.000 0.225 151 G C -0.906 174.025 174.900 0.053 0.000 1.015 151 G CA 0.204 45.317 45.100 0.022 0.000 0.716 151 G HN 0.411 nan 8.290 nan 0.000 0.508 152 D N -0.052 120.395 120.400 0.079 0.000 2.302 152 D HA 0.541 5.181 4.640 0.000 0.000 0.248 152 D C 1.062 177.464 176.300 0.170 0.000 1.094 152 D CA -0.101 54.002 54.000 0.172 0.000 0.897 152 D CB 0.629 41.631 40.800 0.337 0.000 1.200 152 D HN 0.330 nan 8.370 nan 0.000 0.429 153 R N 1.838 122.444 120.500 0.177 0.000 2.500 153 R HA 0.702 5.042 4.340 0.000 0.000 0.275 153 R C -0.023 176.445 176.300 0.280 0.000 1.051 153 R CA -0.483 55.709 56.100 0.153 0.000 1.088 153 R CB 0.869 31.183 30.300 0.023 0.000 1.063 153 R HN 0.553 nan 8.270 nan 0.000 0.511 154 M N -1.330 118.442 119.600 0.287 0.000 2.643 154 M HA 0.384 4.864 4.480 0.000 0.000 0.276 154 M C -1.604 174.879 176.300 0.304 0.000 1.200 154 M CA -1.147 54.370 55.300 0.362 0.000 0.863 154 M CB 1.793 34.634 32.600 0.401 0.000 1.711 154 M HN 0.173 nan 8.290 nan 0.000 0.492 155 V N 2.683 122.779 119.914 0.303 0.000 2.459 155 V HA 0.619 4.739 4.120 0.000 0.000 0.295 155 V C -0.530 175.653 176.094 0.148 0.000 1.029 155 V CA -0.448 61.945 62.300 0.154 0.000 0.874 155 V CB 1.822 33.751 31.823 0.177 0.000 0.985 155 V HN 0.732 nan 8.190 nan 0.000 0.438 156 I N 4.579 125.137 120.570 -0.021 0.000 2.439 156 I HA 0.329 4.499 4.170 0.000 0.000 0.285 156 I C -0.359 175.840 176.117 0.136 0.000 1.021 156 I CA -0.837 60.502 61.300 0.063 0.000 1.091 156 I CB 2.137 40.051 38.000 -0.143 0.000 1.242 156 I HN 0.274 nan 8.210 nan 0.000 0.439 157 V N 4.790 124.850 119.914 0.244 0.000 2.364 157 V HA 0.024 4.144 4.120 0.000 0.000 0.252 157 V C -0.092 176.180 176.094 0.297 0.000 1.075 157 V CA 0.204 62.717 62.300 0.355 0.000 1.033 157 V CB 0.262 32.310 31.823 0.374 0.000 1.116 157 V HN 0.640 nan 8.190 nan 0.000 0.488 158 D N 7.281 127.806 120.400 0.208 0.000 2.472 158 D HA 0.367 5.007 4.640 0.000 0.000 0.234 158 D C -2.703 173.335 176.300 -0.436 0.000 1.088 158 D CA -2.168 51.822 54.000 -0.016 0.000 0.882 158 D CB 1.643 42.517 40.800 0.125 0.000 1.037 158 D HN 0.254 nan 8.370 nan 0.000 0.520 159 P HA 0.126 nan 4.420 nan 0.000 0.267 159 P C -0.214 176.666 177.300 -0.700 0.000 1.209 159 P CA -0.003 62.351 63.100 -1.244 0.000 0.763 159 P CB 0.421 31.728 31.700 -0.655 0.000 0.816 160 N N 2.708 120.969 118.700 -0.733 0.000 2.753 160 N HA -0.200 4.540 4.740 0.000 0.000 0.251 160 N C 0.917 176.280 175.510 -0.244 0.000 1.097 160 N CA 1.610 54.423 53.050 -0.395 0.000 0.786 160 N CB -1.825 36.487 38.487 -0.292 0.000 1.137 160 N HN 0.839 nan 8.380 nan 0.000 0.566 161 G N 0.475 109.137 108.800 -0.230 0.000 2.233 161 G HA2 -0.388 3.572 3.960 0.000 0.000 0.270 161 G HA3 -0.388 3.572 3.960 0.000 0.000 0.270 161 G C 0.643 175.453 174.900 -0.149 0.000 1.011 161 G CA 1.397 46.420 45.100 -0.128 0.000 0.762 161 G HN 0.637 nan 8.290 nan 0.000 0.511 162 D N -0.310 119.992 120.400 -0.164 0.000 2.092 162 D HA -0.130 4.510 4.640 0.000 0.000 0.193 162 D C 2.557 178.724 176.300 -0.221 0.000 0.994 162 D CA 1.840 55.736 54.000 -0.174 0.000 0.828 162 D CB -0.120 40.589 40.800 -0.152 0.000 0.963 162 D HN 0.432 nan 8.370 nan 0.000 0.450 163 M N -0.460 119.062 119.600 -0.130 0.000 2.319 163 M HA -0.034 4.446 4.480 0.000 0.000 0.265 163 M C 2.111 178.362 176.300 -0.081 0.000 1.068 163 M CA 0.477 55.727 55.300 -0.083 0.000 1.118 163 M CB -0.323 32.394 32.600 0.194 0.000 1.395 163 M HN 0.222 nan 8.290 nan 0.000 0.435 164 L N 0.687 121.791 121.223 -0.200 0.000 2.056 164 L HA -0.139 4.201 4.340 0.000 0.000 0.207 164 L C 2.652 179.205 176.870 -0.528 0.000 1.078 164 L CA 2.182 56.556 54.840 -0.777 0.000 0.749 164 L CB -0.689 41.006 42.059 -0.606 0.000 0.901 164 L HN 0.340 nan 8.230 nan 0.000 0.433 165 S N -1.375 114.112 115.700 -0.356 0.000 2.423 165 S HA -0.130 4.340 4.470 0.000 0.000 0.231 165 S C 1.887 176.288 174.600 -0.332 0.000 1.014 165 S CA 0.817 58.844 58.200 -0.288 0.000 0.965 165 S CB -0.402 62.669 63.200 -0.214 0.000 0.785 165 S HN 0.464 nan 8.310 nan 0.000 0.495 166 K N 0.228 120.315 120.400 -0.523 0.000 2.168 166 K HA 0.233 4.553 4.320 0.000 0.000 0.201 166 K C 0.874 177.081 176.600 -0.656 0.000 1.049 166 K CA 0.737 56.578 56.287 -0.742 0.000 0.974 166 K CB -0.295 31.387 32.500 -1.363 0.000 0.792 166 K HN 0.571 nan 8.250 nan 0.000 0.463 167 F N 0.540 120.429 119.950 -0.100 0.000 2.706 167 F HA 0.310 4.837 4.527 0.000 0.000 0.313 167 F C 1.179 176.994 175.800 0.025 0.000 1.096 167 F CA -1.141 56.862 58.000 0.004 0.000 1.219 167 F CB -0.462 38.583 39.000 0.074 0.000 1.051 167 F HN -0.176 nan 8.300 nan 0.000 0.568 168 G N 2.763 111.478 108.800 -0.142 0.000 2.298 168 G HA2 0.242 4.202 3.960 0.000 0.000 0.263 168 G HA3 0.242 4.202 3.960 0.000 0.000 0.263 168 G C 0.431 175.295 174.900 -0.061 0.000 1.229 168 G CA -0.262 44.650 45.100 -0.312 0.000 0.976 168 G HN -0.114 nan 8.290 nan 0.000 0.459 169 R N 1.501 122.046 120.500 0.075 0.000 2.549 169 R HA 0.229 4.569 4.340 0.000 0.000 0.259 169 R C 1.186 177.513 176.300 0.046 0.000 1.095 169 R CA -1.197 54.948 56.100 0.075 0.000 1.148 169 R CB 0.483 30.856 30.300 0.121 0.000 1.181 169 R HN 0.619 nan 8.270 nan 0.000 0.571 170 D N 1.126 121.551 120.400 0.042 0.000 2.178 170 D HA -0.122 4.518 4.640 0.000 0.000 0.202 170 D C 1.016 177.348 176.300 0.053 0.000 0.974 170 D CA 1.088 55.106 54.000 0.029 0.000 0.841 170 D CB 0.512 41.327 40.800 0.025 0.000 0.953 170 D HN 0.455 nan 8.370 nan 0.000 0.478 171 K N 0.121 120.572 120.400 0.085 0.000 2.459 171 K HA 0.024 4.344 4.320 0.000 0.000 0.193 171 K C 0.216 176.913 176.600 0.162 0.000 1.030 171 K CA -0.001 56.353 56.287 0.111 0.000 1.026 171 K CB 0.329 32.897 32.500 0.112 0.000 0.809 171 K HN -0.104 nan 8.250 nan 0.000 0.504 172 D N 1.556 122.060 120.400 0.173 0.000 2.362 172 D HA 0.130 4.770 4.640 0.000 0.000 0.242 172 D C 0.307 176.701 176.300 0.157 0.000 1.132 172 D CA -0.187 53.964 54.000 0.251 0.000 0.907 172 D CB 0.865 41.890 40.800 0.376 0.000 1.195 172 D HN -0.032 nan 8.370 nan 0.000 0.429 173 I N 1.192 121.848 120.570 0.144 0.000 2.566 173 I HA 0.388 4.558 4.170 0.000 0.000 0.303 173 I C 0.486 176.537 176.117 -0.110 0.000 0.983 173 I CA -0.513 60.720 61.300 -0.113 0.000 1.235 173 I CB 0.863 38.617 38.000 -0.411 0.000 1.386 173 I HN 0.185 nan 8.210 nan 0.000 0.494 174 I N 5.378 125.799 120.570 -0.249 0.000 2.534 174 I HA 0.369 4.539 4.170 0.000 0.000 0.288 174 I C -0.882 175.028 176.117 -0.345 0.000 1.077 174 I CA -0.481 60.702 61.300 -0.194 0.000 1.051 174 I CB 2.520 40.452 38.000 -0.114 0.000 1.234 174 I HN 0.217 nan 8.210 nan 0.000 0.425 175 L N 6.321 127.310 121.223 -0.389 0.000 2.316 175 L HA 0.546 4.886 4.340 0.000 0.000 0.280 175 L C -0.758 175.989 176.870 -0.205 0.000 1.006 175 L CA -0.311 54.158 54.840 -0.617 0.000 0.836 175 L CB 1.312 42.520 42.059 -1.418 0.000 1.221 175 L HN 0.560 nan 8.230 nan 0.000 0.418 176 N N 5.299 124.031 118.700 0.054 0.000 2.905 176 N HA 0.152 4.892 4.740 0.000 0.000 0.255 176 N C -2.340 173.331 175.510 0.268 0.000 1.199 176 N CA -0.984 52.248 53.050 0.302 0.000 0.911 176 N CB 2.296 40.959 38.487 0.294 0.000 1.550 176 N HN 0.096 nan 8.380 nan 0.000 0.599 177 P HA -0.101 nan 4.420 nan 0.000 0.221 177 P C 0.239 177.387 177.300 -0.254 0.000 1.145 177 P CA 1.311 64.396 63.100 -0.024 0.000 0.795 177 P CB 0.109 31.720 31.700 -0.148 0.000 0.775 178 Y N -1.205 119.239 120.300 0.239 0.000 2.507 178 Y HA 0.289 4.839 4.550 0.000 0.000 0.254 178 Y C 0.857 176.982 175.900 0.375 0.000 1.171 178 Y CA -0.686 57.588 58.100 0.290 0.000 1.238 178 Y CB 0.166 38.810 38.460 0.307 0.000 1.148 178 Y HN -0.064 nan 8.280 nan 0.000 0.525 179 D N 0.720 121.335 120.400 0.357 0.000 2.217 179 D HA 0.053 4.693 4.640 0.000 0.000 0.243 179 D C 0.665 176.955 176.300 -0.017 0.000 1.054 179 D CA -0.117 53.951 54.000 0.113 0.000 0.838 179 D CB 1.761 42.676 40.800 0.192 0.000 1.162 179 D HN 0.219 nan 8.370 nan 0.000 0.472 180 Q N 2.885 122.615 119.800 -0.118 0.000 2.181 180 Q HA -0.148 4.192 4.340 0.000 0.000 0.205 180 Q C 1.344 177.301 176.000 -0.071 0.000 0.980 180 Q CA 1.313 57.064 55.803 -0.086 0.000 0.862 180 Q CB 0.296 28.966 28.738 -0.112 0.000 0.905 180 Q HN 0.426 nan 8.270 nan 0.000 0.429 181 R N -0.249 120.200 120.500 -0.085 0.000 2.307 181 R HA 0.037 4.377 4.340 0.000 0.000 0.199 181 R C 0.919 177.168 176.300 -0.085 0.000 1.000 181 R CA 0.382 56.433 56.100 -0.081 0.000 1.023 181 R CB -0.133 30.111 30.300 -0.093 0.000 0.908 181 R HN 0.059 nan 8.270 nan 0.000 0.473 182 T N 1.200 115.713 114.554 -0.069 0.000 2.906 182 T HA -0.001 4.349 4.350 0.000 0.000 0.320 182 T C 0.254 174.883 174.700 -0.117 0.000 1.088 182 T CA -0.012 62.030 62.100 -0.097 0.000 1.120 182 T CB 0.482 69.330 68.868 -0.033 0.000 1.000 182 T HN -0.071 nan 8.240 nan 0.000 0.550 183 K N 2.221 122.491 120.400 -0.218 0.000 2.098 183 K HA 0.451 4.771 4.320 0.000 0.000 0.257 183 K C 0.570 177.164 176.600 -0.010 0.000 0.999 183 K CA -0.475 55.696 56.287 -0.193 0.000 0.924 183 K CB 0.920 33.084 32.500 -0.561 0.000 1.028 183 K HN 0.770 nan 8.250 nan 0.000 0.466 184 G N 0.162 109.029 108.800 0.112 0.000 2.420 184 G HA2 0.420 4.380 3.960 0.000 0.000 0.284 184 G HA3 0.420 4.380 3.960 0.000 0.000 0.284 184 G C -1.438 173.698 174.900 0.394 0.000 1.177 184 G CA -0.386 44.837 45.100 0.204 0.000 0.841 184 G HN 0.630 nan 8.290 nan 0.000 0.527 185 W N 1.177 122.591 121.300 0.191 0.000 3.298 185 W HA 0.522 5.182 4.660 0.000 0.000 0.302 185 W C -0.820 175.877 176.519 0.296 0.000 1.255 185 W CA -0.548 56.957 57.345 0.267 0.000 1.196 185 W CB 1.442 31.110 29.460 0.346 0.000 1.364 185 W HN 1.015 nan 8.180 nan 0.000 0.566 186 S N 3.692 118.911 115.700 -0.802 0.000 2.537 186 S HA 0.333 4.803 4.470 0.000 0.000 0.271 186 S C 0.124 173.810 174.600 -1.524 0.000 1.148 186 S CA -0.293 57.392 58.200 -0.859 0.000 0.868 186 S CB 0.404 63.514 63.200 -0.150 0.000 1.115 186 S HN 1.173 nan 8.310 nan 0.000 0.461 187 F N 1.602 120.785 119.950 -1.279 0.000 2.287 187 F HA 0.095 4.622 4.527 0.000 0.000 0.301 187 F C 1.222 176.729 175.800 -0.490 0.000 1.069 187 F CA 0.686 58.270 58.000 -0.695 0.000 1.372 187 F CB -0.996 37.870 39.000 -0.223 0.000 1.056 187 F HN 0.515 nan 8.300 nan 0.000 0.523 188 F N 1.786 120.987 119.950 -1.248 0.000 2.192 188 F HA -0.224 4.303 4.527 0.000 0.000 0.301 188 F C 2.007 177.455 175.800 -0.586 0.000 1.079 188 F CA 1.731 59.188 58.000 -0.905 0.000 1.303 188 F CB -1.031 37.603 39.000 -0.611 0.000 1.024 188 F HN 0.055 nan 8.300 nan 0.000 0.494 189 N N 0.153 118.643 118.700 -0.349 0.000 2.519 189 N HA -0.125 4.615 4.740 0.000 0.000 0.186 189 N C 1.243 176.598 175.510 -0.259 0.000 1.062 189 N CA 0.836 53.731 53.050 -0.258 0.000 0.910 189 N CB -0.327 38.027 38.487 -0.222 0.000 0.958 189 N HN 0.377 nan 8.380 nan 0.000 0.445 190 E N 0.008 119.984 120.200 -0.373 0.000 2.481 190 E HA 0.116 4.466 4.350 0.000 0.000 0.198 190 E C 0.257 176.510 176.600 -0.579 0.000 1.027 190 E CA -0.120 55.986 56.400 -0.489 0.000 0.900 190 E CB 0.639 29.864 29.700 -0.790 0.000 0.993 190 E HN 0.214 nan 8.360 nan 0.000 0.482 191 I N 2.316 122.565 120.570 -0.536 0.000 2.379 191 I HA 0.090 4.260 4.170 0.000 0.000 0.290 191 I C 1.435 177.325 176.117 -0.378 0.000 1.063 191 I CA 0.239 61.192 61.300 -0.579 0.000 1.351 191 I CB 0.608 38.046 38.000 -0.937 0.000 1.410 191 I HN -0.099 nan 8.210 nan 0.000 0.505 192 R N 3.945 124.256 120.500 -0.315 0.000 2.144 192 R HA 0.268 4.608 4.340 0.000 0.000 0.195 192 R C 0.308 176.500 176.300 -0.180 0.000 1.077 192 R CA 0.223 56.205 56.100 -0.197 0.000 1.120 192 R CB 0.185 30.403 30.300 -0.137 0.000 1.060 192 R HN 0.564 nan 8.270 nan 0.000 0.520 193 N N 0.853 119.395 118.700 -0.263 0.000 2.525 193 N HA 0.034 4.774 4.740 0.000 0.000 0.288 193 N C 0.147 175.535 175.510 -0.204 0.000 1.242 193 N CA -0.254 52.680 53.050 -0.193 0.000 0.905 193 N CB 1.477 39.848 38.487 -0.194 0.000 1.258 193 N HN -0.032 nan 8.380 nan 0.000 0.551 194 D N -0.350 120.065 120.400 0.025 0.000 2.178 194 D HA -0.185 4.455 4.640 0.000 0.000 0.202 194 D C 1.668 178.114 176.300 0.243 0.000 0.974 194 D CA 1.356 55.489 54.000 0.221 0.000 0.841 194 D CB -0.007 40.949 40.800 0.259 0.000 0.953 194 D HN 0.657 nan 8.370 nan 0.000 0.478 195 Y N -0.901 119.485 120.300 0.144 0.000 2.571 195 Y HA 0.126 4.676 4.550 0.000 0.000 0.294 195 Y C 1.254 177.224 175.900 0.118 0.000 1.141 195 Y CA 0.448 58.626 58.100 0.130 0.000 1.308 195 Y CB -0.474 38.032 38.460 0.077 0.000 1.002 195 Y HN -0.147 nan 8.280 nan 0.000 0.551 196 D N 0.313 120.467 120.400 -0.410 0.000 2.310 196 D HA -0.144 4.496 4.640 0.000 0.000 0.212 196 D C 1.282 177.614 176.300 0.053 0.000 0.965 196 D CA 1.034 54.905 54.000 -0.216 0.000 0.879 196 D CB -0.459 40.166 40.800 -0.291 0.000 0.921 196 D HN 0.569 nan 8.370 nan 0.000 0.510 197 W N 1.075 122.455 121.300 0.134 0.000 2.354 197 W HA -0.196 4.464 4.660 0.000 0.000 0.315 197 W C 2.699 179.304 176.519 0.143 0.000 1.206 197 W CA 0.576 58.022 57.345 0.168 0.000 1.290 197 W CB -0.368 29.165 29.460 0.122 0.000 1.152 197 W HN -0.039 nan 8.180 nan 0.000 0.489 198 Q N 1.092 121.097 119.800 0.341 0.000 2.079 198 Q HA -0.176 4.164 4.340 0.000 0.000 0.200 198 Q C 2.183 178.248 176.000 0.109 0.000 0.974 198 Q CA 1.825 57.748 55.803 0.198 0.000 0.840 198 Q CB -0.579 28.255 28.738 0.160 0.000 0.898 198 Q HN 0.194 nan 8.270 nan 0.000 0.430 199 R N -1.169 119.376 120.500 0.075 0.000 2.113 199 R HA -0.214 4.126 4.340 0.000 0.000 0.244 199 R C 1.435 177.552 176.300 -0.306 0.000 1.142 199 R CA 2.001 58.025 56.100 -0.126 0.000 0.953 199 R CB -0.342 29.846 30.300 -0.185 0.000 0.860 199 R HN 0.416 nan 8.270 nan 0.000 0.438 200 Y N -0.865 119.492 120.300 0.095 0.000 2.523 200 Y HA 0.222 4.772 4.550 0.000 0.000 0.279 200 Y C 2.037 177.935 175.900 -0.002 0.000 1.139 200 Y CA 0.416 58.573 58.100 0.094 0.000 1.296 200 Y CB 0.145 38.702 38.460 0.162 0.000 1.045 200 Y HN 0.206 nan 8.280 nan 0.000 0.538 201 A N -0.331 122.537 122.820 0.080 0.000 2.014 201 A HA -0.091 4.229 4.320 0.000 0.000 0.218 201 A C 1.941 179.507 177.584 -0.030 0.000 1.163 201 A CA 1.066 53.084 52.037 -0.032 0.000 0.652 201 A CB -0.589 18.436 19.000 0.041 0.000 0.808 201 A HN 0.316 nan 8.150 nan 0.000 0.449 202 L N 0.028 121.249 121.223 -0.005 0.000 2.275 202 L HA -0.038 4.302 4.340 0.000 0.000 0.215 202 L C 2.455 179.325 176.870 0.001 0.000 1.119 202 L CA 1.844 56.678 54.840 -0.010 0.000 0.790 202 L CB -0.982 41.064 42.059 -0.022 0.000 0.919 202 L HN 0.345 nan 8.230 nan 0.000 0.443 203 S N -1.538 114.179 115.700 0.028 0.000 2.388 203 S HA -0.041 4.429 4.470 0.000 0.000 0.223 203 S C 2.016 176.657 174.600 0.069 0.000 1.034 203 S CA 0.789 59.043 58.200 0.090 0.000 0.963 203 S CB 0.004 63.340 63.200 0.227 0.000 0.827 203 S HN 0.209 nan 8.310 nan 0.000 0.481 204 V N 1.479 121.390 119.914 -0.004 0.000 2.358 204 V HA 0.011 4.131 4.120 0.000 0.000 0.246 204 V C 0.744 176.795 176.094 -0.072 0.000 1.047 204 V CA 0.999 63.235 62.300 -0.106 0.000 1.035 204 V CB -0.337 31.226 31.823 -0.434 0.000 0.658 204 V HN 0.271 nan 8.190 nan 0.000 0.452 205 V N 3.354 123.232 119.914 -0.060 0.000 2.239 205 V HA 0.310 4.430 4.120 0.000 0.000 0.267 205 V C -2.099 173.988 176.094 -0.013 0.000 1.056 205 V CA -1.741 60.545 62.300 -0.024 0.000 0.830 205 V CB 0.816 32.631 31.823 -0.013 0.000 1.090 205 V HN 0.316 nan 8.190 nan 0.000 0.459 206 P HA 0.104 nan 4.420 nan 0.000 0.271 206 P C -0.125 177.149 177.300 -0.042 0.000 1.244 206 P CA -0.427 62.656 63.100 -0.028 0.000 0.793 206 P CB 0.752 32.427 31.700 -0.041 0.000 0.984 207 R N -0.013 120.447 120.500 -0.066 0.000 2.623 207 R HA 0.199 4.539 4.340 0.000 0.000 0.271 207 R C 1.057 177.300 176.300 -0.095 0.000 1.043 207 R CA 0.330 56.383 56.100 -0.080 0.000 1.083 207 R CB -0.762 29.482 30.300 -0.093 0.000 0.974 207 R HN 0.628 nan 8.270 nan 0.000 0.436 208 G N 1.317 110.066 108.800 -0.085 0.000 2.483 208 G HA2 -0.018 3.942 3.960 0.000 0.000 0.248 208 G HA3 -0.018 3.942 3.960 0.000 0.000 0.248 208 G C 0.894 175.727 174.900 -0.111 0.000 1.248 208 G CA -0.388 44.659 45.100 -0.087 0.000 0.838 208 G HN 0.650 nan 8.290 nan 0.000 0.566 209 K N -0.060 120.281 120.400 -0.098 0.000 2.032 209 K HA -0.086 4.234 4.320 0.000 0.000 0.209 209 K C 1.507 178.049 176.600 -0.096 0.000 1.048 209 K CA 1.659 57.889 56.287 -0.096 0.000 0.927 209 K CB -0.203 32.257 32.500 -0.066 0.000 0.712 209 K HN 0.639 nan 8.250 nan 0.000 0.441 210 T N -2.051 112.431 114.554 -0.120 0.000 2.952 210 T HA 0.172 4.522 4.350 0.000 0.000 0.286 210 T C 0.515 175.104 174.700 -0.186 0.000 1.024 210 T CA -0.905 61.112 62.100 -0.139 0.000 1.029 210 T CB 1.460 70.238 68.868 -0.151 0.000 1.094 210 T HN -0.041 nan 8.240 nan 0.000 0.515 211 D N 0.091 120.389 120.400 -0.170 0.000 2.149 211 D HA -0.119 4.521 4.640 0.000 0.000 0.198 211 D C 1.718 177.846 176.300 -0.287 0.000 0.990 211 D CA 1.398 55.289 54.000 -0.183 0.000 0.839 211 D CB 0.005 40.724 40.800 -0.135 0.000 0.948 211 D HN 0.867 nan 8.370 nan 0.000 0.460 212 E N 0.216 120.190 120.200 -0.376 0.000 2.072 212 E HA -0.087 4.263 4.350 0.000 0.000 0.190 212 E C 1.990 177.954 176.600 -1.061 0.000 0.982 212 E CA 0.818 56.832 56.400 -0.644 0.000 0.803 212 E CB 0.047 29.376 29.700 -0.618 0.000 0.755 212 E HN 0.141 nan 8.360 nan 0.000 0.453 213 A N 1.058 123.400 122.820 -0.796 0.000 1.972 213 A HA -0.211 4.109 4.320 0.000 0.000 0.219 213 A C 1.999 179.409 177.584 -0.290 0.000 1.169 213 A CA 1.777 53.474 52.037 -0.567 0.000 0.635 213 A CB -0.484 18.390 19.000 -0.210 0.000 0.810 213 A HN 0.310 nan 8.150 nan 0.000 0.446 214 E N 0.342 120.376 120.200 -0.278 0.000 2.274 214 E HA -0.142 4.208 4.350 0.000 0.000 0.194 214 E C 1.824 178.289 176.600 -0.225 0.000 0.996 214 E CA 1.345 57.635 56.400 -0.182 0.000 0.840 214 E CB -0.276 29.331 29.700 -0.155 0.000 0.772 214 E HN 0.710 nan 8.360 nan 0.000 0.491 215 E N -0.675 119.312 120.200 -0.355 0.000 2.072 215 E HA -0.155 4.195 4.350 0.000 0.000 0.191 215 E C 1.285 177.640 176.600 -0.407 0.000 0.985 215 E CA 1.199 57.351 56.400 -0.413 0.000 0.801 215 E CB -0.181 29.281 29.700 -0.396 0.000 0.750 215 E HN 0.378 nan 8.360 nan 0.000 0.452 216 W N 0.520 121.728 121.300 -0.154 0.000 2.381 216 W HA 0.043 4.703 4.660 0.000 0.000 0.301 216 W C 2.465 178.991 176.519 0.012 0.000 1.205 216 W CA 0.790 58.148 57.345 0.021 0.000 1.285 216 W CB -1.284 28.243 29.460 0.112 0.000 1.133 216 W HN 0.188 nan 8.180 nan 0.000 0.521 217 A N 0.398 123.332 122.820 0.190 0.000 1.940 217 A HA -0.259 4.061 4.320 0.000 0.000 0.219 217 A C 2.294 179.916 177.584 0.062 0.000 1.176 217 A CA 2.744 54.849 52.037 0.113 0.000 0.631 217 A CB -1.212 17.813 19.000 0.043 0.000 0.814 217 A HN 0.224 nan 8.150 nan 0.000 0.446 218 S N -1.447 114.226 115.700 -0.046 0.000 2.370 218 S HA -0.206 4.264 4.470 0.000 0.000 0.226 218 S C 1.951 176.585 174.600 0.056 0.000 1.033 218 S CA 1.835 59.988 58.200 -0.079 0.000 1.011 218 S CB -0.585 62.471 63.200 -0.239 0.000 0.852 218 S HN 0.583 nan 8.310 nan 0.000 0.457 219 Y N 1.775 122.199 120.300 0.206 0.000 2.242 219 Y HA 0.157 4.707 4.550 0.000 0.000 0.291 219 Y C 2.898 178.967 175.900 0.282 0.000 1.137 219 Y CA 0.291 58.575 58.100 0.308 0.000 1.181 219 Y CB -1.436 37.248 38.460 0.374 0.000 0.989 219 Y HN 0.386 nan 8.280 nan 0.000 0.527 220 G N 0.025 109.028 108.800 0.339 0.000 2.440 220 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 220 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 220 G C 1.824 176.817 174.900 0.154 0.000 1.154 220 G CA 0.783 46.006 45.100 0.205 0.000 0.767 220 G HN 0.302 nan 8.290 nan 0.000 0.552 221 R N -0.531 120.047 120.500 0.129 0.000 2.092 221 R HA 0.019 4.359 4.340 0.000 0.000 0.231 221 R C 2.453 178.823 176.300 0.116 0.000 1.119 221 R CA 1.002 57.154 56.100 0.086 0.000 0.970 221 R CB -0.540 29.795 30.300 0.058 0.000 0.864 221 R HN 0.391 nan 8.270 nan 0.000 0.440 222 L N 1.250 122.575 121.223 0.170 0.000 1.970 222 L HA -0.168 4.172 4.340 0.000 0.000 0.212 222 L C 2.127 179.115 176.870 0.195 0.000 1.071 222 L CA 1.599 56.533 54.840 0.157 0.000 0.751 222 L CB -0.765 41.391 42.059 0.161 0.000 0.889 222 L HN 0.106 nan 8.230 nan 0.000 0.432 223 L N -0.946 120.470 121.223 0.322 0.000 2.079 223 L HA -0.190 4.150 4.340 0.000 0.000 0.210 223 L C 2.291 179.246 176.870 0.141 0.000 1.081 223 L CA 1.969 56.968 54.840 0.265 0.000 0.752 223 L CB -0.837 41.314 42.059 0.154 0.000 0.896 223 L HN 0.462 nan 8.230 nan 0.000 0.433 224 L N 0.162 121.449 121.223 0.108 0.000 1.988 224 L HA -0.160 4.180 4.340 0.000 0.000 0.207 224 L C 2.858 179.776 176.870 0.081 0.000 1.071 224 L CA 2.248 57.129 54.840 0.069 0.000 0.744 224 L CB -0.832 41.222 42.059 -0.008 0.000 0.893 224 L HN 0.503 nan 8.230 nan 0.000 0.433 225 R N -0.974 119.572 120.500 0.078 0.000 2.120 225 R HA -0.183 4.157 4.340 0.000 0.000 0.234 225 R C 1.976 178.208 176.300 -0.114 0.000 1.123 225 R CA 1.676 57.816 56.100 0.066 0.000 0.975 225 R CB -0.514 29.866 30.300 0.133 0.000 0.866 225 R HN 0.334 nan 8.270 nan 0.000 0.446 226 E N 0.372 120.540 120.200 -0.052 0.000 2.076 226 E HA -0.037 4.313 4.350 0.000 0.000 0.190 226 E C 1.730 178.276 176.600 -0.090 0.000 0.979 226 E CA 1.829 58.164 56.400 -0.108 0.000 0.807 226 E CB -0.084 29.589 29.700 -0.045 0.000 0.761 226 E HN 0.368 nan 8.360 nan 0.000 0.454 227 T N 0.091 114.670 114.554 0.042 0.000 2.701 227 T HA -0.106 4.244 4.350 0.000 0.000 0.263 227 T C 1.847 176.659 174.700 0.187 0.000 1.040 227 T CA 1.453 63.670 62.100 0.195 0.000 1.147 227 T CB -0.454 68.561 68.868 0.245 0.000 0.865 227 T HN 0.279 nan 8.240 nan 0.000 0.426 228 A N 1.469 124.370 122.820 0.134 0.000 1.933 228 A HA -0.116 4.204 4.320 0.000 0.000 0.218 228 A C 2.227 179.742 177.584 -0.115 0.000 1.175 228 A CA 1.780 53.941 52.037 0.205 0.000 0.628 228 A CB -0.518 18.644 19.000 0.269 0.000 0.814 228 A HN 0.439 nan 8.150 nan 0.000 0.444 229 K N -0.200 119.812 120.400 -0.646 0.000 2.057 229 K HA -0.171 4.149 4.320 0.000 0.000 0.207 229 K C 2.176 178.571 176.600 -0.341 0.000 1.049 229 K CA 1.733 57.428 56.287 -0.988 0.000 0.931 229 K CB -0.160 31.721 32.500 -1.033 0.000 0.714 229 K HN 0.483 nan 8.250 nan 0.000 0.440 230 K N 0.752 121.026 120.400 -0.210 0.000 2.057 230 K HA -0.082 4.238 4.320 0.000 0.000 0.206 230 K C 2.149 178.754 176.600 0.008 0.000 1.050 230 K CA 0.905 57.098 56.287 -0.156 0.000 0.935 230 K CB -0.034 32.256 32.500 -0.351 0.000 0.715 230 K HN 0.105 nan 8.250 nan 0.000 0.439 231 L N 0.609 121.931 121.223 0.166 0.000 2.042 231 L HA -0.187 4.153 4.340 0.000 0.000 0.210 231 L C 2.614 179.537 176.870 0.089 0.000 1.076 231 L CA 1.307 56.271 54.840 0.207 0.000 0.749 231 L CB -0.579 41.657 42.059 0.295 0.000 0.893 231 L HN 0.315 nan 8.230 nan 0.000 0.432 232 A N -0.205 122.692 122.820 0.129 0.000 1.933 232 A HA -0.155 4.165 4.320 0.000 0.000 0.218 232 A C 2.265 179.895 177.584 0.077 0.000 1.175 232 A CA 1.321 53.435 52.037 0.128 0.000 0.628 232 A CB -0.520 18.732 19.000 0.419 0.000 0.814 232 A HN 0.357 nan 8.150 nan 0.000 0.444 233 L N -0.096 121.155 121.223 0.048 0.000 2.044 233 L HA -0.105 4.235 4.340 0.000 0.000 0.205 233 L C 2.478 179.353 176.870 0.008 0.000 1.075 233 L CA 1.577 56.428 54.840 0.019 0.000 0.747 233 L CB -0.489 41.556 42.059 -0.025 0.000 0.903 233 L HN 0.655 nan 8.230 nan 0.000 0.435 234 I N -2.797 117.780 120.570 0.011 0.000 3.176 234 I HA 0.090 4.260 4.170 0.000 0.000 0.275 234 I C 1.310 177.437 176.117 0.018 0.000 1.298 234 I CA 0.896 62.207 61.300 0.019 0.000 1.445 234 I CB -0.631 37.398 38.000 0.048 0.000 1.075 234 I HN 0.384 nan 8.210 nan 0.000 0.482 235 G N 2.061 110.864 108.800 0.005 0.000 2.157 235 G HA2 -0.258 3.702 3.960 0.000 0.000 0.239 235 G HA3 -0.258 3.702 3.960 0.000 0.000 0.239 235 G C 0.469 175.345 174.900 -0.041 0.000 0.982 235 G CA 0.339 45.429 45.100 -0.017 0.000 0.650 235 G HN 0.716 nan 8.290 nan 0.000 0.527 236 T N -0.959 113.576 114.554 -0.032 0.000 3.377 236 T HA 0.608 4.958 4.350 0.000 0.000 0.270 236 T C -1.829 172.786 174.700 -0.141 0.000 1.586 236 T CA -1.129 60.941 62.100 -0.050 0.000 1.487 236 T CB 1.633 70.519 68.868 0.031 0.000 0.994 236 T HN 0.181 nan 8.240 nan 0.000 0.689 237 P HA 0.153 nan 4.420 nan 0.000 0.237 237 P C -0.099 176.746 177.300 -0.759 0.000 1.701 237 P CA 0.021 62.538 63.100 -0.971 0.000 0.955 237 P CB -0.274 30.696 31.700 -1.216 0.000 1.937 238 S N 1.750 117.309 115.700 -0.236 0.000 2.452 238 S HA 0.262 4.732 4.470 0.000 0.000 0.284 238 S C 1.504 176.220 174.600 0.194 0.000 1.171 238 S CA -0.640 57.550 58.200 -0.016 0.000 1.064 238 S CB 0.263 63.477 63.200 0.024 0.000 0.967 238 S HN -0.043 nan 8.310 nan 0.000 0.484 239 M N 4.418 124.161 119.600 0.239 0.000 2.149 239 M HA -0.072 4.408 4.480 0.000 0.000 0.261 239 M C 2.110 178.566 176.300 0.259 0.000 1.064 239 M CA 1.502 56.996 55.300 0.324 0.000 1.102 239 M CB -1.336 31.419 32.600 0.259 0.000 1.369 239 M HN 0.806 nan 8.290 nan 0.000 0.408 240 R N 0.223 120.825 120.500 0.170 0.000 2.083 240 R HA -0.162 4.178 4.340 0.000 0.000 0.237 240 R C 1.945 178.363 176.300 0.196 0.000 1.137 240 R CA 1.463 57.654 56.100 0.151 0.000 0.951 240 R CB -0.046 30.298 30.300 0.074 0.000 0.851 240 R HN 0.285 nan 8.270 nan 0.000 0.434 241 E N 0.663 120.962 120.200 0.165 0.000 2.106 241 E HA -0.169 4.181 4.350 0.000 0.000 0.192 241 E C 1.991 178.760 176.600 0.282 0.000 0.984 241 E CA 0.736 57.235 56.400 0.165 0.000 0.806 241 E CB -0.217 29.589 29.700 0.177 0.000 0.750 241 E HN 0.251 nan 8.360 nan 0.000 0.458 242 L N 0.404 121.832 121.223 0.342 0.000 2.012 242 L HA -0.174 4.166 4.340 0.000 0.000 0.210 242 L C 2.219 179.275 176.870 0.310 0.000 1.073 242 L CA 1.593 56.655 54.840 0.371 0.000 0.748 242 L CB -0.787 41.534 42.059 0.437 0.000 0.891 242 L HN 0.032 nan 8.230 nan 0.000 0.431 243 F N -0.487 119.547 119.950 0.140 0.000 2.171 243 F HA -0.211 4.316 4.527 0.000 0.000 0.300 243 F C 2.616 178.419 175.800 0.006 0.000 1.090 243 F CA 1.953 59.998 58.000 0.074 0.000 1.293 243 F CB -0.466 38.583 39.000 0.080 0.000 1.013 243 F HN 0.456 nan 8.300 nan 0.000 0.486 244 H N -1.375 117.691 119.070 -0.007 0.000 2.267 244 H HA -0.229 4.327 4.556 0.000 0.000 0.297 244 H C 2.145 177.250 175.328 -0.373 0.000 1.080 244 H CA 2.638 58.525 56.048 -0.269 0.000 1.278 244 H CB -0.961 28.552 29.762 -0.413 0.000 1.365 244 H HN 0.369 nan 8.280 nan 0.000 0.489 245 W N 0.489 121.598 121.300 -0.319 0.000 2.354 245 W HA -0.183 4.477 4.660 -0.000 0.000 0.315 245 W C 2.979 179.296 176.519 -0.337 0.000 1.206 245 W CA 1.881 58.978 57.345 -0.414 0.000 1.290 245 W CB -0.661 28.519 29.460 -0.466 0.000 1.152 245 W HN 0.405 nan 8.180 nan 0.000 0.489 246 T N -3.569 110.983 114.554 -0.003 0.000 2.915 246 T HA -0.155 4.195 4.350 0.000 0.000 0.269 246 T C 1.395 175.947 174.700 -0.246 0.000 1.071 246 T CA 1.802 63.850 62.100 -0.087 0.000 1.132 246 T CB -0.603 68.251 68.868 -0.023 0.000 0.878 246 T HN 0.237 nan 8.240 nan 0.000 0.479 247 T N -2.421 111.887 114.554 -0.410 0.000 3.046 247 T HA 0.398 4.748 4.350 0.000 0.000 0.270 247 T C 1.437 175.855 174.700 -0.470 0.000 0.920 247 T CA -0.384 61.422 62.100 -0.489 0.000 0.874 247 T CB 0.153 68.597 68.868 -0.707 0.000 1.214 247 T HN 0.251 nan 8.240 nan 0.000 0.536 248 I N 1.849 122.105 120.570 -0.523 0.000 3.300 248 I HA 0.473 4.643 4.170 0.000 0.000 0.279 248 I C 1.720 177.549 176.117 -0.479 0.000 1.172 248 I CA 0.024 61.056 61.300 -0.447 0.000 1.431 248 I CB -1.248 36.532 38.000 -0.365 0.000 1.240 248 I HN 0.338 nan 8.210 nan 0.000 0.453 249 A N 2.111 124.475 122.820 -0.759 0.000 2.507 249 A HA 0.244 4.564 4.320 0.000 0.000 0.235 249 A C 0.934 178.397 177.584 -0.201 0.000 1.070 249 A CA 0.327 52.039 52.037 -0.542 0.000 0.768 249 A CB -0.351 18.336 19.000 -0.522 0.000 1.011 249 A HN 0.510 nan 8.150 nan 0.000 0.502 250 T N -0.648 113.859 114.554 -0.078 0.000 2.856 250 T HA 0.205 4.555 4.350 0.000 0.000 0.306 250 T C 0.863 175.612 174.700 0.082 0.000 1.062 250 T CA 0.266 62.370 62.100 0.008 0.000 1.083 250 T CB 0.104 68.993 68.868 0.035 0.000 0.984 250 T HN 0.484 nan 8.240 nan 0.000 0.542 251 F N 1.616 121.517 119.950 -0.081 0.000 2.087 251 F HA -0.155 4.372 4.527 0.000 0.000 0.299 251 F C 1.936 177.722 175.800 -0.024 0.000 1.100 251 F CA 2.361 60.315 58.000 -0.077 0.000 1.226 251 F CB -0.577 38.370 39.000 -0.088 0.000 0.983 251 F HN 0.664 nan 8.300 nan 0.000 0.479 252 D N -0.154 120.345 120.400 0.165 0.000 2.117 252 D HA -0.161 4.479 4.640 0.000 0.000 0.197 252 D C 1.968 178.314 176.300 0.077 0.000 0.987 252 D CA 1.544 55.599 54.000 0.091 0.000 0.829 252 D CB -0.601 40.258 40.800 0.097 0.000 0.961 252 D HN 0.289 nan 8.370 nan 0.000 0.460 253 D N 0.383 120.857 120.400 0.124 0.000 2.097 253 D HA -0.107 4.533 4.640 0.000 0.000 0.195 253 D C 2.249 178.720 176.300 0.286 0.000 0.989 253 D CA 0.223 54.363 54.000 0.233 0.000 0.827 253 D CB -0.392 40.581 40.800 0.287 0.000 0.966 253 D HN 0.169 nan 8.370 nan 0.000 0.456 254 L N 0.743 122.094 121.223 0.214 0.000 2.012 254 L HA -0.211 4.129 4.340 0.000 0.000 0.210 254 L C 2.529 179.404 176.870 0.009 0.000 1.073 254 L CA 1.309 56.240 54.840 0.153 0.000 0.748 254 L CB -0.032 42.014 42.059 -0.021 0.000 0.891 254 L HN -0.021 nan 8.230 nan 0.000 0.431 255 R N -0.196 120.256 120.500 -0.079 0.000 2.096 255 R HA -0.186 4.154 4.340 0.000 0.000 0.240 255 R C 2.107 178.378 176.300 -0.049 0.000 1.139 255 R CA 1.602 57.646 56.100 -0.094 0.000 0.952 255 R CB -1.303 28.939 30.300 -0.097 0.000 0.854 255 R HN 0.537 nan 8.270 nan 0.000 0.436 256 G N 0.062 108.858 108.800 -0.007 0.000 2.418 256 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 256 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 256 G C 1.380 176.229 174.900 -0.084 0.000 1.158 256 G CA 0.426 45.515 45.100 -0.018 0.000 0.771 256 G HN 0.302 nan 8.290 nan 0.000 0.545 257 F N 1.302 121.067 119.950 -0.308 0.000 2.126 257 F HA 0.009 4.536 4.527 0.000 0.000 0.299 257 F C 2.363 177.941 175.800 -0.369 0.000 1.096 257 F CA 1.135 58.802 58.000 -0.555 0.000 1.255 257 F CB -0.156 38.130 39.000 -1.190 0.000 0.997 257 F HN 0.038 nan 8.300 nan 0.000 0.479 258 L N -0.073 121.008 121.223 -0.236 0.000 2.362 258 L HA -0.093 4.247 4.340 0.000 0.000 0.219 258 L C 0.662 177.393 176.870 -0.232 0.000 1.134 258 L CA 0.403 55.103 54.840 -0.234 0.000 0.807 258 L CB -0.802 41.218 42.059 -0.064 0.000 0.927 258 L HN 0.034 nan 8.230 nan 0.000 0.447 259 E N 0.289 120.369 120.200 -0.200 0.000 2.558 259 E HA 0.090 4.440 4.350 0.000 0.000 0.255 259 E C 1.061 177.541 176.600 -0.201 0.000 0.968 259 E CA 0.693 56.998 56.400 -0.159 0.000 0.939 259 E CB 0.278 29.905 29.700 -0.121 0.000 0.921 259 E HN 0.345 nan 8.360 nan 0.000 0.477 260 G N 2.729 111.434 108.800 -0.158 0.000 2.195 260 G HA2 -0.268 3.692 3.960 0.000 0.000 0.224 260 G HA3 -0.268 3.692 3.960 0.000 0.000 0.224 260 G C 0.393 175.191 174.900 -0.170 0.000 0.990 260 G CA 0.229 45.233 45.100 -0.159 0.000 0.639 260 G HN 0.683 nan 8.290 nan 0.000 0.514 261 T N -1.523 112.921 114.554 -0.184 0.000 2.950 261 T HA 0.710 5.060 4.350 0.000 0.000 0.288 261 T C 1.590 176.212 174.700 -0.129 0.000 1.035 261 T CA -0.255 61.741 62.100 -0.173 0.000 1.028 261 T CB 1.699 70.442 68.868 -0.209 0.000 1.109 261 T HN 0.251 nan 8.240 nan 0.000 0.514 262 L N 0.608 121.762 121.223 -0.116 0.000 2.261 262 L HA -0.011 4.329 4.340 0.000 0.000 0.216 262 L C 2.797 179.594 176.870 -0.121 0.000 1.114 262 L CA 1.429 56.208 54.840 -0.101 0.000 0.777 262 L CB -0.727 41.281 42.059 -0.085 0.000 0.910 262 L HN 0.924 nan 8.230 nan 0.000 0.440 263 A N -0.811 121.938 122.820 -0.117 0.000 2.251 263 A HA -0.084 4.236 4.320 0.000 0.000 0.209 263 A C 2.107 179.639 177.584 -0.087 0.000 1.187 263 A CA 0.367 52.322 52.037 -0.138 0.000 0.823 263 A CB -0.229 18.764 19.000 -0.012 0.000 0.846 263 A HN 0.441 nan 8.150 nan 0.000 0.486 264 E N 0.468 120.618 120.200 -0.085 0.000 2.013 264 E HA -0.196 4.154 4.350 0.000 0.000 0.202 264 E C 1.766 178.335 176.600 -0.051 0.000 1.018 264 E CA 1.884 58.246 56.400 -0.065 0.000 0.834 264 E CB -0.156 29.495 29.700 -0.082 0.000 0.770 264 E HN 0.497 nan 8.360 nan 0.000 0.459 265 S N 0.352 116.010 115.700 -0.070 0.000 2.461 265 S HA 0.008 4.478 4.470 0.000 0.000 0.228 265 S C 1.916 176.467 174.600 -0.082 0.000 1.005 265 S CA 0.337 58.502 58.200 -0.059 0.000 0.942 265 S CB -0.076 63.092 63.200 -0.055 0.000 0.776 265 S HN 0.262 nan 8.310 nan 0.000 0.514 266 L N -0.344 120.781 121.223 -0.163 0.000 2.201 266 L HA 0.004 4.344 4.340 0.000 0.000 0.212 266 L C 1.012 177.710 176.870 -0.287 0.000 1.105 266 L CA 0.997 55.674 54.840 -0.271 0.000 0.775 266 L CB -0.265 41.531 42.059 -0.438 0.000 0.913 266 L HN 0.284 nan 8.230 nan 0.000 0.440 267 F N -0.198 119.703 119.950 -0.082 0.000 2.639 267 F HA 0.423 4.950 4.527 0.000 0.000 0.300 267 F C 0.757 176.501 175.800 -0.094 0.000 1.109 267 F CA -0.624 57.309 58.000 -0.113 0.000 1.335 267 F CB -0.262 38.645 39.000 -0.155 0.000 1.014 267 F HN -0.121 nan 8.300 nan 0.000 0.537 268 A N -1.660 121.211 122.820 0.084 0.000 2.527 268 A HA 0.734 5.054 4.320 0.000 0.000 0.293 268 A C 0.906 178.511 177.584 0.035 0.000 1.117 268 A CA -0.078 51.992 52.037 0.055 0.000 0.723 268 A CB 1.066 20.082 19.000 0.027 0.000 1.313 268 A HN 0.535 nan 8.150 nan 0.000 0.411 269 G N -0.785 108.037 108.800 0.037 0.000 2.259 269 G HA2 0.125 4.085 3.960 0.000 0.000 0.217 269 G HA3 0.125 4.085 3.960 0.000 0.000 0.217 269 G C 0.442 175.360 174.900 0.030 0.000 1.001 269 G CA 0.771 45.887 45.100 0.026 0.000 0.627 269 G HN 2.509 nan 8.290 nan 0.000 0.501 270 S N -1.201 114.524 115.700 0.041 0.000 2.656 270 S HA 0.632 5.102 4.470 0.000 0.000 0.273 270 S C 0.572 175.201 174.600 0.049 0.000 1.168 270 S CA 0.197 58.420 58.200 0.038 0.000 0.817 270 S CB 1.100 64.320 63.200 0.033 0.000 1.146 270 S HN 0.011 nan 8.310 nan 0.000 0.475 271 N N 1.010 119.733 118.700 0.039 0.000 2.142 271 N HA -0.096 4.644 4.740 0.000 0.000 0.186 271 N C 1.491 177.028 175.510 0.046 0.000 1.023 271 N CA 1.683 54.755 53.050 0.038 0.000 0.852 271 N CB -0.629 37.874 38.487 0.025 0.000 0.998 271 N HN 0.820 nan 8.380 nan 0.000 0.424 272 E N 1.295 121.522 120.200 0.046 0.000 2.118 272 E HA -0.080 4.270 4.350 0.000 0.000 0.195 272 E C 1.721 178.345 176.600 0.040 0.000 0.992 272 E CA 1.436 57.867 56.400 0.051 0.000 0.804 272 E CB -0.316 29.416 29.700 0.055 0.000 0.741 272 E HN 0.324 nan 8.360 nan 0.000 0.458 273 A N -0.373 122.478 122.820 0.050 0.000 1.930 273 A HA -0.090 4.230 4.320 0.000 0.000 0.217 273 A C 2.415 180.071 177.584 0.120 0.000 1.175 273 A CA 1.616 53.697 52.037 0.074 0.000 0.627 273 A CB -0.550 18.496 19.000 0.076 0.000 0.815 273 A HN 0.278 nan 8.150 nan 0.000 0.443 274 S N -0.486 115.291 115.700 0.129 0.000 2.368 274 S HA -0.135 4.335 4.470 0.000 0.000 0.224 274 S C 2.003 176.700 174.600 0.162 0.000 1.029 274 S CA 1.523 59.858 58.200 0.227 0.000 0.988 274 S CB -0.210 63.102 63.200 0.186 0.000 0.838 274 S HN 0.693 nan 8.310 nan 0.000 0.462 275 K N 1.537 121.975 120.400 0.064 0.000 2.057 275 K HA -0.077 4.243 4.320 0.000 0.000 0.207 275 K C 2.202 178.800 176.600 -0.003 0.000 1.049 275 K CA 1.215 57.521 56.287 0.031 0.000 0.931 275 K CB -0.362 32.165 32.500 0.046 0.000 0.714 275 K HN 0.282 nan 8.250 nan 0.000 0.440 276 A N 1.739 124.511 122.820 -0.081 0.000 1.883 276 A HA -0.170 4.150 4.320 0.000 0.000 0.217 276 A C 2.164 179.599 177.584 -0.248 0.000 1.186 276 A CA 1.364 53.191 52.037 -0.350 0.000 0.624 276 A CB -0.711 17.917 19.000 -0.620 0.000 0.822 276 A HN 0.428 nan 8.150 nan 0.000 0.444 277 L N -0.590 120.445 121.223 -0.312 0.000 2.017 277 L HA -0.175 4.165 4.340 0.000 0.000 0.208 277 L C 2.703 179.404 176.870 -0.282 0.000 1.073 277 L CA 2.209 56.604 54.840 -0.742 0.000 0.745 277 L CB -0.687 40.930 42.059 -0.736 0.000 0.894 277 L HN 0.423 nan 8.230 nan 0.000 0.432 278 T N -0.812 113.745 114.554 0.006 0.000 2.720 278 T HA -0.188 4.162 4.350 0.000 0.000 0.268 278 T C 2.027 176.696 174.700 -0.052 0.000 1.037 278 T CA 1.711 63.799 62.100 -0.019 0.000 1.144 278 T CB -0.159 68.696 68.868 -0.021 0.000 0.864 278 T HN 0.351 nan 8.240 nan 0.000 0.444 279 S N 1.200 116.902 115.700 0.004 0.000 2.359 279 S HA -0.082 4.388 4.470 0.000 0.000 0.224 279 S C 2.583 177.245 174.600 0.103 0.000 1.035 279 S CA 1.036 59.251 58.200 0.025 0.000 1.018 279 S CB -0.624 62.609 63.200 0.056 0.000 0.876 279 S HN 0.608 nan 8.310 nan 0.000 0.448 280 A N 2.328 125.192 122.820 0.074 0.000 1.883 280 A HA -0.164 4.156 4.320 0.000 0.000 0.217 280 A C 2.170 179.741 177.584 -0.023 0.000 1.186 280 A CA 1.290 53.369 52.037 0.070 0.000 0.624 280 A CB -0.500 18.467 19.000 -0.054 0.000 0.822 280 A HN 0.342 nan 8.150 nan 0.000 0.444 281 R N -1.496 118.913 120.500 -0.151 0.000 2.083 281 R HA -0.142 4.198 4.340 0.000 0.000 0.237 281 R C 1.896 178.083 176.300 -0.187 0.000 1.137 281 R CA 1.574 57.533 56.100 -0.235 0.000 0.951 281 R CB -0.893 29.181 30.300 -0.377 0.000 0.851 281 R HN 0.564 nan 8.270 nan 0.000 0.434 282 F N 0.758 120.660 119.950 -0.080 0.000 2.134 282 F HA -0.166 4.361 4.527 0.000 0.000 0.299 282 F C 2.608 178.391 175.800 -0.027 0.000 1.097 282 F CA 0.870 58.824 58.000 -0.076 0.000 1.264 282 F CB -0.936 37.983 39.000 -0.135 0.000 1.001 282 F HN -0.254 nan 8.300 nan 0.000 0.479 283 V N -0.341 119.688 119.914 0.192 0.000 2.255 283 V HA -0.293 3.827 4.120 0.000 0.000 0.247 283 V C 2.385 178.548 176.094 0.115 0.000 1.051 283 V CA 1.434 63.828 62.300 0.156 0.000 1.018 283 V CB -0.790 31.136 31.823 0.172 0.000 0.641 283 V HN 0.185 nan 8.190 nan 0.000 0.445 284 L N 0.971 122.242 121.223 0.079 0.000 2.131 284 L HA -0.111 4.229 4.340 0.000 0.000 0.210 284 L C 2.738 179.676 176.870 0.113 0.000 1.092 284 L CA 2.271 57.152 54.840 0.067 0.000 0.759 284 L CB -1.206 40.867 42.059 0.023 0.000 0.903 284 L HN 0.595 nan 8.230 nan 0.000 0.435 285 S N -1.669 114.078 115.700 0.080 0.000 2.423 285 S HA -0.143 4.327 4.470 0.000 0.000 0.231 285 S C 1.569 176.291 174.600 0.205 0.000 1.014 285 S CA 1.183 59.459 58.200 0.127 0.000 0.965 285 S CB -0.245 62.991 63.200 0.061 0.000 0.785 285 S HN 0.435 nan 8.310 nan 0.000 0.495 286 D N 1.181 121.678 120.400 0.163 0.000 2.216 286 D HA 0.090 4.730 4.640 0.000 0.000 0.208 286 D C 1.934 178.309 176.300 0.126 0.000 0.960 286 D CA 0.775 54.856 54.000 0.136 0.000 0.861 286 D CB -0.023 40.841 40.800 0.108 0.000 0.985 286 D HN 0.330 nan 8.370 nan 0.000 0.493 287 K N 0.607 121.081 120.400 0.123 0.000 2.166 287 K HA 0.136 4.456 4.320 0.000 0.000 0.201 287 K C 2.354 179.058 176.600 0.173 0.000 1.052 287 K CA 0.118 56.471 56.287 0.111 0.000 0.969 287 K CB -0.346 32.186 32.500 0.053 0.000 0.761 287 K HN 0.193 nan 8.250 nan 0.000 0.459 288 L N 1.086 122.419 121.223 0.184 0.000 2.156 288 L HA -0.078 4.262 4.340 0.000 0.000 0.208 288 L C -0.754 176.213 176.870 0.162 0.000 1.095 288 L CA 0.738 55.705 54.840 0.212 0.000 0.770 288 L CB -1.585 40.663 42.059 0.315 0.000 0.914 288 L HN 0.039 nan 8.230 nan 0.000 0.439 289 P HA -0.260 nan 4.420 nan 0.000 0.219 289 P C 1.249 178.509 177.300 -0.067 0.000 1.159 289 P CA 1.585 64.618 63.100 -0.112 0.000 0.944 289 P CB 0.003 31.721 31.700 0.030 0.000 0.792 290 E N -2.078 118.133 120.200 0.018 0.000 2.268 290 E HA -0.170 4.181 4.350 0.000 0.000 0.195 290 E C 2.010 178.588 176.600 -0.036 0.000 0.995 290 E CA 0.916 57.305 56.400 -0.018 0.000 0.836 290 E CB -0.776 28.885 29.700 -0.065 0.000 0.763 290 E HN 0.551 nan 8.360 nan 0.000 0.491 291 H N -0.306 118.773 119.070 0.016 0.000 2.395 291 H HA -0.001 4.555 4.556 0.000 0.000 0.299 291 H C 2.168 177.549 175.328 0.088 0.000 1.070 291 H CA 0.994 57.112 56.048 0.117 0.000 1.356 291 H CB 0.381 30.235 29.762 0.153 0.000 1.401 291 H HN -0.001 nan 8.280 nan 0.000 0.524 292 V N 0.910 120.880 119.914 0.094 0.000 2.283 292 V HA -0.205 3.915 4.120 0.000 0.000 0.243 292 V C 2.813 178.895 176.094 -0.019 0.000 1.039 292 V CA 2.218 64.509 62.300 -0.015 0.000 1.016 292 V CB -0.833 30.822 31.823 -0.281 0.000 0.650 292 V HN 0.574 nan 8.190 nan 0.000 0.449 293 T N -2.705 111.815 114.554 -0.056 0.000 3.051 293 T HA -0.049 4.301 4.350 0.000 0.000 0.269 293 T C 0.947 175.612 174.700 -0.059 0.000 1.127 293 T CA 0.386 62.450 62.100 -0.060 0.000 1.107 293 T CB -0.339 68.491 68.868 -0.064 0.000 0.898 293 T HN 0.127 nan 8.240 nan 0.000 0.517 294 M N 2.886 122.492 119.600 0.010 0.000 2.269 294 M HA 0.238 4.718 4.480 0.000 0.000 0.350 294 M C -2.403 173.952 176.300 0.091 0.000 1.429 294 M CA -2.243 53.101 55.300 0.074 0.000 1.063 294 M CB 0.492 33.229 32.600 0.229 0.000 1.841 294 M HN -0.003 nan 8.290 nan 0.000 0.455 295 P HA -0.028 nan 4.420 nan 0.000 0.261 295 P C -0.531 176.840 177.300 0.118 0.000 1.183 295 P CA 0.235 63.372 63.100 0.061 0.000 0.761 295 P CB 0.339 32.062 31.700 0.039 0.000 0.785 296 D N 1.829 122.285 120.400 0.093 0.000 2.339 296 D HA 0.487 5.127 4.640 0.000 0.000 0.245 296 D C 0.526 176.887 176.300 0.102 0.000 1.115 296 D CA 0.508 54.571 54.000 0.105 0.000 0.917 296 D CB 1.260 42.098 40.800 0.063 0.000 1.192 296 D HN 0.456 nan 8.370 nan 0.000 0.428 297 G N 0.545 109.415 108.800 0.118 0.000 2.489 297 G HA2 0.171 4.131 3.960 0.000 0.000 0.305 297 G HA3 0.171 4.131 3.960 0.000 0.000 0.305 297 G C -0.642 174.329 174.900 0.118 0.000 1.311 297 G CA -0.454 44.718 45.100 0.121 0.000 0.813 297 G HN 0.439 nan 8.290 nan 0.000 0.480 298 D N -1.098 119.383 120.400 0.134 0.000 2.395 298 D HA 0.177 4.817 4.640 0.000 0.000 0.213 298 D C 0.412 176.808 176.300 0.159 0.000 1.110 298 D CA -0.619 53.441 54.000 0.100 0.000 0.835 298 D CB 0.047 40.885 40.800 0.063 0.000 0.965 298 D HN 0.162 nan 8.370 nan 0.000 0.505 299 F N 2.186 122.211 119.950 0.124 0.000 2.608 299 F HA 0.254 4.781 4.527 0.000 0.000 0.380 299 F C 0.203 176.161 175.800 0.265 0.000 1.083 299 F CA -0.061 58.041 58.000 0.170 0.000 1.266 299 F CB 0.852 39.943 39.000 0.151 0.000 1.076 299 F HN -0.132 nan 8.300 nan 0.000 0.574 300 S N 6.870 122.178 115.700 -0.652 0.000 2.552 300 S HA 0.422 4.892 4.470 0.000 0.000 0.314 300 S C 0.995 175.199 174.600 -0.660 0.000 1.099 300 S CA -0.862 57.102 58.200 -0.393 0.000 1.070 300 S CB 0.626 63.711 63.200 -0.192 0.000 0.998 300 S HN 0.717 nan 8.310 nan 0.000 0.474 301 I N 4.533 124.941 120.570 -0.270 0.000 2.286 301 I HA -0.162 4.008 4.170 0.000 0.000 0.248 301 I C 2.599 178.789 176.117 0.121 0.000 1.115 301 I CA 1.009 62.277 61.300 -0.053 0.000 1.392 301 I CB -0.145 37.921 38.000 0.110 0.000 1.065 301 I HN 0.657 nan 8.210 nan 0.000 0.418 302 R N 0.295 120.835 120.500 0.066 0.000 2.070 302 R HA -0.109 4.231 4.340 0.000 0.000 0.233 302 R C 2.517 178.845 176.300 0.048 0.000 1.137 302 R CA 1.748 57.898 56.100 0.082 0.000 0.945 302 R CB -0.470 29.854 30.300 0.040 0.000 0.845 302 R HN 0.240 nan 8.270 nan 0.000 0.430 303 S N 0.274 115.963 115.700 -0.017 0.000 2.383 303 S HA -0.194 4.276 4.470 0.000 0.000 0.229 303 S C 1.353 175.968 174.600 0.025 0.000 1.030 303 S CA 1.241 59.429 58.200 -0.021 0.000 1.002 303 S CB -0.332 62.831 63.200 -0.062 0.000 0.829 303 S HN 0.466 nan 8.310 nan 0.000 0.467 304 W N 2.364 123.562 121.300 -0.170 0.000 2.335 304 W HA -0.092 4.568 4.660 0.000 0.000 0.311 304 W C 1.656 178.184 176.519 0.016 0.000 1.213 304 W CA 1.121 58.434 57.345 -0.054 0.000 1.274 304 W CB -0.592 28.857 29.460 -0.017 0.000 1.148 304 W HN 0.189 nan 8.180 nan 0.000 0.498 305 L N 0.422 121.701 121.223 0.092 0.000 2.127 305 L HA -0.224 4.116 4.340 0.000 0.000 0.211 305 L C 2.302 179.070 176.870 -0.170 0.000 1.089 305 L CA 1.786 56.560 54.840 -0.110 0.000 0.757 305 L CB -0.750 41.373 42.059 0.106 0.000 0.899 305 L HN 0.089 nan 8.230 nan 0.000 0.434 306 E N -0.879 119.265 120.200 -0.093 0.000 2.216 306 E HA -0.125 4.225 4.350 0.000 0.000 0.192 306 E C 0.554 177.086 176.600 -0.113 0.000 0.988 306 E CA 0.076 56.429 56.400 -0.079 0.000 0.834 306 E CB 0.039 29.718 29.700 -0.034 0.000 0.772 306 E HN 0.255 nan 8.360 nan 0.000 0.479 307 D N 1.093 121.403 120.400 -0.150 0.000 2.349 307 D HA -0.003 4.637 4.640 0.000 0.000 0.266 307 D C -1.801 174.386 176.300 -0.188 0.000 1.293 307 D CA -2.009 51.908 54.000 -0.138 0.000 0.926 307 D CB 1.136 41.875 40.800 -0.102 0.000 1.090 307 D HN -0.152 nan 8.370 nan 0.000 0.502 308 P HA -0.137 nan 4.420 nan 0.000 0.217 308 P C 1.031 178.271 177.300 -0.099 0.000 1.148 308 P CA 0.799 63.836 63.100 -0.105 0.000 0.828 308 P CB 0.370 32.035 31.700 -0.059 0.000 0.783 309 N N -1.142 117.514 118.700 -0.072 0.000 2.093 309 N HA -0.100 4.640 4.740 0.000 0.000 0.191 309 N C 1.984 177.463 175.510 -0.051 0.000 1.062 309 N CA 1.861 54.893 53.050 -0.031 0.000 0.854 309 N CB -1.116 37.377 38.487 0.010 0.000 1.043 309 N HN 0.090 nan 8.380 nan 0.000 0.438 310 G N 0.623 109.392 108.800 -0.052 0.000 3.494 310 G HA2 -0.364 3.596 3.960 0.000 0.000 0.227 310 G HA3 -0.364 3.596 3.960 0.000 0.000 0.227 310 G C 0.754 175.820 174.900 0.277 0.000 1.804 310 G CA 2.277 47.353 45.100 -0.041 0.000 1.928 310 G HN 1.036 nan 8.290 nan 0.000 0.795 311 G N -0.892 108.002 108.800 0.157 0.000 2.482 311 G HA2 0.077 4.037 3.960 0.000 0.000 0.214 311 G HA3 0.077 4.037 3.960 0.000 0.000 0.214 311 G C -0.539 174.620 174.900 0.430 0.000 1.271 311 G CA 0.391 45.660 45.100 0.282 0.000 0.944 311 G HN 1.348 nan 8.290 nan 0.000 0.568 312 N N -0.348 118.644 118.700 0.486 0.000 2.362 312 N HA 0.656 5.396 4.740 0.000 0.000 0.299 312 N C -0.833 174.866 175.510 0.316 0.000 1.170 312 N CA -0.583 52.743 53.050 0.459 0.000 0.825 312 N CB 2.144 40.715 38.487 0.141 0.000 1.299 312 N HN 0.640 nan 8.380 nan 0.000 0.502 313 L N 1.497 122.720 121.223 -0.001 0.000 2.296 313 L HA 0.505 4.845 4.340 0.000 0.000 0.286 313 L C -1.268 175.402 176.870 -0.333 0.000 1.023 313 L CA -0.657 53.974 54.840 -0.350 0.000 0.812 313 L CB 0.416 41.983 42.059 -0.819 0.000 1.223 313 L HN 0.394 nan 8.230 nan 0.000 0.421 314 F N 5.547 125.409 119.950 -0.147 0.000 2.375 314 F HA 0.424 4.951 4.527 -0.000 0.000 0.361 314 F C 0.246 175.989 175.800 -0.095 0.000 1.117 314 F CA -0.421 57.538 58.000 -0.069 0.000 1.037 314 F CB 1.273 40.244 39.000 -0.048 0.000 1.192 314 F HN 0.221 nan 8.300 nan 0.000 0.452 315 I N 4.026 124.671 120.570 0.126 0.000 2.291 315 I HA 0.233 4.403 4.170 0.000 0.000 0.290 315 I C 0.303 176.648 176.117 0.380 0.000 1.050 315 I CA -0.219 61.190 61.300 0.181 0.000 1.245 315 I CB 0.625 38.769 38.000 0.240 0.000 1.405 315 I HN 0.615 nan 8.210 nan 0.000 0.478 316 T N 2.249 117.007 114.554 0.339 0.000 2.949 316 T HA 0.792 5.142 4.350 0.000 0.000 0.287 316 T C -1.041 173.963 174.700 0.506 0.000 1.034 316 T CA -0.685 61.580 62.100 0.275 0.000 1.018 316 T CB 2.076 71.014 68.868 0.116 0.000 1.135 316 T HN 0.671 nan 8.240 nan 0.000 0.532 317 W N -0.887 120.443 121.300 0.051 0.000 3.736 317 W HA 0.533 5.193 4.660 0.000 0.000 0.276 317 W C -1.650 174.796 176.519 -0.122 0.000 1.268 317 W CA -1.130 56.208 57.345 -0.011 0.000 1.216 317 W CB 0.740 30.221 29.460 0.034 0.000 1.284 317 W HN 0.759 nan 8.180 nan 0.000 0.562 318 R N 2.689 123.098 120.500 -0.151 0.000 2.340 318 R HA 0.110 4.450 4.340 0.000 0.000 0.300 318 R C 0.931 177.209 176.300 -0.037 0.000 1.069 318 R CA -0.282 55.652 56.100 -0.276 0.000 0.984 318 R CB 1.251 31.294 30.300 -0.428 0.000 1.003 318 R HN 0.780 nan 8.270 nan 0.000 0.459 319 E N 1.554 121.702 120.200 -0.087 0.000 2.219 319 E HA -0.230 4.120 4.350 0.000 0.000 0.198 319 E C 1.003 177.652 176.600 0.083 0.000 0.998 319 E CA 1.571 58.018 56.400 0.079 0.000 0.818 319 E CB 0.104 29.805 29.700 0.002 0.000 0.741 319 E HN 0.613 nan 8.360 nan 0.000 0.477 320 D N -0.198 120.200 120.400 -0.003 0.000 2.378 320 D HA -0.169 4.471 4.640 0.000 0.000 0.222 320 D C 1.247 177.536 176.300 -0.019 0.000 0.980 320 D CA 0.802 54.792 54.000 -0.017 0.000 0.907 320 D CB -0.041 40.729 40.800 -0.050 0.000 0.899 320 D HN 0.235 nan 8.370 nan 0.000 0.527 321 M N -0.037 119.568 119.600 0.008 0.000 2.589 321 M HA 0.302 4.782 4.480 0.000 0.000 0.344 321 M C 1.574 177.887 176.300 0.021 0.000 1.168 321 M CA -0.142 55.142 55.300 -0.026 0.000 0.956 321 M CB 1.588 34.115 32.600 -0.122 0.000 1.370 321 M HN 0.042 nan 8.290 nan 0.000 0.518 322 G N 2.676 111.529 108.800 0.088 0.000 2.453 322 G HA2 -0.144 3.816 3.960 0.000 0.000 0.215 322 G HA3 -0.144 3.816 3.960 0.000 0.000 0.215 322 G C -0.597 174.232 174.900 -0.118 0.000 1.201 322 G CA 0.677 45.766 45.100 -0.017 0.000 0.784 322 G HN 0.314 nan 8.290 nan 0.000 0.545 323 P HA -0.079 nan 4.420 nan 0.000 0.218 323 P C 1.804 179.065 177.300 -0.065 0.000 1.148 323 P CA 1.966 65.034 63.100 -0.055 0.000 0.822 323 P CB -0.096 31.590 31.700 -0.023 0.000 0.784 324 A N -0.479 122.304 122.820 -0.062 0.000 1.970 324 A HA 0.027 4.347 4.320 0.000 0.000 0.216 324 A C 2.214 179.753 177.584 -0.075 0.000 1.170 324 A CA 0.774 52.783 52.037 -0.047 0.000 0.645 324 A CB -1.152 17.829 19.000 -0.031 0.000 0.816 324 A HN 0.160 nan 8.150 nan 0.000 0.447 325 L N -1.260 119.883 121.223 -0.134 0.000 2.607 325 L HA 0.151 4.491 4.340 0.000 0.000 0.228 325 L C 2.291 178.978 176.870 -0.305 0.000 1.123 325 L CA 0.007 54.724 54.840 -0.206 0.000 0.890 325 L CB -0.208 41.727 42.059 -0.207 0.000 1.103 325 L HN 0.402 nan 8.230 nan 0.000 0.468 326 R N 1.453 121.798 120.500 -0.259 0.000 2.094 326 R HA -0.175 4.165 4.340 0.000 0.000 0.239 326 R C -0.479 175.699 176.300 -0.203 0.000 1.137 326 R CA 2.081 58.033 56.100 -0.247 0.000 0.943 326 R CB -1.007 29.200 30.300 -0.156 0.000 0.850 326 R HN 0.231 nan 8.270 nan 0.000 0.433 327 P HA -0.168 nan 4.420 nan 0.000 0.219 327 P C 1.584 178.787 177.300 -0.162 0.000 1.150 327 P CA 1.135 64.177 63.100 -0.097 0.000 0.814 327 P CB -0.145 31.544 31.700 -0.018 0.000 0.787 328 L N -0.630 120.397 121.223 -0.327 0.000 2.072 328 L HA -0.073 4.267 4.340 0.000 0.000 0.205 328 L C 2.579 178.932 176.870 -0.862 0.000 1.079 328 L CA 1.329 55.747 54.840 -0.704 0.000 0.752 328 L CB -0.537 41.003 42.059 -0.866 0.000 0.906 328 L HN -0.158 nan 8.230 nan 0.000 0.436 329 I N -0.842 119.381 120.570 -0.578 0.000 2.286 329 I HA -0.280 3.890 4.170 0.000 0.000 0.248 329 I C 2.524 178.548 176.117 -0.156 0.000 1.115 329 I CA 1.080 62.186 61.300 -0.323 0.000 1.392 329 I CB -0.212 37.558 38.000 -0.383 0.000 1.065 329 I HN 0.190 nan 8.210 nan 0.000 0.418 330 S N 0.807 116.407 115.700 -0.167 0.000 2.368 330 S HA -0.152 4.318 4.470 0.000 0.000 0.225 330 S C 2.294 176.889 174.600 -0.008 0.000 1.030 330 S CA 1.271 59.437 58.200 -0.056 0.000 0.999 330 S CB -0.352 62.814 63.200 -0.057 0.000 0.844 330 S HN 0.542 nan 8.310 nan 0.000 0.459 331 A N 1.367 124.147 122.820 -0.066 0.000 1.883 331 A HA -0.143 4.177 4.320 0.000 0.000 0.217 331 A C 1.892 179.549 177.584 0.121 0.000 1.186 331 A CA 1.403 53.461 52.037 0.034 0.000 0.624 331 A CB -0.879 18.158 19.000 0.062 0.000 0.822 331 A HN 0.625 nan 8.150 nan 0.000 0.444 332 W N -0.064 121.209 121.300 -0.044 0.000 2.355 332 W HA -0.088 4.572 4.660 0.000 0.000 0.309 332 W C 2.373 178.885 176.519 -0.012 0.000 1.206 332 W CA 1.086 58.359 57.345 -0.121 0.000 1.284 332 W CB -1.379 27.937 29.460 -0.240 0.000 1.145 332 W HN 0.189 nan 8.180 nan 0.000 0.502 333 V N 0.403 120.461 119.914 0.241 0.000 2.332 333 V HA -0.307 3.813 4.120 0.000 0.000 0.248 333 V C 1.822 178.014 176.094 0.162 0.000 1.055 333 V CA 2.455 64.862 62.300 0.178 0.000 1.038 333 V CB -1.086 30.824 31.823 0.145 0.000 0.651 333 V HN 0.022 nan 8.190 nan 0.000 0.450 334 D N -0.382 120.111 120.400 0.155 0.000 2.144 334 D HA -0.135 4.505 4.640 0.000 0.000 0.200 334 D C 2.034 178.444 176.300 0.183 0.000 0.978 334 D CA 1.044 55.128 54.000 0.139 0.000 0.833 334 D CB 0.016 40.883 40.800 0.111 0.000 0.961 334 D HN 0.189 nan 8.370 nan 0.000 0.470 335 V N -0.175 119.905 119.914 0.277 0.000 2.287 335 V HA -0.255 3.865 4.120 0.000 0.000 0.248 335 V C 2.497 178.781 176.094 0.317 0.000 1.053 335 V CA 1.353 63.897 62.300 0.406 0.000 1.027 335 V CB -0.429 31.687 31.823 0.489 0.000 0.646 335 V HN 0.175 nan 8.190 nan 0.000 0.447 336 V N -1.026 119.032 119.914 0.240 0.000 2.255 336 V HA -0.318 3.802 4.120 0.000 0.000 0.247 336 V C 2.543 178.734 176.094 0.163 0.000 1.051 336 V CA 2.340 64.764 62.300 0.206 0.000 1.018 336 V CB -0.856 31.076 31.823 0.182 0.000 0.641 336 V HN 0.660 nan 8.190 nan 0.000 0.445 337 C N 0.184 119.560 119.300 0.128 0.000 2.403 337 C HA -0.184 4.276 4.460 0.000 0.000 0.277 337 C C 2.920 177.949 174.990 0.066 0.000 1.248 337 C CA 1.861 60.925 59.018 0.077 0.000 1.762 337 C CB -1.402 26.373 27.740 0.058 0.000 2.014 337 C HN 0.708 nan 8.230 nan 0.000 0.486 338 T N -0.279 114.322 114.554 0.080 0.000 2.894 338 T HA -0.070 4.280 4.350 0.000 0.000 0.258 338 T C 1.962 176.722 174.700 0.099 0.000 1.043 338 T CA 1.399 63.525 62.100 0.043 0.000 1.141 338 T CB -0.307 68.521 68.868 -0.067 0.000 0.873 338 T HN 0.496 nan 8.240 nan 0.000 0.449 339 S N 2.128 117.935 115.700 0.179 0.000 2.383 339 S HA -0.074 4.396 4.470 0.000 0.000 0.229 339 S C 2.175 176.860 174.600 0.140 0.000 1.030 339 S CA 1.310 59.636 58.200 0.210 0.000 1.002 339 S CB -0.617 62.741 63.200 0.263 0.000 0.829 339 S HN 0.732 nan 8.310 nan 0.000 0.467 340 I N -0.876 119.762 120.570 0.113 0.000 2.454 340 I HA -0.084 4.086 4.170 0.000 0.000 0.254 340 I C 1.573 177.723 176.117 0.055 0.000 1.156 340 I CA 1.106 62.451 61.300 0.075 0.000 1.433 340 I CB -0.409 37.625 38.000 0.057 0.000 1.082 340 I HN 0.091 nan 8.210 nan 0.000 0.432 341 L N 0.825 122.083 121.223 0.058 0.000 2.465 341 L HA -0.006 4.334 4.340 0.000 0.000 0.224 341 L C 2.129 179.034 176.870 0.058 0.000 1.145 341 L CA 1.318 56.185 54.840 0.044 0.000 0.834 341 L CB -0.726 41.356 42.059 0.038 0.000 0.944 341 L HN 0.249 nan 8.230 nan 0.000 0.451 342 S N -1.348 114.402 115.700 0.083 0.000 2.539 342 S HA 0.290 4.760 4.470 0.000 0.000 0.221 342 S C 0.724 175.364 174.600 0.067 0.000 0.987 342 S CA -0.392 57.865 58.200 0.094 0.000 0.929 342 S CB 0.150 63.433 63.200 0.138 0.000 0.832 342 S HN 0.129 nan 8.310 nan 0.000 0.492 343 L N 3.783 125.036 121.223 0.050 0.000 2.461 343 L HA 0.230 4.570 4.340 0.000 0.000 0.272 343 L C -1.883 174.997 176.870 0.018 0.000 1.197 343 L CA -1.553 53.305 54.840 0.029 0.000 0.836 343 L CB -0.050 42.020 42.059 0.017 0.000 1.105 343 L HN 0.045 nan 8.230 nan 0.000 0.477 344 P HA 0.068 nan 4.420 nan 0.000 0.271 344 P C -0.987 176.310 177.300 -0.004 0.000 1.216 344 P CA -0.568 62.535 63.100 0.005 0.000 0.771 344 P CB 0.569 32.270 31.700 0.002 0.000 0.864 345 E N 1.837 122.035 120.200 -0.004 0.000 2.905 345 E HA -0.039 4.311 4.350 0.000 0.000 0.240 345 E C 0.241 176.832 176.600 -0.015 0.000 0.990 345 E CA 1.131 57.525 56.400 -0.010 0.000 0.954 345 E CB -0.402 29.293 29.700 -0.009 0.000 0.908 345 E HN 0.261 nan 8.360 nan 0.000 0.532 346 E N 4.237 124.425 120.200 -0.020 0.000 2.580 346 E HA 0.169 4.519 4.350 0.000 0.000 0.248 346 E C -2.023 174.560 176.600 -0.029 0.000 1.018 346 E CA -2.155 54.231 56.400 -0.024 0.000 0.775 346 E CB 1.201 30.884 29.700 -0.028 0.000 1.378 346 E HN 0.191 nan 8.360 nan 0.000 0.401 347 P HA -0.169 nan 4.420 nan 0.000 0.218 347 P C 0.587 177.867 177.300 -0.033 0.000 1.154 347 P CA 1.438 64.520 63.100 -0.030 0.000 0.872 347 P CB 0.397 32.083 31.700 -0.024 0.000 0.790 348 K N -1.256 119.127 120.400 -0.029 0.000 2.417 348 K HA 0.074 4.394 4.320 0.000 0.000 0.196 348 K C 0.844 177.425 176.600 -0.030 0.000 1.023 348 K CA -0.290 55.980 56.287 -0.027 0.000 1.122 348 K CB 0.138 32.626 32.500 -0.019 0.000 0.850 348 K HN 0.081 nan 8.250 nan 0.000 0.521 349 R N 2.019 122.496 120.500 -0.038 0.000 2.537 349 R HA 0.076 4.416 4.340 0.000 0.000 0.280 349 R C -0.657 175.610 176.300 -0.055 0.000 1.058 349 R CA 0.281 56.355 56.100 -0.043 0.000 1.057 349 R CB 0.482 30.753 30.300 -0.048 0.000 0.973 349 R HN -0.001 nan 8.270 nan 0.000 0.438 350 R N 5.261 125.735 120.500 -0.042 0.000 2.483 350 R HA 0.377 4.717 4.340 0.000 0.000 0.303 350 R C -1.262 175.019 176.300 -0.032 0.000 0.987 350 R CA -0.741 55.320 56.100 -0.065 0.000 0.881 350 R CB 1.641 31.943 30.300 0.004 0.000 1.177 350 R HN 0.482 nan 8.270 nan 0.000 0.451 351 L N 3.981 125.134 121.223 -0.115 0.000 2.406 351 L HA 0.492 4.832 4.340 0.000 0.000 0.272 351 L C -1.478 175.344 176.870 -0.079 0.000 0.980 351 L CA -0.662 54.176 54.840 -0.004 0.000 0.831 351 L CB 1.515 43.581 42.059 0.012 0.000 1.253 351 L HN 0.608 nan 8.230 nan 0.000 0.406 352 W N 5.150 126.495 121.300 0.076 0.000 2.449 352 W HA 0.555 5.215 4.660 0.000 0.000 0.331 352 W C -0.345 176.207 176.519 0.054 0.000 1.119 352 W CA -0.386 56.977 57.345 0.029 0.000 1.240 352 W CB 1.285 30.799 29.460 0.091 0.000 1.251 352 W HN 0.219 nan 8.180 nan 0.000 0.576 353 L N 3.576 124.901 121.223 0.171 0.000 2.377 353 L HA 0.444 4.784 4.340 0.000 0.000 0.270 353 L C -1.659 175.242 176.870 0.052 0.000 0.991 353 L CA -0.759 54.172 54.840 0.151 0.000 0.851 353 L CB 0.428 42.539 42.059 0.086 0.000 1.218 353 L HN 0.308 nan 8.230 nan 0.000 0.420 354 F N 5.399 125.469 119.950 0.200 0.000 2.391 354 F HA 0.439 4.966 4.527 0.000 0.000 0.359 354 F C 0.365 176.263 175.800 0.163 0.000 1.122 354 F CA -0.276 57.831 58.000 0.178 0.000 1.120 354 F CB 1.240 40.312 39.000 0.119 0.000 1.142 354 F HN 0.232 nan 8.300 nan 0.000 0.483 355 I N 4.709 125.451 120.570 0.287 0.000 2.354 355 I HA 0.131 4.301 4.170 0.000 0.000 0.286 355 I C 0.650 176.908 176.117 0.235 0.000 1.007 355 I CA -0.589 60.860 61.300 0.248 0.000 1.167 355 I CB 1.267 39.386 38.000 0.199 0.000 1.320 355 I HN 0.592 nan 8.210 nan 0.000 0.458 356 D N 4.730 125.278 120.400 0.247 0.000 2.116 356 D HA -0.232 4.408 4.640 0.000 0.000 0.193 356 D C 0.618 177.015 176.300 0.162 0.000 0.998 356 D CA 1.590 55.711 54.000 0.202 0.000 0.836 356 D CB 0.238 41.156 40.800 0.197 0.000 0.951 356 D HN 0.492 nan 8.370 nan 0.000 0.449 357 E N -1.000 119.304 120.200 0.172 0.000 2.302 357 E HA 0.241 4.591 4.350 0.000 0.000 0.263 357 E C 0.142 176.816 176.600 0.123 0.000 0.897 357 E CA -0.583 55.893 56.400 0.127 0.000 0.809 357 E CB 1.170 30.946 29.700 0.127 0.000 1.270 357 E HN -0.024 nan 8.360 nan 0.000 0.410 358 L N 4.174 125.452 121.223 0.092 0.000 2.042 358 L HA 0.067 4.407 4.340 0.000 0.000 0.210 358 L C 1.787 178.738 176.870 0.135 0.000 1.076 358 L CA 2.666 57.568 54.840 0.102 0.000 0.749 358 L CB -0.354 41.726 42.059 0.035 0.000 0.893 358 L HN 0.710 nan 8.230 nan 0.000 0.432 359 A N -2.338 120.547 122.820 0.108 0.000 2.235 359 A HA -0.009 4.311 4.320 0.000 0.000 0.208 359 A C 2.239 179.881 177.584 0.096 0.000 1.172 359 A CA 1.205 53.317 52.037 0.125 0.000 0.786 359 A CB -0.480 18.573 19.000 0.088 0.000 0.804 359 A HN 0.472 nan 8.150 nan 0.000 0.479 360 S N -0.492 115.261 115.700 0.087 0.000 2.478 360 S HA 0.240 4.710 4.470 0.000 0.000 0.222 360 S C 0.756 175.366 174.600 0.017 0.000 1.008 360 S CA -0.070 58.164 58.200 0.056 0.000 0.928 360 S CB -0.196 63.053 63.200 0.082 0.000 0.781 360 S HN 0.508 nan 8.310 nan 0.000 0.518 361 L N 1.545 122.792 121.223 0.040 0.000 2.468 361 L HA 0.297 4.637 4.340 0.000 0.000 0.254 361 L C 0.934 177.800 176.870 -0.006 0.000 1.171 361 L CA -0.587 54.257 54.840 0.006 0.000 0.809 361 L CB 0.314 42.405 42.059 0.054 0.000 1.155 361 L HN 0.138 nan 8.230 nan 0.000 0.473 362 E N 0.380 120.553 120.200 -0.045 0.000 2.405 362 E HA 0.042 4.392 4.350 0.000 0.000 0.253 362 E C -0.434 176.056 176.600 -0.182 0.000 1.257 362 E CA -0.550 55.792 56.400 -0.097 0.000 0.960 362 E CB 0.497 30.147 29.700 -0.083 0.000 1.077 362 E HN 0.292 nan 8.360 nan 0.000 0.512 363 K N 1.970 122.160 120.400 -0.350 0.000 2.237 363 K HA 0.097 4.417 4.320 0.000 0.000 0.283 363 K C -0.395 176.029 176.600 -0.293 0.000 1.080 363 K CA -0.111 55.740 56.287 -0.726 0.000 0.965 363 K CB -0.398 31.693 32.500 -0.681 0.000 1.098 363 K HN 0.300 nan 8.250 nan 0.000 0.434 364 L N 3.902 125.098 121.223 -0.045 0.000 2.453 364 L HA 0.040 4.380 4.340 0.000 0.000 0.272 364 L C 1.416 178.350 176.870 0.106 0.000 1.182 364 L CA -0.303 54.592 54.840 0.092 0.000 0.858 364 L CB 0.985 43.152 42.059 0.180 0.000 1.120 364 L HN 0.775 nan 8.230 nan 0.000 0.474 365 A N 1.955 124.807 122.820 0.053 0.000 2.021 365 A HA -0.024 4.296 4.320 0.000 0.000 0.216 365 A C 1.885 179.495 177.584 0.043 0.000 1.163 365 A CA 1.039 53.099 52.037 0.039 0.000 0.676 365 A CB -0.028 18.977 19.000 0.009 0.000 0.818 365 A HN 0.751 nan 8.150 nan 0.000 0.453 366 S N -0.802 114.925 115.700 0.045 0.000 2.559 366 S HA 0.244 4.714 4.470 0.000 0.000 0.226 366 S C 1.449 176.064 174.600 0.025 0.000 1.000 366 S CA -0.277 57.940 58.200 0.027 0.000 0.948 366 S CB 0.024 63.233 63.200 0.016 0.000 0.870 366 S HN 0.468 nan 8.310 nan 0.000 0.497 367 L N 1.968 123.221 121.223 0.049 0.000 1.970 367 L HA -0.218 4.122 4.340 0.000 0.000 0.212 367 L C 2.704 179.544 176.870 -0.049 0.000 1.071 367 L CA 1.852 56.700 54.840 0.014 0.000 0.751 367 L CB -0.724 41.374 42.059 0.066 0.000 0.889 367 L HN 0.415 nan 8.230 nan 0.000 0.432 368 A N -0.249 122.559 122.820 -0.020 0.000 1.903 368 A HA -0.306 4.014 4.320 0.000 0.000 0.219 368 A C 1.871 179.420 177.584 -0.059 0.000 1.191 368 A CA 2.315 54.324 52.037 -0.048 0.000 0.638 368 A CB -0.803 18.193 19.000 -0.007 0.000 0.823 368 A HN 0.558 nan 8.150 nan 0.000 0.451 369 D N -0.265 120.115 120.400 -0.033 0.000 2.178 369 D HA -0.011 4.629 4.640 0.000 0.000 0.202 369 D C 2.212 178.485 176.300 -0.045 0.000 0.974 369 D CA 1.339 55.321 54.000 -0.032 0.000 0.841 369 D CB -0.376 40.413 40.800 -0.017 0.000 0.953 369 D HN 0.465 nan 8.370 nan 0.000 0.478 370 A N 0.803 123.588 122.820 -0.058 0.000 1.933 370 A HA -0.098 4.222 4.320 0.000 0.000 0.218 370 A C 2.336 179.844 177.584 -0.128 0.000 1.175 370 A CA 0.803 52.796 52.037 -0.072 0.000 0.628 370 A CB -0.637 18.321 19.000 -0.069 0.000 0.814 370 A HN 0.193 nan 8.150 nan 0.000 0.444 371 L N -1.230 119.862 121.223 -0.218 0.000 2.313 371 L HA -0.050 4.290 4.340 0.000 0.000 0.214 371 L C 2.326 179.171 176.870 -0.042 0.000 1.119 371 L CA 1.367 56.006 54.840 -0.335 0.000 0.809 371 L CB -0.255 41.492 42.059 -0.519 0.000 0.933 371 L HN 0.306 nan 8.230 nan 0.000 0.449 372 T N -1.236 113.288 114.554 -0.050 0.000 3.039 372 T HA 0.034 4.384 4.350 0.000 0.000 0.250 372 T C 1.397 176.089 174.700 -0.014 0.000 1.052 372 T CA 0.610 62.697 62.100 -0.021 0.000 1.125 372 T CB 0.275 69.124 68.868 -0.030 0.000 0.908 372 T HN 0.215 nan 8.240 nan 0.000 0.473 373 K N 0.714 121.104 120.400 -0.017 0.000 2.438 373 K HA 0.313 4.633 4.320 0.000 0.000 0.205 373 K C 1.448 178.040 176.600 -0.013 0.000 1.033 373 K CA -0.157 56.120 56.287 -0.016 0.000 1.089 373 K CB 0.916 33.406 32.500 -0.017 0.000 0.857 373 K HN 0.163 nan 8.250 nan 0.000 0.522 374 G N 0.770 109.568 108.800 -0.003 0.000 3.189 374 G HA2 -0.060 3.900 3.960 0.000 0.000 0.225 374 G HA3 -0.060 3.900 3.960 0.000 0.000 0.225 374 G C 1.217 176.102 174.900 -0.025 0.000 1.159 374 G CA -0.225 44.872 45.100 -0.005 0.000 0.763 374 G HN 0.014 nan 8.290 nan 0.000 0.549 375 R N 0.531 121.007 120.500 -0.040 0.000 2.081 375 R HA 0.002 4.342 4.340 0.000 0.000 0.235 375 R C 2.224 178.484 176.300 -0.067 0.000 1.131 375 R CA 1.024 57.079 56.100 -0.075 0.000 0.960 375 R CB -0.136 30.117 30.300 -0.079 0.000 0.856 375 R HN 0.180 nan 8.270 nan 0.000 0.436 376 K N -0.000 120.372 120.400 -0.047 0.000 2.209 376 K HA -0.023 4.297 4.320 0.000 0.000 0.204 376 K C 1.662 178.238 176.600 -0.039 0.000 1.048 376 K CA 1.337 57.600 56.287 -0.040 0.000 0.940 376 K CB -0.051 32.432 32.500 -0.028 0.000 0.729 376 K HN 0.164 nan 8.250 nan 0.000 0.451 377 A N -0.705 122.092 122.820 -0.037 0.000 2.218 377 A HA 0.254 4.574 4.320 0.000 0.000 0.209 377 A C 1.273 178.824 177.584 -0.056 0.000 1.168 377 A CA 0.716 52.733 52.037 -0.034 0.000 0.804 377 A CB -0.307 18.683 19.000 -0.017 0.000 0.834 377 A HN 0.350 nan 8.150 nan 0.000 0.482 378 G N -0.977 107.776 108.800 -0.080 0.000 2.160 378 G HA2 -0.188 3.772 3.960 0.000 0.000 0.244 378 G HA3 -0.188 3.772 3.960 0.000 0.000 0.244 378 G C 0.065 174.865 174.900 -0.168 0.000 1.022 378 G CA 0.205 45.231 45.100 -0.123 0.000 0.741 378 G HN 0.586 nan 8.290 nan 0.000 0.508 379 L N 0.291 121.442 121.223 -0.119 0.000 2.360 379 L HA 0.524 4.864 4.340 0.000 0.000 0.276 379 L C 0.394 177.176 176.870 -0.146 0.000 1.121 379 L CA 0.050 54.827 54.840 -0.104 0.000 0.845 379 L CB 0.368 42.414 42.059 -0.022 0.000 1.143 379 L HN 0.309 nan 8.230 nan 0.000 0.452 380 R N 4.166 124.482 120.500 -0.307 0.000 2.435 380 R HA 0.497 4.837 4.340 0.000 0.000 0.308 380 R C -1.102 175.102 176.300 -0.161 0.000 0.975 380 R CA -0.623 55.203 56.100 -0.457 0.000 0.867 380 R CB 2.099 31.532 30.300 -1.445 0.000 1.171 380 R HN 0.368 nan 8.270 nan 0.000 0.470 381 V N 3.699 123.719 119.914 0.176 0.000 2.435 381 V HA 0.426 4.546 4.120 0.000 0.000 0.290 381 V C -0.204 175.981 176.094 0.153 0.000 1.030 381 V CA -0.789 61.524 62.300 0.022 0.000 0.881 381 V CB 1.988 33.635 31.823 -0.294 0.000 0.983 381 V HN 0.423 nan 8.190 nan 0.000 0.445 382 V N 4.024 123.969 119.914 0.051 0.000 2.409 382 V HA 0.802 4.922 4.120 0.000 0.000 0.290 382 V C 0.087 176.269 176.094 0.147 0.000 1.017 382 V CA -0.352 62.003 62.300 0.091 0.000 0.841 382 V CB 1.529 33.248 31.823 -0.175 0.000 1.003 382 V HN 1.014 nan 8.190 nan 0.000 0.426 383 A N 3.701 126.640 122.820 0.199 0.000 2.356 383 A HA 0.896 5.216 4.320 0.000 0.000 0.310 383 A C 0.219 177.802 177.584 -0.001 0.000 1.075 383 A CA -0.177 51.926 52.037 0.111 0.000 0.746 383 A CB 1.584 20.659 19.000 0.124 0.000 1.221 383 A HN 0.969 nan 8.150 nan 0.000 0.443 384 G N -0.076 108.755 108.800 0.052 0.000 2.448 384 G HA2 0.559 4.519 3.960 0.000 0.000 0.285 384 G HA3 0.559 4.519 3.960 0.000 0.000 0.285 384 G C -1.080 173.811 174.900 -0.015 0.000 1.176 384 G CA -0.236 44.880 45.100 0.026 0.000 0.852 384 G HN 1.089 nan 8.290 nan 0.000 0.530 385 L N 0.687 121.890 121.223 -0.033 0.000 2.541 385 L HA 0.320 4.660 4.340 0.000 0.000 0.266 385 L C 1.050 177.912 176.870 -0.014 0.000 0.966 385 L CA -0.561 54.256 54.840 -0.039 0.000 0.871 385 L CB 1.766 43.763 42.059 -0.103 0.000 1.232 385 L HN 0.818 nan 8.230 nan 0.000 0.408 386 Q N 2.057 121.862 119.800 0.009 0.000 2.250 386 Q HA 0.190 4.530 4.340 0.000 0.000 0.200 386 Q C 0.131 176.136 176.000 0.009 0.000 0.941 386 Q CA 0.787 56.598 55.803 0.014 0.000 0.872 386 Q CB 0.296 29.049 28.738 0.026 0.000 0.965 386 Q HN 0.496 nan 8.270 nan 0.000 0.480 387 S N -0.625 115.080 115.700 0.009 0.000 2.707 387 S HA 0.241 4.711 4.470 0.000 0.000 0.303 387 S C 0.113 174.716 174.600 0.004 0.000 1.132 387 S CA -0.442 57.763 58.200 0.008 0.000 1.046 387 S CB 1.658 64.868 63.200 0.016 0.000 1.004 387 S HN 0.283 nan 8.310 nan 0.000 0.483 388 T N 3.124 117.675 114.554 -0.005 0.000 2.867 388 T HA -0.074 4.276 4.350 0.000 0.000 0.268 388 T C 1.958 176.662 174.700 0.006 0.000 1.057 388 T CA 2.181 64.275 62.100 -0.010 0.000 1.136 388 T CB -0.344 68.514 68.868 -0.017 0.000 0.874 388 T HN 0.612 nan 8.240 nan 0.000 0.466 389 S N 0.038 115.744 115.700 0.009 0.000 2.382 389 S HA -0.142 4.329 4.470 0.000 0.000 0.228 389 S C 2.164 176.779 174.600 0.026 0.000 1.027 389 S CA 1.773 59.982 58.200 0.015 0.000 0.991 389 S CB -0.457 62.750 63.200 0.012 0.000 0.823 389 S HN 0.684 nan 8.310 nan 0.000 0.469 390 Q N -0.373 119.445 119.800 0.029 0.000 2.119 390 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 390 Q C 2.154 178.195 176.000 0.068 0.000 0.972 390 Q CA 1.273 57.101 55.803 0.041 0.000 0.847 390 Q CB -0.187 28.575 28.738 0.040 0.000 0.903 390 Q HN 0.538 nan 8.270 nan 0.000 0.433 391 L N 1.173 122.439 121.223 0.070 0.000 2.093 391 L HA -0.169 4.171 4.340 0.000 0.000 0.208 391 L C 1.498 178.458 176.870 0.149 0.000 1.085 391 L CA 1.817 56.729 54.840 0.120 0.000 0.755 391 L CB -0.354 41.728 42.059 0.039 0.000 0.904 391 L HN 0.150 nan 8.230 nan 0.000 0.435 392 D N -0.533 119.917 120.400 0.083 0.000 2.144 392 D HA -0.210 4.430 4.640 0.000 0.000 0.199 392 D C 1.760 178.106 176.300 0.077 0.000 0.984 392 D CA 1.472 55.517 54.000 0.075 0.000 0.834 392 D CB -0.095 40.729 40.800 0.041 0.000 0.955 392 D HN 0.436 nan 8.370 nan 0.000 0.465 393 D N -0.421 120.016 120.400 0.061 0.000 2.144 393 D HA -0.098 4.542 4.640 0.000 0.000 0.200 393 D C 2.016 178.334 176.300 0.029 0.000 0.978 393 D CA 0.496 54.519 54.000 0.037 0.000 0.833 393 D CB 0.292 41.109 40.800 0.028 0.000 0.961 393 D HN -0.028 nan 8.370 nan 0.000 0.470 394 V N -0.554 119.395 119.914 0.059 0.000 2.407 394 V HA -0.151 3.969 4.120 0.000 0.000 0.245 394 V C 1.489 177.512 176.094 -0.119 0.000 1.041 394 V CA 1.271 63.561 62.300 -0.017 0.000 1.040 394 V CB -0.486 31.354 31.823 0.028 0.000 0.671 394 V HN 0.244 nan 8.190 nan 0.000 0.455 395 Y N 0.291 120.592 120.300 0.002 0.000 2.481 395 Y HA 0.532 5.082 4.550 0.000 0.000 0.258 395 Y C 1.323 177.220 175.900 -0.005 0.000 1.103 395 Y CA 0.448 58.548 58.100 0.001 0.000 1.287 395 Y CB 0.358 38.825 38.460 0.011 0.000 1.108 395 Y HN 0.342 nan 8.280 nan 0.000 0.529 396 G N -0.490 108.388 108.800 0.131 0.000 2.675 396 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 396 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 396 G C 0.377 175.323 174.900 0.076 0.000 1.215 396 G CA -0.519 44.623 45.100 0.071 0.000 0.777 396 G HN -0.044 nan 8.290 nan 0.000 0.638 397 V N 2.134 122.074 119.914 0.044 0.000 2.252 397 V HA -0.228 3.892 4.120 0.000 0.000 0.249 397 V C 3.027 179.140 176.094 0.032 0.000 1.056 397 V CA 2.652 64.973 62.300 0.034 0.000 1.022 397 V CB -0.563 31.271 31.823 0.019 0.000 0.641 397 V HN 0.765 nan 8.190 nan 0.000 0.445 398 K N 0.115 120.532 120.400 0.029 0.000 2.009 398 K HA -0.217 4.103 4.320 0.000 0.000 0.210 398 K C 2.171 178.790 176.600 0.032 0.000 1.049 398 K CA 1.941 58.243 56.287 0.025 0.000 0.929 398 K CB -0.526 31.986 32.500 0.019 0.000 0.714 398 K HN 0.632 nan 8.250 nan 0.000 0.440 399 E N 0.304 120.537 120.200 0.055 0.000 2.150 399 E HA -0.096 4.254 4.350 0.000 0.000 0.193 399 E C 1.788 178.410 176.600 0.038 0.000 0.985 399 E CA 0.823 57.266 56.400 0.072 0.000 0.814 399 E CB 0.047 29.829 29.700 0.137 0.000 0.752 399 E HN 0.286 nan 8.360 nan 0.000 0.466 400 A N 0.837 123.685 122.820 0.046 0.000 1.930 400 A HA -0.234 4.086 4.320 0.000 0.000 0.217 400 A C 2.125 179.685 177.584 -0.039 0.000 1.175 400 A CA 1.526 53.544 52.037 -0.031 0.000 0.627 400 A CB -0.531 18.488 19.000 0.031 0.000 0.815 400 A HN 0.375 nan 8.150 nan 0.000 0.443 401 Q N -0.679 119.117 119.800 -0.005 0.000 2.050 401 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 401 Q C 2.027 178.030 176.000 0.005 0.000 0.980 401 Q CA 2.126 57.928 55.803 -0.000 0.000 0.840 401 Q CB -0.306 28.436 28.738 0.007 0.000 0.898 401 Q HN 0.582 nan 8.270 nan 0.000 0.424 402 T N 1.620 116.176 114.554 0.004 0.000 2.720 402 T HA -0.173 4.177 4.350 0.000 0.000 0.268 402 T C 1.723 176.427 174.700 0.007 0.000 1.037 402 T CA 1.237 63.342 62.100 0.007 0.000 1.144 402 T CB -0.269 68.603 68.868 0.006 0.000 0.864 402 T HN 0.195 nan 8.240 nan 0.000 0.444 403 L N 1.254 122.462 121.223 -0.026 0.000 1.994 403 L HA -0.016 4.324 4.340 0.000 0.000 0.208 403 L C 2.529 179.480 176.870 0.135 0.000 1.071 403 L CA 1.708 56.535 54.840 -0.023 0.000 0.745 403 L CB -0.430 41.498 42.059 -0.218 0.000 0.892 403 L HN 0.089 nan 8.230 nan 0.000 0.431 404 R N -0.572 119.970 120.500 0.069 0.000 2.091 404 R HA -0.115 4.226 4.340 0.000 0.000 0.238 404 R C 2.110 178.528 176.300 0.197 0.000 1.136 404 R CA 1.282 57.439 56.100 0.095 0.000 0.959 404 R CB -0.776 29.512 30.300 -0.019 0.000 0.856 404 R HN 0.485 nan 8.270 nan 0.000 0.437 405 A N 0.578 123.468 122.820 0.116 0.000 2.178 405 A HA -0.071 4.249 4.320 0.000 0.000 0.218 405 A C 1.931 179.583 177.584 0.113 0.000 1.157 405 A CA 1.181 53.277 52.037 0.098 0.000 0.689 405 A CB -0.173 18.857 19.000 0.050 0.000 0.787 405 A HN 0.177 nan 8.150 nan 0.000 0.465 406 S N -0.955 114.822 115.700 0.129 0.000 2.562 406 S HA 0.202 4.672 4.470 0.000 0.000 0.221 406 S C -0.201 174.387 174.600 -0.019 0.000 0.975 406 S CA 0.048 58.259 58.200 0.018 0.000 0.918 406 S CB -0.265 62.879 63.200 -0.093 0.000 0.772 406 S HN 0.453 nan 8.310 nan 0.000 0.531 407 F N 1.709 121.692 119.950 0.055 0.000 2.410 407 F HA 0.441 4.968 4.527 0.000 0.000 0.349 407 F C 1.313 177.153 175.800 0.067 0.000 1.117 407 F CA -0.928 57.130 58.000 0.097 0.000 1.104 407 F CB 0.903 39.940 39.000 0.062 0.000 1.122 407 F HN -0.229 nan 8.300 nan 0.000 0.483 408 R N 0.572 121.188 120.500 0.192 0.000 2.210 408 R HA 0.167 4.507 4.340 0.000 0.000 0.203 408 R C 0.096 176.479 176.300 0.138 0.000 1.010 408 R CA 0.226 56.400 56.100 0.124 0.000 1.008 408 R CB -0.113 30.221 30.300 0.056 0.000 0.923 408 R HN 0.409 nan 8.270 nan 0.000 0.469 409 S N 0.859 116.664 115.700 0.176 0.000 2.537 409 S HA 0.567 5.037 4.470 0.000 0.000 0.301 409 S C -0.736 173.923 174.600 0.098 0.000 1.092 409 S CA -0.659 57.631 58.200 0.149 0.000 1.048 409 S CB 1.955 65.292 63.200 0.228 0.000 1.053 409 S HN 0.085 nan 8.310 nan 0.000 0.501 410 L N 2.648 123.875 121.223 0.008 0.000 2.371 410 L HA 0.863 5.203 4.340 0.000 0.000 0.262 410 L C -1.697 175.130 176.870 -0.072 0.000 1.006 410 L CA -0.497 54.331 54.840 -0.020 0.000 0.818 410 L CB 1.953 44.007 42.059 -0.007 0.000 1.354 410 L HN 0.457 nan 8.230 nan 0.000 0.415 411 V N 3.951 123.837 119.914 -0.046 0.000 2.623 411 V HA 0.561 4.681 4.120 0.000 0.000 0.304 411 V C -0.969 175.130 176.094 0.007 0.000 1.054 411 V CA -0.654 61.627 62.300 -0.032 0.000 0.882 411 V CB 2.033 33.836 31.823 -0.034 0.000 1.002 411 V HN 0.531 nan 8.190 nan 0.000 0.424 412 V N 6.209 126.158 119.914 0.059 0.000 2.350 412 V HA 0.342 4.462 4.120 0.000 0.000 0.285 412 V C 0.215 176.379 176.094 0.118 0.000 1.014 412 V CA -0.164 62.183 62.300 0.079 0.000 0.831 412 V CB 1.511 33.382 31.823 0.081 0.000 1.000 412 V HN 0.728 nan 8.190 nan 0.000 0.433 413 L N 4.074 125.339 121.223 0.070 0.000 2.607 413 L HA 0.552 4.892 4.340 0.000 0.000 0.228 413 L C 1.169 178.079 176.870 0.068 0.000 1.123 413 L CA 0.896 55.773 54.840 0.061 0.000 0.890 413 L CB -0.623 41.458 42.059 0.037 0.000 1.103 413 L HN 0.965 nan 8.230 nan 0.000 0.468 414 G N -1.169 107.675 108.800 0.074 0.000 2.721 414 G HA2 0.104 4.064 3.960 0.000 0.000 0.686 414 G HA3 0.104 4.064 3.960 0.000 0.000 0.686 414 G C 0.163 175.084 174.900 0.035 0.000 1.236 414 G CA -0.631 44.505 45.100 0.061 0.000 0.786 414 G HN 0.481 nan 8.290 nan 0.000 0.616 415 G N -0.324 108.491 108.800 0.025 0.000 2.537 415 G HA2 0.785 4.745 3.960 0.000 0.000 0.297 415 G HA3 0.785 4.745 3.960 0.000 0.000 0.297 415 G C 0.642 175.552 174.900 0.017 0.000 1.310 415 G CA 0.857 45.967 45.100 0.016 0.000 1.027 415 G HN 1.832 nan 8.290 nan 0.000 0.505 416 S N -1.636 114.072 115.700 0.013 0.000 2.652 416 S HA 0.187 4.657 4.470 0.000 0.000 0.270 416 S C 1.705 176.312 174.600 0.011 0.000 1.243 416 S CA -0.395 57.812 58.200 0.013 0.000 0.999 416 S CB 0.796 64.003 63.200 0.011 0.000 0.973 416 S HN 0.670 nan 8.310 nan 0.000 0.544 417 R N 0.582 121.088 120.500 0.010 0.000 2.323 417 R HA 0.016 4.356 4.340 0.000 0.000 0.198 417 R C 1.124 177.427 176.300 0.006 0.000 0.988 417 R CA 1.217 57.321 56.100 0.008 0.000 1.041 417 R CB -1.162 29.142 30.300 0.008 0.000 0.926 417 R HN 0.690 nan 8.270 nan 0.000 0.476 418 T N -2.886 111.672 114.554 0.006 0.000 3.100 418 T HA -0.006 4.344 4.350 0.000 0.000 0.253 418 T C 0.291 174.995 174.700 0.005 0.000 1.118 418 T CA 0.199 62.302 62.100 0.005 0.000 1.058 418 T CB 0.194 69.065 68.868 0.006 0.000 0.953 418 T HN 0.082 nan 8.240 nan 0.000 0.515 419 D N 2.035 122.438 120.400 0.005 0.000 2.749 419 D HA 0.285 4.925 4.640 0.000 0.000 0.338 419 D C -1.521 174.781 176.300 0.002 0.000 1.236 419 D CA -2.442 51.561 54.000 0.004 0.000 0.845 419 D CB 1.184 41.987 40.800 0.005 0.000 1.080 419 D HN 0.056 nan 8.370 nan 0.000 0.497 420 P HA -0.206 nan 4.420 nan 0.000 0.219 420 P C 1.364 178.662 177.300 -0.003 0.000 1.146 420 P CA 0.817 63.917 63.100 -0.001 0.000 0.808 420 P CB 0.538 32.238 31.700 -0.001 0.000 0.779 421 K N -0.290 120.108 120.400 -0.002 0.000 2.097 421 K HA -0.072 4.248 4.320 0.000 0.000 0.205 421 K C 1.968 178.564 176.600 -0.006 0.000 1.050 421 K CA 1.611 57.896 56.287 -0.004 0.000 0.938 421 K CB -0.391 32.107 32.500 -0.002 0.000 0.718 421 K HN -0.015 nan 8.250 nan 0.000 0.442 422 T N 1.293 115.845 114.554 -0.004 0.000 2.904 422 T HA -0.018 4.332 4.350 0.000 0.000 0.267 422 T C 1.415 176.109 174.700 -0.009 0.000 1.059 422 T CA 0.926 63.022 62.100 -0.006 0.000 1.137 422 T CB -0.159 68.707 68.868 -0.003 0.000 0.879 422 T HN 0.295 nan 8.240 nan 0.000 0.467 423 N N 1.270 119.966 118.700 -0.007 0.000 2.244 423 N HA -0.094 4.646 4.740 0.000 0.000 0.183 423 N C 1.936 177.433 175.510 -0.021 0.000 1.016 423 N CA 0.974 54.017 53.050 -0.011 0.000 0.866 423 N CB -0.251 38.233 38.487 -0.005 0.000 0.980 423 N HN 0.445 nan 8.380 nan 0.000 0.430 424 E N 1.582 121.771 120.200 -0.018 0.000 2.072 424 E HA -0.163 4.187 4.350 0.000 0.000 0.191 424 E C 1.464 178.048 176.600 -0.026 0.000 0.985 424 E CA 1.192 57.580 56.400 -0.021 0.000 0.801 424 E CB -0.346 29.345 29.700 -0.015 0.000 0.750 424 E HN 0.139 nan 8.360 nan 0.000 0.452 425 D N -0.299 120.088 120.400 -0.022 0.000 2.117 425 D HA -0.155 4.485 4.640 0.000 0.000 0.197 425 D C 1.918 178.199 176.300 -0.031 0.000 0.987 425 D CA 1.475 55.462 54.000 -0.023 0.000 0.829 425 D CB -0.131 40.659 40.800 -0.017 0.000 0.961 425 D HN 0.326 nan 8.370 nan 0.000 0.460 426 M N -0.426 119.153 119.600 -0.035 0.000 2.200 426 M HA -0.081 4.399 4.480 0.000 0.000 0.265 426 M C 2.444 178.699 176.300 -0.076 0.000 1.066 426 M CA 0.844 56.116 55.300 -0.048 0.000 1.127 426 M CB -0.201 32.376 32.600 -0.038 0.000 1.379 426 M HN -0.074 nan 8.290 nan 0.000 0.420 427 S N 1.066 116.721 115.700 -0.074 0.000 2.348 427 S HA -0.132 4.338 4.470 0.000 0.000 0.221 427 S C 1.863 176.416 174.600 -0.079 0.000 1.033 427 S CA 1.097 59.241 58.200 -0.094 0.000 1.010 427 S CB -0.312 62.846 63.200 -0.069 0.000 0.891 427 S HN 0.487 nan 8.310 nan 0.000 0.442 428 L N 1.000 122.191 121.223 -0.054 0.000 2.042 428 L HA -0.091 4.249 4.340 0.000 0.000 0.210 428 L C 2.392 179.238 176.870 -0.040 0.000 1.076 428 L CA 1.828 56.643 54.840 -0.042 0.000 0.749 428 L CB -0.852 41.190 42.059 -0.029 0.000 0.893 428 L HN 0.369 nan 8.230 nan 0.000 0.432 429 S N -0.052 115.623 115.700 -0.041 0.000 2.382 429 S HA -0.145 4.325 4.470 0.000 0.000 0.228 429 S C 1.756 176.332 174.600 -0.040 0.000 1.027 429 S CA 0.788 58.968 58.200 -0.033 0.000 0.991 429 S CB -0.149 63.032 63.200 -0.031 0.000 0.823 429 S HN 0.238 nan 8.310 nan 0.000 0.469 430 L N 0.906 122.086 121.223 -0.072 0.000 2.131 430 L HA 0.145 4.485 4.340 0.000 0.000 0.210 430 L C 1.419 178.253 176.870 -0.059 0.000 1.092 430 L CA 1.479 56.265 54.840 -0.090 0.000 0.759 430 L CB -1.794 40.153 42.059 -0.187 0.000 0.903 430 L HN 0.476 nan 8.230 nan 0.000 0.435 431 G N -0.658 108.108 108.800 -0.056 0.000 2.699 431 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 431 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 431 G C -0.361 174.500 174.900 -0.064 0.000 1.301 431 G CA -0.605 44.471 45.100 -0.040 0.000 0.816 431 G HN 0.180 nan 8.290 nan 0.000 0.595 432 E N -0.237 119.933 120.200 -0.050 0.000 2.254 432 E HA 0.688 5.038 4.350 0.000 0.000 0.258 432 E C 0.291 176.877 176.600 -0.023 0.000 1.033 432 E CA -0.531 55.821 56.400 -0.079 0.000 0.893 432 E CB 1.393 31.066 29.700 -0.046 0.000 1.204 432 E HN 0.832 nan 8.360 nan 0.000 0.425 433 H N -1.623 117.364 119.070 -0.137 0.000 3.012 433 H HA 0.514 5.070 4.556 0.000 0.000 0.367 433 H C -1.255 173.862 175.328 -0.352 0.000 1.211 433 H CA -1.004 54.900 56.048 -0.240 0.000 1.139 433 H CB 1.905 31.542 29.762 -0.209 0.000 1.838 433 H HN 0.376 nan 8.280 nan 0.000 0.550 434 E N 2.180 122.141 120.200 -0.398 0.000 2.166 434 E HA 0.509 4.859 4.350 0.000 0.000 0.275 434 E C -1.493 174.685 176.600 -0.704 0.000 0.941 434 E CA -0.888 55.265 56.400 -0.412 0.000 0.784 434 E CB 2.168 31.685 29.700 -0.304 0.000 1.115 434 E HN 0.411 nan 8.360 nan 0.000 0.399 435 V N 3.213 122.764 119.914 -0.606 0.000 3.159 435 V HA 0.346 4.466 4.120 0.000 0.000 0.308 435 V C -1.083 174.828 176.094 -0.305 0.000 1.190 435 V CA -0.811 61.098 62.300 -0.652 0.000 1.037 435 V CB 2.461 33.565 31.823 -1.198 0.000 1.060 435 V HN 0.713 nan 8.190 nan 0.000 0.437 436 E N 2.197 122.306 120.200 -0.153 0.000 2.187 436 E HA 0.671 5.021 4.350 0.000 0.000 0.268 436 E C -0.796 175.836 176.600 0.055 0.000 0.896 436 E CA -0.638 55.739 56.400 -0.038 0.000 0.766 436 E CB 2.849 32.541 29.700 -0.012 0.000 1.142 436 E HN 0.412 nan 8.360 nan 0.000 0.408 437 R N 1.309 121.839 120.500 0.051 0.000 2.947 437 R HA 0.318 4.658 4.340 0.000 0.000 0.253 437 R C -1.138 175.199 176.300 0.062 0.000 1.208 437 R CA -0.630 55.527 56.100 0.095 0.000 1.012 437 R CB 1.397 31.767 30.300 0.117 0.000 1.267 437 R HN 0.647 nan 8.270 nan 0.000 0.473 454 L N 0.970 122.199 121.223 0.010 0.000 2.535 454 L HA 0.119 4.459 4.340 0.000 0.000 0.301 454 L C 0.953 177.826 176.870 0.005 0.000 1.275 454 L CA 0.926 55.772 54.840 0.011 0.000 0.843 454 L CB 0.392 42.457 42.059 0.010 0.000 1.094 454 L HN 0.772 nan 8.230 nan 0.000 0.532 455 E N 1.632 121.836 120.200 0.005 0.000 2.222 455 E HA 0.542 4.892 4.350 0.000 0.000 0.267 455 E C -0.984 175.603 176.600 -0.022 0.000 0.884 455 E CA -1.089 55.309 56.400 -0.004 0.000 0.764 455 E CB 1.671 31.374 29.700 0.005 0.000 1.169 455 E HN 0.344 nan 8.360 nan 0.000 0.413 456 R N 2.058 122.536 120.500 -0.036 0.000 2.229 456 R HA 0.471 4.811 4.340 0.000 0.000 0.328 456 R C -1.207 175.053 176.300 -0.067 0.000 1.009 456 R CA -0.374 55.687 56.100 -0.065 0.000 0.864 456 R CB 1.476 31.738 30.300 -0.064 0.000 1.085 456 R HN 0.455 nan 8.270 nan 0.000 0.453 457 V N 3.802 123.658 119.914 -0.096 0.000 2.789 457 V HA 0.493 4.613 4.120 0.000 0.000 0.311 457 V C -0.334 175.704 176.094 -0.094 0.000 1.073 457 V CA -0.968 61.289 62.300 -0.072 0.000 0.921 457 V CB 2.349 34.151 31.823 -0.034 0.000 1.009 457 V HN 0.675 nan 8.190 nan 0.000 0.426 458 R N 2.721 123.193 120.500 -0.047 0.000 2.393 458 R HA 0.720 5.060 4.340 0.000 0.000 0.310 458 R C -0.760 175.550 176.300 0.016 0.000 0.968 458 R CA -0.447 55.636 56.100 -0.027 0.000 0.867 458 R CB 1.560 31.839 30.300 -0.035 0.000 1.124 458 R HN 0.945 nan 8.270 nan 0.000 0.450 459 E N 2.238 122.468 120.200 0.051 0.000 2.407 459 E HA 0.375 4.725 4.350 0.000 0.000 0.279 459 E C -1.059 175.491 176.600 -0.083 0.000 1.012 459 E CA -1.258 55.157 56.400 0.025 0.000 0.800 459 E CB 1.147 30.916 29.700 0.115 0.000 1.276 459 E HN 0.079 nan 8.360 nan 0.000 0.452 460 R N 0.990 121.457 120.500 -0.055 0.000 2.442 460 R HA 0.122 4.462 4.340 0.000 0.000 0.291 460 R C 0.929 177.165 176.300 -0.108 0.000 1.069 460 R CA -0.110 55.935 56.100 -0.090 0.000 1.022 460 R CB 0.934 31.205 30.300 -0.049 0.000 0.976 460 R HN 0.512 nan 8.270 nan 0.000 0.443 461 V N 2.658 122.455 119.914 -0.195 0.000 2.490 461 V HA -0.117 4.003 4.120 0.000 0.000 0.250 461 V C 0.941 177.086 176.094 0.085 0.000 1.061 461 V CA 1.377 63.620 62.300 -0.096 0.000 1.064 461 V CB 0.008 31.765 31.823 -0.108 0.000 0.670 461 V HN 0.398 nan 8.190 nan 0.000 0.461 462 V N 0.843 120.717 119.914 -0.066 0.000 2.447 462 V HA 0.363 4.483 4.120 0.000 0.000 0.292 462 V C -0.177 175.857 176.094 -0.100 0.000 1.021 462 V CA -0.497 61.727 62.300 -0.127 0.000 0.850 462 V CB 1.534 33.117 31.823 -0.401 0.000 1.005 462 V HN 0.241 nan 8.190 nan 0.000 0.426 463 M N 5.458 125.026 119.600 -0.054 0.000 2.245 463 M HA 0.175 4.655 4.480 0.000 0.000 0.330 463 M C -1.308 174.967 176.300 -0.042 0.000 1.098 463 M CA -1.028 54.249 55.300 -0.040 0.000 1.172 463 M CB 1.010 33.594 32.600 -0.026 0.000 1.467 463 M HN 0.321 nan 8.290 nan 0.000 0.454 464 P HA -0.146 nan 4.420 nan 0.000 0.216 464 P C 0.770 178.063 177.300 -0.012 0.000 1.150 464 P CA 1.597 64.681 63.100 -0.026 0.000 0.837 464 P CB -0.014 31.674 31.700 -0.019 0.000 0.786 465 A N -0.113 122.702 122.820 -0.009 0.000 1.972 465 A HA -0.220 4.100 4.320 0.000 0.000 0.219 465 A C 2.082 179.671 177.584 0.008 0.000 1.169 465 A CA 1.514 53.551 52.037 -0.001 0.000 0.635 465 A CB -1.073 17.924 19.000 -0.004 0.000 0.810 465 A HN 0.206 nan 8.150 nan 0.000 0.446 466 E N -0.404 119.801 120.200 0.008 0.000 2.152 466 E HA -0.076 4.274 4.350 0.000 0.000 0.192 466 E C 1.737 178.380 176.600 0.071 0.000 0.983 466 E CA 0.937 57.358 56.400 0.035 0.000 0.818 466 E CB -0.198 29.525 29.700 0.039 0.000 0.758 466 E HN 0.716 nan 8.360 nan 0.000 0.467 467 I N 0.883 121.482 120.570 0.049 0.000 2.439 467 I HA -0.150 4.020 4.170 0.000 0.000 0.251 467 I C 2.394 178.544 176.117 0.054 0.000 1.139 467 I CA 0.600 61.943 61.300 0.071 0.000 1.438 467 I CB -0.151 37.861 38.000 0.021 0.000 1.085 467 I HN 0.035 nan 8.210 nan 0.000 0.427 468 A N 0.347 123.185 122.820 0.031 0.000 2.119 468 A HA -0.054 4.266 4.320 0.000 0.000 0.217 468 A C 1.689 179.287 177.584 0.024 0.000 1.153 468 A CA 1.083 53.134 52.037 0.023 0.000 0.692 468 A CB -0.331 18.677 19.000 0.013 0.000 0.799 468 A HN 0.408 nan 8.150 nan 0.000 0.458 469 N N -0.391 118.327 118.700 0.029 0.000 2.204 469 N HA 0.192 4.932 4.740 0.000 0.000 0.219 469 N C -0.310 175.218 175.510 0.031 0.000 1.151 469 N CA -0.107 52.958 53.050 0.024 0.000 0.867 469 N CB 0.452 38.950 38.487 0.018 0.000 1.043 469 N HN 0.372 nan 8.380 nan 0.000 0.516 470 L N 3.618 124.869 121.223 0.047 0.000 2.499 470 L HA 0.123 4.463 4.340 0.000 0.000 0.273 470 L C -1.660 175.223 176.870 0.021 0.000 1.195 470 L CA -0.876 53.992 54.840 0.047 0.000 0.882 470 L CB 0.538 42.646 42.059 0.081 0.000 1.133 470 L HN -0.099 nan 8.230 nan 0.000 0.483 471 P HA 0.107 nan 4.420 nan 0.000 0.274 471 P C -1.070 176.229 177.300 -0.001 0.000 1.231 471 P CA -0.550 62.550 63.100 -0.000 0.000 0.790 471 P CB 0.795 32.490 31.700 -0.009 0.000 0.951 472 D N 0.810 121.211 120.400 0.002 0.000 2.382 472 D HA 0.181 4.821 4.640 0.000 0.000 0.240 472 D C 0.896 177.196 176.300 -0.001 0.000 1.146 472 D CA 0.144 54.146 54.000 0.004 0.000 0.897 472 D CB -0.010 40.794 40.800 0.007 0.000 1.197 472 D HN 0.356 nan 8.370 nan 0.000 0.432 473 L N -0.205 121.019 121.223 0.002 0.000 4.140 473 L HA -0.225 4.115 4.340 0.000 0.000 0.406 473 L C -0.461 176.400 176.870 -0.016 0.000 1.175 473 L CA 0.407 55.247 54.840 0.001 0.000 0.939 473 L CB -1.970 40.091 42.059 0.003 0.000 2.105 473 L HN 0.419 nan 8.230 nan 0.000 0.803 474 T N -0.215 114.322 114.554 -0.029 0.000 2.848 474 T HA 0.806 5.156 4.350 0.000 0.000 0.285 474 T C -0.003 174.646 174.700 -0.086 0.000 0.995 474 T CA 0.175 62.231 62.100 -0.073 0.000 0.970 474 T CB 2.149 70.962 68.868 -0.092 0.000 0.976 474 T HN 0.357 nan 8.240 nan 0.000 0.441 475 A N 2.460 125.203 122.820 -0.128 0.000 2.515 475 A HA 0.822 5.142 4.320 0.000 0.000 0.296 475 A C -1.971 175.497 177.584 -0.193 0.000 1.094 475 A CA -0.752 51.228 52.037 -0.095 0.000 0.718 475 A CB 1.194 20.178 19.000 -0.028 0.000 1.307 475 A HN 0.779 nan 8.150 nan 0.000 0.408 476 Y N 0.486 120.774 120.300 -0.020 0.000 2.331 476 Y HA 0.477 5.027 4.550 0.000 0.000 0.338 476 Y C -0.020 175.840 175.900 -0.066 0.000 0.976 476 Y CA -0.323 57.763 58.100 -0.024 0.000 1.137 476 Y CB 1.995 40.447 38.460 -0.013 0.000 1.172 476 Y HN 0.372 nan 8.280 nan 0.000 0.478 477 V N 3.195 123.130 119.914 0.036 0.000 2.370 477 V HA 0.620 4.740 4.120 0.000 0.000 0.279 477 V C 0.330 176.338 176.094 -0.144 0.000 1.029 477 V CA -0.662 61.550 62.300 -0.146 0.000 0.870 477 V CB 1.289 32.968 31.823 -0.240 0.000 0.984 477 V HN 0.939 nan 8.190 nan 0.000 0.451 478 G N 4.328 113.012 108.800 -0.194 0.000 3.378 478 G HA2 0.566 4.526 3.960 0.000 0.000 0.332 478 G HA3 0.566 4.526 3.960 0.000 0.000 0.332 478 G C -0.687 174.158 174.900 -0.091 0.000 1.490 478 G CA -0.288 44.765 45.100 -0.079 0.000 1.068 478 G HN 0.359 nan 8.290 nan 0.000 0.492 479 F N 1.635 121.624 119.950 0.066 0.000 2.440 479 F HA 0.493 5.020 4.527 0.000 0.000 0.323 479 F C 1.303 177.132 175.800 0.047 0.000 1.192 479 F CA 0.088 58.123 58.000 0.059 0.000 1.252 479 F CB 0.944 39.975 39.000 0.051 0.000 1.214 479 F HN 0.522 nan 8.300 nan 0.000 0.578 480 A N 1.220 124.204 122.820 0.274 0.000 2.448 480 A HA 0.505 4.825 4.320 0.000 0.000 0.239 480 A C 0.767 178.418 177.584 0.113 0.000 1.080 480 A CA 0.321 52.447 52.037 0.147 0.000 0.779 480 A CB -0.778 18.285 19.000 0.105 0.000 1.026 480 A HN 1.611 nan 8.150 nan 0.000 0.499 481 G N 0.550 109.394 108.800 0.075 0.000 2.642 481 G HA2 -0.190 3.770 3.960 0.000 0.000 0.231 481 G HA3 -0.190 3.770 3.960 0.000 0.000 0.231 481 G C -0.015 174.922 174.900 0.062 0.000 1.338 481 G CA 0.176 45.309 45.100 0.055 0.000 0.883 481 G HN 1.562 nan 8.290 nan 0.000 0.570 482 N N 1.657 120.386 118.700 0.048 0.000 2.739 482 N HA 0.356 5.096 4.740 0.000 0.000 0.266 482 N C 0.180 175.719 175.510 0.049 0.000 1.168 482 N CA 0.130 53.208 53.050 0.046 0.000 1.055 482 N CB -0.244 38.264 38.487 0.034 0.000 1.393 482 N HN 0.584 nan 8.380 nan 0.000 0.514 483 R N 2.255 122.798 120.500 0.071 0.000 2.673 483 R HA 0.510 4.850 4.340 0.000 0.000 0.281 483 R C -2.522 173.827 176.300 0.083 0.000 0.991 483 R CA -1.508 54.643 56.100 0.084 0.000 0.896 483 R CB 1.478 31.866 30.300 0.147 0.000 1.201 483 R HN 0.373 nan 8.270 nan 0.000 0.457 484 P HA 0.296 nan 4.420 nan 0.000 0.276 484 P C -0.017 177.341 177.300 0.097 0.000 1.261 484 P CA -0.465 62.668 63.100 0.054 0.000 0.800 484 P CB 0.774 32.485 31.700 0.018 0.000 1.066 485 I N -2.603 118.028 120.570 0.101 0.000 2.924 485 I HA 0.842 5.012 4.170 0.000 0.000 0.316 485 I C -0.624 175.584 176.117 0.151 0.000 1.014 485 I CA -1.300 60.074 61.300 0.123 0.000 1.106 485 I CB 1.688 39.763 38.000 0.125 0.000 1.311 485 I HN 0.405 nan 8.210 nan 0.000 0.502 486 A N 2.647 125.566 122.820 0.164 0.000 2.547 486 A HA 0.498 4.818 4.320 0.000 0.000 0.297 486 A C -1.137 176.483 177.584 0.060 0.000 1.056 486 A CA -0.827 51.288 52.037 0.130 0.000 0.688 486 A CB 1.575 20.629 19.000 0.090 0.000 1.282 486 A HN 0.780 nan 8.150 nan 0.000 0.400 487 K N 2.059 122.432 120.400 -0.046 0.000 2.267 487 K HA 0.580 4.901 4.320 0.000 0.000 0.282 487 K C -1.277 175.209 176.600 -0.191 0.000 1.078 487 K CA -0.143 55.928 56.287 -0.361 0.000 0.903 487 K CB 0.604 32.847 32.500 -0.428 0.000 1.111 487 K HN 0.470 nan 8.250 nan 0.000 0.475 488 V N 6.388 126.197 119.914 -0.176 0.000 2.769 488 V HA 0.505 4.625 4.120 0.000 0.000 0.312 488 V C -2.271 173.773 176.094 -0.083 0.000 1.061 488 V CA -1.918 60.331 62.300 -0.086 0.000 0.931 488 V CB 1.867 33.673 31.823 -0.029 0.000 1.010 488 V HN 0.830 nan 8.190 nan 0.000 0.433 489 P HA 0.425 nan 4.420 nan 0.000 0.288 489 P C -1.103 176.191 177.300 -0.010 0.000 1.267 489 P CA -0.434 62.645 63.100 -0.035 0.000 0.815 489 P CB 1.626 33.310 31.700 -0.026 0.000 0.989 490 L N 2.742 123.963 121.223 -0.002 0.000 2.334 490 L HA 0.302 4.643 4.340 0.000 0.000 0.277 490 L C 1.110 177.993 176.870 0.022 0.000 1.075 490 L CA -0.463 54.389 54.840 0.020 0.000 0.804 490 L CB 0.771 42.846 42.059 0.026 0.000 1.174 490 L HN 0.437 nan 8.230 nan 0.000 0.438 491 E N 3.918 124.139 120.200 0.035 0.000 2.133 491 E HA 0.342 4.692 4.350 0.000 0.000 0.274 491 E C -0.705 175.916 176.600 0.035 0.000 0.930 491 E CA -0.617 55.798 56.400 0.026 0.000 0.770 491 E CB 1.730 31.445 29.700 0.024 0.000 1.104 491 E HN 0.479 nan 8.360 nan 0.000 0.403 492 I N 3.643 124.224 120.570 0.018 0.000 2.352 492 I HA 0.027 4.197 4.170 0.000 0.000 0.303 492 I C 0.659 176.765 176.117 -0.019 0.000 1.194 492 I CA -0.137 61.178 61.300 0.024 0.000 1.518 492 I CB -0.382 37.626 38.000 0.013 0.000 1.489 492 I HN 0.462 nan 8.210 nan 0.000 0.702 493 K N 4.470 124.853 120.400 -0.029 0.000 2.355 493 K HA 0.083 4.403 4.320 0.000 0.000 0.270 493 K C -0.070 176.311 176.600 -0.366 0.000 1.003 493 K CA -0.342 55.803 56.287 -0.237 0.000 0.957 493 K CB 0.713 33.002 32.500 -0.353 0.000 0.939 493 K HN 0.357 nan 8.250 nan 0.000 0.482 494 Q N 3.042 122.560 119.800 -0.469 0.000 2.278 494 Q HA 0.295 4.635 4.340 0.000 0.000 0.257 494 Q C -1.153 174.490 176.000 -0.595 0.000 0.928 494 Q CA -0.130 55.458 55.803 -0.358 0.000 0.932 494 Q CB 1.000 29.618 28.738 -0.199 0.000 1.221 494 Q HN 0.408 nan 8.270 nan 0.000 0.434 495 F N 0.505 120.383 119.950 -0.120 0.000 2.507 495 F HA 0.577 5.104 4.527 0.000 0.000 0.325 495 F C 0.382 176.092 175.800 -0.151 0.000 1.116 495 F CA -1.066 56.841 58.000 -0.154 0.000 0.930 495 F CB 1.577 40.444 39.000 -0.222 0.000 1.146 495 F HN 0.473 nan 8.300 nan 0.000 0.447 496 A N 2.674 125.515 122.820 0.034 0.000 2.354 496 A HA 0.330 4.650 4.320 0.000 0.000 0.269 496 A C -0.123 177.435 177.584 -0.043 0.000 1.109 496 A CA -0.696 51.333 52.037 -0.015 0.000 0.800 496 A CB 0.031 19.022 19.000 -0.016 0.000 1.045 496 A HN 0.895 nan 8.150 nan 0.000 0.489 497 N N 1.057 119.717 118.700 -0.066 0.000 2.416 497 N HA 0.127 4.867 4.740 0.000 0.000 0.271 497 N C 0.905 176.366 175.510 -0.082 0.000 1.245 497 N CA -0.090 52.901 53.050 -0.098 0.000 0.940 497 N CB 0.455 38.888 38.487 -0.089 0.000 1.175 497 N HN 0.700 nan 8.380 nan 0.000 0.483 498 R N 2.267 122.709 120.500 -0.096 0.000 2.480 498 R HA 0.184 4.524 4.340 0.000 0.000 0.277 498 R C -0.053 176.196 176.300 -0.085 0.000 1.008 498 R CA -0.090 55.971 56.100 -0.065 0.000 1.090 498 R CB 0.314 30.595 30.300 -0.032 0.000 1.234 498 R HN 0.579 nan 8.270 nan 0.000 0.549 499 Q N 0.535 120.270 119.800 -0.109 0.000 2.939 499 Q HA 0.220 4.560 4.340 0.000 0.000 0.274 499 Q C -2.997 172.930 176.000 -0.122 0.000 0.941 499 Q CA -1.577 54.156 55.803 -0.118 0.000 0.824 499 Q CB 2.186 30.831 28.738 -0.155 0.000 1.779 499 Q HN 0.102 nan 8.270 nan 0.000 0.470 500 P HA 0.165 nan 4.420 nan 0.000 0.280 500 P C -0.416 176.828 177.300 -0.093 0.000 1.244 500 P CA 0.270 63.315 63.100 -0.091 0.000 0.784 500 P CB 1.443 33.093 31.700 -0.084 0.000 0.913 501 A N 4.058 126.839 122.820 -0.065 0.000 1.883 501 A HA -0.090 4.230 4.320 0.000 0.000 0.217 501 A C 0.669 178.294 177.584 0.068 0.000 1.186 501 A CA 1.418 53.428 52.037 -0.045 0.000 0.624 501 A CB -0.718 18.256 19.000 -0.042 0.000 0.822 501 A HN 0.589 nan 8.150 nan 0.000 0.444 502 F N -1.629 118.270 119.950 -0.085 0.000 2.578 502 F HA 0.577 5.104 4.527 0.000 0.000 0.311 502 F C -1.267 174.511 175.800 -0.038 0.000 1.094 502 F CA -1.511 56.457 58.000 -0.053 0.000 0.923 502 F CB 2.156 41.133 39.000 -0.037 0.000 1.230 502 F HN -0.178 nan 8.300 nan 0.000 0.450 503 V N 5.103 124.501 119.914 -0.859 0.000 2.445 503 V HA 0.231 4.351 4.120 0.000 0.000 0.283 503 V C -0.306 175.230 176.094 -0.931 0.000 1.014 503 V CA -0.840 61.055 62.300 -0.675 0.000 0.852 503 V CB 1.274 32.900 31.823 -0.329 0.000 1.021 503 V HN 0.812 nan 8.190 nan 0.000 0.435 504 E N 2.797 122.467 120.200 -0.883 0.000 2.415 504 E HA 0.429 4.779 4.350 0.000 0.000 0.262 504 E C 0.697 177.175 176.600 -0.203 0.000 1.038 504 E CA 0.411 56.522 56.400 -0.482 0.000 0.921 504 E CB 1.066 30.703 29.700 -0.104 0.000 0.950 504 E HN 0.788 nan 8.360 nan 0.000 0.438 505 G N 0.000 108.760 108.800 -0.066 0.000 5.446 505 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 505 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 505 G CA 0.000 45.080 45.100 -0.034 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925