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 1gki_1_G 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 XXXXXXXXER 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 0.000 174.971 174.900 0.119 0.000 0.946 77 G CA 0.000 45.145 45.100 0.074 0.000 0.502 78 E N 0.363 120.638 120.200 0.125 0.000 1.975 78 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 78 E C 0.218 176.977 176.600 0.265 0.000 1.338 78 E CA 0.293 56.804 56.400 0.185 0.000 0.680 78 E CB -0.527 29.262 29.700 0.149 0.000 1.049 78 E HN 0.483 nan 8.360 nan 0.000 0.315 79 F N -0.144 119.904 119.950 0.162 0.000 2.538 79 F HA 0.200 4.727 4.527 -0.000 0.000 0.371 79 F C 1.582 177.476 175.800 0.156 0.000 1.087 79 F CA 0.513 58.625 58.000 0.186 0.000 1.250 79 F CB 0.872 40.063 39.000 0.319 0.000 1.110 79 F HN -0.018 nan 8.300 nan 0.000 0.570 80 G N 4.487 113.103 108.800 -0.306 0.000 2.462 80 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 80 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 80 G C 0.904 175.351 174.900 -0.755 0.000 1.121 80 G CA 0.537 45.372 45.100 -0.441 0.000 0.758 80 G HN 0.992 nan 8.290 nan 0.000 0.559 81 G N -0.284 107.455 108.800 -1.768 0.000 2.508 81 G HA2 0.511 4.471 3.960 -0.000 0.000 0.278 81 G HA3 0.511 4.471 3.960 -0.000 0.000 0.278 81 G C 0.285 174.979 174.900 -0.344 0.000 1.389 81 G CA 0.053 44.562 45.100 -0.985 0.000 1.050 81 G HN 0.596 nan 8.290 nan 0.000 0.522 82 A N 0.198 123.063 122.820 0.074 0.000 2.477 82 A HA 0.526 4.846 4.320 -0.000 0.000 0.246 82 A C -1.944 175.906 177.584 0.444 0.000 1.078 82 A CA -0.663 51.499 52.037 0.208 0.000 0.770 82 A CB -0.272 18.842 19.000 0.189 0.000 1.011 82 A HN 0.419 nan 8.150 nan 0.000 0.494 83 P HA 0.331 nan 4.420 nan 0.000 0.268 83 P C -0.671 176.820 177.300 0.320 0.000 1.208 83 P CA 0.344 63.613 63.100 0.282 0.000 0.777 83 P CB 0.227 31.988 31.700 0.101 0.000 0.875 84 F N -0.559 119.476 119.950 0.142 0.000 2.611 84 F HA 0.620 5.147 4.527 -0.000 0.000 0.324 84 F C 1.227 177.053 175.800 0.042 0.000 1.061 84 F CA -1.247 56.795 58.000 0.070 0.000 0.954 84 F CB 1.112 40.118 39.000 0.009 0.000 1.301 84 F HN 0.147 nan 8.300 nan 0.000 0.482 85 K N 0.359 120.873 120.400 0.190 0.000 2.021 85 K HA 0.119 4.439 4.320 -0.000 0.000 0.205 85 K C 0.177 176.856 176.600 0.131 0.000 1.047 85 K CA 0.829 57.171 56.287 0.091 0.000 0.943 85 K CB 0.190 32.741 32.500 0.085 0.000 0.725 85 K HN 0.749 nan 8.250 nan 0.000 0.439 86 R N 0.063 120.720 120.500 0.262 0.000 2.673 86 R HA 0.153 4.493 4.340 -0.000 0.000 0.281 86 R C -1.819 174.673 176.300 0.320 0.000 0.991 86 R CA -0.618 55.635 56.100 0.255 0.000 0.896 86 R CB 1.167 31.538 30.300 0.119 0.000 1.201 86 R HN 0.037 nan 8.270 nan 0.000 0.457 87 F N 4.958 125.013 119.950 0.176 0.000 2.404 87 F HA 0.293 4.820 4.527 -0.000 0.000 0.345 87 F C 0.072 175.828 175.800 -0.073 0.000 1.110 87 F CA -0.335 57.655 58.000 -0.016 0.000 1.130 87 F CB 0.859 39.910 39.000 0.087 0.000 1.129 87 F HN 0.534 nan 8.300 nan 0.000 0.500 88 L N 4.138 124.909 121.223 -0.753 0.000 2.276 88 L HA 0.347 4.687 4.340 -0.000 0.000 0.194 88 L C 0.011 176.559 176.870 -0.538 0.000 1.099 88 L CA 0.037 54.594 54.840 -0.473 0.000 0.800 88 L CB -0.080 41.758 42.059 -0.368 0.000 0.994 88 L HN 0.615 nan 8.230 nan 0.000 0.475 89 R N -1.672 118.299 120.500 -0.881 0.000 2.747 89 R HA 0.708 5.048 4.340 -0.000 0.000 0.272 89 R C -0.506 175.560 176.300 -0.391 0.000 1.032 89 R CA -0.339 55.507 56.100 -0.424 0.000 0.896 89 R CB 0.450 30.648 30.300 -0.169 0.000 1.253 89 R HN 0.159 nan 8.270 nan 0.000 0.461 90 G N -0.218 108.589 108.800 0.011 0.000 2.548 90 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.208 90 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.208 90 G C -0.938 174.125 174.900 0.270 0.000 1.308 90 G CA -0.458 44.697 45.100 0.092 0.000 0.924 90 G HN 0.691 nan 8.290 nan 0.000 0.540 91 T N 1.791 116.465 114.554 0.199 0.000 2.870 91 T HA 0.508 4.858 4.350 -0.000 0.000 0.300 91 T C 0.785 175.662 174.700 0.295 0.000 0.989 91 T CA 0.588 62.799 62.100 0.185 0.000 1.139 91 T CB 0.192 69.110 68.868 0.083 0.000 0.920 91 T HN 0.735 nan 8.240 nan 0.000 0.537 92 R N 2.976 123.581 120.500 0.174 0.000 2.445 92 R HA 0.715 5.055 4.340 -0.000 0.000 0.308 92 R C -0.769 175.572 176.300 0.068 0.000 0.961 92 R CA -0.843 55.286 56.100 0.049 0.000 0.862 92 R CB 1.281 31.404 30.300 -0.295 0.000 1.144 92 R HN 0.560 nan 8.270 nan 0.000 0.447 93 I N 3.091 123.734 120.570 0.121 0.000 2.460 93 I HA 0.476 4.646 4.170 -0.000 0.000 0.298 93 I C -1.000 175.196 176.117 0.131 0.000 0.989 93 I CA -1.121 60.274 61.300 0.159 0.000 1.173 93 I CB 1.779 39.935 38.000 0.260 0.000 1.338 93 I HN 0.487 nan 8.210 nan 0.000 0.456 94 V N 5.298 125.280 119.914 0.114 0.000 3.141 94 V HA 0.451 4.571 4.120 -0.000 0.000 0.312 94 V C -0.241 175.904 176.094 0.086 0.000 1.157 94 V CA -0.499 61.851 62.300 0.083 0.000 1.041 94 V CB 2.697 34.550 31.823 0.050 0.000 1.071 94 V HN 0.882 nan 8.190 nan 0.000 0.441 95 S N 1.429 117.167 115.700 0.065 0.000 2.585 95 S HA 0.302 4.772 4.470 -0.000 0.000 0.273 95 S C 1.371 175.996 174.600 0.043 0.000 1.339 95 S CA 0.224 58.455 58.200 0.051 0.000 1.028 95 S CB 1.224 64.447 63.200 0.039 0.000 0.906 95 S HN 1.296 nan 8.310 nan 0.000 0.528 96 G N 1.934 110.750 108.800 0.028 0.000 2.529 96 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.219 96 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.219 96 G C 1.390 176.312 174.900 0.037 0.000 1.177 96 G CA 0.788 45.902 45.100 0.025 0.000 0.773 96 G HN 1.076 nan 8.290 nan 0.000 0.573 97 G N 0.086 108.904 108.800 0.030 0.000 2.422 97 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 97 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 97 G C 1.735 176.656 174.900 0.036 0.000 1.146 97 G CA 1.232 46.351 45.100 0.031 0.000 0.769 97 G HN 0.470 nan 8.290 nan 0.000 0.547 98 K N -0.444 119.978 120.400 0.035 0.000 2.097 98 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 98 K C 2.414 179.043 176.600 0.047 0.000 1.049 98 K CA 0.964 57.272 56.287 0.035 0.000 0.933 98 K CB -0.205 32.313 32.500 0.030 0.000 0.717 98 K HN 0.307 nan 8.250 nan 0.000 0.442 99 L N 1.742 123.002 121.223 0.063 0.000 2.056 99 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 99 L C 1.811 178.743 176.870 0.102 0.000 1.078 99 L CA 1.759 56.655 54.840 0.093 0.000 0.749 99 L CB -0.266 41.860 42.059 0.113 0.000 0.901 99 L HN -0.006 nan 8.230 nan 0.000 0.433 100 K N -0.776 119.677 120.400 0.089 0.000 2.113 100 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 100 K C 2.202 178.838 176.600 0.059 0.000 1.047 100 K CA 1.694 58.031 56.287 0.083 0.000 0.928 100 K CB -0.191 32.349 32.500 0.066 0.000 0.716 100 K HN 0.356 nan 8.250 nan 0.000 0.446 101 R N 0.338 120.866 120.500 0.046 0.000 2.062 101 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 101 R C 2.445 178.763 176.300 0.029 0.000 1.136 101 R CA 1.486 57.605 56.100 0.031 0.000 0.948 101 R CB -0.273 30.041 30.300 0.025 0.000 0.845 101 R HN 0.200 nan 8.270 nan 0.000 0.430 102 M N 0.307 119.930 119.600 0.037 0.000 2.080 102 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 102 M C 2.330 178.646 176.300 0.026 0.000 1.068 102 M CA 2.309 57.629 55.300 0.033 0.000 1.109 102 M CB -0.659 31.968 32.600 0.045 0.000 1.342 102 M HN 0.267 nan 8.290 nan 0.000 0.405 103 T N -2.131 112.447 114.554 0.040 0.000 3.088 103 T HA 0.038 4.388 4.350 -0.000 0.000 0.259 103 T C 0.885 175.570 174.700 -0.025 0.000 1.122 103 T CA -0.160 61.938 62.100 -0.004 0.000 1.095 103 T CB -0.231 68.637 68.868 0.000 0.000 0.930 103 T HN 0.272 nan 8.240 nan 0.000 0.508 104 R N 1.410 121.912 120.500 0.002 0.000 2.570 104 R HA 0.207 4.547 4.340 -0.000 0.000 0.277 104 R C -0.356 175.935 176.300 -0.014 0.000 1.039 104 R CA 0.388 56.487 56.100 -0.002 0.000 1.065 104 R CB 0.307 30.613 30.300 0.010 0.000 0.964 104 R HN 0.478 nan 8.270 nan 0.000 0.428 105 E N 1.972 122.161 120.200 -0.018 0.000 2.378 105 E HA 0.157 4.507 4.350 -0.000 0.000 0.265 105 E C 0.148 176.740 176.600 -0.013 0.000 0.932 105 E CA -0.949 55.438 56.400 -0.020 0.000 0.795 105 E CB 1.750 31.431 29.700 -0.033 0.000 1.296 105 E HN 0.552 nan 8.360 nan 0.000 0.438 106 K N 0.169 120.561 120.400 -0.013 0.000 1.985 106 K HA -0.029 4.291 4.320 -0.000 0.000 0.210 106 K C 1.052 177.647 176.600 -0.009 0.000 1.047 106 K CA 0.931 57.212 56.287 -0.009 0.000 0.932 106 K CB -0.579 31.915 32.500 -0.010 0.000 0.716 106 K HN 0.407 nan 8.250 nan 0.000 0.439 107 A N 2.206 125.019 122.820 -0.011 0.000 2.387 107 A HA 0.071 4.391 4.320 -0.000 0.000 0.251 107 A C -0.045 177.535 177.584 -0.005 0.000 1.113 107 A CA -0.166 51.866 52.037 -0.009 0.000 0.794 107 A CB 0.038 19.032 19.000 -0.011 0.000 1.069 107 A HN 0.242 nan 8.150 nan 0.000 0.506 108 K N 0.594 120.993 120.400 -0.002 0.000 2.350 108 K HA 0.228 4.548 4.320 -0.000 0.000 0.279 108 K C -0.166 176.440 176.600 0.009 0.000 1.027 108 K CA 0.383 56.671 56.287 0.001 0.000 0.969 108 K CB 0.443 32.943 32.500 -0.001 0.000 0.954 108 K HN 0.711 nan 8.250 nan 0.000 0.474 109 Q N 0.637 120.442 119.800 0.009 0.000 2.445 109 Q HA 0.472 4.812 4.340 -0.000 0.000 0.281 109 Q C -0.675 175.340 176.000 0.024 0.000 1.101 109 Q CA -1.112 54.704 55.803 0.021 0.000 0.833 109 Q CB 2.134 30.874 28.738 0.003 0.000 1.416 109 Q HN 0.437 nan 8.270 nan 0.000 0.451 110 V N -2.146 117.798 119.914 0.051 0.000 2.975 110 V HA 0.822 4.942 4.120 -0.000 0.000 0.318 110 V C -0.191 175.937 176.094 0.057 0.000 1.077 110 V CA -0.739 61.575 62.300 0.023 0.000 1.000 110 V CB 1.477 33.300 31.823 0.000 0.000 1.066 110 V HN 0.927 nan 8.190 nan 0.000 0.452 111 T N -0.727 113.863 114.554 0.060 0.000 2.885 111 T HA 0.760 5.110 4.350 -0.000 0.000 0.285 111 T C -0.709 174.082 174.700 0.152 0.000 1.019 111 T CA -0.696 61.475 62.100 0.118 0.000 1.010 111 T CB 1.582 70.513 68.868 0.105 0.000 1.022 111 T HN 0.791 nan 8.240 nan 0.000 0.466 112 V N 2.400 122.446 119.914 0.220 0.000 2.304 112 V HA 0.650 4.770 4.120 -0.000 0.000 0.278 112 V C 0.830 177.001 176.094 0.129 0.000 1.018 112 V CA -0.228 62.190 62.300 0.196 0.000 0.814 112 V CB -0.051 31.934 31.823 0.271 0.000 1.021 112 V HN 1.596 nan 8.190 nan 0.000 0.440 113 A N 3.998 126.875 122.820 0.095 0.000 2.791 113 A HA 0.030 4.350 4.320 -0.000 0.000 0.292 113 A C 1.732 179.358 177.584 0.069 0.000 1.487 113 A CA 1.256 53.331 52.037 0.064 0.000 0.760 113 A CB -1.541 17.476 19.000 0.028 0.000 1.031 113 A HN 2.557 nan 8.150 nan 0.000 0.503 114 G N -3.642 105.212 108.800 0.090 0.000 2.184 114 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.264 114 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.264 114 G C 0.330 175.292 174.900 0.102 0.000 0.975 114 G CA 0.580 45.731 45.100 0.085 0.000 0.642 114 G HN 1.898 nan 8.290 nan 0.000 0.536 115 V N 3.020 123.020 119.914 0.144 0.000 2.370 115 V HA 0.458 4.578 4.120 -0.000 0.000 0.279 115 V C -1.499 174.739 176.094 0.239 0.000 1.029 115 V CA -1.694 60.727 62.300 0.200 0.000 0.870 115 V CB 1.704 33.684 31.823 0.263 0.000 0.984 115 V HN 0.203 nan 8.190 nan 0.000 0.451 116 P HA 0.038 nan 4.420 nan 0.000 0.266 116 P C -0.387 176.903 177.300 -0.018 0.000 1.215 116 P CA -0.042 63.102 63.100 0.073 0.000 0.763 116 P CB 0.651 32.371 31.700 0.033 0.000 0.806 117 M N 6.405 125.963 119.600 -0.070 0.000 2.162 117 M HA 0.315 4.795 4.480 -0.000 0.000 0.356 117 M C -2.396 173.669 176.300 -0.392 0.000 1.303 117 M CA -2.232 52.811 55.300 -0.428 0.000 1.116 117 M CB 0.771 33.325 32.600 -0.076 0.000 1.632 117 M HN 0.081 nan 8.290 nan 0.000 0.469 118 P HA -0.000 nan 4.420 nan 0.000 0.262 118 P C -0.054 177.133 177.300 -0.190 0.000 1.182 118 P CA -0.018 62.895 63.100 -0.312 0.000 0.761 118 P CB 0.427 31.933 31.700 -0.323 0.000 0.795 119 R N 3.394 123.826 120.500 -0.113 0.000 2.096 119 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 119 R C 1.429 177.674 176.300 -0.092 0.000 1.139 119 R CA 2.472 58.527 56.100 -0.075 0.000 0.952 119 R CB -1.314 28.953 30.300 -0.056 0.000 0.854 119 R HN 0.678 nan 8.270 nan 0.000 0.436 120 D N -0.126 120.217 120.400 -0.095 0.000 2.263 120 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 120 D C 1.450 177.686 176.300 -0.107 0.000 0.971 120 D CA 1.149 55.092 54.000 -0.095 0.000 0.867 120 D CB -0.034 40.721 40.800 -0.075 0.000 0.929 120 D HN 0.205 nan 8.370 nan 0.000 0.492 121 A N 0.148 122.905 122.820 -0.107 0.000 2.123 121 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 121 A C 1.972 179.506 177.584 -0.083 0.000 1.152 121 A CA 0.453 52.444 52.037 -0.077 0.000 0.728 121 A CB -0.384 18.579 19.000 -0.062 0.000 0.814 121 A HN 0.194 nan 8.150 nan 0.000 0.464 122 E N 0.308 120.442 120.200 -0.109 0.000 2.038 122 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 122 E C -0.785 175.602 176.600 -0.355 0.000 1.000 122 E CA 1.547 57.849 56.400 -0.163 0.000 0.803 122 E CB -0.685 28.901 29.700 -0.190 0.000 0.750 122 E HN 0.521 nan 8.360 nan 0.000 0.448 123 P HA -0.022 nan 4.420 nan 0.000 0.249 123 P C 0.337 177.177 177.300 -0.766 0.000 1.241 123 P CA 0.658 63.452 63.100 -0.511 0.000 0.781 123 P CB 0.294 31.788 31.700 -0.342 0.000 1.088 124 R N -0.926 119.238 120.500 -0.560 0.000 2.317 124 R HA 0.109 4.449 4.340 -0.000 0.000 0.208 124 R C 0.296 176.332 176.300 -0.440 0.000 0.914 124 R CA -0.139 55.684 56.100 -0.461 0.000 1.060 124 R CB -0.833 29.371 30.300 -0.160 0.000 1.015 124 R HN 0.380 nan 8.270 nan 0.000 0.498 125 H N -0.917 118.108 119.070 -0.075 0.000 4.747 125 H HA -0.203 4.353 4.556 -0.000 0.000 0.260 125 H C -0.771 174.672 175.328 0.192 0.000 0.537 125 H CA 0.348 56.383 56.048 -0.022 0.000 0.689 125 H CB -0.794 28.786 29.762 -0.304 0.000 0.913 125 H HN 0.097 nan 8.280 nan 0.000 0.306 126 L N 1.508 123.015 121.223 0.474 0.000 2.410 126 L HA 0.553 4.893 4.340 -0.000 0.000 0.270 126 L C -1.372 175.749 176.870 0.419 0.000 0.983 126 L CA -0.776 54.314 54.840 0.416 0.000 0.822 126 L CB 1.653 43.916 42.059 0.340 0.000 1.285 126 L HN 0.504 nan 8.230 nan 0.000 0.409 127 L N 6.007 127.360 121.223 0.217 0.000 2.298 127 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 127 L C -1.183 175.676 176.870 -0.018 0.000 1.013 127 L CA -0.265 54.523 54.840 -0.086 0.000 0.824 127 L CB 1.741 43.611 42.059 -0.314 0.000 1.221 127 L HN 0.400 nan 8.230 nan 0.000 0.418 128 V N 5.196 125.104 119.914 -0.010 0.000 2.294 128 V HA 0.385 4.505 4.120 -0.000 0.000 0.272 128 V C -0.042 176.050 176.094 -0.004 0.000 1.027 128 V CA -0.607 61.706 62.300 0.021 0.000 0.823 128 V CB 0.827 32.690 31.823 0.066 0.000 1.030 128 V HN 0.815 nan 8.190 nan 0.000 0.457 129 N N 3.367 122.062 118.700 -0.010 0.000 2.438 129 N HA 0.741 5.481 4.740 -0.000 0.000 0.282 129 N C -0.132 175.386 175.510 0.013 0.000 1.037 129 N CA 0.262 53.305 53.050 -0.011 0.000 0.942 129 N CB 1.610 40.083 38.487 -0.023 0.000 1.136 129 N HN 0.851 nan 8.380 nan 0.000 0.481 130 G N 0.750 109.560 108.800 0.015 0.000 2.596 130 G HA2 0.554 4.514 3.960 -0.000 0.000 0.296 130 G HA3 0.554 4.514 3.960 -0.000 0.000 0.296 130 G C -1.156 173.757 174.900 0.022 0.000 1.513 130 G CA -0.362 44.753 45.100 0.024 0.000 0.851 130 G HN 0.724 nan 8.290 nan 0.000 0.548 131 A N 0.740 123.573 122.820 0.022 0.000 2.475 131 A HA 0.605 4.925 4.320 -0.000 0.000 0.239 131 A C 1.147 178.744 177.584 0.020 0.000 1.087 131 A CA 0.904 52.953 52.037 0.020 0.000 0.779 131 A CB 0.219 19.230 19.000 0.018 0.000 1.036 131 A HN 1.755 nan 8.150 nan 0.000 0.506 132 T N 0.138 114.704 114.554 0.019 0.000 2.867 132 T HA 0.416 4.766 4.350 -0.000 0.000 0.297 132 T C 1.287 175.997 174.700 0.016 0.000 0.989 132 T CA 1.582 63.693 62.100 0.019 0.000 1.159 132 T CB -0.553 68.326 68.868 0.018 0.000 0.928 132 T HN 2.366 nan 8.240 nan 0.000 0.538 133 G N 3.300 112.110 108.800 0.016 0.000 2.132 133 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.234 133 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.234 133 G C 0.750 175.658 174.900 0.014 0.000 0.989 133 G CA 0.891 45.999 45.100 0.013 0.000 0.676 133 G HN 1.220 nan 8.290 nan 0.000 0.522 134 T N -3.366 111.199 114.554 0.018 0.000 3.037 134 T HA 0.484 4.834 4.350 -0.000 0.000 0.251 134 T C 1.993 176.705 174.700 0.020 0.000 1.079 134 T CA 1.571 63.682 62.100 0.018 0.000 1.067 134 T CB 0.756 69.637 68.868 0.022 0.000 0.948 134 T HN 2.051 nan 8.240 nan 0.000 0.496 135 G N 1.130 109.945 108.800 0.025 0.000 2.234 135 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.153 135 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.153 135 G C 0.748 175.672 174.900 0.041 0.000 1.013 135 G CA 0.114 45.232 45.100 0.030 0.000 0.712 135 G HN 0.418 nan 8.290 nan 0.000 0.491 136 K N 0.809 121.235 120.400 0.042 0.000 2.044 136 K HA -0.098 4.222 4.320 -0.000 0.000 0.210 136 K C 2.588 179.226 176.600 0.062 0.000 1.049 136 K CA 1.860 58.181 56.287 0.055 0.000 0.927 136 K CB -0.227 32.305 32.500 0.054 0.000 0.713 136 K HN 0.317 nan 8.250 nan 0.000 0.443 137 S N 0.694 116.423 115.700 0.049 0.000 2.368 137 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 137 S C 2.141 176.766 174.600 0.042 0.000 1.030 137 S CA 1.087 59.311 58.200 0.040 0.000 0.999 137 S CB -0.215 62.998 63.200 0.022 0.000 0.844 137 S HN 0.052 nan 8.310 nan 0.000 0.459 138 V N 2.075 122.019 119.914 0.050 0.000 2.261 138 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 138 V C 2.209 178.351 176.094 0.079 0.000 1.047 138 V CA 1.741 64.083 62.300 0.071 0.000 1.015 138 V CB -0.593 31.268 31.823 0.064 0.000 0.642 138 V HN 0.427 nan 8.190 nan 0.000 0.446 139 L N -0.971 120.296 121.223 0.072 0.000 2.012 139 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 139 L C 2.331 179.253 176.870 0.087 0.000 1.073 139 L CA 1.756 56.646 54.840 0.083 0.000 0.748 139 L CB -0.185 41.922 42.059 0.081 0.000 0.891 139 L HN 0.242 nan 8.230 nan 0.000 0.431 140 L N -0.281 120.994 121.223 0.086 0.000 2.093 140 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 140 L C 2.685 179.490 176.870 -0.109 0.000 1.085 140 L CA 1.586 56.474 54.840 0.081 0.000 0.755 140 L CB -0.642 41.498 42.059 0.135 0.000 0.904 140 L HN 0.190 nan 8.230 nan 0.000 0.435 141 R N -0.513 119.951 120.500 -0.060 0.000 2.075 141 R HA -0.195 4.145 4.340 -0.000 0.000 0.232 141 R C 2.300 178.538 176.300 -0.103 0.000 1.126 141 R CA 1.520 57.569 56.100 -0.086 0.000 0.963 141 R CB -0.114 30.174 30.300 -0.019 0.000 0.858 141 R HN 0.497 nan 8.270 nan 0.000 0.435 142 E N 0.356 120.578 120.200 0.037 0.000 2.072 142 E HA -0.220 4.129 4.350 -0.000 0.000 0.191 142 E C 1.976 178.595 176.600 0.032 0.000 0.985 142 E CA 1.026 57.510 56.400 0.140 0.000 0.801 142 E CB -0.136 29.666 29.700 0.171 0.000 0.750 142 E HN 0.369 nan 8.360 nan 0.000 0.452 143 L N 0.527 121.732 121.223 -0.029 0.000 1.989 143 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 143 L C 2.670 179.368 176.870 -0.286 0.000 1.071 143 L CA 1.467 56.259 54.840 -0.080 0.000 0.749 143 L CB -0.497 41.612 42.059 0.083 0.000 0.890 143 L HN 0.314 nan 8.230 nan 0.000 0.431 144 A N -0.768 121.740 122.820 -0.521 0.000 1.873 144 A HA -0.345 3.975 4.320 -0.000 0.000 0.218 144 A C 2.120 179.324 177.584 -0.633 0.000 1.193 144 A CA 2.106 53.662 52.037 -0.801 0.000 0.629 144 A CB -1.207 17.179 19.000 -1.024 0.000 0.826 144 A HN 0.587 nan 8.150 nan 0.000 0.447 145 Y N 1.860 121.675 120.300 -0.809 0.000 2.030 145 Y HA -0.295 4.255 4.550 -0.000 0.000 0.274 145 Y C 2.940 178.612 175.900 -0.380 0.000 1.153 145 Y CA 2.968 60.588 58.100 -0.801 0.000 1.115 145 Y CB -1.128 36.996 38.460 -0.560 0.000 0.969 145 Y HN 0.452 nan 8.280 nan 0.000 0.488 146 T N -2.351 111.924 114.554 -0.465 0.000 2.881 146 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 146 T C 2.154 176.651 174.700 -0.339 0.000 1.068 146 T CA 1.233 63.073 62.100 -0.433 0.000 1.131 146 T CB -1.301 67.465 68.868 -0.171 0.000 0.871 146 T HN 0.446 nan 8.240 nan 0.000 0.479 147 G N 1.316 109.899 108.800 -0.361 0.000 2.403 147 G HA2 0.047 4.007 3.960 -0.000 0.000 0.216 147 G HA3 0.047 4.007 3.960 -0.000 0.000 0.216 147 G C 1.509 176.294 174.900 -0.192 0.000 1.154 147 G CA 0.493 45.416 45.100 -0.295 0.000 0.784 147 G HN 0.526 nan 8.290 nan 0.000 0.538 148 L N 0.023 121.077 121.223 -0.282 0.000 2.093 148 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 148 L C 2.813 179.578 176.870 -0.174 0.000 1.085 148 L CA 0.368 55.093 54.840 -0.191 0.000 0.755 148 L CB -0.320 41.598 42.059 -0.234 0.000 0.904 148 L HN 0.170 nan 8.230 nan 0.000 0.435 149 L N -0.463 120.581 121.223 -0.298 0.000 2.131 149 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 149 L C 2.608 179.404 176.870 -0.123 0.000 1.092 149 L CA 1.140 55.837 54.840 -0.239 0.000 0.759 149 L CB -0.441 41.401 42.059 -0.361 0.000 0.903 149 L HN 0.250 nan 8.230 nan 0.000 0.435 150 R N 0.162 120.602 120.500 -0.101 0.000 2.299 150 R HA 0.009 4.349 4.340 -0.000 0.000 0.197 150 R C 1.125 177.425 176.300 0.000 0.000 0.971 150 R CA 0.647 56.728 56.100 -0.031 0.000 1.030 150 R CB 0.130 30.433 30.300 0.006 0.000 0.932 150 R HN 0.394 nan 8.270 nan 0.000 0.477 151 G N 1.296 110.092 108.800 -0.007 0.000 2.137 151 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.237 151 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.237 151 G C -0.711 174.222 174.900 0.056 0.000 1.002 151 G CA 0.254 45.366 45.100 0.020 0.000 0.702 151 G HN 0.403 nan 8.290 nan 0.000 0.515 152 D N 0.021 120.480 120.400 0.099 0.000 2.339 152 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 152 D C 1.097 177.507 176.300 0.183 0.000 1.115 152 D CA -0.090 54.019 54.000 0.182 0.000 0.917 152 D CB 0.809 41.847 40.800 0.397 0.000 1.192 152 D HN 0.394 nan 8.370 nan 0.000 0.428 153 R N 0.488 121.090 120.500 0.171 0.000 2.528 153 R HA 0.691 5.031 4.340 -0.000 0.000 0.271 153 R C 0.267 176.736 176.300 0.282 0.000 1.056 153 R CA -0.516 55.678 56.100 0.157 0.000 1.117 153 R CB 1.006 31.317 30.300 0.017 0.000 1.085 153 R HN 0.507 nan 8.270 nan 0.000 0.530 154 M N -1.561 118.218 119.600 0.298 0.000 2.643 154 M HA 0.388 4.868 4.480 -0.000 0.000 0.276 154 M C -1.586 174.905 176.300 0.318 0.000 1.200 154 M CA -1.149 54.368 55.300 0.362 0.000 0.863 154 M CB 1.887 34.739 32.600 0.419 0.000 1.711 154 M HN 0.188 nan 8.290 nan 0.000 0.492 155 V N 2.899 122.995 119.914 0.303 0.000 2.409 155 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 155 V C -0.558 175.623 176.094 0.145 0.000 1.020 155 V CA -0.406 61.996 62.300 0.169 0.000 0.848 155 V CB 1.735 33.677 31.823 0.197 0.000 0.990 155 V HN 0.725 nan 8.190 nan 0.000 0.430 156 I N 4.939 125.493 120.570 -0.027 0.000 2.382 156 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 156 I C -0.199 175.988 176.117 0.117 0.000 1.002 156 I CA -0.828 60.498 61.300 0.044 0.000 1.135 156 I CB 2.080 39.964 38.000 -0.193 0.000 1.288 156 I HN 0.272 nan 8.210 nan 0.000 0.448 157 V N 5.000 125.053 119.914 0.232 0.000 2.364 157 V HA 0.012 4.132 4.120 -0.000 0.000 0.252 157 V C -0.069 176.208 176.094 0.305 0.000 1.075 157 V CA 0.226 62.735 62.300 0.347 0.000 1.033 157 V CB 0.115 32.155 31.823 0.360 0.000 1.116 157 V HN 0.624 nan 8.190 nan 0.000 0.488 158 D N 7.271 127.799 120.400 0.214 0.000 2.454 158 D HA 0.382 5.022 4.640 -0.000 0.000 0.225 158 D C -2.675 173.364 176.300 -0.434 0.000 1.081 158 D CA -2.131 51.862 54.000 -0.012 0.000 0.864 158 D CB 1.790 42.657 40.800 0.112 0.000 1.040 158 D HN 0.253 nan 8.370 nan 0.000 0.517 159 P HA 0.169 nan 4.420 nan 0.000 0.271 159 P C -0.164 176.741 177.300 -0.659 0.000 1.216 159 P CA -0.195 62.205 63.100 -1.166 0.000 0.771 159 P CB 0.481 31.798 31.700 -0.639 0.000 0.864 160 N N 2.217 120.499 118.700 -0.697 0.000 2.678 160 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 160 N C 0.873 176.234 175.510 -0.248 0.000 1.136 160 N CA 1.686 54.501 53.050 -0.391 0.000 0.757 160 N CB -1.845 36.471 38.487 -0.286 0.000 1.135 160 N HN 0.892 nan 8.380 nan 0.000 0.565 161 G N 0.405 109.065 108.800 -0.233 0.000 2.283 161 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.280 161 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.280 161 G C 0.637 175.462 174.900 -0.125 0.000 1.029 161 G CA 1.301 46.334 45.100 -0.112 0.000 0.840 161 G HN 0.643 nan 8.290 nan 0.000 0.505 162 D N -0.399 119.911 120.400 -0.150 0.000 2.084 162 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 162 D C 2.602 178.785 176.300 -0.195 0.000 0.990 162 D CA 1.667 55.571 54.000 -0.160 0.000 0.826 162 D CB -0.106 40.605 40.800 -0.149 0.000 0.971 162 D HN 0.335 nan 8.370 nan 0.000 0.453 163 M N -0.208 119.329 119.600 -0.106 0.000 2.149 163 M HA -0.089 4.391 4.480 -0.000 0.000 0.261 163 M C 2.274 178.582 176.300 0.015 0.000 1.064 163 M CA 0.720 55.993 55.300 -0.045 0.000 1.102 163 M CB -0.794 31.922 32.600 0.192 0.000 1.369 163 M HN 0.256 nan 8.290 nan 0.000 0.408 164 L N 0.896 122.101 121.223 -0.029 0.000 2.017 164 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 164 L C 2.624 179.223 176.870 -0.451 0.000 1.073 164 L CA 2.419 56.909 54.840 -0.583 0.000 0.745 164 L CB -0.879 40.922 42.059 -0.431 0.000 0.894 164 L HN 0.400 nan 8.230 nan 0.000 0.432 165 S N -1.696 113.825 115.700 -0.299 0.000 2.474 165 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 165 S C 1.768 176.196 174.600 -0.287 0.000 0.997 165 S CA 0.648 58.700 58.200 -0.247 0.000 0.949 165 S CB -0.402 62.692 63.200 -0.177 0.000 0.766 165 S HN 0.488 nan 8.310 nan 0.000 0.517 166 K N 0.365 120.487 120.400 -0.463 0.000 2.190 166 K HA 0.266 4.586 4.320 -0.000 0.000 0.202 166 K C 0.615 176.886 176.600 -0.548 0.000 1.045 166 K CA 0.694 56.578 56.287 -0.673 0.000 0.976 166 K CB -0.298 31.398 32.500 -1.341 0.000 0.849 166 K HN 0.558 nan 8.250 nan 0.000 0.468 167 F N 0.780 120.713 119.950 -0.028 0.000 2.688 167 F HA 0.333 4.860 4.527 -0.000 0.000 0.310 167 F C 1.093 176.924 175.800 0.052 0.000 1.098 167 F CA -1.185 56.851 58.000 0.060 0.000 1.228 167 F CB -0.279 38.795 39.000 0.123 0.000 1.042 167 F HN -0.174 nan 8.300 nan 0.000 0.557 168 G N 1.427 110.154 108.800 -0.123 0.000 2.361 168 G HA2 0.456 4.416 3.960 -0.000 0.000 0.260 168 G HA3 0.456 4.416 3.960 -0.000 0.000 0.260 168 G C 0.101 174.940 174.900 -0.103 0.000 1.261 168 G CA -0.236 44.651 45.100 -0.355 0.000 0.897 168 G HN 0.155 nan 8.290 nan 0.000 0.499 169 R N 1.208 121.709 120.500 0.001 0.000 2.867 169 R HA 0.408 4.747 4.340 -0.000 0.000 0.227 169 R C 0.512 176.820 176.300 0.013 0.000 1.372 169 R CA -0.713 55.409 56.100 0.036 0.000 1.083 169 R CB 0.705 31.062 30.300 0.095 0.000 1.596 169 R HN 0.414 nan 8.270 nan 0.000 0.522 170 D N 0.277 120.694 120.400 0.028 0.000 2.183 170 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 170 D C 1.055 177.385 176.300 0.050 0.000 0.962 170 D CA 1.169 55.181 54.000 0.022 0.000 0.849 170 D CB 0.088 40.900 40.800 0.020 0.000 0.978 170 D HN 0.440 nan 8.370 nan 0.000 0.488 171 K N 0.434 120.882 120.400 0.080 0.000 2.486 171 K HA 0.011 4.331 4.320 -0.000 0.000 0.194 171 K C -0.154 176.544 176.600 0.164 0.000 1.033 171 K CA 0.341 56.696 56.287 0.112 0.000 1.004 171 K CB 0.163 32.730 32.500 0.113 0.000 0.798 171 K HN -0.051 nan 8.250 nan 0.000 0.495 172 D N 1.348 121.843 120.400 0.158 0.000 2.339 172 D HA 0.172 4.812 4.640 -0.000 0.000 0.245 172 D C 0.130 176.516 176.300 0.144 0.000 1.115 172 D CA -0.287 53.850 54.000 0.230 0.000 0.917 172 D CB 0.897 41.866 40.800 0.280 0.000 1.192 172 D HN -0.036 nan 8.370 nan 0.000 0.428 173 I N 1.578 122.239 120.570 0.152 0.000 2.488 173 I HA 0.378 4.548 4.170 -0.000 0.000 0.299 173 I C 0.402 176.453 176.117 -0.110 0.000 0.984 173 I CA -0.499 60.748 61.300 -0.088 0.000 1.250 173 I CB 1.034 38.832 38.000 -0.336 0.000 1.389 173 I HN 0.183 nan 8.210 nan 0.000 0.488 174 I N 5.959 126.385 120.570 -0.239 0.000 2.499 174 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 174 I C -0.833 175.077 176.117 -0.345 0.000 1.048 174 I CA -0.527 60.658 61.300 -0.191 0.000 1.062 174 I CB 2.372 40.300 38.000 -0.119 0.000 1.238 174 I HN 0.219 nan 8.210 nan 0.000 0.426 175 L N 6.612 127.604 121.223 -0.385 0.000 2.318 175 L HA 0.529 4.869 4.340 -0.000 0.000 0.277 175 L C -0.662 176.086 176.870 -0.203 0.000 1.008 175 L CA -0.298 54.169 54.840 -0.622 0.000 0.846 175 L CB 1.173 42.400 42.059 -1.386 0.000 1.220 175 L HN 0.553 nan 8.230 nan 0.000 0.423 176 N N 5.377 124.102 118.700 0.041 0.000 2.839 176 N HA 0.158 4.897 4.740 -0.000 0.000 0.258 176 N C -2.340 173.334 175.510 0.274 0.000 1.150 176 N CA -1.028 52.209 53.050 0.312 0.000 0.957 176 N CB 2.452 41.125 38.487 0.311 0.000 1.560 176 N HN 0.099 nan 8.380 nan 0.000 0.588 177 P HA -0.118 nan 4.420 nan 0.000 0.220 177 P C 0.353 177.503 177.300 -0.250 0.000 1.144 177 P CA 1.325 64.424 63.100 -0.002 0.000 0.800 177 P CB 0.133 31.768 31.700 -0.108 0.000 0.772 178 Y N -1.195 119.240 120.300 0.226 0.000 2.458 178 Y HA 0.259 4.808 4.550 -0.000 0.000 0.256 178 Y C 1.064 177.085 175.900 0.202 0.000 1.159 178 Y CA -0.582 57.668 58.100 0.250 0.000 1.261 178 Y CB -0.017 38.649 38.460 0.343 0.000 1.119 178 Y HN -0.062 nan 8.280 nan 0.000 0.524 179 D N 0.804 121.346 120.400 0.237 0.000 2.198 179 D HA 0.020 4.660 4.640 -0.000 0.000 0.245 179 D C 0.914 177.162 176.300 -0.087 0.000 1.079 179 D CA -0.056 53.924 54.000 -0.032 0.000 0.854 179 D CB 1.674 42.514 40.800 0.066 0.000 1.148 179 D HN 0.222 nan 8.370 nan 0.000 0.456 180 Q N 3.225 122.922 119.800 -0.172 0.000 2.248 180 Q HA -0.178 4.162 4.340 -0.000 0.000 0.208 180 Q C 1.225 177.171 176.000 -0.091 0.000 0.984 180 Q CA 1.513 57.245 55.803 -0.118 0.000 0.875 180 Q CB 0.253 28.910 28.738 -0.136 0.000 0.910 180 Q HN 0.403 nan 8.270 nan 0.000 0.433 181 R N -0.254 120.186 120.500 -0.101 0.000 2.313 181 R HA 0.073 4.413 4.340 -0.000 0.000 0.199 181 R C 0.677 176.920 176.300 -0.095 0.000 0.958 181 R CA 0.445 56.491 56.100 -0.090 0.000 1.047 181 R CB 0.017 30.257 30.300 -0.099 0.000 0.955 181 R HN 0.082 nan 8.270 nan 0.000 0.481 182 T N 1.233 115.737 114.554 -0.085 0.000 2.937 182 T HA 0.006 4.356 4.350 -0.000 0.000 0.316 182 T C 0.297 174.923 174.700 -0.123 0.000 1.079 182 T CA -0.077 61.955 62.100 -0.113 0.000 1.131 182 T CB 0.480 69.316 68.868 -0.053 0.000 1.000 182 T HN -0.075 nan 8.240 nan 0.000 0.549 183 K N 2.345 122.611 120.400 -0.223 0.000 2.102 183 K HA 0.434 4.754 4.320 -0.000 0.000 0.244 183 K C 0.599 177.191 176.600 -0.012 0.000 1.021 183 K CA -0.461 55.723 56.287 -0.171 0.000 0.913 183 K CB 0.508 32.735 32.500 -0.456 0.000 1.062 183 K HN 0.765 nan 8.250 nan 0.000 0.485 184 G N 0.046 108.910 108.800 0.106 0.000 2.356 184 G HA2 0.388 4.348 3.960 -0.000 0.000 0.298 184 G HA3 0.388 4.348 3.960 -0.000 0.000 0.298 184 G C -1.499 173.613 174.900 0.354 0.000 1.145 184 G CA -0.387 44.824 45.100 0.185 0.000 0.850 184 G HN 0.566 nan 8.290 nan 0.000 0.487 185 W N 1.480 122.884 121.300 0.174 0.000 3.213 185 W HA 0.621 5.281 4.660 -0.000 0.000 0.318 185 W C -0.694 176.009 176.519 0.306 0.000 1.248 185 W CA -0.744 56.758 57.345 0.262 0.000 1.187 185 W CB 2.169 31.816 29.460 0.312 0.000 1.403 185 W HN 0.808 nan 8.180 nan 0.000 0.556 186 S N 3.521 118.703 115.700 -0.864 0.000 2.537 186 S HA 0.294 4.764 4.470 -0.000 0.000 0.271 186 S C 0.070 173.734 174.600 -1.560 0.000 1.148 186 S CA -0.364 57.339 58.200 -0.828 0.000 0.868 186 S CB 0.259 63.366 63.200 -0.156 0.000 1.115 186 S HN 0.930 nan 8.310 nan 0.000 0.461 187 F N 2.727 121.947 119.950 -1.217 0.000 2.546 187 F HA 0.226 4.753 4.527 -0.000 0.000 0.298 187 F C 1.133 176.644 175.800 -0.482 0.000 1.120 187 F CA 0.549 58.131 58.000 -0.697 0.000 1.456 187 F CB -0.773 38.099 39.000 -0.213 0.000 1.088 187 F HN 0.528 nan 8.300 nan 0.000 0.572 188 F N 1.638 120.915 119.950 -1.122 0.000 2.126 188 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 188 F C 1.971 177.416 175.800 -0.591 0.000 1.096 188 F CA 1.543 59.014 58.000 -0.882 0.000 1.255 188 F CB -0.769 37.905 39.000 -0.544 0.000 0.997 188 F HN 0.001 nan 8.300 nan 0.000 0.479 189 N N 0.154 118.664 118.700 -0.317 0.000 2.503 189 N HA -0.151 4.589 4.740 -0.000 0.000 0.189 189 N C 1.281 176.649 175.510 -0.236 0.000 1.048 189 N CA 1.000 53.909 53.050 -0.236 0.000 0.905 189 N CB -0.349 38.014 38.487 -0.206 0.000 0.951 189 N HN 0.377 nan 8.380 nan 0.000 0.446 190 E N -0.237 119.748 120.200 -0.357 0.000 2.431 190 E HA 0.106 4.456 4.350 -0.000 0.000 0.200 190 E C 0.314 176.622 176.600 -0.487 0.000 0.995 190 E CA -0.126 56.000 56.400 -0.457 0.000 0.915 190 E CB 0.557 29.762 29.700 -0.824 0.000 0.930 190 E HN 0.219 nan 8.360 nan 0.000 0.496 191 I N 2.243 122.509 120.570 -0.506 0.000 2.587 191 I HA 0.011 4.180 4.170 -0.000 0.000 0.284 191 I C 1.454 177.357 176.117 -0.358 0.000 1.134 191 I CA 0.641 61.610 61.300 -0.552 0.000 1.410 191 I CB 0.296 37.715 38.000 -0.967 0.000 1.392 191 I HN -0.010 nan 8.210 nan 0.000 0.545 192 R N 3.839 124.162 120.500 -0.295 0.000 2.573 192 R HA 0.264 4.604 4.340 -0.000 0.000 0.224 192 R C 0.021 176.228 176.300 -0.154 0.000 0.904 192 R CA -0.122 55.871 56.100 -0.179 0.000 0.995 192 R CB 0.735 30.968 30.300 -0.113 0.000 1.430 192 R HN 0.606 nan 8.270 nan 0.000 0.631 193 N N 0.249 118.798 118.700 -0.251 0.000 2.697 193 N HA 0.050 4.790 4.740 -0.000 0.000 0.272 193 N C -0.251 175.157 175.510 -0.170 0.000 1.381 193 N CA -0.421 52.531 53.050 -0.163 0.000 0.797 193 N CB 1.633 40.026 38.487 -0.157 0.000 1.523 193 N HN -0.190 nan 8.380 nan 0.000 0.518 194 D N -0.157 120.275 120.400 0.054 0.000 2.117 194 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 194 D C 1.698 178.120 176.300 0.204 0.000 0.982 194 D CA 1.426 55.555 54.000 0.215 0.000 0.828 194 D CB -0.046 40.906 40.800 0.254 0.000 0.967 194 D HN 0.650 nan 8.370 nan 0.000 0.464 195 Y N -0.796 119.578 120.300 0.124 0.000 2.651 195 Y HA 0.045 4.595 4.550 -0.000 0.000 0.296 195 Y C 1.223 177.173 175.900 0.083 0.000 1.150 195 Y CA 0.623 58.785 58.100 0.102 0.000 1.348 195 Y CB -0.460 38.034 38.460 0.057 0.000 0.983 195 Y HN -0.129 nan 8.280 nan 0.000 0.555 196 D N 0.173 120.303 120.400 -0.450 0.000 2.269 196 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 196 D C 1.340 177.624 176.300 -0.027 0.000 0.963 196 D CA 0.970 54.787 54.000 -0.306 0.000 0.864 196 D CB -0.438 40.156 40.800 -0.344 0.000 0.936 196 D HN 0.555 nan 8.370 nan 0.000 0.505 197 W N 1.345 122.704 121.300 0.098 0.000 2.353 197 W HA -0.203 4.457 4.660 -0.000 0.000 0.319 197 W C 2.719 179.325 176.519 0.145 0.000 1.207 197 W CA 0.736 58.177 57.345 0.160 0.000 1.291 197 W CB -0.553 28.976 29.460 0.116 0.000 1.159 197 W HN -0.040 nan 8.180 nan 0.000 0.478 198 Q N 1.141 121.140 119.800 0.330 0.000 2.084 198 Q HA -0.218 4.121 4.340 -0.000 0.000 0.202 198 Q C 2.191 178.251 176.000 0.101 0.000 0.978 198 Q CA 2.015 57.934 55.803 0.192 0.000 0.844 198 Q CB -0.554 28.274 28.738 0.150 0.000 0.898 198 Q HN 0.214 nan 8.270 nan 0.000 0.426 199 R N -1.231 119.291 120.500 0.037 0.000 2.113 199 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 199 R C 1.393 177.508 176.300 -0.309 0.000 1.142 199 R CA 2.047 58.043 56.100 -0.173 0.000 0.953 199 R CB -0.333 29.777 30.300 -0.317 0.000 0.860 199 R HN 0.474 nan 8.270 nan 0.000 0.438 200 Y N -1.242 119.131 120.300 0.121 0.000 2.462 200 Y HA 0.252 4.802 4.550 -0.000 0.000 0.261 200 Y C 1.997 177.929 175.900 0.054 0.000 1.146 200 Y CA 0.234 58.421 58.100 0.145 0.000 1.283 200 Y CB 0.397 39.003 38.460 0.243 0.000 1.090 200 Y HN 0.198 nan 8.280 nan 0.000 0.526 201 A N -0.302 122.601 122.820 0.137 0.000 2.014 201 A HA -0.077 4.242 4.320 -0.000 0.000 0.218 201 A C 1.858 179.440 177.584 -0.004 0.000 1.163 201 A CA 0.986 53.023 52.037 -0.001 0.000 0.652 201 A CB -0.489 18.555 19.000 0.074 0.000 0.808 201 A HN 0.337 nan 8.150 nan 0.000 0.449 202 L N -0.086 121.153 121.223 0.027 0.000 2.376 202 L HA 0.014 4.353 4.340 -0.000 0.000 0.219 202 L C 2.249 179.139 176.870 0.032 0.000 1.133 202 L CA 1.743 56.593 54.840 0.017 0.000 0.816 202 L CB -0.695 41.367 42.059 0.003 0.000 0.933 202 L HN 0.338 nan 8.230 nan 0.000 0.449 203 S N -1.969 113.773 115.700 0.070 0.000 2.441 203 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 203 S C 1.953 176.607 174.600 0.091 0.000 1.043 203 S CA 0.594 58.869 58.200 0.125 0.000 0.948 203 S CB 0.107 63.473 63.200 0.276 0.000 0.810 203 S HN 0.189 nan 8.310 nan 0.000 0.504 204 V N 1.627 121.546 119.914 0.008 0.000 2.358 204 V HA 0.005 4.125 4.120 -0.000 0.000 0.246 204 V C 0.758 176.815 176.094 -0.062 0.000 1.047 204 V CA 1.037 63.271 62.300 -0.109 0.000 1.035 204 V CB -0.350 31.186 31.823 -0.477 0.000 0.658 204 V HN 0.282 nan 8.190 nan 0.000 0.452 205 V N 3.327 123.210 119.914 -0.052 0.000 2.239 205 V HA 0.310 4.430 4.120 -0.000 0.000 0.267 205 V C -2.062 174.033 176.094 0.001 0.000 1.056 205 V CA -1.721 60.570 62.300 -0.015 0.000 0.830 205 V CB 0.837 32.655 31.823 -0.008 0.000 1.090 205 V HN 0.317 nan 8.190 nan 0.000 0.459 206 P HA 0.115 nan 4.420 nan 0.000 0.272 206 P C -0.133 177.154 177.300 -0.022 0.000 1.254 206 P CA -0.426 62.668 63.100 -0.009 0.000 0.795 206 P CB 0.787 32.473 31.700 -0.024 0.000 1.022 207 R N -0.213 120.262 120.500 -0.041 0.000 2.679 207 R HA 0.238 4.578 4.340 -0.000 0.000 0.268 207 R C 1.036 177.293 176.300 -0.071 0.000 1.044 207 R CA 0.242 56.309 56.100 -0.054 0.000 1.105 207 R CB -0.675 29.588 30.300 -0.062 0.000 0.989 207 R HN 0.626 nan 8.270 nan 0.000 0.447 208 G N 0.984 109.745 108.800 -0.064 0.000 2.527 208 G HA2 0.011 3.971 3.960 -0.000 0.000 0.248 208 G HA3 0.011 3.971 3.960 -0.000 0.000 0.248 208 G C 0.832 175.675 174.900 -0.094 0.000 1.231 208 G CA -0.390 44.670 45.100 -0.066 0.000 0.838 208 G HN 0.634 nan 8.290 nan 0.000 0.570 209 K N -0.274 120.076 120.400 -0.083 0.000 2.026 209 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 209 K C 1.465 178.011 176.600 -0.089 0.000 1.048 209 K CA 1.589 57.823 56.287 -0.088 0.000 0.929 209 K CB -0.161 32.303 32.500 -0.061 0.000 0.713 209 K HN 0.628 nan 8.250 nan 0.000 0.439 210 T N -1.952 112.536 114.554 -0.110 0.000 2.950 210 T HA 0.182 4.532 4.350 -0.000 0.000 0.288 210 T C 0.479 175.072 174.700 -0.178 0.000 1.035 210 T CA -0.920 61.102 62.100 -0.130 0.000 1.028 210 T CB 1.491 70.274 68.868 -0.142 0.000 1.109 210 T HN -0.037 nan 8.240 nan 0.000 0.514 211 D N 0.302 120.604 120.400 -0.165 0.000 2.133 211 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 211 D C 1.693 177.819 176.300 -0.291 0.000 0.997 211 D CA 1.492 55.383 54.000 -0.182 0.000 0.840 211 D CB -0.043 40.675 40.800 -0.138 0.000 0.947 211 D HN 0.862 nan 8.370 nan 0.000 0.452 212 E N 0.231 120.203 120.200 -0.380 0.000 2.106 212 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 212 E C 1.976 177.919 176.600 -1.094 0.000 0.984 212 E CA 0.852 56.859 56.400 -0.656 0.000 0.806 212 E CB 0.055 29.384 29.700 -0.619 0.000 0.750 212 E HN 0.168 nan 8.360 nan 0.000 0.458 213 A N 0.961 123.307 122.820 -0.791 0.000 1.969 213 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 213 A C 1.992 179.428 177.584 -0.246 0.000 1.169 213 A CA 1.694 53.413 52.037 -0.529 0.000 0.635 213 A CB -0.419 18.475 19.000 -0.176 0.000 0.810 213 A HN 0.263 nan 8.150 nan 0.000 0.445 214 E N 0.407 120.456 120.200 -0.251 0.000 2.152 214 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 214 E C 1.875 178.357 176.600 -0.196 0.000 0.983 214 E CA 1.491 57.796 56.400 -0.159 0.000 0.818 214 E CB -0.310 29.305 29.700 -0.142 0.000 0.758 214 E HN 0.698 nan 8.360 nan 0.000 0.467 215 E N -0.683 119.323 120.200 -0.323 0.000 2.077 215 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 215 E C 1.481 177.861 176.600 -0.367 0.000 0.989 215 E CA 1.348 57.511 56.400 -0.394 0.000 0.800 215 E CB -0.224 29.235 29.700 -0.402 0.000 0.746 215 E HN 0.376 nan 8.360 nan 0.000 0.452 216 W N 0.533 121.748 121.300 -0.142 0.000 2.355 216 W HA -0.056 4.604 4.660 -0.000 0.000 0.309 216 W C 2.541 179.066 176.519 0.011 0.000 1.206 216 W CA 0.911 58.268 57.345 0.020 0.000 1.284 216 W CB -1.378 28.140 29.460 0.096 0.000 1.145 216 W HN 0.215 nan 8.180 nan 0.000 0.502 217 A N 1.149 124.093 122.820 0.207 0.000 1.903 217 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 217 A C 2.278 179.907 177.584 0.074 0.000 1.191 217 A CA 3.561 55.671 52.037 0.121 0.000 0.638 217 A CB -1.374 17.657 19.000 0.052 0.000 0.823 217 A HN 0.315 nan 8.150 nan 0.000 0.451 218 S N -1.241 114.444 115.700 -0.025 0.000 2.383 218 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 218 S C 1.930 176.584 174.600 0.090 0.000 1.030 218 S CA 1.546 59.724 58.200 -0.037 0.000 1.002 218 S CB -0.989 62.117 63.200 -0.156 0.000 0.829 218 S HN 0.670 nan 8.310 nan 0.000 0.467 219 Y N 1.956 122.374 120.300 0.196 0.000 2.200 219 Y HA 0.017 4.567 4.550 -0.000 0.000 0.290 219 Y C 3.078 179.132 175.900 0.257 0.000 1.137 219 Y CA 0.331 58.605 58.100 0.289 0.000 1.163 219 Y CB -0.828 37.839 38.460 0.346 0.000 0.988 219 Y HN 0.474 nan 8.280 nan 0.000 0.518 220 G N 0.314 109.304 108.800 0.318 0.000 2.418 220 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 220 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 220 G C 1.640 176.624 174.900 0.140 0.000 1.158 220 G CA 0.688 45.898 45.100 0.183 0.000 0.771 220 G HN 0.301 nan 8.290 nan 0.000 0.545 221 R N -0.473 120.104 120.500 0.128 0.000 2.092 221 R HA 0.028 4.368 4.340 -0.000 0.000 0.231 221 R C 2.458 178.831 176.300 0.123 0.000 1.119 221 R CA 1.024 57.179 56.100 0.091 0.000 0.970 221 R CB -0.589 29.752 30.300 0.069 0.000 0.864 221 R HN 0.399 nan 8.270 nan 0.000 0.440 222 L N 1.320 122.651 121.223 0.180 0.000 1.989 222 L HA -0.158 4.181 4.340 -0.000 0.000 0.211 222 L C 2.117 179.114 176.870 0.210 0.000 1.071 222 L CA 1.589 56.537 54.840 0.180 0.000 0.749 222 L CB -0.701 41.483 42.059 0.208 0.000 0.890 222 L HN 0.107 nan 8.230 nan 0.000 0.431 223 L N -0.925 120.478 121.223 0.300 0.000 2.046 223 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 223 L C 2.312 179.237 176.870 0.092 0.000 1.077 223 L CA 1.962 56.917 54.840 0.193 0.000 0.747 223 L CB -0.905 41.163 42.059 0.017 0.000 0.896 223 L HN 0.454 nan 8.230 nan 0.000 0.432 224 L N 0.355 121.625 121.223 0.079 0.000 1.976 224 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 224 L C 2.862 179.780 176.870 0.079 0.000 1.071 224 L CA 2.347 57.221 54.840 0.056 0.000 0.746 224 L CB -0.875 41.178 42.059 -0.010 0.000 0.890 224 L HN 0.520 nan 8.230 nan 0.000 0.432 225 R N -1.061 119.490 120.500 0.085 0.000 2.096 225 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 225 R C 1.810 178.033 176.300 -0.128 0.000 1.127 225 R CA 1.575 57.723 56.100 0.080 0.000 0.968 225 R CB -0.795 29.593 30.300 0.147 0.000 0.861 225 R HN 0.370 nan 8.270 nan 0.000 0.440 226 E N 0.595 120.743 120.200 -0.087 0.000 2.107 226 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 226 E C 2.020 178.506 176.600 -0.190 0.000 0.982 226 E CA 1.665 57.964 56.400 -0.169 0.000 0.809 226 E CB -0.278 29.357 29.700 -0.107 0.000 0.756 226 E HN 0.420 nan 8.360 nan 0.000 0.459 227 T N 1.192 115.707 114.554 -0.064 0.000 2.777 227 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 227 T C 1.925 176.706 174.700 0.135 0.000 1.040 227 T CA 1.342 63.480 62.100 0.063 0.000 1.141 227 T CB -0.117 68.863 68.868 0.187 0.000 0.868 227 T HN 0.239 nan 8.240 nan 0.000 0.444 228 A N 1.459 124.328 122.820 0.082 0.000 1.930 228 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 228 A C 2.233 179.712 177.584 -0.176 0.000 1.175 228 A CA 1.521 53.659 52.037 0.168 0.000 0.627 228 A CB -0.453 18.683 19.000 0.226 0.000 0.815 228 A HN 0.405 nan 8.150 nan 0.000 0.443 229 K N -0.104 119.855 120.400 -0.735 0.000 2.032 229 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 229 K C 2.212 178.605 176.600 -0.346 0.000 1.048 229 K CA 1.899 57.572 56.287 -1.023 0.000 0.927 229 K CB -0.171 31.725 32.500 -1.007 0.000 0.712 229 K HN 0.473 nan 8.250 nan 0.000 0.441 230 K N 0.752 121.013 120.400 -0.232 0.000 2.025 230 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 230 K C 2.183 178.826 176.600 0.072 0.000 1.049 230 K CA 1.033 57.239 56.287 -0.136 0.000 0.933 230 K CB -0.078 32.208 32.500 -0.358 0.000 0.714 230 K HN 0.105 nan 8.250 nan 0.000 0.438 231 L N 0.646 122.005 121.223 0.226 0.000 2.042 231 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 231 L C 2.653 179.596 176.870 0.122 0.000 1.076 231 L CA 1.436 56.433 54.840 0.262 0.000 0.749 231 L CB -0.596 41.659 42.059 0.326 0.000 0.893 231 L HN 0.340 nan 8.230 nan 0.000 0.432 232 A N -0.378 122.527 122.820 0.141 0.000 1.902 232 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 232 A C 2.291 179.926 177.584 0.085 0.000 1.181 232 A CA 1.273 53.378 52.037 0.114 0.000 0.623 232 A CB -0.648 18.593 19.000 0.401 0.000 0.818 232 A HN 0.344 nan 8.150 nan 0.000 0.443 233 L N 0.343 121.610 121.223 0.072 0.000 1.989 233 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 233 L C 2.330 179.223 176.870 0.039 0.000 1.071 233 L CA 2.400 57.267 54.840 0.045 0.000 0.749 233 L CB -0.506 41.554 42.059 0.001 0.000 0.890 233 L HN 0.698 nan 8.230 nan 0.000 0.431 234 I N -2.525 118.076 120.570 0.051 0.000 3.528 234 I HA 0.135 4.305 4.170 -0.000 0.000 0.298 234 I C 1.173 177.316 176.117 0.043 0.000 1.281 234 I CA 0.705 62.038 61.300 0.056 0.000 1.269 234 I CB -0.948 37.111 38.000 0.099 0.000 1.013 234 I HN 0.424 nan 8.210 nan 0.000 0.512 235 G N 2.234 111.049 108.800 0.025 0.000 2.153 235 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 235 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 235 G C 0.407 175.290 174.900 -0.029 0.000 0.994 235 G CA 0.508 45.606 45.100 -0.004 0.000 0.698 235 G HN 0.799 nan 8.290 nan 0.000 0.521 236 T N -1.570 112.969 114.554 -0.026 0.000 3.514 236 T HA 0.603 4.952 4.350 -0.000 0.000 0.259 236 T C -1.952 172.662 174.700 -0.142 0.000 1.466 236 T CA -1.114 60.954 62.100 -0.052 0.000 1.562 236 T CB 1.938 70.814 68.868 0.014 0.000 0.924 236 T HN 0.174 nan 8.240 nan 0.000 0.678 237 P HA 0.177 nan 4.420 nan 0.000 0.238 237 P C -0.197 176.630 177.300 -0.788 0.000 1.729 237 P CA 0.136 62.660 63.100 -0.959 0.000 1.055 237 P CB -0.222 30.831 31.700 -1.078 0.000 1.980 238 S N 2.277 117.818 115.700 -0.264 0.000 2.437 238 S HA 0.343 4.813 4.470 -0.000 0.000 0.305 238 S C 1.369 176.119 174.600 0.251 0.000 1.109 238 S CA -0.707 57.489 58.200 -0.007 0.000 1.099 238 S CB 0.557 63.768 63.200 0.018 0.000 1.004 238 S HN -0.051 nan 8.310 nan 0.000 0.475 239 M N 3.978 123.763 119.600 0.308 0.000 2.229 239 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 239 M C 1.990 178.473 176.300 0.306 0.000 1.063 239 M CA 1.319 56.849 55.300 0.384 0.000 1.114 239 M CB -1.211 31.582 32.600 0.323 0.000 1.387 239 M HN 0.724 nan 8.290 nan 0.000 0.420 240 R N 0.070 120.695 120.500 0.207 0.000 2.073 240 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 240 R C 2.178 178.609 176.300 0.220 0.000 1.134 240 R CA 1.225 57.434 56.100 0.181 0.000 0.952 240 R CB 0.033 30.385 30.300 0.087 0.000 0.850 240 R HN 0.240 nan 8.270 nan 0.000 0.433 241 E N 0.395 120.698 120.200 0.173 0.000 2.072 241 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 241 E C 1.915 178.678 176.600 0.270 0.000 0.985 241 E CA 0.815 57.307 56.400 0.153 0.000 0.801 241 E CB -0.267 29.514 29.700 0.135 0.000 0.750 241 E HN 0.163 nan 8.360 nan 0.000 0.452 242 L N 0.301 121.734 121.223 0.349 0.000 2.012 242 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 242 L C 2.260 179.317 176.870 0.311 0.000 1.073 242 L CA 1.629 56.699 54.840 0.384 0.000 0.748 242 L CB -0.804 41.524 42.059 0.448 0.000 0.891 242 L HN 0.085 nan 8.230 nan 0.000 0.431 243 F N -0.721 119.332 119.950 0.172 0.000 2.186 243 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 243 F C 2.583 178.428 175.800 0.075 0.000 1.090 243 F CA 1.826 59.894 58.000 0.114 0.000 1.307 243 F CB -0.273 38.793 39.000 0.111 0.000 1.019 243 F HN 0.459 nan 8.300 nan 0.000 0.489 244 H N -1.273 117.815 119.070 0.029 0.000 2.299 244 H HA -0.201 4.354 4.556 -0.000 0.000 0.302 244 H C 2.096 177.284 175.328 -0.233 0.000 1.078 244 H CA 2.417 58.359 56.048 -0.176 0.000 1.323 244 H CB -1.023 28.586 29.762 -0.254 0.000 1.381 244 H HN 0.413 nan 8.280 nan 0.000 0.498 245 W N 0.607 121.662 121.300 -0.408 0.000 2.355 245 W HA -0.181 4.479 4.660 -0.000 0.000 0.309 245 W C 2.735 179.059 176.519 -0.325 0.000 1.206 245 W CA 1.807 58.895 57.345 -0.429 0.000 1.284 245 W CB -0.309 28.985 29.460 -0.277 0.000 1.145 245 W HN 0.424 nan 8.180 nan 0.000 0.502 246 T N -4.152 110.397 114.554 -0.008 0.000 3.055 246 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 246 T C 1.305 175.850 174.700 -0.258 0.000 1.111 246 T CA 1.500 63.534 62.100 -0.109 0.000 1.118 246 T CB -0.380 68.455 68.868 -0.055 0.000 0.909 246 T HN 0.191 nan 8.240 nan 0.000 0.501 247 T N -2.314 111.993 114.554 -0.412 0.000 3.046 247 T HA 0.407 4.756 4.350 -0.000 0.000 0.270 247 T C 1.309 175.780 174.700 -0.382 0.000 0.920 247 T CA -0.402 61.423 62.100 -0.458 0.000 0.874 247 T CB 0.163 68.609 68.868 -0.704 0.000 1.214 247 T HN 0.239 nan 8.240 nan 0.000 0.536 248 I N 1.628 121.964 120.570 -0.391 0.000 3.443 248 I HA 0.484 4.654 4.170 -0.000 0.000 0.277 248 I C 1.631 177.592 176.117 -0.260 0.000 1.169 248 I CA 0.026 61.173 61.300 -0.254 0.000 1.419 248 I CB -1.197 36.741 38.000 -0.103 0.000 1.331 248 I HN 0.328 nan 8.210 nan 0.000 0.458 249 A N 2.588 125.106 122.820 -0.503 0.000 2.565 249 A HA 0.195 4.515 4.320 -0.000 0.000 0.237 249 A C 0.964 178.496 177.584 -0.086 0.000 1.053 249 A CA 0.425 52.254 52.037 -0.347 0.000 0.755 249 A CB -0.517 18.271 19.000 -0.353 0.000 0.980 249 A HN 0.541 nan 8.150 nan 0.000 0.506 250 T N 0.279 114.832 114.554 -0.003 0.000 2.903 250 T HA 0.150 4.499 4.350 -0.000 0.000 0.314 250 T C 0.882 175.657 174.700 0.126 0.000 1.078 250 T CA 0.266 62.404 62.100 0.063 0.000 1.114 250 T CB 0.045 68.953 68.868 0.066 0.000 0.987 250 T HN 0.447 nan 8.240 nan 0.000 0.548 251 F N 1.843 121.759 119.950 -0.056 0.000 2.063 251 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 251 F C 1.965 177.753 175.800 -0.020 0.000 1.105 251 F CA 2.449 60.411 58.000 -0.062 0.000 1.215 251 F CB -0.705 38.250 39.000 -0.075 0.000 0.972 251 F HN 0.681 nan 8.300 nan 0.000 0.483 252 D N -0.186 120.312 120.400 0.162 0.000 2.084 252 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 252 D C 1.997 178.340 176.300 0.071 0.000 0.990 252 D CA 1.619 55.672 54.000 0.088 0.000 0.826 252 D CB -0.717 40.139 40.800 0.093 0.000 0.971 252 D HN 0.270 nan 8.370 nan 0.000 0.453 253 D N 0.416 120.893 120.400 0.127 0.000 2.116 253 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 253 D C 2.255 178.694 176.300 0.232 0.000 0.998 253 D CA 0.389 54.529 54.000 0.233 0.000 0.836 253 D CB -0.361 40.633 40.800 0.324 0.000 0.951 253 D HN 0.186 nan 8.370 nan 0.000 0.449 254 L N 0.798 122.118 121.223 0.161 0.000 1.989 254 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 254 L C 2.668 179.475 176.870 -0.105 0.000 1.071 254 L CA 1.314 56.178 54.840 0.040 0.000 0.749 254 L CB -0.064 41.947 42.059 -0.079 0.000 0.890 254 L HN -0.034 nan 8.230 nan 0.000 0.431 255 R N -0.371 120.045 120.500 -0.141 0.000 2.103 255 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 255 R C 2.107 178.342 176.300 -0.109 0.000 1.142 255 R CA 1.462 57.479 56.100 -0.138 0.000 0.960 255 R CB -0.967 29.266 30.300 -0.112 0.000 0.858 255 R HN 0.563 nan 8.270 nan 0.000 0.439 256 G N 0.730 109.494 108.800 -0.061 0.000 2.459 256 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 256 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 256 G C 1.234 176.060 174.900 -0.124 0.000 1.183 256 G CA 0.538 45.608 45.100 -0.050 0.000 0.776 256 G HN 0.309 nan 8.290 nan 0.000 0.552 257 F N 1.252 120.962 119.950 -0.401 0.000 2.250 257 F HA 0.057 4.584 4.527 -0.000 0.000 0.301 257 F C 2.274 177.806 175.800 -0.446 0.000 1.077 257 F CA 0.846 58.458 58.000 -0.646 0.000 1.348 257 F CB -0.107 37.968 39.000 -1.542 0.000 1.040 257 F HN 0.052 nan 8.300 nan 0.000 0.509 258 L N -0.161 120.780 121.223 -0.470 0.000 2.240 258 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 258 L C 0.788 177.450 176.870 -0.347 0.000 1.106 258 L CA 0.309 54.886 54.840 -0.439 0.000 0.793 258 L CB -0.681 41.246 42.059 -0.219 0.000 0.927 258 L HN -0.040 nan 8.230 nan 0.000 0.446 259 E N 0.469 120.512 120.200 -0.263 0.000 2.694 259 E HA 0.003 4.353 4.350 -0.000 0.000 0.250 259 E C 1.028 177.498 176.600 -0.218 0.000 0.963 259 E CA 0.697 56.984 56.400 -0.189 0.000 0.949 259 E CB 0.147 29.766 29.700 -0.135 0.000 0.911 259 E HN 0.408 nan 8.360 nan 0.000 0.500 260 G N 2.814 111.510 108.800 -0.174 0.000 2.238 260 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 260 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 260 G C 0.466 175.259 174.900 -0.178 0.000 0.996 260 G CA 0.119 45.120 45.100 -0.165 0.000 0.632 260 G HN 0.676 nan 8.290 nan 0.000 0.503 261 T N -0.760 113.664 114.554 -0.216 0.000 2.912 261 T HA 0.700 5.050 4.350 -0.000 0.000 0.280 261 T C 1.672 176.280 174.700 -0.153 0.000 0.989 261 T CA -0.185 61.792 62.100 -0.204 0.000 0.995 261 T CB 1.616 70.325 68.868 -0.266 0.000 1.077 261 T HN 0.261 nan 8.240 nan 0.000 0.531 262 L N 0.496 121.639 121.223 -0.133 0.000 2.261 262 L HA 0.013 4.353 4.340 -0.000 0.000 0.216 262 L C 2.799 179.589 176.870 -0.134 0.000 1.114 262 L CA 1.265 56.037 54.840 -0.113 0.000 0.777 262 L CB -0.740 41.263 42.059 -0.093 0.000 0.910 262 L HN 0.917 nan 8.230 nan 0.000 0.440 263 A N -0.704 122.036 122.820 -0.132 0.000 2.238 263 A HA -0.096 4.223 4.320 -0.000 0.000 0.208 263 A C 2.112 179.638 177.584 -0.096 0.000 1.177 263 A CA 0.428 52.389 52.037 -0.127 0.000 0.804 263 A CB -0.318 18.690 19.000 0.014 0.000 0.823 263 A HN 0.449 nan 8.150 nan 0.000 0.482 264 E N 0.178 120.308 120.200 -0.117 0.000 2.021 264 E HA -0.187 4.163 4.350 -0.000 0.000 0.200 264 E C 1.815 178.367 176.600 -0.080 0.000 1.015 264 E CA 1.859 58.197 56.400 -0.102 0.000 0.824 264 E CB -0.092 29.542 29.700 -0.110 0.000 0.762 264 E HN 0.515 nan 8.360 nan 0.000 0.454 265 S N 0.092 115.736 115.700 -0.094 0.000 2.458 265 S HA 0.075 4.545 4.470 -0.000 0.000 0.223 265 S C 1.929 176.461 174.600 -0.113 0.000 1.019 265 S CA 0.053 58.204 58.200 -0.082 0.000 0.937 265 S CB -0.035 63.122 63.200 -0.072 0.000 0.788 265 S HN 0.240 nan 8.310 nan 0.000 0.511 266 L N 0.105 121.209 121.223 -0.198 0.000 2.089 266 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 266 L C 0.947 177.595 176.870 -0.370 0.000 1.079 266 L CA 1.480 56.119 54.840 -0.334 0.000 0.758 266 L CB -0.457 41.289 42.059 -0.522 0.000 0.891 266 L HN 0.325 nan 8.230 nan 0.000 0.433 267 F N -0.247 119.635 119.950 -0.114 0.000 2.798 267 F HA 0.446 4.973 4.527 -0.000 0.000 0.291 267 F C 0.566 176.296 175.800 -0.117 0.000 1.174 267 F CA -0.542 57.372 58.000 -0.143 0.000 1.392 267 F CB 0.202 39.087 39.000 -0.192 0.000 0.966 267 F HN -0.022 nan 8.300 nan 0.000 0.509 268 A N -0.895 121.955 122.820 0.052 0.000 2.612 268 A HA 0.657 4.976 4.320 -0.000 0.000 0.293 268 A C 0.502 178.095 177.584 0.014 0.000 1.075 268 A CA -0.012 52.047 52.037 0.036 0.000 0.680 268 A CB 0.978 19.987 19.000 0.016 0.000 1.279 268 A HN 0.473 nan 8.150 nan 0.000 0.411 269 G N -0.591 108.223 108.800 0.022 0.000 2.211 269 G HA2 0.284 4.244 3.960 -0.000 0.000 0.201 269 G HA3 0.284 4.244 3.960 -0.000 0.000 0.201 269 G C 0.351 175.261 174.900 0.017 0.000 0.997 269 G CA 0.773 45.881 45.100 0.013 0.000 0.652 269 G HN 2.672 nan 8.290 nan 0.000 0.500 270 S N -1.494 114.222 115.700 0.028 0.000 2.611 270 S HA 0.583 5.053 4.470 -0.000 0.000 0.268 270 S C 0.523 175.148 174.600 0.042 0.000 1.156 270 S CA 0.146 58.364 58.200 0.029 0.000 0.817 270 S CB 0.837 64.051 63.200 0.022 0.000 1.122 270 S HN -0.016 nan 8.310 nan 0.000 0.466 271 N N 0.900 119.622 118.700 0.038 0.000 2.142 271 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 271 N C 1.484 177.025 175.510 0.052 0.000 1.023 271 N CA 1.671 54.746 53.050 0.042 0.000 0.852 271 N CB -0.570 37.937 38.487 0.032 0.000 0.998 271 N HN 0.789 nan 8.380 nan 0.000 0.424 272 E N 1.533 121.761 120.200 0.047 0.000 2.070 272 E HA -0.116 4.233 4.350 -0.000 0.000 0.197 272 E C 1.824 178.445 176.600 0.035 0.000 1.004 272 E CA 1.576 58.007 56.400 0.051 0.000 0.805 272 E CB -0.444 29.285 29.700 0.048 0.000 0.744 272 E HN 0.304 nan 8.360 nan 0.000 0.451 273 A N -0.136 122.704 122.820 0.034 0.000 1.892 273 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 273 A C 2.493 180.143 177.584 0.110 0.000 1.188 273 A CA 2.287 54.351 52.037 0.044 0.000 0.631 273 A CB -0.968 18.057 19.000 0.042 0.000 0.822 273 A HN 0.318 nan 8.150 nan 0.000 0.447 274 S N -0.701 115.076 115.700 0.127 0.000 2.368 274 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 274 S C 2.013 176.724 174.600 0.185 0.000 1.030 274 S CA 1.536 59.869 58.200 0.222 0.000 0.999 274 S CB -0.249 63.075 63.200 0.207 0.000 0.844 274 S HN 0.673 nan 8.310 nan 0.000 0.459 275 K N 1.481 121.941 120.400 0.099 0.000 2.026 275 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 275 K C 2.262 178.902 176.600 0.067 0.000 1.048 275 K CA 1.260 57.597 56.287 0.083 0.000 0.929 275 K CB -0.392 32.162 32.500 0.091 0.000 0.713 275 K HN 0.288 nan 8.250 nan 0.000 0.439 276 A N 1.921 124.726 122.820 -0.025 0.000 1.883 276 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 276 A C 2.178 179.685 177.584 -0.128 0.000 1.186 276 A CA 1.423 53.289 52.037 -0.284 0.000 0.624 276 A CB -0.733 17.811 19.000 -0.760 0.000 0.822 276 A HN 0.442 nan 8.150 nan 0.000 0.444 277 L N -0.612 120.520 121.223 -0.150 0.000 2.046 277 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 277 L C 2.636 179.369 176.870 -0.228 0.000 1.077 277 L CA 2.254 56.742 54.840 -0.588 0.000 0.747 277 L CB -0.720 40.949 42.059 -0.649 0.000 0.896 277 L HN 0.415 nan 8.230 nan 0.000 0.432 278 T N -0.739 113.853 114.554 0.064 0.000 2.759 278 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 278 T C 2.026 176.707 174.700 -0.031 0.000 1.042 278 T CA 1.617 63.731 62.100 0.024 0.000 1.140 278 T CB -0.066 68.813 68.868 0.018 0.000 0.864 278 T HN 0.375 nan 8.240 nan 0.000 0.455 279 S N 1.315 117.045 115.700 0.049 0.000 2.356 279 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 279 S C 2.606 177.278 174.600 0.120 0.000 1.032 279 S CA 0.969 59.212 58.200 0.071 0.000 1.005 279 S CB -0.613 62.724 63.200 0.228 0.000 0.867 279 S HN 0.600 nan 8.310 nan 0.000 0.449 280 A N 2.553 125.435 122.820 0.103 0.000 1.883 280 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 280 A C 2.181 179.749 177.584 -0.028 0.000 1.186 280 A CA 1.331 53.408 52.037 0.067 0.000 0.624 280 A CB -0.532 18.427 19.000 -0.069 0.000 0.822 280 A HN 0.312 nan 8.150 nan 0.000 0.444 281 R N -1.252 119.160 120.500 -0.147 0.000 2.097 281 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 281 R C 2.010 178.227 176.300 -0.138 0.000 1.135 281 R CA 1.824 57.797 56.100 -0.210 0.000 0.934 281 R CB -1.150 28.950 30.300 -0.332 0.000 0.846 281 R HN 0.648 nan 8.270 nan 0.000 0.431 282 F N 0.764 120.667 119.950 -0.078 0.000 2.065 282 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 282 F C 2.724 178.501 175.800 -0.038 0.000 1.112 282 F CA 1.235 59.186 58.000 -0.081 0.000 1.212 282 F CB -0.578 38.328 39.000 -0.156 0.000 0.975 282 F HN -0.198 nan 8.300 nan 0.000 0.476 283 V N -0.010 120.014 119.914 0.183 0.000 2.231 283 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 283 V C 2.232 178.391 176.094 0.108 0.000 1.054 283 V CA 1.636 64.022 62.300 0.144 0.000 1.015 283 V CB -0.728 31.192 31.823 0.160 0.000 0.638 283 V HN 0.216 nan 8.190 nan 0.000 0.444 284 L N 0.901 122.168 121.223 0.073 0.000 2.131 284 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 284 L C 2.706 179.644 176.870 0.113 0.000 1.092 284 L CA 2.296 57.172 54.840 0.060 0.000 0.759 284 L CB -1.396 40.671 42.059 0.013 0.000 0.903 284 L HN 0.600 nan 8.230 nan 0.000 0.435 285 S N -1.690 114.065 115.700 0.092 0.000 2.447 285 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 285 S C 1.588 176.317 174.600 0.216 0.000 1.006 285 S CA 1.123 59.416 58.200 0.155 0.000 0.957 285 S CB -0.179 63.073 63.200 0.087 0.000 0.773 285 S HN 0.427 nan 8.310 nan 0.000 0.507 286 D N 1.001 121.499 120.400 0.164 0.000 2.201 286 D HA 0.097 4.737 4.640 -0.000 0.000 0.209 286 D C 1.973 178.347 176.300 0.123 0.000 0.961 286 D CA 0.755 54.834 54.000 0.132 0.000 0.861 286 D CB 0.048 40.908 40.800 0.101 0.000 0.997 286 D HN 0.321 nan 8.370 nan 0.000 0.486 287 K N 0.786 121.260 120.400 0.124 0.000 2.044 287 K HA 0.111 4.430 4.320 -0.000 0.000 0.204 287 K C 2.454 179.176 176.600 0.203 0.000 1.045 287 K CA 0.104 56.465 56.287 0.123 0.000 0.951 287 K CB -0.730 31.810 32.500 0.067 0.000 0.738 287 K HN 0.163 nan 8.250 nan 0.000 0.443 288 L N 1.292 122.631 121.223 0.194 0.000 2.013 288 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 288 L C -0.617 176.383 176.870 0.216 0.000 1.073 288 L CA 1.508 56.493 54.840 0.242 0.000 0.753 288 L CB -1.907 40.369 42.059 0.361 0.000 0.890 288 L HN 0.077 nan 8.230 nan 0.000 0.432 289 P HA -0.273 nan 4.420 nan 0.000 0.222 289 P C 1.314 178.590 177.300 -0.041 0.000 1.147 289 P CA 1.738 64.789 63.100 -0.082 0.000 0.958 289 P CB -0.036 31.678 31.700 0.023 0.000 0.788 290 E N -2.158 118.056 120.200 0.023 0.000 2.265 290 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 290 E C 2.051 178.638 176.600 -0.023 0.000 0.996 290 E CA 0.974 57.367 56.400 -0.011 0.000 0.832 290 E CB -0.809 28.852 29.700 -0.065 0.000 0.756 290 E HN 0.534 nan 8.360 nan 0.000 0.491 291 H N -0.251 118.837 119.070 0.029 0.000 2.389 291 H HA -0.029 4.527 4.556 -0.000 0.000 0.299 291 H C 2.211 177.606 175.328 0.113 0.000 1.081 291 H CA 1.177 57.299 56.048 0.123 0.000 1.345 291 H CB 0.213 30.061 29.762 0.143 0.000 1.393 291 H HN 0.004 nan 8.280 nan 0.000 0.520 292 V N 0.944 120.942 119.914 0.140 0.000 2.270 292 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 292 V C 2.614 178.714 176.094 0.011 0.000 1.043 292 V CA 2.220 64.541 62.300 0.035 0.000 1.014 292 V CB -0.839 30.863 31.823 -0.202 0.000 0.645 292 V HN 0.575 nan 8.190 nan 0.000 0.447 293 T N -2.610 111.923 114.554 -0.035 0.000 3.227 293 T HA 0.026 4.376 4.350 -0.000 0.000 0.257 293 T C 0.726 175.393 174.700 -0.054 0.000 1.162 293 T CA 0.281 62.349 62.100 -0.053 0.000 1.051 293 T CB -0.339 68.487 68.868 -0.069 0.000 0.953 293 T HN 0.118 nan 8.240 nan 0.000 0.535 294 M N 2.695 122.315 119.600 0.035 0.000 2.200 294 M HA 0.340 4.820 4.480 -0.000 0.000 0.355 294 M C -2.478 173.882 176.300 0.100 0.000 1.283 294 M CA -2.483 52.875 55.300 0.097 0.000 1.124 294 M CB 0.856 33.617 32.600 0.268 0.000 1.625 294 M HN -0.048 nan 8.290 nan 0.000 0.463 295 P HA -0.022 nan 4.420 nan 0.000 0.262 295 P C -0.646 176.719 177.300 0.108 0.000 1.182 295 P CA 0.206 63.340 63.100 0.057 0.000 0.761 295 P CB 0.352 32.071 31.700 0.032 0.000 0.795 296 D N 1.641 122.090 120.400 0.083 0.000 2.372 296 D HA 0.440 5.080 4.640 -0.000 0.000 0.243 296 D C 0.634 176.990 176.300 0.093 0.000 1.121 296 D CA 0.872 54.927 54.000 0.091 0.000 0.898 296 D CB 1.029 41.861 40.800 0.054 0.000 1.202 296 D HN 0.467 nan 8.370 nan 0.000 0.428 297 G N 0.648 109.514 108.800 0.110 0.000 2.495 297 G HA2 0.219 4.179 3.960 -0.000 0.000 0.294 297 G HA3 0.219 4.179 3.960 -0.000 0.000 0.294 297 G C -0.791 174.181 174.900 0.120 0.000 1.397 297 G CA -0.600 44.572 45.100 0.120 0.000 0.790 297 G HN 0.410 nan 8.290 nan 0.000 0.486 298 D N -1.049 119.430 120.400 0.131 0.000 2.462 298 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 298 D C 0.250 176.640 176.300 0.149 0.000 1.173 298 D CA -0.688 53.369 54.000 0.095 0.000 0.831 298 D CB -0.032 40.799 40.800 0.052 0.000 1.001 298 D HN 0.185 nan 8.370 nan 0.000 0.499 299 F N 1.891 121.912 119.950 0.118 0.000 2.572 299 F HA 0.292 4.819 4.527 -0.000 0.000 0.370 299 F C 0.188 176.135 175.800 0.245 0.000 1.103 299 F CA 0.112 58.208 58.000 0.160 0.000 1.286 299 F CB 0.989 40.074 39.000 0.141 0.000 1.105 299 F HN -0.098 nan 8.300 nan 0.000 0.583 300 S N 6.931 122.231 115.700 -0.667 0.000 2.707 300 S HA 0.390 4.860 4.470 -0.000 0.000 0.303 300 S C 0.889 175.177 174.600 -0.519 0.000 1.132 300 S CA -0.860 57.140 58.200 -0.332 0.000 1.046 300 S CB 0.528 63.623 63.200 -0.175 0.000 1.004 300 S HN 0.722 nan 8.310 nan 0.000 0.483 301 I N 4.446 124.943 120.570 -0.121 0.000 2.335 301 I HA -0.194 3.975 4.170 -0.000 0.000 0.251 301 I C 2.600 178.821 176.117 0.173 0.000 1.129 301 I CA 1.021 62.364 61.300 0.072 0.000 1.402 301 I CB -0.191 37.915 38.000 0.176 0.000 1.069 301 I HN 0.646 nan 8.210 nan 0.000 0.424 302 R N 0.469 121.020 120.500 0.085 0.000 2.061 302 R HA -0.104 4.235 4.340 -0.000 0.000 0.230 302 R C 2.566 178.898 176.300 0.053 0.000 1.140 302 R CA 1.801 57.954 56.100 0.089 0.000 0.940 302 R CB -0.513 29.812 30.300 0.041 0.000 0.839 302 R HN 0.255 nan 8.270 nan 0.000 0.429 303 S N 0.529 116.220 115.700 -0.016 0.000 2.359 303 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 303 S C 1.420 176.025 174.600 0.008 0.000 1.035 303 S CA 1.424 59.607 58.200 -0.029 0.000 1.018 303 S CB -0.466 62.688 63.200 -0.077 0.000 0.876 303 S HN 0.488 nan 8.310 nan 0.000 0.448 304 W N 2.430 123.613 121.300 -0.194 0.000 2.321 304 W HA -0.137 4.523 4.660 -0.000 0.000 0.306 304 W C 1.640 178.159 176.519 -0.001 0.000 1.217 304 W CA 1.207 58.498 57.345 -0.089 0.000 1.257 304 W CB -0.505 28.912 29.460 -0.073 0.000 1.145 304 W HN 0.206 nan 8.180 nan 0.000 0.509 305 L N 0.259 121.494 121.223 0.020 0.000 2.131 305 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 305 L C 2.308 179.059 176.870 -0.199 0.000 1.092 305 L CA 1.725 56.459 54.840 -0.176 0.000 0.759 305 L CB -0.778 41.317 42.059 0.061 0.000 0.903 305 L HN 0.055 nan 8.230 nan 0.000 0.435 306 E N -0.729 119.406 120.200 -0.108 0.000 2.216 306 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 306 E C 0.509 177.041 176.600 -0.114 0.000 0.988 306 E CA 0.206 56.553 56.400 -0.088 0.000 0.834 306 E CB 0.034 29.709 29.700 -0.041 0.000 0.772 306 E HN 0.240 nan 8.360 nan 0.000 0.479 307 D N 0.939 121.252 120.400 -0.146 0.000 2.359 307 D HA 0.022 4.662 4.640 -0.000 0.000 0.250 307 D C -1.872 174.320 176.300 -0.180 0.000 1.264 307 D CA -2.304 51.620 54.000 -0.127 0.000 0.911 307 D CB 1.187 41.938 40.800 -0.081 0.000 1.056 307 D HN -0.173 nan 8.370 nan 0.000 0.499 308 P HA -0.110 nan 4.420 nan 0.000 0.215 308 P C 0.834 178.078 177.300 -0.095 0.000 1.153 308 P CA 0.821 63.851 63.100 -0.116 0.000 0.853 308 P CB 0.244 31.902 31.700 -0.070 0.000 0.788 309 N N -0.485 118.181 118.700 -0.056 0.000 2.573 309 N HA -0.030 4.710 4.740 -0.000 0.000 0.187 309 N C 1.238 176.750 175.510 0.002 0.000 1.107 309 N CA 0.676 53.717 53.050 -0.016 0.000 0.918 309 N CB -0.583 37.906 38.487 0.005 0.000 0.966 309 N HN 0.152 nan 8.380 nan 0.000 0.448 310 G N -0.368 108.398 108.800 -0.056 0.000 2.614 310 G HA2 0.367 4.327 3.960 -0.000 0.000 0.239 310 G HA3 0.367 4.327 3.960 -0.000 0.000 0.239 310 G C 0.762 175.699 174.900 0.061 0.000 1.240 310 G CA -0.009 45.090 45.100 -0.003 0.000 0.842 310 G HN 0.180 nan 8.290 nan 0.000 0.584 311 G N 0.049 109.031 108.800 0.304 0.000 2.928 311 G HA2 0.353 4.313 3.960 -0.000 0.000 0.163 311 G HA3 0.353 4.313 3.960 -0.000 0.000 0.163 311 G C 0.049 175.234 174.900 0.475 0.000 1.573 311 G CA -0.656 44.637 45.100 0.322 0.000 1.084 311 G HN 0.595 nan 8.290 nan 0.000 0.569 312 N N -0.409 118.596 118.700 0.510 0.000 2.430 312 N HA 0.373 5.113 4.740 -0.000 0.000 0.298 312 N C -1.213 174.566 175.510 0.449 0.000 1.130 312 N CA -0.471 52.892 53.050 0.521 0.000 0.894 312 N CB 2.447 41.106 38.487 0.286 0.000 1.209 312 N HN 0.222 nan 8.380 nan 0.000 0.503 313 L N 1.858 123.194 121.223 0.189 0.000 2.272 313 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 313 L C -1.217 175.512 176.870 -0.235 0.000 1.032 313 L CA -0.614 54.080 54.840 -0.243 0.000 0.810 313 L CB 0.255 41.833 42.059 -0.803 0.000 1.205 313 L HN 0.375 nan 8.230 nan 0.000 0.422 314 F N 5.685 125.555 119.950 -0.134 0.000 2.375 314 F HA 0.415 4.942 4.527 -0.000 0.000 0.361 314 F C 0.299 176.045 175.800 -0.090 0.000 1.117 314 F CA -0.428 57.537 58.000 -0.058 0.000 1.037 314 F CB 1.252 40.230 39.000 -0.037 0.000 1.192 314 F HN 0.231 nan 8.300 nan 0.000 0.452 315 I N 4.109 124.750 120.570 0.118 0.000 2.287 315 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 315 I C 0.237 176.577 176.117 0.371 0.000 1.069 315 I CA -0.222 61.186 61.300 0.180 0.000 1.237 315 I CB 0.583 38.727 38.000 0.240 0.000 1.418 315 I HN 0.589 nan 8.210 nan 0.000 0.481 316 T N 2.285 117.042 114.554 0.338 0.000 2.940 316 T HA 0.789 5.139 4.350 -0.000 0.000 0.288 316 T C -1.020 173.967 174.700 0.478 0.000 1.045 316 T CA -0.675 61.592 62.100 0.278 0.000 1.018 316 T CB 2.184 71.125 68.868 0.122 0.000 1.151 316 T HN 0.671 nan 8.240 nan 0.000 0.529 317 W N -0.659 120.684 121.300 0.073 0.000 3.319 317 W HA 0.613 5.272 4.660 -0.000 0.000 0.300 317 W C -1.768 174.687 176.519 -0.106 0.000 1.244 317 W CA -1.225 56.129 57.345 0.014 0.000 1.193 317 W CB 0.752 30.238 29.460 0.044 0.000 1.359 317 W HN 0.794 nan 8.180 nan 0.000 0.568 318 R N 2.301 122.722 120.500 -0.132 0.000 2.340 318 R HA 0.157 4.497 4.340 -0.000 0.000 0.300 318 R C 1.136 177.415 176.300 -0.035 0.000 1.069 318 R CA -0.297 55.639 56.100 -0.273 0.000 0.984 318 R CB 1.148 31.207 30.300 -0.402 0.000 1.003 318 R HN 0.732 nan 8.270 nan 0.000 0.459 319 E N 1.565 121.703 120.200 -0.103 0.000 2.147 319 E HA -0.285 4.065 4.350 -0.000 0.000 0.199 319 E C 1.134 177.780 176.600 0.076 0.000 1.005 319 E CA 1.882 58.314 56.400 0.054 0.000 0.810 319 E CB 0.060 29.748 29.700 -0.020 0.000 0.736 319 E HN 0.660 nan 8.360 nan 0.000 0.460 320 D N -0.174 120.221 120.400 -0.007 0.000 2.350 320 D HA -0.174 4.466 4.640 -0.000 0.000 0.216 320 D C 1.414 177.703 176.300 -0.018 0.000 0.968 320 D CA 0.962 54.951 54.000 -0.018 0.000 0.894 320 D CB -0.121 40.648 40.800 -0.052 0.000 0.909 320 D HN 0.258 nan 8.370 nan 0.000 0.520 321 M N -0.341 119.261 119.600 0.004 0.000 2.346 321 M HA 0.303 4.783 4.480 -0.000 0.000 0.280 321 M C 1.832 178.137 176.300 0.008 0.000 1.075 321 M CA 0.046 55.328 55.300 -0.031 0.000 0.989 321 M CB 1.249 33.772 32.600 -0.128 0.000 1.447 321 M HN 0.073 nan 8.290 nan 0.000 0.511 322 G N 2.951 111.809 108.800 0.096 0.000 2.553 322 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 322 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 322 G C -0.636 174.189 174.900 -0.124 0.000 1.195 322 G CA 0.907 46.000 45.100 -0.010 0.000 0.779 322 G HN 0.316 nan 8.290 nan 0.000 0.577 323 P HA -0.081 nan 4.420 nan 0.000 0.218 323 P C 1.949 179.204 177.300 -0.076 0.000 1.148 323 P CA 2.043 65.105 63.100 -0.064 0.000 0.822 323 P CB -0.188 31.494 31.700 -0.030 0.000 0.784 324 A N 0.000 122.779 122.820 -0.069 0.000 1.930 324 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 324 A C 2.252 179.786 177.584 -0.082 0.000 1.175 324 A CA 1.085 53.088 52.037 -0.056 0.000 0.627 324 A CB -1.335 17.637 19.000 -0.046 0.000 0.815 324 A HN 0.169 nan 8.150 nan 0.000 0.443 325 L N -1.152 119.988 121.223 -0.139 0.000 2.592 325 L HA 0.137 4.476 4.340 -0.000 0.000 0.227 325 L C 2.258 178.942 176.870 -0.309 0.000 1.127 325 L CA 0.034 54.752 54.840 -0.204 0.000 0.884 325 L CB -0.249 41.696 42.059 -0.190 0.000 1.065 325 L HN 0.433 nan 8.230 nan 0.000 0.457 326 R N 1.677 122.021 120.500 -0.261 0.000 2.094 326 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 326 R C -0.442 175.732 176.300 -0.210 0.000 1.137 326 R CA 1.962 57.910 56.100 -0.253 0.000 0.943 326 R CB -0.950 29.251 30.300 -0.165 0.000 0.850 326 R HN 0.205 nan 8.270 nan 0.000 0.433 327 P HA -0.174 nan 4.420 nan 0.000 0.221 327 P C 1.467 178.662 177.300 -0.175 0.000 1.150 327 P CA 1.180 64.218 63.100 -0.104 0.000 0.800 327 P CB -0.063 31.622 31.700 -0.025 0.000 0.787 328 L N -0.675 120.336 121.223 -0.354 0.000 2.068 328 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 328 L C 2.639 179.018 176.870 -0.819 0.000 1.076 328 L CA 1.118 55.522 54.840 -0.726 0.000 0.753 328 L CB -0.498 41.037 42.059 -0.873 0.000 0.910 328 L HN -0.178 nan 8.230 nan 0.000 0.439 329 I N -0.687 119.550 120.570 -0.554 0.000 2.286 329 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 329 I C 2.484 178.506 176.117 -0.158 0.000 1.115 329 I CA 1.146 62.261 61.300 -0.307 0.000 1.392 329 I CB -0.215 37.569 38.000 -0.359 0.000 1.065 329 I HN 0.195 nan 8.210 nan 0.000 0.418 330 S N 0.666 116.263 115.700 -0.171 0.000 2.399 330 S HA -0.125 4.344 4.470 -0.000 0.000 0.231 330 S C 2.189 176.782 174.600 -0.011 0.000 1.022 330 S CA 1.226 59.389 58.200 -0.063 0.000 0.983 330 S CB -0.239 62.921 63.200 -0.066 0.000 0.803 330 S HN 0.552 nan 8.310 nan 0.000 0.480 331 A N 1.103 123.880 122.820 -0.073 0.000 1.872 331 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 331 A C 1.846 179.497 177.584 0.111 0.000 1.187 331 A CA 0.922 52.977 52.037 0.030 0.000 0.614 331 A CB -0.803 18.232 19.000 0.058 0.000 0.826 331 A HN 0.591 nan 8.150 nan 0.000 0.442 332 W N 0.304 121.568 121.300 -0.060 0.000 2.335 332 W HA -0.121 4.539 4.660 -0.000 0.000 0.311 332 W C 2.332 178.840 176.519 -0.019 0.000 1.213 332 W CA 1.246 58.507 57.345 -0.141 0.000 1.274 332 W CB -1.343 27.957 29.460 -0.266 0.000 1.148 332 W HN 0.186 nan 8.180 nan 0.000 0.498 333 V N 0.332 120.387 119.914 0.235 0.000 2.343 333 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 333 V C 1.845 178.042 176.094 0.171 0.000 1.051 333 V CA 2.426 64.834 62.300 0.180 0.000 1.036 333 V CB -1.123 30.786 31.823 0.144 0.000 0.654 333 V HN 0.032 nan 8.190 nan 0.000 0.451 334 D N -0.163 120.336 120.400 0.166 0.000 2.117 334 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 334 D C 2.026 178.454 176.300 0.213 0.000 0.982 334 D CA 1.212 55.309 54.000 0.161 0.000 0.828 334 D CB -0.010 40.873 40.800 0.139 0.000 0.967 334 D HN 0.193 nan 8.370 nan 0.000 0.464 335 V N -0.081 120.014 119.914 0.302 0.000 2.332 335 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 335 V C 2.541 178.839 176.094 0.339 0.000 1.055 335 V CA 1.368 63.928 62.300 0.433 0.000 1.038 335 V CB -0.466 31.645 31.823 0.478 0.000 0.651 335 V HN 0.187 nan 8.190 nan 0.000 0.450 336 V N -1.058 119.010 119.914 0.257 0.000 2.343 336 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 336 V C 2.533 178.735 176.094 0.181 0.000 1.051 336 V CA 2.241 64.676 62.300 0.224 0.000 1.036 336 V CB -0.802 31.139 31.823 0.197 0.000 0.654 336 V HN 0.656 nan 8.190 nan 0.000 0.451 337 C N 0.090 119.481 119.300 0.152 0.000 2.432 337 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 337 C C 2.972 178.015 174.990 0.089 0.000 1.249 337 C CA 1.838 60.916 59.018 0.099 0.000 1.725 337 C CB -1.292 26.496 27.740 0.080 0.000 2.028 337 C HN 0.682 nan 8.230 nan 0.000 0.477 338 T N 0.213 114.829 114.554 0.104 0.000 2.851 338 T HA -0.094 4.256 4.350 -0.000 0.000 0.262 338 T C 1.949 176.717 174.700 0.114 0.000 1.043 338 T CA 1.556 63.695 62.100 0.065 0.000 1.140 338 T CB -0.403 68.447 68.868 -0.031 0.000 0.872 338 T HN 0.501 nan 8.240 nan 0.000 0.446 339 S N 2.301 118.121 115.700 0.200 0.000 2.374 339 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 339 S C 2.169 176.859 174.600 0.150 0.000 1.037 339 S CA 1.565 59.901 58.200 0.227 0.000 1.024 339 S CB -0.644 62.728 63.200 0.287 0.000 0.861 339 S HN 0.742 nan 8.310 nan 0.000 0.456 340 I N -0.519 120.125 120.570 0.124 0.000 2.567 340 I HA -0.047 4.123 4.170 -0.000 0.000 0.257 340 I C 1.562 177.713 176.117 0.057 0.000 1.184 340 I CA 1.174 62.523 61.300 0.080 0.000 1.451 340 I CB -0.447 37.590 38.000 0.063 0.000 1.089 340 I HN 0.061 nan 8.210 nan 0.000 0.441 341 L N 0.281 121.542 121.223 0.063 0.000 2.551 341 L HA 0.056 4.396 4.340 -0.000 0.000 0.228 341 L C 2.073 178.977 176.870 0.057 0.000 1.153 341 L CA 1.214 56.082 54.840 0.047 0.000 0.851 341 L CB -0.708 41.377 42.059 0.042 0.000 0.959 341 L HN 0.291 nan 8.230 nan 0.000 0.451 342 S N -1.665 114.082 115.700 0.079 0.000 2.505 342 S HA 0.283 4.753 4.470 -0.000 0.000 0.216 342 S C 0.757 175.393 174.600 0.060 0.000 1.018 342 S CA -0.457 57.795 58.200 0.087 0.000 0.911 342 S CB 0.245 63.523 63.200 0.131 0.000 0.818 342 S HN 0.121 nan 8.310 nan 0.000 0.497 343 L N 3.980 125.231 121.223 0.047 0.000 2.514 343 L HA 0.116 4.456 4.340 -0.000 0.000 0.280 343 L C -1.741 175.136 176.870 0.011 0.000 1.223 343 L CA -1.111 53.743 54.840 0.023 0.000 0.864 343 L CB -0.232 41.832 42.059 0.009 0.000 1.118 343 L HN 0.116 nan 8.230 nan 0.000 0.494 344 P HA -0.014 nan 4.420 nan 0.000 0.272 344 P C -0.618 176.675 177.300 -0.012 0.000 1.230 344 P CA -0.504 62.595 63.100 -0.002 0.000 0.788 344 P CB 0.532 32.229 31.700 -0.004 0.000 0.949 345 E N 1.148 121.341 120.200 -0.012 0.000 2.562 345 E HA -0.042 4.308 4.350 -0.000 0.000 0.241 345 E C -0.459 176.127 176.600 -0.023 0.000 1.136 345 E CA 0.656 57.046 56.400 -0.018 0.000 0.952 345 E CB -0.608 29.083 29.700 -0.015 0.000 0.975 345 E HN 0.256 nan 8.360 nan 0.000 0.494 346 E N 5.338 125.521 120.200 -0.029 0.000 2.502 346 E HA 0.320 4.670 4.350 -0.000 0.000 0.261 346 E C -2.433 174.142 176.600 -0.041 0.000 0.974 346 E CA -2.086 54.294 56.400 -0.034 0.000 0.795 346 E CB 1.196 30.873 29.700 -0.037 0.000 1.385 346 E HN 0.249 nan 8.360 nan 0.000 0.400 347 P HA -0.092 nan 4.420 nan 0.000 0.217 347 P C 0.486 177.756 177.300 -0.049 0.000 1.150 347 P CA 1.069 64.142 63.100 -0.045 0.000 0.832 347 P CB 0.318 31.996 31.700 -0.038 0.000 0.787 348 K N -0.850 119.525 120.400 -0.042 0.000 2.504 348 K HA -0.033 4.287 4.320 -0.000 0.000 0.195 348 K C 1.109 177.680 176.600 -0.048 0.000 1.036 348 K CA 0.044 56.307 56.287 -0.041 0.000 0.984 348 K CB -0.077 32.404 32.500 -0.032 0.000 0.788 348 K HN 0.119 nan 8.250 nan 0.000 0.488 349 R N 1.618 122.083 120.500 -0.058 0.000 2.590 349 R HA 0.082 4.422 4.340 -0.000 0.000 0.274 349 R C -0.662 175.586 176.300 -0.087 0.000 1.061 349 R CA 0.329 56.388 56.100 -0.068 0.000 1.081 349 R CB 0.486 30.743 30.300 -0.071 0.000 0.984 349 R HN -0.026 nan 8.270 nan 0.000 0.448 350 R N 4.718 125.167 120.500 -0.084 0.000 2.575 350 R HA 0.315 4.655 4.340 -0.000 0.000 0.292 350 R C -1.315 174.924 176.300 -0.102 0.000 1.246 350 R CA -0.540 55.483 56.100 -0.129 0.000 0.973 350 R CB 1.422 31.681 30.300 -0.067 0.000 1.187 350 R HN 0.446 nan 8.270 nan 0.000 0.478 351 L N 3.756 124.875 121.223 -0.174 0.000 2.343 351 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 351 L C -1.256 175.538 176.870 -0.128 0.000 0.996 351 L CA -0.721 54.083 54.840 -0.060 0.000 0.831 351 L CB 1.142 43.186 42.059 -0.026 0.000 1.232 351 L HN 0.575 nan 8.230 nan 0.000 0.413 352 W N 5.384 126.701 121.300 0.027 0.000 2.438 352 W HA 0.485 5.145 4.660 -0.000 0.000 0.324 352 W C -0.325 176.169 176.519 -0.043 0.000 1.119 352 W CA -0.334 56.970 57.345 -0.067 0.000 1.221 352 W CB 1.242 30.657 29.460 -0.076 0.000 1.253 352 W HN 0.230 nan 8.180 nan 0.000 0.555 353 L N 4.133 125.400 121.223 0.073 0.000 2.353 353 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 353 L C -1.490 175.386 176.870 0.009 0.000 1.003 353 L CA -0.789 54.108 54.840 0.094 0.000 0.862 353 L CB 0.196 42.298 42.059 0.072 0.000 1.221 353 L HN 0.298 nan 8.230 nan 0.000 0.430 354 F N 5.342 125.413 119.950 0.201 0.000 2.404 354 F HA 0.395 4.922 4.527 -0.000 0.000 0.358 354 F C 0.409 176.305 175.800 0.159 0.000 1.120 354 F CA -0.193 57.910 58.000 0.172 0.000 1.144 354 F CB 0.989 40.053 39.000 0.105 0.000 1.133 354 F HN 0.238 nan 8.300 nan 0.000 0.495 355 I N 4.820 125.572 120.570 0.303 0.000 2.390 355 I HA 0.114 4.284 4.170 -0.000 0.000 0.283 355 I C 0.851 177.113 176.117 0.241 0.000 1.016 355 I CA -0.503 60.950 61.300 0.254 0.000 1.151 355 I CB 1.174 39.298 38.000 0.206 0.000 1.293 355 I HN 0.595 nan 8.210 nan 0.000 0.458 356 D N 4.745 125.292 120.400 0.245 0.000 2.104 356 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 356 D C 0.582 176.978 176.300 0.160 0.000 0.994 356 D CA 1.602 55.719 54.000 0.196 0.000 0.830 356 D CB 0.406 41.314 40.800 0.180 0.000 0.959 356 D HN 0.436 nan 8.370 nan 0.000 0.452 357 E N -0.634 119.669 120.200 0.172 0.000 2.580 357 E HA 0.207 4.557 4.350 -0.000 0.000 0.248 357 E C 0.362 177.034 176.600 0.120 0.000 1.018 357 E CA -0.496 55.982 56.400 0.129 0.000 0.775 357 E CB 0.787 30.567 29.700 0.132 0.000 1.378 357 E HN 0.010 nan 8.360 nan 0.000 0.401 358 L N 3.558 124.838 121.223 0.095 0.000 2.081 358 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 358 L C 1.745 178.696 176.870 0.134 0.000 1.080 358 L CA 2.681 57.583 54.840 0.105 0.000 0.754 358 L CB -0.324 41.757 42.059 0.036 0.000 0.893 358 L HN 0.616 nan 8.230 nan 0.000 0.433 359 A N -2.410 120.473 122.820 0.104 0.000 2.168 359 A HA -0.037 4.282 4.320 -0.000 0.000 0.215 359 A C 2.255 179.888 177.584 0.082 0.000 1.152 359 A CA 1.283 53.388 52.037 0.113 0.000 0.716 359 A CB -0.479 18.568 19.000 0.079 0.000 0.794 359 A HN 0.466 nan 8.150 nan 0.000 0.465 360 S N -0.463 115.282 115.700 0.075 0.000 2.558 360 S HA 0.273 4.743 4.470 -0.000 0.000 0.217 360 S C 0.682 175.282 174.600 -0.001 0.000 0.975 360 S CA -0.029 58.197 58.200 0.043 0.000 0.912 360 S CB -0.251 62.991 63.200 0.070 0.000 0.776 360 S HN 0.467 nan 8.310 nan 0.000 0.526 361 L N 0.987 122.225 121.223 0.024 0.000 2.472 361 L HA 0.405 4.745 4.340 -0.000 0.000 0.256 361 L C 0.850 177.703 176.870 -0.027 0.000 1.111 361 L CA -0.821 54.013 54.840 -0.010 0.000 0.800 361 L CB 0.424 42.509 42.059 0.042 0.000 1.286 361 L HN 0.100 nan 8.230 nan 0.000 0.479 362 E N 0.061 120.227 120.200 -0.056 0.000 2.602 362 E HA 0.122 4.472 4.350 -0.000 0.000 0.255 362 E C -0.622 175.855 176.600 -0.205 0.000 1.268 362 E CA -0.722 55.610 56.400 -0.113 0.000 1.007 362 E CB 0.613 30.261 29.700 -0.088 0.000 1.208 362 E HN 0.270 nan 8.360 nan 0.000 0.584 363 K N 1.841 122.033 120.400 -0.347 0.000 2.237 363 K HA 0.104 4.424 4.320 -0.000 0.000 0.283 363 K C -0.448 176.042 176.600 -0.183 0.000 1.080 363 K CA -0.092 55.820 56.287 -0.626 0.000 0.965 363 K CB -0.354 31.832 32.500 -0.524 0.000 1.098 363 K HN 0.296 nan 8.250 nan 0.000 0.434 364 L N 4.018 125.272 121.223 0.052 0.000 2.477 364 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 364 L C 1.496 178.453 176.870 0.146 0.000 1.157 364 L CA -0.359 54.565 54.840 0.141 0.000 0.889 364 L CB 0.940 43.122 42.059 0.204 0.000 1.158 364 L HN 0.758 nan 8.230 nan 0.000 0.473 365 A N 2.430 125.298 122.820 0.080 0.000 2.067 365 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 365 A C 1.948 179.569 177.584 0.061 0.000 1.158 365 A CA 1.594 53.668 52.037 0.062 0.000 0.661 365 A CB -0.084 18.936 19.000 0.033 0.000 0.801 365 A HN 0.765 nan 8.150 nan 0.000 0.452 366 S N -1.129 114.611 115.700 0.066 0.000 2.540 366 S HA 0.231 4.701 4.470 -0.000 0.000 0.222 366 S C 1.449 176.073 174.600 0.039 0.000 1.008 366 S CA -0.201 58.026 58.200 0.046 0.000 0.939 366 S CB -0.020 63.203 63.200 0.040 0.000 0.865 366 S HN 0.474 nan 8.310 nan 0.000 0.499 367 L N 1.958 123.219 121.223 0.063 0.000 2.013 367 L HA -0.247 4.092 4.340 -0.000 0.000 0.212 367 L C 2.615 179.462 176.870 -0.039 0.000 1.073 367 L CA 1.845 56.700 54.840 0.025 0.000 0.753 367 L CB -0.689 41.413 42.059 0.073 0.000 0.890 367 L HN 0.423 nan 8.230 nan 0.000 0.432 368 A N -0.199 122.614 122.820 -0.013 0.000 1.859 368 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 368 A C 1.905 179.458 177.584 -0.052 0.000 1.198 368 A CA 2.165 54.178 52.037 -0.040 0.000 0.629 368 A CB -0.853 18.145 19.000 -0.004 0.000 0.830 368 A HN 0.506 nan 8.150 nan 0.000 0.446 369 D N -0.137 120.248 120.400 -0.025 0.000 2.149 369 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 369 D C 2.250 178.528 176.300 -0.036 0.000 0.990 369 D CA 1.516 55.502 54.000 -0.023 0.000 0.839 369 D CB -0.403 40.392 40.800 -0.008 0.000 0.948 369 D HN 0.445 nan 8.370 nan 0.000 0.460 370 A N 0.953 123.746 122.820 -0.045 0.000 1.908 370 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 370 A C 2.369 179.885 177.584 -0.115 0.000 1.181 370 A CA 0.927 52.929 52.037 -0.058 0.000 0.627 370 A CB -0.812 18.157 19.000 -0.053 0.000 0.818 370 A HN 0.222 nan 8.150 nan 0.000 0.445 371 L N -1.031 120.060 121.223 -0.219 0.000 2.456 371 L HA -0.070 4.269 4.340 -0.000 0.000 0.224 371 L C 2.175 179.008 176.870 -0.061 0.000 1.148 371 L CA 1.298 55.917 54.840 -0.369 0.000 0.825 371 L CB -0.246 41.484 42.059 -0.549 0.000 0.937 371 L HN 0.350 nan 8.230 nan 0.000 0.450 372 T N -1.594 112.932 114.554 -0.046 0.000 2.999 372 T HA 0.069 4.419 4.350 -0.000 0.000 0.247 372 T C 1.300 175.995 174.700 -0.010 0.000 1.012 372 T CA 0.402 62.492 62.100 -0.016 0.000 1.048 372 T CB 0.424 69.275 68.868 -0.027 0.000 1.020 372 T HN 0.183 nan 8.240 nan 0.000 0.478 373 K N 0.684 121.076 120.400 -0.012 0.000 2.506 373 K HA 0.333 4.653 4.320 -0.000 0.000 0.204 373 K C 1.442 178.035 176.600 -0.012 0.000 1.045 373 K CA -0.177 56.102 56.287 -0.014 0.000 1.074 373 K CB 0.964 33.456 32.500 -0.014 0.000 0.842 373 K HN 0.146 nan 8.250 nan 0.000 0.514 374 G N 0.854 109.652 108.800 -0.003 0.000 3.042 374 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.212 374 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.212 374 G C 1.214 176.092 174.900 -0.036 0.000 1.166 374 G CA -0.172 44.924 45.100 -0.008 0.000 0.767 374 G HN 0.134 nan 8.290 nan 0.000 0.546 375 R N 0.590 121.059 120.500 -0.052 0.000 2.088 375 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 375 R C 2.134 178.386 176.300 -0.080 0.000 1.136 375 R CA 1.323 57.369 56.100 -0.090 0.000 0.926 375 R CB -0.006 30.240 30.300 -0.089 0.000 0.837 375 R HN -0.030 nan 8.270 nan 0.000 0.429 376 K N 0.043 120.408 120.400 -0.058 0.000 2.362 376 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 376 K C 1.456 178.025 176.600 -0.052 0.000 1.045 376 K CA 1.399 57.656 56.287 -0.051 0.000 0.936 376 K CB -0.261 32.216 32.500 -0.037 0.000 0.747 376 K HN 0.355 nan 8.250 nan 0.000 0.467 377 A N -0.600 122.189 122.820 -0.052 0.000 2.303 377 A HA 0.385 4.705 4.320 -0.000 0.000 0.217 377 A C 1.212 178.751 177.584 -0.074 0.000 1.205 377 A CA 0.667 52.675 52.037 -0.047 0.000 0.875 377 A CB 0.062 19.047 19.000 -0.025 0.000 0.910 377 A HN 0.275 nan 8.150 nan 0.000 0.501 378 G N -0.509 108.231 108.800 -0.099 0.000 2.160 378 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 378 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 378 G C 0.065 174.846 174.900 -0.198 0.000 1.022 378 G CA 0.249 45.259 45.100 -0.149 0.000 0.741 378 G HN 0.584 nan 8.290 nan 0.000 0.508 379 L N 0.042 121.179 121.223 -0.143 0.000 2.410 379 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 379 L C 0.548 177.310 176.870 -0.180 0.000 1.152 379 L CA -0.109 54.658 54.840 -0.122 0.000 0.855 379 L CB 0.382 42.427 42.059 -0.023 0.000 1.129 379 L HN 0.298 nan 8.230 nan 0.000 0.463 380 R N 4.038 124.357 120.500 -0.302 0.000 2.435 380 R HA 0.473 4.813 4.340 -0.000 0.000 0.308 380 R C -1.239 175.001 176.300 -0.099 0.000 0.975 380 R CA -0.628 55.224 56.100 -0.414 0.000 0.867 380 R CB 2.081 31.578 30.300 -1.338 0.000 1.171 380 R HN 0.351 nan 8.270 nan 0.000 0.470 381 V N 3.592 123.630 119.914 0.208 0.000 2.472 381 V HA 0.467 4.587 4.120 -0.000 0.000 0.290 381 V C -0.185 176.026 176.094 0.195 0.000 1.037 381 V CA -0.793 61.549 62.300 0.070 0.000 0.908 381 V CB 1.961 33.655 31.823 -0.215 0.000 0.985 381 V HN 0.409 nan 8.190 nan 0.000 0.454 382 V N 3.740 123.724 119.914 0.117 0.000 2.482 382 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 382 V C 0.041 176.271 176.094 0.226 0.000 1.026 382 V CA -0.319 62.095 62.300 0.191 0.000 0.856 382 V CB 1.654 33.495 31.823 0.030 0.000 1.001 382 V HN 1.053 nan 8.190 nan 0.000 0.424 383 A N 3.580 126.545 122.820 0.241 0.000 2.386 383 A HA 0.941 5.261 4.320 -0.000 0.000 0.311 383 A C 0.117 177.728 177.584 0.045 0.000 1.068 383 A CA -0.180 51.939 52.037 0.136 0.000 0.743 383 A CB 1.788 20.836 19.000 0.080 0.000 1.258 383 A HN 1.020 nan 8.150 nan 0.000 0.429 384 G N -0.314 108.530 108.800 0.073 0.000 2.425 384 G HA2 0.603 4.563 3.960 -0.000 0.000 0.302 384 G HA3 0.603 4.563 3.960 -0.000 0.000 0.302 384 G C -1.270 173.632 174.900 0.004 0.000 1.159 384 G CA -0.289 44.839 45.100 0.048 0.000 0.865 384 G HN 0.962 nan 8.290 nan 0.000 0.515 385 L N -0.143 121.074 121.223 -0.010 0.000 2.549 385 L HA 0.362 4.702 4.340 -0.000 0.000 0.259 385 L C 0.596 177.464 176.870 -0.004 0.000 0.934 385 L CA -0.411 54.416 54.840 -0.022 0.000 0.865 385 L CB 2.053 44.063 42.059 -0.081 0.000 1.352 385 L HN 0.737 nan 8.230 nan 0.000 0.410 386 Q N 0.452 120.257 119.800 0.008 0.000 2.240 386 Q HA 0.351 4.691 4.340 -0.000 0.000 0.194 386 Q C -0.269 175.734 176.000 0.006 0.000 0.982 386 Q CA 0.241 56.051 55.803 0.012 0.000 0.842 386 Q CB 0.455 29.206 28.738 0.021 0.000 0.941 386 Q HN 0.625 nan 8.270 nan 0.000 0.516 387 S N -0.123 115.581 115.700 0.008 0.000 2.501 387 S HA 0.153 4.623 4.470 -0.000 0.000 0.301 387 S C 0.694 175.296 174.600 0.003 0.000 1.096 387 S CA -0.447 57.757 58.200 0.006 0.000 1.063 387 S CB 1.616 64.823 63.200 0.011 0.000 1.042 387 S HN 0.448 nan 8.310 nan 0.000 0.494 388 T N -0.183 114.369 114.554 -0.002 0.000 2.995 388 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 388 T C 1.912 176.618 174.700 0.010 0.000 1.091 388 T CA 1.238 63.335 62.100 -0.005 0.000 1.128 388 T CB -0.444 68.418 68.868 -0.009 0.000 0.891 388 T HN 0.580 nan 8.240 nan 0.000 0.492 389 S N 1.404 117.112 115.700 0.012 0.000 2.423 389 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 389 S C 2.108 176.724 174.600 0.027 0.000 1.014 389 S CA 0.588 58.799 58.200 0.017 0.000 0.965 389 S CB -0.537 62.671 63.200 0.013 0.000 0.785 389 S HN 0.602 nan 8.310 nan 0.000 0.495 390 Q N 0.443 120.260 119.800 0.030 0.000 1.965 390 Q HA 0.029 4.369 4.340 -0.000 0.000 0.200 390 Q C 2.232 178.274 176.000 0.070 0.000 0.981 390 Q CA 1.380 57.208 55.803 0.041 0.000 0.834 390 Q CB -0.437 28.325 28.738 0.040 0.000 0.900 390 Q HN 0.444 nan 8.270 nan 0.000 0.426 391 L N 1.605 122.876 121.223 0.080 0.000 2.051 391 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 391 L C 1.536 178.510 176.870 0.173 0.000 1.076 391 L CA 1.963 56.890 54.840 0.145 0.000 0.758 391 L CB -0.546 41.543 42.059 0.051 0.000 0.890 391 L HN 0.198 nan 8.230 nan 0.000 0.433 392 D N -0.733 119.723 120.400 0.093 0.000 2.104 392 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 392 D C 1.888 178.232 176.300 0.073 0.000 0.994 392 D CA 1.585 55.633 54.000 0.079 0.000 0.830 392 D CB -0.264 40.562 40.800 0.043 0.000 0.959 392 D HN 0.456 nan 8.370 nan 0.000 0.452 393 D N -0.642 119.790 120.400 0.053 0.000 2.218 393 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 393 D C 1.817 178.124 176.300 0.011 0.000 0.976 393 D CA 0.472 54.488 54.000 0.027 0.000 0.853 393 D CB 0.319 41.130 40.800 0.019 0.000 0.939 393 D HN 0.012 nan 8.370 nan 0.000 0.481 394 V N -0.668 119.266 119.914 0.032 0.000 2.374 394 V HA -0.106 4.014 4.120 -0.000 0.000 0.241 394 V C 1.489 177.475 176.094 -0.180 0.000 1.034 394 V CA 1.105 63.362 62.300 -0.071 0.000 1.037 394 V CB -0.548 31.238 31.823 -0.061 0.000 0.682 394 V HN 0.191 nan 8.190 nan 0.000 0.463 395 Y N 0.680 120.982 120.300 0.003 0.000 2.503 395 Y HA 0.518 5.068 4.550 -0.000 0.000 0.278 395 Y C 1.351 177.249 175.900 -0.002 0.000 1.111 395 Y CA 0.522 58.624 58.100 0.003 0.000 1.270 395 Y CB 0.064 38.532 38.460 0.013 0.000 1.063 395 Y HN 0.365 nan 8.280 nan 0.000 0.548 396 G N -0.518 108.359 108.800 0.128 0.000 2.712 396 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 396 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 396 G C 0.378 175.325 174.900 0.077 0.000 1.181 396 G CA -0.536 44.606 45.100 0.070 0.000 0.762 396 G HN -0.025 nan 8.290 nan 0.000 0.641 397 V N 2.505 122.447 119.914 0.046 0.000 2.220 397 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 397 V C 3.083 179.197 176.094 0.035 0.000 1.056 397 V CA 2.759 65.081 62.300 0.036 0.000 1.016 397 V CB -0.566 31.270 31.823 0.021 0.000 0.639 397 V HN 0.803 nan 8.190 nan 0.000 0.446 398 K N -0.158 120.260 120.400 0.030 0.000 2.020 398 K HA -0.257 4.063 4.320 -0.000 0.000 0.212 398 K C 2.153 178.773 176.600 0.034 0.000 1.050 398 K CA 2.128 58.430 56.287 0.026 0.000 0.929 398 K CB -0.538 31.974 32.500 0.020 0.000 0.714 398 K HN 0.635 nan 8.250 nan 0.000 0.443 399 E N 0.201 120.434 120.200 0.056 0.000 2.077 399 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 399 E C 1.866 178.494 176.600 0.046 0.000 0.989 399 E CA 1.202 57.648 56.400 0.075 0.000 0.800 399 E CB -0.078 29.707 29.700 0.142 0.000 0.746 399 E HN 0.317 nan 8.360 nan 0.000 0.452 400 A N 0.656 123.514 122.820 0.063 0.000 1.933 400 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 400 A C 2.130 179.700 177.584 -0.023 0.000 1.175 400 A CA 1.748 53.782 52.037 -0.004 0.000 0.628 400 A CB -0.621 18.411 19.000 0.053 0.000 0.814 400 A HN 0.409 nan 8.150 nan 0.000 0.444 401 Q N -0.736 119.066 119.800 0.005 0.000 2.050 401 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 401 Q C 2.005 178.012 176.000 0.011 0.000 0.980 401 Q CA 2.147 57.954 55.803 0.007 0.000 0.840 401 Q CB -0.295 28.451 28.738 0.012 0.000 0.898 401 Q HN 0.589 nan 8.270 nan 0.000 0.424 402 T N 1.584 116.143 114.554 0.008 0.000 2.746 402 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 402 T C 1.709 176.415 174.700 0.011 0.000 1.039 402 T CA 1.140 63.246 62.100 0.010 0.000 1.142 402 T CB -0.273 68.600 68.868 0.007 0.000 0.866 402 T HN 0.205 nan 8.240 nan 0.000 0.444 403 L N 1.319 122.528 121.223 -0.022 0.000 1.976 403 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 403 L C 2.521 179.485 176.870 0.156 0.000 1.071 403 L CA 1.763 56.593 54.840 -0.018 0.000 0.746 403 L CB -0.507 41.417 42.059 -0.224 0.000 0.890 403 L HN 0.063 nan 8.230 nan 0.000 0.432 404 R N -0.704 119.845 120.500 0.081 0.000 2.091 404 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 404 R C 2.171 178.598 176.300 0.211 0.000 1.136 404 R CA 1.367 57.535 56.100 0.113 0.000 0.959 404 R CB -0.727 29.569 30.300 -0.006 0.000 0.856 404 R HN 0.539 nan 8.270 nan 0.000 0.437 405 A N 0.440 123.332 122.820 0.120 0.000 2.076 405 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 405 A C 2.042 179.696 177.584 0.118 0.000 1.160 405 A CA 1.611 53.708 52.037 0.101 0.000 0.653 405 A CB -0.279 18.754 19.000 0.054 0.000 0.801 405 A HN 0.232 nan 8.150 nan 0.000 0.455 406 S N -1.037 114.740 115.700 0.128 0.000 2.481 406 S HA 0.111 4.581 4.470 -0.000 0.000 0.231 406 S C -0.080 174.520 174.600 -0.001 0.000 0.996 406 S CA 0.166 58.377 58.200 0.020 0.000 0.942 406 S CB -0.269 62.865 63.200 -0.111 0.000 0.768 406 S HN 0.468 nan 8.310 nan 0.000 0.520 407 F N 2.519 122.509 119.950 0.066 0.000 2.368 407 F HA 0.370 4.897 4.527 -0.000 0.000 0.362 407 F C 1.362 177.216 175.800 0.090 0.000 1.137 407 F CA -0.894 57.173 58.000 0.112 0.000 1.161 407 F CB 0.607 39.652 39.000 0.075 0.000 1.265 407 F HN -0.169 nan 8.300 nan 0.000 0.530 408 R N 0.511 121.130 120.500 0.198 0.000 2.115 408 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 408 R C 0.332 176.729 176.300 0.162 0.000 1.100 408 R CA 0.404 56.587 56.100 0.138 0.000 0.980 408 R CB -0.428 29.913 30.300 0.070 0.000 0.875 408 R HN 0.359 nan 8.270 nan 0.000 0.445 409 S N 1.050 116.875 115.700 0.208 0.000 2.489 409 S HA 0.471 4.941 4.470 -0.000 0.000 0.291 409 S C -0.498 174.205 174.600 0.173 0.000 1.151 409 S CA -0.705 57.623 58.200 0.214 0.000 1.082 409 S CB 1.748 65.140 63.200 0.320 0.000 1.019 409 S HN 0.060 nan 8.310 nan 0.000 0.492 410 L N 3.544 124.821 121.223 0.090 0.000 2.354 410 L HA 0.821 5.161 4.340 -0.000 0.000 0.269 410 L C -1.450 175.419 176.870 -0.002 0.000 1.005 410 L CA -0.491 54.378 54.840 0.049 0.000 0.819 410 L CB 1.880 43.962 42.059 0.037 0.000 1.311 410 L HN 0.452 nan 8.230 nan 0.000 0.423 411 V N 4.726 124.645 119.914 0.010 0.000 2.525 411 V HA 0.515 4.635 4.120 -0.000 0.000 0.299 411 V C -0.922 175.192 176.094 0.034 0.000 1.034 411 V CA -0.624 61.681 62.300 0.007 0.000 0.863 411 V CB 2.063 33.892 31.823 0.009 0.000 0.999 411 V HN 0.518 nan 8.190 nan 0.000 0.423 412 V N 6.567 126.525 119.914 0.074 0.000 2.334 412 V HA 0.369 4.489 4.120 -0.000 0.000 0.281 412 V C 0.512 176.682 176.094 0.125 0.000 1.016 412 V CA -0.178 62.177 62.300 0.092 0.000 0.832 412 V CB 1.615 33.493 31.823 0.092 0.000 0.999 412 V HN 0.764 nan 8.190 nan 0.000 0.439 413 L N 4.181 125.450 121.223 0.077 0.000 2.629 413 L HA 0.438 4.778 4.340 -0.000 0.000 0.230 413 L C 1.163 178.072 176.870 0.065 0.000 1.151 413 L CA 0.387 55.265 54.840 0.062 0.000 0.924 413 L CB -0.222 41.860 42.059 0.039 0.000 1.137 413 L HN 0.979 nan 8.230 nan 0.000 0.457 414 G N -0.052 108.800 108.800 0.087 0.000 3.129 414 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.686 414 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.686 414 G C 0.003 174.929 174.900 0.043 0.000 0.989 414 G CA -0.367 44.777 45.100 0.074 0.000 0.810 414 G HN 0.404 nan 8.290 nan 0.000 0.539 415 G N 0.098 108.918 108.800 0.033 0.000 2.938 415 G HA2 0.862 4.822 3.960 -0.000 0.000 0.258 415 G HA3 0.862 4.822 3.960 -0.000 0.000 0.258 415 G C 0.450 175.361 174.900 0.018 0.000 1.356 415 G CA 0.600 45.714 45.100 0.022 0.000 1.052 415 G HN 1.769 nan 8.290 nan 0.000 0.550 416 S N -1.530 114.178 115.700 0.014 0.000 2.592 416 S HA 0.161 4.631 4.470 -0.000 0.000 0.271 416 S C 1.690 176.296 174.600 0.009 0.000 1.326 416 S CA -0.282 57.924 58.200 0.011 0.000 1.024 416 S CB 0.689 63.895 63.200 0.010 0.000 0.921 416 S HN 0.625 nan 8.310 nan 0.000 0.527 417 R N 1.254 121.758 120.500 0.008 0.000 2.299 417 R HA 0.039 4.379 4.340 -0.000 0.000 0.197 417 R C 1.484 177.786 176.300 0.004 0.000 0.971 417 R CA 1.129 57.232 56.100 0.006 0.000 1.030 417 R CB -1.032 29.271 30.300 0.005 0.000 0.932 417 R HN 0.686 nan 8.270 nan 0.000 0.477 418 T N -2.372 112.185 114.554 0.005 0.000 3.113 418 T HA -0.059 4.291 4.350 -0.000 0.000 0.256 418 T C 0.279 174.981 174.700 0.004 0.000 1.131 418 T CA 0.442 62.545 62.100 0.004 0.000 1.074 418 T CB 0.083 68.954 68.868 0.004 0.000 0.944 418 T HN 0.155 nan 8.240 nan 0.000 0.516 419 D N 2.079 122.481 120.400 0.004 0.000 2.502 419 D HA 0.297 4.937 4.640 -0.000 0.000 0.301 419 D C -1.548 174.753 176.300 0.002 0.000 1.202 419 D CA -2.510 51.492 54.000 0.003 0.000 0.878 419 D CB 1.388 42.191 40.800 0.005 0.000 1.062 419 D HN 0.027 nan 8.370 nan 0.000 0.499 420 P HA -0.149 nan 4.420 nan 0.000 0.222 420 P C 1.044 178.342 177.300 -0.004 0.000 1.147 420 P CA 0.677 63.776 63.100 -0.002 0.000 0.790 420 P CB 0.601 32.300 31.700 -0.002 0.000 0.780 421 K N -0.214 120.184 120.400 -0.002 0.000 2.001 421 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 421 K C 2.259 178.855 176.600 -0.005 0.000 1.048 421 K CA 1.850 58.135 56.287 -0.004 0.000 0.932 421 K CB -0.953 31.546 32.500 -0.001 0.000 0.715 421 K HN 0.099 nan 8.250 nan 0.000 0.437 422 T N 1.931 116.483 114.554 -0.004 0.000 2.720 422 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 422 T C 1.578 176.273 174.700 -0.009 0.000 1.037 422 T CA 1.386 63.483 62.100 -0.005 0.000 1.144 422 T CB -0.312 68.555 68.868 -0.002 0.000 0.864 422 T HN 0.208 nan 8.240 nan 0.000 0.444 423 N N 0.995 119.691 118.700 -0.007 0.000 2.149 423 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 423 N C 1.947 177.445 175.510 -0.020 0.000 1.019 423 N CA 1.209 54.252 53.050 -0.011 0.000 0.857 423 N CB -0.333 38.150 38.487 -0.006 0.000 0.997 423 N HN 0.495 nan 8.380 nan 0.000 0.426 424 E N 1.454 121.644 120.200 -0.017 0.000 2.047 424 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 424 E C 1.061 177.647 176.600 -0.023 0.000 0.987 424 E CA 1.324 57.712 56.400 -0.020 0.000 0.799 424 E CB -0.186 29.506 29.700 -0.014 0.000 0.752 424 E HN 0.149 nan 8.360 nan 0.000 0.449 425 D N -0.186 120.203 120.400 -0.019 0.000 2.104 425 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 425 D C 1.855 178.139 176.300 -0.026 0.000 0.994 425 D CA 1.262 55.251 54.000 -0.019 0.000 0.830 425 D CB -0.210 40.582 40.800 -0.014 0.000 0.959 425 D HN 0.262 nan 8.370 nan 0.000 0.452 426 M N 0.364 119.946 119.600 -0.029 0.000 2.117 426 M HA -0.094 4.386 4.480 -0.000 0.000 0.262 426 M C 2.348 178.608 176.300 -0.066 0.000 1.065 426 M CA 0.841 56.117 55.300 -0.040 0.000 1.114 426 M CB -1.168 31.413 32.600 -0.031 0.000 1.361 426 M HN -0.042 nan 8.290 nan 0.000 0.408 427 S N 0.656 116.316 115.700 -0.068 0.000 2.356 427 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 427 S C 1.990 176.546 174.600 -0.073 0.000 1.032 427 S CA 0.942 59.089 58.200 -0.089 0.000 1.005 427 S CB -0.230 62.928 63.200 -0.069 0.000 0.867 427 S HN 0.484 nan 8.310 nan 0.000 0.449 428 L N 0.871 122.064 121.223 -0.049 0.000 2.083 428 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 428 L C 2.438 179.289 176.870 -0.033 0.000 1.083 428 L CA 1.437 56.255 54.840 -0.037 0.000 0.752 428 L CB -0.526 41.519 42.059 -0.025 0.000 0.899 428 L HN 0.363 nan 8.230 nan 0.000 0.433 429 S N -0.084 115.596 115.700 -0.033 0.000 2.368 429 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 429 S C 1.718 176.301 174.600 -0.028 0.000 1.030 429 S CA 0.852 59.038 58.200 -0.022 0.000 0.999 429 S CB -0.188 63.000 63.200 -0.019 0.000 0.844 429 S HN 0.231 nan 8.310 nan 0.000 0.459 430 L N 1.098 122.286 121.223 -0.058 0.000 2.265 430 L HA 0.141 4.481 4.340 -0.000 0.000 0.215 430 L C 1.435 178.275 176.870 -0.049 0.000 1.117 430 L CA 1.268 56.065 54.840 -0.073 0.000 0.782 430 L CB -2.008 39.953 42.059 -0.163 0.000 0.914 430 L HN 0.473 nan 8.230 nan 0.000 0.441 431 G N -0.402 108.371 108.800 -0.045 0.000 2.781 431 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.683 431 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.683 431 G C -0.252 174.617 174.900 -0.052 0.000 1.390 431 G CA -0.531 44.551 45.100 -0.031 0.000 0.850 431 G HN 0.241 nan 8.290 nan 0.000 0.557 432 E N -0.232 119.944 120.200 -0.040 0.000 2.254 432 E HA 0.675 5.025 4.350 -0.000 0.000 0.258 432 E C 0.294 176.889 176.600 -0.009 0.000 1.033 432 E CA -0.511 55.851 56.400 -0.063 0.000 0.893 432 E CB 1.424 31.101 29.700 -0.039 0.000 1.204 432 E HN 0.842 nan 8.360 nan 0.000 0.425 433 H N -1.569 117.422 119.070 -0.132 0.000 2.961 433 H HA 0.483 5.039 4.556 -0.000 0.000 0.371 433 H C -1.279 173.843 175.328 -0.343 0.000 1.190 433 H CA -0.984 54.918 56.048 -0.243 0.000 1.138 433 H CB 1.899 31.522 29.762 -0.232 0.000 1.816 433 H HN 0.388 nan 8.280 nan 0.000 0.551 434 E N 2.683 122.650 120.200 -0.387 0.000 2.151 434 E HA 0.459 4.809 4.350 -0.000 0.000 0.275 434 E C -1.496 174.689 176.600 -0.693 0.000 0.936 434 E CA -0.860 55.301 56.400 -0.398 0.000 0.777 434 E CB 2.004 31.525 29.700 -0.299 0.000 1.108 434 E HN 0.403 nan 8.360 nan 0.000 0.401 435 V N 3.570 123.128 119.914 -0.592 0.000 3.040 435 V HA 0.325 4.445 4.120 -0.000 0.000 0.312 435 V C -0.945 174.974 176.094 -0.292 0.000 1.115 435 V CA -0.736 61.170 62.300 -0.656 0.000 0.998 435 V CB 2.306 33.457 31.823 -1.120 0.000 1.042 435 V HN 0.736 nan 8.190 nan 0.000 0.433 436 E N 2.393 122.505 120.200 -0.147 0.000 2.145 436 E HA 0.640 4.990 4.350 -0.000 0.000 0.270 436 E C -0.740 175.906 176.600 0.077 0.000 0.906 436 E CA -0.470 55.917 56.400 -0.023 0.000 0.761 436 E CB 1.461 31.156 29.700 -0.008 0.000 1.116 436 E HN 0.492 nan 8.360 nan 0.000 0.408 437 R N 2.634 123.172 120.500 0.063 0.000 2.888 437 R HA 0.314 4.654 4.340 -0.000 0.000 0.264 437 R C -1.171 175.168 176.300 0.066 0.000 1.045 437 R CA -0.474 55.686 56.100 0.100 0.000 0.962 437 R CB 1.261 31.636 30.300 0.124 0.000 1.210 437 R HN 0.768 nan 8.270 nan 0.000 0.479 456 R N 1.693 122.181 120.500 -0.020 0.000 2.255 456 R HA 0.622 4.962 4.340 -0.000 0.000 0.326 456 R C -1.228 175.045 176.300 -0.045 0.000 0.986 456 R CA -0.343 55.729 56.100 -0.046 0.000 0.847 456 R CB 2.049 32.319 30.300 -0.051 0.000 1.111 456 R HN -0.089 nan 8.270 nan 0.000 0.452 457 V N 3.540 123.410 119.914 -0.072 0.000 2.760 457 V HA 0.460 4.579 4.120 -0.000 0.000 0.309 457 V C -0.398 175.658 176.094 -0.063 0.000 1.077 457 V CA -0.933 61.339 62.300 -0.046 0.000 0.910 457 V CB 2.296 34.118 31.823 -0.003 0.000 1.008 457 V HN 0.678 nan 8.190 nan 0.000 0.424 458 R N 2.823 123.307 120.500 -0.026 0.000 2.393 458 R HA 0.741 5.081 4.340 -0.000 0.000 0.310 458 R C -0.842 175.474 176.300 0.028 0.000 0.968 458 R CA -0.441 55.651 56.100 -0.013 0.000 0.867 458 R CB 1.662 31.945 30.300 -0.028 0.000 1.124 458 R HN 0.976 nan 8.270 nan 0.000 0.450 459 E N 2.480 122.712 120.200 0.054 0.000 2.401 459 E HA 0.346 4.696 4.350 -0.000 0.000 0.280 459 E C -1.129 175.426 176.600 -0.074 0.000 1.039 459 E CA -1.238 55.178 56.400 0.026 0.000 0.814 459 E CB 1.065 30.831 29.700 0.110 0.000 1.275 459 E HN 0.125 nan 8.360 nan 0.000 0.448 460 R N 1.013 121.482 120.500 -0.053 0.000 2.491 460 R HA 0.120 4.460 4.340 -0.000 0.000 0.283 460 R C 0.856 177.094 176.300 -0.104 0.000 1.072 460 R CA -0.163 55.885 56.100 -0.086 0.000 1.048 460 R CB 0.823 31.091 30.300 -0.053 0.000 0.983 460 R HN 0.520 nan 8.270 nan 0.000 0.450 461 V N 2.439 122.250 119.914 -0.172 0.000 2.515 461 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 461 V C 0.895 177.038 176.094 0.081 0.000 1.058 461 V CA 1.332 63.590 62.300 -0.070 0.000 1.064 461 V CB 0.087 31.852 31.823 -0.098 0.000 0.675 461 V HN 0.393 nan 8.190 nan 0.000 0.461 462 V N 0.923 120.788 119.914 -0.081 0.000 2.447 462 V HA 0.371 4.491 4.120 -0.000 0.000 0.292 462 V C -0.158 175.863 176.094 -0.122 0.000 1.021 462 V CA -0.479 61.723 62.300 -0.163 0.000 0.850 462 V CB 1.591 33.121 31.823 -0.489 0.000 1.005 462 V HN 0.239 nan 8.190 nan 0.000 0.426 463 M N 5.443 124.999 119.600 -0.073 0.000 2.240 463 M HA 0.210 4.690 4.480 -0.000 0.000 0.333 463 M C -1.371 174.899 176.300 -0.050 0.000 1.110 463 M CA -1.146 54.123 55.300 -0.052 0.000 1.173 463 M CB 1.053 33.631 32.600 -0.037 0.000 1.458 463 M HN 0.318 nan 8.290 nan 0.000 0.458 464 P HA -0.133 nan 4.420 nan 0.000 0.216 464 P C 0.787 178.078 177.300 -0.015 0.000 1.150 464 P CA 1.558 64.641 63.100 -0.029 0.000 0.837 464 P CB 0.004 31.691 31.700 -0.022 0.000 0.786 465 A N 0.061 122.874 122.820 -0.012 0.000 1.933 465 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 465 A C 2.114 179.702 177.584 0.007 0.000 1.175 465 A CA 1.595 53.630 52.037 -0.004 0.000 0.628 465 A CB -1.155 17.841 19.000 -0.007 0.000 0.814 465 A HN 0.190 nan 8.150 nan 0.000 0.444 466 E N -0.269 119.934 120.200 0.006 0.000 2.077 466 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 466 E C 1.833 178.481 176.600 0.080 0.000 0.989 466 E CA 1.280 57.703 56.400 0.040 0.000 0.800 466 E CB -0.315 29.410 29.700 0.042 0.000 0.746 466 E HN 0.714 nan 8.360 nan 0.000 0.452 467 I N 0.895 121.497 120.570 0.052 0.000 2.493 467 I HA -0.175 3.994 4.170 -0.000 0.000 0.254 467 I C 2.354 178.506 176.117 0.057 0.000 1.160 467 I CA 0.630 61.976 61.300 0.076 0.000 1.445 467 I CB -0.181 37.830 38.000 0.019 0.000 1.086 467 I HN 0.043 nan 8.210 nan 0.000 0.433 468 A N 0.323 123.163 122.820 0.033 0.000 2.167 468 A HA -0.027 4.292 4.320 -0.000 0.000 0.214 468 A C 1.696 179.295 177.584 0.025 0.000 1.151 468 A CA 0.885 52.936 52.037 0.024 0.000 0.735 468 A CB -0.275 18.733 19.000 0.013 0.000 0.802 468 A HN 0.374 nan 8.150 nan 0.000 0.467 469 N N -0.321 118.398 118.700 0.031 0.000 2.236 469 N HA 0.190 4.930 4.740 -0.000 0.000 0.196 469 N C -0.118 175.409 175.510 0.029 0.000 1.114 469 N CA -0.032 53.033 53.050 0.025 0.000 0.859 469 N CB 0.245 38.744 38.487 0.019 0.000 0.982 469 N HN 0.388 nan 8.380 nan 0.000 0.493 470 L N 3.283 124.533 121.223 0.045 0.000 2.490 470 L HA 0.099 4.439 4.340 -0.000 0.000 0.274 470 L C -1.637 175.242 176.870 0.015 0.000 1.201 470 L CA -0.863 53.998 54.840 0.035 0.000 0.869 470 L CB 0.123 42.217 42.059 0.058 0.000 1.123 470 L HN -0.083 nan 8.230 nan 0.000 0.484 471 P HA 0.155 nan 4.420 nan 0.000 0.279 471 P C -0.963 176.335 177.300 -0.003 0.000 1.252 471 P CA -0.720 62.378 63.100 -0.002 0.000 0.811 471 P CB 0.827 32.522 31.700 -0.009 0.000 1.035 472 D N 0.859 121.259 120.400 0.000 0.000 2.364 472 D HA 0.011 4.651 4.640 -0.000 0.000 0.236 472 D C 1.175 177.473 176.300 -0.003 0.000 1.221 472 D CA 0.212 54.214 54.000 0.002 0.000 0.891 472 D CB 0.103 40.905 40.800 0.004 0.000 1.190 472 D HN 0.436 nan 8.370 nan 0.000 0.449 473 L N -0.879 120.345 121.223 0.001 0.000 3.843 473 L HA -0.243 4.097 4.340 -0.000 0.000 0.411 473 L C -0.196 176.664 176.870 -0.017 0.000 1.205 473 L CA 0.654 55.493 54.840 -0.002 0.000 0.945 473 L CB -2.040 40.019 42.059 -0.000 0.000 1.929 473 L HN 0.315 nan 8.230 nan 0.000 0.934 474 T N -0.404 114.134 114.554 -0.027 0.000 2.879 474 T HA 0.803 5.153 4.350 -0.000 0.000 0.290 474 T C -0.092 174.563 174.700 -0.075 0.000 0.993 474 T CA 0.085 62.147 62.100 -0.064 0.000 0.975 474 T CB 2.105 70.927 68.868 -0.076 0.000 0.981 474 T HN 0.369 nan 8.240 nan 0.000 0.439 475 A N 2.583 125.335 122.820 -0.115 0.000 2.539 475 A HA 0.791 5.110 4.320 -0.000 0.000 0.296 475 A C -1.913 175.570 177.584 -0.168 0.000 1.073 475 A CA -0.786 51.199 52.037 -0.087 0.000 0.700 475 A CB 1.161 20.149 19.000 -0.019 0.000 1.296 475 A HN 0.789 nan 8.150 nan 0.000 0.405 476 Y N 0.656 120.943 120.300 -0.022 0.000 2.326 476 Y HA 0.462 5.012 4.550 -0.000 0.000 0.337 476 Y C 0.144 176.001 175.900 -0.072 0.000 1.023 476 Y CA -0.060 58.023 58.100 -0.030 0.000 1.143 476 Y CB 1.790 40.241 38.460 -0.014 0.000 1.183 476 Y HN 0.364 nan 8.280 nan 0.000 0.485 477 V N 3.333 123.255 119.914 0.013 0.000 2.357 477 V HA 0.572 4.692 4.120 -0.000 0.000 0.284 477 V C 0.229 176.205 176.094 -0.197 0.000 1.018 477 V CA -0.665 61.529 62.300 -0.176 0.000 0.841 477 V CB 1.360 32.999 31.823 -0.307 0.000 0.991 477 V HN 0.935 nan 8.190 nan 0.000 0.437 478 G N 4.497 113.177 108.800 -0.200 0.000 3.378 478 G HA2 0.545 4.505 3.960 -0.000 0.000 0.332 478 G HA3 0.545 4.505 3.960 -0.000 0.000 0.332 478 G C -0.662 174.197 174.900 -0.069 0.000 1.490 478 G CA -0.301 44.744 45.100 -0.092 0.000 1.068 478 G HN 0.352 nan 8.290 nan 0.000 0.492 479 F N 1.778 121.774 119.950 0.077 0.000 2.496 479 F HA 0.447 4.974 4.527 -0.000 0.000 0.344 479 F C 1.314 177.148 175.800 0.057 0.000 1.155 479 F CA -0.178 57.864 58.000 0.069 0.000 1.302 479 F CB 0.921 39.957 39.000 0.061 0.000 1.159 479 F HN 0.543 nan 8.300 nan 0.000 0.595 480 A N 1.850 124.844 122.820 0.290 0.000 2.507 480 A HA 0.478 4.798 4.320 -0.000 0.000 0.235 480 A C 0.849 178.505 177.584 0.120 0.000 1.070 480 A CA 0.479 52.611 52.037 0.158 0.000 0.768 480 A CB -0.794 18.274 19.000 0.113 0.000 1.011 480 A HN 1.668 nan 8.150 nan 0.000 0.502 481 G N 0.712 109.562 108.800 0.083 0.000 2.568 481 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.222 481 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.222 481 G C -0.021 174.919 174.900 0.067 0.000 1.321 481 G CA 0.205 45.342 45.100 0.061 0.000 0.893 481 G HN 1.633 nan 8.290 nan 0.000 0.569 482 N N 1.673 120.405 118.700 0.053 0.000 3.188 482 N HA 0.365 5.105 4.740 -0.000 0.000 0.279 482 N C 0.293 175.836 175.510 0.056 0.000 1.213 482 N CA 0.019 53.100 53.050 0.052 0.000 1.138 482 N CB -0.305 38.205 38.487 0.038 0.000 1.417 482 N HN 0.628 nan 8.380 nan 0.000 0.526 483 R N 1.263 121.811 120.500 0.079 0.000 2.744 483 R HA 0.535 4.875 4.340 -0.000 0.000 0.279 483 R C -2.670 173.682 176.300 0.088 0.000 0.977 483 R CA -1.668 54.487 56.100 0.091 0.000 0.906 483 R CB 1.209 31.600 30.300 0.152 0.000 1.197 483 R HN 0.280 nan 8.270 nan 0.000 0.463 484 P HA 0.231 nan 4.420 nan 0.000 0.274 484 P C -0.048 177.304 177.300 0.085 0.000 1.237 484 P CA -0.429 62.706 63.100 0.059 0.000 0.793 484 P CB 0.791 32.507 31.700 0.026 0.000 0.977 485 I N -1.816 118.807 120.570 0.089 0.000 2.783 485 I HA 0.817 4.987 4.170 -0.000 0.000 0.312 485 I C -0.517 175.676 176.117 0.127 0.000 0.988 485 I CA -1.156 60.202 61.300 0.098 0.000 1.182 485 I CB 1.579 39.647 38.000 0.113 0.000 1.368 485 I HN 0.396 nan 8.210 nan 0.000 0.511 486 A N 3.282 126.175 122.820 0.123 0.000 2.574 486 A HA 0.507 4.826 4.320 -0.000 0.000 0.297 486 A C -1.100 176.495 177.584 0.019 0.000 1.062 486 A CA -0.865 51.230 52.037 0.096 0.000 0.686 486 A CB 1.571 20.605 19.000 0.057 0.000 1.285 486 A HN 0.795 nan 8.150 nan 0.000 0.403 487 K N 2.073 122.421 120.400 -0.087 0.000 2.263 487 K HA 0.570 4.890 4.320 -0.000 0.000 0.282 487 K C -1.253 175.233 176.600 -0.190 0.000 1.089 487 K CA -0.160 55.908 56.287 -0.365 0.000 0.907 487 K CB 0.572 32.779 32.500 -0.488 0.000 1.148 487 K HN 0.461 nan 8.250 nan 0.000 0.470 488 V N 6.247 126.063 119.914 -0.164 0.000 2.715 488 V HA 0.480 4.599 4.120 -0.000 0.000 0.310 488 V C -2.211 173.836 176.094 -0.079 0.000 1.054 488 V CA -1.994 60.255 62.300 -0.085 0.000 0.928 488 V CB 1.744 33.543 31.823 -0.040 0.000 1.007 488 V HN 0.828 nan 8.190 nan 0.000 0.437 489 P HA 0.316 nan 4.420 nan 0.000 0.286 489 P C -0.973 176.319 177.300 -0.014 0.000 1.269 489 P CA -0.312 62.767 63.100 -0.035 0.000 0.787 489 P CB 1.477 33.161 31.700 -0.026 0.000 0.920 490 L N 3.651 124.869 121.223 -0.009 0.000 2.260 490 L HA 0.245 4.585 4.340 -0.000 0.000 0.289 490 L C 0.996 177.874 176.870 0.013 0.000 1.057 490 L CA -0.574 54.273 54.840 0.010 0.000 0.811 490 L CB 0.544 42.613 42.059 0.015 0.000 1.184 490 L HN 0.493 nan 8.230 nan 0.000 0.429 491 E N 5.677 125.889 120.200 0.019 0.000 2.283 491 E HA 0.265 4.615 4.350 -0.000 0.000 0.278 491 E C -0.733 175.877 176.600 0.016 0.000 1.027 491 E CA -0.665 55.741 56.400 0.010 0.000 0.843 491 E CB 1.348 31.050 29.700 0.003 0.000 1.062 491 E HN 0.556 nan 8.360 nan 0.000 0.401 492 I N 4.108 124.679 120.570 0.002 0.000 2.293 492 I HA 0.084 4.254 4.170 -0.000 0.000 0.299 492 I C 0.601 176.694 176.117 -0.040 0.000 1.153 492 I CA -0.234 61.069 61.300 0.005 0.000 1.302 492 I CB -0.061 37.937 38.000 -0.002 0.000 1.460 492 I HN 0.505 nan 8.210 nan 0.000 0.552 493 K N 5.102 125.470 120.400 -0.053 0.000 2.270 493 K HA 0.181 4.501 4.320 -0.000 0.000 0.276 493 K C -0.199 176.160 176.600 -0.402 0.000 1.023 493 K CA -0.566 55.563 56.287 -0.264 0.000 0.955 493 K CB 0.796 33.068 32.500 -0.379 0.000 0.975 493 K HN 0.394 nan 8.250 nan 0.000 0.471 494 Q N 3.091 122.589 119.800 -0.505 0.000 2.257 494 Q HA 0.282 4.622 4.340 -0.000 0.000 0.255 494 Q C -1.113 174.503 176.000 -0.640 0.000 0.920 494 Q CA -0.129 55.440 55.803 -0.390 0.000 0.927 494 Q CB 1.001 29.608 28.738 -0.217 0.000 1.229 494 Q HN 0.410 nan 8.270 nan 0.000 0.433 495 F N 0.493 120.379 119.950 -0.107 0.000 2.493 495 F HA 0.508 5.035 4.527 -0.000 0.000 0.329 495 F C 0.484 176.216 175.800 -0.113 0.000 1.126 495 F CA -1.101 56.831 58.000 -0.115 0.000 0.937 495 F CB 1.451 40.368 39.000 -0.140 0.000 1.146 495 F HN 0.492 nan 8.300 nan 0.000 0.442 496 A N 2.829 125.688 122.820 0.064 0.000 2.511 496 A HA 0.138 4.458 4.320 -0.000 0.000 0.242 496 A C 0.250 177.830 177.584 -0.007 0.000 1.069 496 A CA -0.417 51.629 52.037 0.016 0.000 0.763 496 A CB -0.099 18.911 19.000 0.016 0.000 1.001 496 A HN 0.894 nan 8.150 nan 0.000 0.498 497 N N 1.649 120.328 118.700 -0.036 0.000 2.671 497 N HA 0.064 4.804 4.740 -0.000 0.000 0.274 497 N C 0.604 176.079 175.510 -0.058 0.000 1.188 497 N CA -0.169 52.840 53.050 -0.068 0.000 1.065 497 N CB 0.317 38.764 38.487 -0.068 0.000 1.415 497 N HN 0.665 nan 8.380 nan 0.000 0.511 498 R N 1.559 122.025 120.500 -0.056 0.000 3.298 498 R HA 0.121 4.461 4.340 -0.000 0.000 0.249 498 R C -0.176 176.085 176.300 -0.064 0.000 1.563 498 R CA 0.025 56.101 56.100 -0.039 0.000 1.378 498 R CB -0.078 30.221 30.300 -0.003 0.000 1.250 498 R HN 0.475 nan 8.270 nan 0.000 0.580 499 Q N 0.530 120.280 119.800 -0.084 0.000 2.938 499 Q HA 0.111 4.451 4.340 -0.000 0.000 0.230 499 Q C -2.962 172.976 176.000 -0.103 0.000 1.008 499 Q CA -1.264 54.481 55.803 -0.098 0.000 0.925 499 Q CB 1.789 30.447 28.738 -0.134 0.000 2.116 499 Q HN 0.153 nan 8.270 nan 0.000 0.515 500 P HA 0.113 nan 4.420 nan 0.000 0.275 500 P C -0.346 176.912 177.300 -0.070 0.000 1.227 500 P CA 0.365 63.424 63.100 -0.068 0.000 0.781 500 P CB 1.293 32.958 31.700 -0.058 0.000 0.906 501 A N 3.532 126.328 122.820 -0.040 0.000 1.930 501 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 501 A C 0.657 178.299 177.584 0.097 0.000 1.175 501 A CA 1.249 53.273 52.037 -0.022 0.000 0.627 501 A CB -0.588 18.392 19.000 -0.033 0.000 0.815 501 A HN 0.582 nan 8.150 nan 0.000 0.443 502 F N -1.695 118.210 119.950 -0.075 0.000 2.588 502 F HA 0.567 5.094 4.527 -0.000 0.000 0.310 502 F C -1.271 174.510 175.800 -0.033 0.000 1.082 502 F CA -1.436 56.537 58.000 -0.045 0.000 0.929 502 F CB 2.193 41.172 39.000 -0.034 0.000 1.254 502 F HN -0.222 nan 8.300 nan 0.000 0.455 503 V N 5.003 124.482 119.914 -0.726 0.000 2.443 503 V HA 0.171 4.291 4.120 -0.000 0.000 0.272 503 V C -0.231 175.368 176.094 -0.824 0.000 1.002 503 V CA -0.903 61.064 62.300 -0.555 0.000 0.840 503 V CB 1.090 32.738 31.823 -0.291 0.000 1.042 503 V HN 0.770 nan 8.190 nan 0.000 0.446 504 E N 2.638 122.319 120.200 -0.864 0.000 2.820 504 E HA 0.006 4.356 4.350 -0.000 0.000 0.251 504 E C 0.993 177.441 176.600 -0.253 0.000 0.944 504 E CA 0.680 56.763 56.400 -0.530 0.000 0.955 504 E CB 0.925 30.561 29.700 -0.107 0.000 0.904 504 E HN 0.825 nan 8.360 nan 0.000 0.513 505 G N 0.000 108.713 108.800 -0.145 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 45.057 45.100 -0.071 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925