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 1e9s_1_D DATA FIRST_RESID 77 DATA SEQUENCE GEFGGAPFKR FLRGTRIVSG GKLKRMTREK AKQVTVAGVP MPRDAEPRHL DATA SEQUENCE LVNGATGTGK SVLLRELAYT GLLRGDRMVI VDPNGDMLSK FGRDKDIILN DATA SEQUENCE PYDQRTKGWS FFNEIRNDYD WQRYALSVVP RGKTDEAEEW ASYGRLLLRE DATA SEQUENCE TAKKLALIGT PSMRELFHWT TIATFDDLRG FLEGTLAESL FAGSNEASKA DATA SEQUENCE LTSARFVLSD KLPEHVTMPD GDFSIRSWLE DPNGGNLFIT WREDMGPALR DATA SEQUENCE PLISAWVDVV CTSILSLPEE PKRRLWLFID ELASLEKLAS LADALTKGRK DATA SEQUENCE AGLRVVAGLQ STSQLDDVYG VKEAQTLRAS FRSLVVLGGS RTDPKTNEDM DATA SEQUENCE SLSLGEHEVE RDRYSXXXXX XXXXXXALER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVE 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 0.000 174.939 174.900 0.066 0.000 0.946 77 G CA 0.000 45.118 45.100 0.030 0.000 0.502 78 E N -0.715 119.566 120.200 0.134 0.000 2.568 78 E HA 0.290 4.640 4.350 0.000 0.000 0.220 78 E C -0.181 176.568 176.600 0.249 0.000 0.869 78 E CA -0.648 55.842 56.400 0.149 0.000 1.268 78 E CB 1.126 30.906 29.700 0.134 0.000 1.252 78 E HN 0.223 nan 8.360 nan 0.000 0.606 79 F N 1.151 121.192 119.950 0.151 0.000 2.394 79 F HA 0.503 5.030 4.527 0.000 0.000 0.340 79 F C 1.301 177.196 175.800 0.160 0.000 1.105 79 F CA -0.542 57.582 58.000 0.206 0.000 1.124 79 F CB 1.389 40.623 39.000 0.391 0.000 1.145 79 F HN -0.044 nan 8.300 nan 0.000 0.505 80 G N 3.620 112.086 108.800 -0.557 0.000 2.511 80 G HA2 0.148 4.108 3.960 0.000 0.000 0.217 80 G HA3 0.148 4.108 3.960 0.000 0.000 0.217 80 G C 0.727 175.235 174.900 -0.654 0.000 1.133 80 G CA 0.403 45.211 45.100 -0.486 0.000 0.792 80 G HN 0.984 nan 8.290 nan 0.000 0.539 81 G N -0.368 107.591 108.800 -1.402 0.000 2.563 81 G HA2 0.521 4.481 3.960 0.000 0.000 0.283 81 G HA3 0.521 4.481 3.960 0.000 0.000 0.283 81 G C 0.377 175.212 174.900 -0.108 0.000 1.309 81 G CA 0.011 44.745 45.100 -0.610 0.000 1.022 81 G HN 0.565 nan 8.290 nan 0.000 0.501 82 A N 0.309 123.200 122.820 0.118 0.000 2.587 82 A HA 0.398 4.718 4.320 0.000 0.000 0.235 82 A C -1.924 175.865 177.584 0.342 0.000 1.044 82 A CA -0.266 51.880 52.037 0.182 0.000 0.754 82 A CB -0.440 18.663 19.000 0.172 0.000 0.968 82 A HN 0.423 nan 8.150 nan 0.000 0.509 83 P HA 0.344 nan 4.420 nan 0.000 0.269 83 P C -0.553 176.902 177.300 0.258 0.000 1.209 83 P CA 0.268 63.487 63.100 0.199 0.000 0.776 83 P CB 0.326 32.042 31.700 0.027 0.000 0.876 84 F N 0.016 120.047 119.950 0.134 0.000 2.594 84 F HA 0.619 5.146 4.527 0.000 0.000 0.335 84 F C 1.255 177.089 175.800 0.057 0.000 1.058 84 F CA -1.197 56.850 58.000 0.078 0.000 0.981 84 F CB 1.120 40.136 39.000 0.027 0.000 1.289 84 F HN 0.221 nan 8.300 nan 0.000 0.490 85 K N 0.121 120.674 120.400 0.255 0.000 2.353 85 K HA 0.371 4.691 4.320 0.000 0.000 0.195 85 K C -0.068 176.637 176.600 0.175 0.000 1.031 85 K CA -0.079 56.294 56.287 0.143 0.000 1.079 85 K CB 0.584 33.158 32.500 0.124 0.000 0.857 85 K HN 0.756 nan 8.250 nan 0.000 0.535 86 R N 0.621 121.315 120.500 0.323 0.000 3.170 86 R HA 0.078 4.418 4.340 0.000 0.000 0.257 86 R C -2.049 174.408 176.300 0.261 0.000 1.139 86 R CA -0.569 55.687 56.100 0.261 0.000 1.158 86 R CB 0.562 30.931 30.300 0.115 0.000 1.269 86 R HN 0.158 nan 8.270 nan 0.000 0.459 87 F N 6.531 126.582 119.950 0.168 0.000 2.444 87 F HA 0.267 4.794 4.527 0.000 0.000 0.360 87 F C 0.258 175.999 175.800 -0.098 0.000 1.106 87 F CA -0.219 57.732 58.000 -0.081 0.000 1.170 87 F CB 0.696 39.726 39.000 0.050 0.000 1.113 87 F HN 0.580 nan 8.300 nan 0.000 0.521 88 L N 5.284 126.027 121.223 -0.800 0.000 2.071 88 L HA 0.167 4.507 4.340 0.000 0.000 0.201 88 L C 0.647 177.043 176.870 -0.789 0.000 1.076 88 L CA 0.633 55.116 54.840 -0.594 0.000 0.755 88 L CB -0.230 41.583 42.059 -0.409 0.000 0.915 88 L HN 0.670 nan 8.230 nan 0.000 0.445 89 R N -1.988 117.843 120.500 -1.115 0.000 2.741 89 R HA 0.631 4.971 4.340 0.000 0.000 0.274 89 R C -0.455 175.572 176.300 -0.454 0.000 1.029 89 R CA -0.329 55.374 56.100 -0.662 0.000 0.880 89 R CB 1.008 31.150 30.300 -0.264 0.000 1.264 89 R HN 0.110 nan 8.270 nan 0.000 0.465 90 G N 0.141 108.950 108.800 0.016 0.000 2.418 90 G HA2 -0.119 3.841 3.960 0.000 0.000 0.206 90 G HA3 -0.119 3.841 3.960 0.000 0.000 0.206 90 G C -1.017 174.073 174.900 0.317 0.000 1.202 90 G CA -0.351 44.830 45.100 0.135 0.000 1.061 90 G HN 0.711 nan 8.290 nan 0.000 0.563 91 T N 2.052 116.754 114.554 0.247 0.000 2.832 91 T HA 0.575 4.925 4.350 0.000 0.000 0.296 91 T C 0.711 175.525 174.700 0.190 0.000 0.968 91 T CA 0.082 62.286 62.100 0.173 0.000 1.107 91 T CB 0.690 69.600 68.868 0.072 0.000 0.916 91 T HN 0.611 nan 8.240 nan 0.000 0.517 92 R N 2.188 122.698 120.500 0.018 0.000 2.486 92 R HA 0.685 5.025 4.340 0.000 0.000 0.286 92 R C -0.483 175.808 176.300 -0.016 0.000 0.999 92 R CA -0.720 55.282 56.100 -0.164 0.000 0.993 92 R CB 1.427 31.529 30.300 -0.330 0.000 1.084 92 R HN 0.572 nan 8.270 nan 0.000 0.487 93 I N 3.121 123.711 120.570 0.032 0.000 2.466 93 I HA 0.370 4.541 4.170 0.000 0.000 0.289 93 I C -0.715 175.462 176.117 0.099 0.000 1.026 93 I CA -0.866 60.501 61.300 0.111 0.000 1.078 93 I CB 1.478 39.608 38.000 0.215 0.000 1.249 93 I HN 0.487 nan 8.210 nan 0.000 0.429 94 V N 3.140 123.102 119.914 0.079 0.000 3.204 94 V HA 0.717 4.837 4.120 0.000 0.000 0.316 94 V C 0.167 176.301 176.094 0.067 0.000 1.160 94 V CA -0.437 61.900 62.300 0.060 0.000 1.044 94 V CB 1.310 33.154 31.823 0.035 0.000 1.136 94 V HN 0.794 nan 8.190 nan 0.000 0.455 95 S N 0.275 116.004 115.700 0.049 0.000 2.600 95 S HA 0.416 4.886 4.470 0.000 0.000 0.265 95 S C 1.331 175.951 174.600 0.033 0.000 1.325 95 S CA 0.111 58.334 58.200 0.038 0.000 1.002 95 S CB 0.761 63.978 63.200 0.027 0.000 0.921 95 S HN 1.721 nan 8.310 nan 0.000 0.554 96 G N 0.763 109.575 108.800 0.020 0.000 2.422 96 G HA2 0.009 3.969 3.960 0.000 0.000 0.218 96 G HA3 0.009 3.969 3.960 0.000 0.000 0.218 96 G C 1.304 176.223 174.900 0.032 0.000 1.146 96 G CA 0.540 45.652 45.100 0.019 0.000 0.769 96 G HN 0.968 nan 8.290 nan 0.000 0.547 97 G N 0.510 109.325 108.800 0.026 0.000 2.421 97 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 97 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 97 G C 1.689 176.609 174.900 0.033 0.000 1.171 97 G CA 1.247 46.363 45.100 0.027 0.000 0.775 97 G HN 0.518 nan 8.290 nan 0.000 0.543 98 K N -0.339 120.080 120.400 0.032 0.000 2.148 98 K HA 0.043 4.363 4.320 0.000 0.000 0.204 98 K C 2.371 178.998 176.600 0.046 0.000 1.050 98 K CA 0.833 57.139 56.287 0.033 0.000 0.942 98 K CB -0.175 32.341 32.500 0.026 0.000 0.724 98 K HN 0.273 nan 8.250 nan 0.000 0.446 99 L N 1.507 122.765 121.223 0.060 0.000 2.072 99 L HA -0.085 4.255 4.340 0.000 0.000 0.205 99 L C 1.713 178.648 176.870 0.107 0.000 1.079 99 L CA 1.718 56.612 54.840 0.090 0.000 0.752 99 L CB -0.198 41.922 42.059 0.102 0.000 0.906 99 L HN 0.003 nan 8.230 nan 0.000 0.436 100 K N -0.730 119.725 120.400 0.092 0.000 2.147 100 K HA -0.142 4.178 4.320 0.000 0.000 0.205 100 K C 2.205 178.843 176.600 0.063 0.000 1.049 100 K CA 1.468 57.810 56.287 0.091 0.000 0.936 100 K CB -0.147 32.397 32.500 0.074 0.000 0.722 100 K HN 0.329 nan 8.250 nan 0.000 0.446 101 R N 0.126 120.655 120.500 0.049 0.000 2.093 101 R HA 0.074 4.414 4.340 0.000 0.000 0.224 101 R C 2.279 178.598 176.300 0.031 0.000 1.101 101 R CA 1.027 57.148 56.100 0.034 0.000 0.979 101 R CB -0.056 30.260 30.300 0.027 0.000 0.877 101 R HN 0.183 nan 8.270 nan 0.000 0.441 102 M N -0.143 119.481 119.600 0.040 0.000 2.132 102 M HA -0.102 4.378 4.480 0.000 0.000 0.263 102 M C 2.182 178.499 176.300 0.028 0.000 1.065 102 M CA 1.942 57.264 55.300 0.036 0.000 1.122 102 M CB -0.244 32.384 32.600 0.047 0.000 1.365 102 M HN 0.196 nan 8.290 nan 0.000 0.411 103 T N -1.951 112.627 114.554 0.039 0.000 3.067 103 T HA 0.034 4.384 4.350 0.000 0.000 0.257 103 T C 0.961 175.642 174.700 -0.032 0.000 1.105 103 T CA -0.204 61.889 62.100 -0.011 0.000 1.104 103 T CB -0.284 68.573 68.868 -0.018 0.000 0.925 103 T HN 0.211 nan 8.240 nan 0.000 0.498 104 R N 1.757 122.257 120.500 0.001 0.000 2.538 104 R HA 0.221 4.561 4.340 0.000 0.000 0.282 104 R C -0.334 175.959 176.300 -0.011 0.000 1.009 104 R CA 0.363 56.462 56.100 -0.001 0.000 1.063 104 R CB 0.067 30.375 30.300 0.014 0.000 0.945 104 R HN 0.456 nan 8.270 nan 0.000 0.414 105 E N 2.252 122.442 120.200 -0.015 0.000 2.343 105 E HA 0.119 4.470 4.350 0.000 0.000 0.270 105 E C -0.207 176.387 176.600 -0.009 0.000 0.895 105 E CA -0.821 55.569 56.400 -0.017 0.000 0.767 105 E CB 1.771 31.453 29.700 -0.030 0.000 1.248 105 E HN 0.640 nan 8.360 nan 0.000 0.440 106 K N 1.776 122.171 120.400 -0.008 0.000 2.063 106 K HA -0.049 4.271 4.320 0.000 0.000 0.208 106 K C 0.489 177.086 176.600 -0.004 0.000 1.048 106 K CA 1.373 57.657 56.287 -0.004 0.000 0.928 106 K CB -0.081 32.416 32.500 -0.005 0.000 0.713 106 K HN 0.429 nan 8.250 nan 0.000 0.442 107 A N 1.861 124.677 122.820 -0.007 0.000 2.425 107 A HA 0.096 4.416 4.320 0.000 0.000 0.242 107 A C -0.703 176.881 177.584 -0.001 0.000 1.077 107 A CA -0.151 51.883 52.037 -0.005 0.000 0.781 107 A CB 0.140 19.135 19.000 -0.008 0.000 1.020 107 A HN 0.375 nan 8.150 nan 0.000 0.494 108 K N 1.602 122.004 120.400 0.003 0.000 2.472 108 K HA 0.103 4.423 4.320 0.000 0.000 0.280 108 K C 0.021 176.629 176.600 0.013 0.000 1.028 108 K CA 0.678 56.968 56.287 0.006 0.000 1.045 108 K CB 0.238 32.742 32.500 0.006 0.000 0.902 108 K HN 0.748 nan 8.250 nan 0.000 0.478 109 Q N 0.825 120.633 119.800 0.013 0.000 2.445 109 Q HA 0.508 4.848 4.340 0.000 0.000 0.281 109 Q C -0.981 175.037 176.000 0.029 0.000 1.101 109 Q CA -0.970 54.846 55.803 0.022 0.000 0.833 109 Q CB 2.424 31.163 28.738 0.003 0.000 1.416 109 Q HN 0.291 nan 8.270 nan 0.000 0.451 110 V N 0.607 120.551 119.914 0.050 0.000 2.732 110 V HA 0.583 4.704 4.120 0.000 0.000 0.310 110 V C -0.590 175.535 176.094 0.052 0.000 1.053 110 V CA -0.249 62.070 62.300 0.033 0.000 0.957 110 V CB 2.087 33.940 31.823 0.050 0.000 1.018 110 V HN 0.973 nan 8.190 nan 0.000 0.452 111 T N 1.607 116.195 114.554 0.056 0.000 2.856 111 T HA 0.724 5.074 4.350 0.000 0.000 0.283 111 T C -0.943 173.837 174.700 0.133 0.000 1.008 111 T CA -0.679 61.486 62.100 0.107 0.000 0.997 111 T CB 1.606 70.538 68.868 0.107 0.000 0.992 111 T HN 0.333 nan 8.240 nan 0.000 0.454 112 V N 2.649 122.686 119.914 0.206 0.000 2.304 112 V HA 0.643 4.763 4.120 0.000 0.000 0.278 112 V C 0.789 176.967 176.094 0.141 0.000 1.018 112 V CA -0.162 62.255 62.300 0.195 0.000 0.814 112 V CB -0.071 31.932 31.823 0.301 0.000 1.021 112 V HN 1.590 nan 8.190 nan 0.000 0.440 113 A N 4.099 126.978 122.820 0.099 0.000 2.791 113 A HA 0.036 4.356 4.320 0.000 0.000 0.292 113 A C 1.731 179.360 177.584 0.075 0.000 1.487 113 A CA 1.197 53.275 52.037 0.067 0.000 0.760 113 A CB -1.563 17.453 19.000 0.027 0.000 1.031 113 A HN 2.512 nan 8.150 nan 0.000 0.503 114 G N -3.497 105.361 108.800 0.096 0.000 2.189 114 G HA2 -0.050 3.910 3.960 0.000 0.000 0.267 114 G HA3 -0.050 3.910 3.960 0.000 0.000 0.267 114 G C 0.392 175.357 174.900 0.108 0.000 0.975 114 G CA 0.661 45.816 45.100 0.092 0.000 0.644 114 G HN 1.924 nan 8.290 nan 0.000 0.537 115 V N 3.228 123.233 119.914 0.152 0.000 2.350 115 V HA 0.439 4.559 4.120 0.000 0.000 0.276 115 V C -1.445 174.797 176.094 0.247 0.000 1.028 115 V CA -1.654 60.776 62.300 0.216 0.000 0.860 115 V CB 1.606 33.603 31.823 0.291 0.000 0.990 115 V HN 0.206 nan 8.190 nan 0.000 0.453 116 P HA 0.045 nan 4.420 nan 0.000 0.267 116 P C -0.397 176.859 177.300 -0.072 0.000 1.205 116 P CA -0.132 63.002 63.100 0.057 0.000 0.765 116 P CB 0.675 32.391 31.700 0.025 0.000 0.828 117 M N 6.229 125.751 119.600 -0.129 0.000 2.146 117 M HA 0.289 4.769 4.480 0.000 0.000 0.352 117 M C -2.315 173.743 176.300 -0.403 0.000 1.343 117 M CA -2.213 52.805 55.300 -0.470 0.000 1.115 117 M CB 0.547 33.081 32.600 -0.110 0.000 1.657 117 M HN 0.097 nan 8.290 nan 0.000 0.471 118 P HA -0.052 nan 4.420 nan 0.000 0.260 118 P C -0.052 177.135 177.300 -0.188 0.000 1.172 118 P CA 0.056 62.973 63.100 -0.306 0.000 0.760 118 P CB 0.402 31.916 31.700 -0.309 0.000 0.773 119 R N 3.599 124.031 120.500 -0.113 0.000 2.119 119 R HA -0.178 4.162 4.340 0.000 0.000 0.246 119 R C 1.410 177.659 176.300 -0.086 0.000 1.146 119 R CA 1.945 58.001 56.100 -0.073 0.000 0.962 119 R CB -1.080 29.189 30.300 -0.051 0.000 0.863 119 R HN 0.651 nan 8.270 nan 0.000 0.442 120 D N -0.796 119.550 120.400 -0.090 0.000 2.363 120 D HA -0.039 4.601 4.640 0.000 0.000 0.220 120 D C 1.193 177.433 176.300 -0.100 0.000 0.994 120 D CA 0.872 54.819 54.000 -0.088 0.000 0.890 120 D CB 0.045 40.804 40.800 -0.068 0.000 0.906 120 D HN 0.167 nan 8.370 nan 0.000 0.530 121 A N 0.772 123.527 122.820 -0.108 0.000 2.095 121 A HA 0.002 4.322 4.320 0.000 0.000 0.212 121 A C 2.061 179.587 177.584 -0.097 0.000 1.162 121 A CA 0.159 52.145 52.037 -0.084 0.000 0.753 121 A CB -0.172 18.783 19.000 -0.075 0.000 0.840 121 A HN 0.098 nan 8.150 nan 0.000 0.468 122 E N 0.354 120.487 120.200 -0.111 0.000 2.049 122 E HA -0.160 4.190 4.350 0.000 0.000 0.198 122 E C -0.855 175.545 176.600 -0.333 0.000 1.007 122 E CA 1.621 57.930 56.400 -0.153 0.000 0.809 122 E CB -0.737 28.878 29.700 -0.142 0.000 0.749 122 E HN 0.520 nan 8.360 nan 0.000 0.450 123 P HA -0.012 nan 4.420 nan 0.000 0.253 123 P C 0.057 176.933 177.300 -0.707 0.000 1.281 123 P CA 0.698 63.530 63.100 -0.447 0.000 0.792 123 P CB 0.070 31.596 31.700 -0.290 0.000 1.193 124 R N -1.027 119.096 120.500 -0.628 0.000 2.437 124 R HA 0.125 4.465 4.340 0.000 0.000 0.257 124 R C -0.119 175.850 176.300 -0.552 0.000 0.927 124 R CA -0.355 55.391 56.100 -0.591 0.000 1.078 124 R CB -0.097 30.069 30.300 -0.224 0.000 1.161 124 R HN 0.289 nan 8.270 nan 0.000 0.529 125 H N -0.731 118.300 119.070 -0.064 0.000 4.618 125 H HA -0.195 4.362 4.556 0.000 0.000 0.257 125 H C -1.031 174.429 175.328 0.221 0.000 0.545 125 H CA 0.408 56.467 56.048 0.017 0.000 0.688 125 H CB -0.598 29.039 29.762 -0.208 0.000 0.965 125 H HN 0.055 nan 8.280 nan 0.000 0.303 126 L N 1.617 123.126 121.223 0.476 0.000 2.381 126 L HA 0.548 4.889 4.340 0.000 0.000 0.274 126 L C -1.296 175.742 176.870 0.281 0.000 0.988 126 L CA -0.753 54.302 54.840 0.359 0.000 0.824 126 L CB 1.589 43.811 42.059 0.271 0.000 1.263 126 L HN 0.501 nan 8.230 nan 0.000 0.410 127 L N 5.977 127.247 121.223 0.078 0.000 2.305 127 L HA 0.655 4.995 4.340 0.000 0.000 0.284 127 L C -1.115 175.698 176.870 -0.096 0.000 1.013 127 L CA -0.270 54.429 54.840 -0.235 0.000 0.819 127 L CB 1.800 43.613 42.059 -0.410 0.000 1.227 127 L HN 0.408 nan 8.230 nan 0.000 0.417 128 V N 5.718 125.579 119.914 -0.088 0.000 2.313 128 V HA 0.438 4.558 4.120 0.000 0.000 0.278 128 V C -0.080 175.989 176.094 -0.042 0.000 1.017 128 V CA -0.700 61.581 62.300 -0.032 0.000 0.823 128 V CB 1.071 32.900 31.823 0.010 0.000 1.010 128 V HN 0.774 nan 8.190 nan 0.000 0.443 129 N N 3.644 122.323 118.700 -0.034 0.000 2.419 129 N HA 0.729 5.469 4.740 0.000 0.000 0.277 129 N C -0.198 175.311 175.510 -0.001 0.000 1.006 129 N CA 0.213 53.247 53.050 -0.028 0.000 0.923 129 N CB 2.239 40.705 38.487 -0.036 0.000 1.140 129 N HN 0.854 nan 8.380 nan 0.000 0.488 130 G N 0.653 109.456 108.800 0.004 0.000 2.489 130 G HA2 0.555 4.515 3.960 0.000 0.000 0.291 130 G HA3 0.555 4.515 3.960 0.000 0.000 0.291 130 G C -1.243 173.666 174.900 0.014 0.000 1.487 130 G CA -0.284 44.824 45.100 0.014 0.000 0.795 130 G HN 0.690 nan 8.290 nan 0.000 0.513 131 A N -0.398 122.432 122.820 0.016 0.000 2.256 131 A HA 0.756 5.076 4.320 0.000 0.000 0.276 131 A C 0.734 178.327 177.584 0.016 0.000 1.259 131 A CA 0.220 52.266 52.037 0.015 0.000 0.813 131 A CB -0.061 18.948 19.000 0.014 0.000 1.200 131 A HN 1.005 nan 8.150 nan 0.000 0.506 132 T N 0.335 114.898 114.554 0.015 0.000 2.749 132 T HA 0.495 4.846 4.350 0.000 0.000 0.295 132 T C 0.936 175.643 174.700 0.011 0.000 0.936 132 T CA 1.021 63.129 62.100 0.014 0.000 1.060 132 T CB 0.599 69.474 68.868 0.012 0.000 0.904 132 T HN 1.983 nan 8.240 nan 0.000 0.500 133 G N 2.865 111.672 108.800 0.011 0.000 2.132 133 G HA2 -0.288 3.672 3.960 0.000 0.000 0.228 133 G HA3 -0.288 3.672 3.960 0.000 0.000 0.228 133 G C 0.738 175.644 174.900 0.010 0.000 1.000 133 G CA 0.330 45.435 45.100 0.009 0.000 0.693 133 G HN 0.885 nan 8.290 nan 0.000 0.515 134 T N -2.982 111.581 114.554 0.013 0.000 3.060 134 T HA 0.496 4.847 4.350 0.000 0.000 0.249 134 T C 1.924 176.632 174.700 0.014 0.000 1.079 134 T CA 1.417 63.524 62.100 0.013 0.000 1.013 134 T CB 0.870 69.747 68.868 0.015 0.000 0.975 134 T HN 1.990 nan 8.240 nan 0.000 0.518 135 G N 1.243 110.055 108.800 0.020 0.000 2.370 135 G HA2 -0.157 3.803 3.960 0.000 0.000 0.174 135 G HA3 -0.157 3.803 3.960 0.000 0.000 0.174 135 G C 0.837 175.760 174.900 0.037 0.000 1.002 135 G CA 0.050 45.166 45.100 0.026 0.000 0.730 135 G HN 0.380 nan 8.290 nan 0.000 0.497 136 K N 0.898 121.320 120.400 0.037 0.000 2.113 136 K HA -0.071 4.249 4.320 0.000 0.000 0.208 136 K C 2.553 179.189 176.600 0.060 0.000 1.047 136 K CA 1.742 58.058 56.287 0.049 0.000 0.928 136 K CB -0.173 32.354 32.500 0.047 0.000 0.716 136 K HN 0.347 nan 8.250 nan 0.000 0.446 137 S N 0.607 116.336 115.700 0.049 0.000 2.355 137 S HA -0.099 4.371 4.470 0.000 0.000 0.222 137 S C 2.150 176.785 174.600 0.059 0.000 1.031 137 S CA 1.127 59.355 58.200 0.048 0.000 0.993 137 S CB -0.191 63.027 63.200 0.031 0.000 0.859 137 S HN 0.041 nan 8.310 nan 0.000 0.453 138 V N 2.406 122.359 119.914 0.064 0.000 2.233 138 V HA -0.182 3.938 4.120 0.000 0.000 0.247 138 V C 2.236 178.385 176.094 0.092 0.000 1.050 138 V CA 1.816 64.168 62.300 0.087 0.000 1.010 138 V CB -0.787 31.081 31.823 0.075 0.000 0.637 138 V HN 0.413 nan 8.190 nan 0.000 0.444 139 L N -0.657 120.614 121.223 0.080 0.000 1.990 139 L HA -0.240 4.100 4.340 0.000 0.000 0.213 139 L C 2.327 179.257 176.870 0.100 0.000 1.072 139 L CA 1.895 56.786 54.840 0.086 0.000 0.755 139 L CB -0.265 41.837 42.059 0.073 0.000 0.889 139 L HN 0.237 nan 8.230 nan 0.000 0.432 140 L N -0.266 121.025 121.223 0.113 0.000 2.265 140 L HA -0.164 4.176 4.340 0.000 0.000 0.215 140 L C 2.580 179.469 176.870 0.032 0.000 1.117 140 L CA 1.447 56.387 54.840 0.166 0.000 0.782 140 L CB -0.862 41.317 42.059 0.200 0.000 0.914 140 L HN 0.243 nan 8.230 nan 0.000 0.441 141 R N -0.306 120.198 120.500 0.006 0.000 2.075 141 R HA -0.104 4.237 4.340 0.000 0.000 0.226 141 R C 2.292 178.526 176.300 -0.109 0.000 1.114 141 R CA 1.119 57.168 56.100 -0.086 0.000 0.972 141 R CB -0.099 30.180 30.300 -0.034 0.000 0.869 141 R HN 0.457 nan 8.270 nan 0.000 0.437 142 E N -0.019 120.221 120.200 0.066 0.000 2.152 142 E HA -0.163 4.187 4.350 0.000 0.000 0.192 142 E C 1.826 178.479 176.600 0.089 0.000 0.983 142 E CA 0.756 57.262 56.400 0.176 0.000 0.818 142 E CB 0.002 29.814 29.700 0.187 0.000 0.758 142 E HN 0.386 nan 8.360 nan 0.000 0.467 143 L N 0.382 121.616 121.223 0.019 0.000 2.044 143 L HA -0.074 4.266 4.340 0.000 0.000 0.205 143 L C 2.553 179.302 176.870 -0.201 0.000 1.075 143 L CA 1.262 56.072 54.840 -0.051 0.000 0.747 143 L CB -0.351 41.727 42.059 0.033 0.000 0.903 143 L HN 0.231 nan 8.230 nan 0.000 0.435 144 A N -1.125 121.515 122.820 -0.300 0.000 1.972 144 A HA -0.295 4.025 4.320 0.000 0.000 0.219 144 A C 2.060 179.254 177.584 -0.650 0.000 1.169 144 A CA 1.566 53.201 52.037 -0.669 0.000 0.635 144 A CB -0.825 17.533 19.000 -1.069 0.000 0.810 144 A HN 0.578 nan 8.150 nan 0.000 0.446 145 Y N 1.818 121.716 120.300 -0.669 0.000 2.092 145 Y HA -0.207 4.343 4.550 0.000 0.000 0.282 145 Y C 2.929 178.730 175.900 -0.164 0.000 1.126 145 Y CA 2.493 60.351 58.100 -0.403 0.000 1.111 145 Y CB -1.030 37.424 38.460 -0.010 0.000 0.987 145 Y HN 0.418 nan 8.280 nan 0.000 0.489 146 T N -2.341 112.107 114.554 -0.178 0.000 2.897 146 T HA -0.102 4.248 4.350 0.000 0.000 0.271 146 T C 2.121 176.694 174.700 -0.211 0.000 1.084 146 T CA 1.160 63.128 62.100 -0.219 0.000 1.123 146 T CB -1.201 67.633 68.868 -0.056 0.000 0.865 146 T HN 0.426 nan 8.240 nan 0.000 0.496 147 G N 1.275 109.919 108.800 -0.259 0.000 2.408 147 G HA2 0.089 4.049 3.960 0.000 0.000 0.215 147 G HA3 0.089 4.049 3.960 0.000 0.000 0.215 147 G C 1.472 176.279 174.900 -0.155 0.000 1.156 147 G CA 0.328 45.287 45.100 -0.234 0.000 0.793 147 G HN 0.517 nan 8.290 nan 0.000 0.535 148 L N 0.151 121.243 121.223 -0.219 0.000 2.093 148 L HA 0.072 4.412 4.340 0.000 0.000 0.208 148 L C 2.686 179.484 176.870 -0.121 0.000 1.085 148 L CA 0.434 55.191 54.840 -0.138 0.000 0.755 148 L CB -0.343 41.636 42.059 -0.134 0.000 0.904 148 L HN 0.152 nan 8.230 nan 0.000 0.435 149 L N -0.502 120.588 121.223 -0.221 0.000 2.353 149 L HA -0.160 4.181 4.340 0.000 0.000 0.220 149 L C 2.450 179.266 176.870 -0.090 0.000 1.133 149 L CA 0.877 55.607 54.840 -0.183 0.000 0.798 149 L CB -0.428 41.458 42.059 -0.289 0.000 0.922 149 L HN 0.244 nan 8.230 nan 0.000 0.445 150 R N -0.217 120.243 120.500 -0.066 0.000 2.334 150 R HA 0.100 4.440 4.340 0.000 0.000 0.216 150 R C 1.280 177.587 176.300 0.013 0.000 0.905 150 R CA 0.639 56.730 56.100 -0.014 0.000 1.064 150 R CB 0.413 30.719 30.300 0.011 0.000 1.046 150 R HN 0.326 nan 8.270 nan 0.000 0.508 151 G N 0.879 109.685 108.800 0.010 0.000 2.195 151 G HA2 -0.244 3.716 3.960 0.000 0.000 0.246 151 G HA3 -0.244 3.716 3.960 0.000 0.000 0.246 151 G C -0.398 174.536 174.900 0.056 0.000 0.984 151 G CA 0.151 45.268 45.100 0.028 0.000 0.633 151 G HN 0.415 nan 8.290 nan 0.000 0.525 152 D N 0.796 121.251 120.400 0.092 0.000 2.443 152 D HA 0.412 5.053 4.640 0.000 0.000 0.234 152 D C 1.183 177.581 176.300 0.164 0.000 1.172 152 D CA 0.493 54.603 54.000 0.183 0.000 0.878 152 D CB 0.425 41.430 40.800 0.343 0.000 1.204 152 D HN 0.525 nan 8.370 nan 0.000 0.453 153 R N 0.839 121.456 120.500 0.195 0.000 2.758 153 R HA 0.778 5.118 4.340 0.000 0.000 0.265 153 R C -0.078 176.392 176.300 0.285 0.000 1.016 153 R CA -0.863 55.335 56.100 0.164 0.000 1.040 153 R CB 1.340 31.665 30.300 0.041 0.000 1.152 153 R HN 0.538 nan 8.270 nan 0.000 0.503 154 M N -1.505 118.257 119.600 0.269 0.000 2.523 154 M HA 0.321 4.801 4.480 0.000 0.000 0.287 154 M C -1.707 174.729 176.300 0.228 0.000 1.160 154 M CA -1.056 54.434 55.300 0.317 0.000 0.902 154 M CB 1.719 34.496 32.600 0.294 0.000 1.752 154 M HN 0.203 nan 8.290 nan 0.000 0.504 155 V N 3.531 123.606 119.914 0.269 0.000 2.398 155 V HA 0.596 4.716 4.120 0.000 0.000 0.286 155 V C -0.349 175.804 176.094 0.099 0.000 1.026 155 V CA -0.361 62.005 62.300 0.111 0.000 0.868 155 V CB 1.603 33.531 31.823 0.175 0.000 0.982 155 V HN 0.741 nan 8.190 nan 0.000 0.443 156 I N 4.865 125.385 120.570 -0.083 0.000 2.439 156 I HA 0.329 4.499 4.170 0.000 0.000 0.285 156 I C -0.337 175.855 176.117 0.125 0.000 1.021 156 I CA -0.834 60.469 61.300 0.004 0.000 1.091 156 I CB 2.152 39.993 38.000 -0.264 0.000 1.242 156 I HN 0.255 nan 8.210 nan 0.000 0.439 157 V N 4.973 125.035 119.914 0.246 0.000 2.381 157 V HA 0.021 4.142 4.120 0.000 0.000 0.257 157 V C -0.108 176.213 176.094 0.379 0.000 1.057 157 V CA 0.276 62.795 62.300 0.365 0.000 1.013 157 V CB 0.445 32.481 31.823 0.356 0.000 1.069 157 V HN 0.628 nan 8.190 nan 0.000 0.484 158 D N 7.441 128.062 120.400 0.369 0.000 2.477 158 D HA 0.358 4.998 4.640 0.000 0.000 0.239 158 D C -2.690 173.468 176.300 -0.236 0.000 1.102 158 D CA -2.155 51.925 54.000 0.135 0.000 0.901 158 D CB 1.535 42.465 40.800 0.216 0.000 1.026 158 D HN 0.257 nan 8.370 nan 0.000 0.515 159 P HA 0.113 nan 4.420 nan 0.000 0.267 159 P C -0.289 176.661 177.300 -0.582 0.000 1.209 159 P CA 0.034 62.511 63.100 -1.039 0.000 0.763 159 P CB 0.396 31.722 31.700 -0.624 0.000 0.816 160 N N 2.703 121.022 118.700 -0.635 0.000 2.741 160 N HA -0.178 4.562 4.740 0.000 0.000 0.250 160 N C 0.808 176.187 175.510 -0.217 0.000 1.115 160 N CA 1.529 54.356 53.050 -0.370 0.000 0.724 160 N CB -1.874 36.445 38.487 -0.280 0.000 1.090 160 N HN 0.841 nan 8.380 nan 0.000 0.558 161 G N 0.466 109.162 108.800 -0.172 0.000 2.361 161 G HA2 -0.366 3.594 3.960 0.000 0.000 0.294 161 G HA3 -0.366 3.594 3.960 0.000 0.000 0.294 161 G C 0.689 175.538 174.900 -0.085 0.000 1.004 161 G CA 1.345 46.402 45.100 -0.071 0.000 0.870 161 G HN 0.669 nan 8.290 nan 0.000 0.510 162 D N -0.749 119.597 120.400 -0.090 0.000 2.117 162 D HA -0.064 4.576 4.640 0.000 0.000 0.198 162 D C 2.511 178.775 176.300 -0.060 0.000 0.982 162 D CA 1.404 55.355 54.000 -0.082 0.000 0.828 162 D CB -0.047 40.707 40.800 -0.077 0.000 0.967 162 D HN 0.311 nan 8.370 nan 0.000 0.464 163 M N -0.034 119.590 119.600 0.041 0.000 2.200 163 M HA -0.006 4.475 4.480 0.000 0.000 0.265 163 M C 2.201 178.590 176.300 0.149 0.000 1.066 163 M CA 0.633 56.058 55.300 0.208 0.000 1.127 163 M CB -0.998 31.792 32.600 0.316 0.000 1.379 163 M HN 0.232 nan 8.290 nan 0.000 0.420 164 L N 0.836 121.990 121.223 -0.115 0.000 2.012 164 L HA -0.188 4.152 4.340 0.000 0.000 0.210 164 L C 2.657 179.259 176.870 -0.447 0.000 1.073 164 L CA 2.448 56.845 54.840 -0.738 0.000 0.748 164 L CB -0.866 40.851 42.059 -0.569 0.000 0.891 164 L HN 0.426 nan 8.230 nan 0.000 0.431 165 S N -1.361 114.180 115.700 -0.266 0.000 2.399 165 S HA -0.150 4.320 4.470 0.000 0.000 0.231 165 S C 1.934 176.379 174.600 -0.258 0.000 1.022 165 S CA 0.923 58.993 58.200 -0.217 0.000 0.983 165 S CB -0.495 62.614 63.200 -0.153 0.000 0.803 165 S HN 0.477 nan 8.310 nan 0.000 0.480 166 K N 0.319 120.494 120.400 -0.375 0.000 2.166 166 K HA 0.214 4.534 4.320 0.000 0.000 0.201 166 K C 0.784 176.913 176.600 -0.785 0.000 1.052 166 K CA 0.777 56.666 56.287 -0.662 0.000 0.969 166 K CB -0.295 31.537 32.500 -1.113 0.000 0.761 166 K HN 0.593 nan 8.250 nan 0.000 0.459 167 F N 0.221 120.138 119.950 -0.055 0.000 2.746 167 F HA 0.299 4.826 4.527 0.000 0.000 0.320 167 F C 1.190 177.004 175.800 0.023 0.000 1.097 167 F CA -0.874 57.147 58.000 0.035 0.000 1.195 167 F CB -0.100 38.962 39.000 0.103 0.000 1.056 167 F HN -0.179 nan 8.300 nan 0.000 0.562 168 G N 1.397 110.141 108.800 -0.093 0.000 2.432 168 G HA2 0.445 4.405 3.960 0.000 0.000 0.239 168 G HA3 0.445 4.405 3.960 0.000 0.000 0.239 168 G C -0.145 174.740 174.900 -0.026 0.000 1.291 168 G CA -0.202 44.769 45.100 -0.215 0.000 0.863 168 G HN 0.188 nan 8.290 nan 0.000 0.560 169 R N 0.678 121.205 120.500 0.044 0.000 2.854 169 R HA 0.281 4.621 4.340 0.000 0.000 0.271 169 R C 0.478 176.803 176.300 0.041 0.000 0.994 169 R CA -0.920 55.216 56.100 0.060 0.000 0.945 169 R CB 1.699 32.065 30.300 0.110 0.000 1.194 169 R HN 0.472 nan 8.270 nan 0.000 0.476 170 D N 1.645 122.063 120.400 0.031 0.000 2.158 170 D HA -0.212 4.428 4.640 0.000 0.000 0.197 170 D C 1.162 177.485 176.300 0.039 0.000 0.995 170 D CA 1.697 55.709 54.000 0.021 0.000 0.846 170 D CB 0.228 41.040 40.800 0.019 0.000 0.941 170 D HN 0.504 nan 8.370 nan 0.000 0.456 171 K N 0.716 121.157 120.400 0.068 0.000 2.366 171 K HA -0.014 4.307 4.320 0.000 0.000 0.198 171 K C 0.252 176.927 176.600 0.126 0.000 1.044 171 K CA 0.204 56.546 56.287 0.092 0.000 0.973 171 K CB 0.190 32.752 32.500 0.103 0.000 0.767 171 K HN -0.114 nan 8.250 nan 0.000 0.475 172 D N 1.648 122.132 120.400 0.139 0.000 2.399 172 D HA 0.084 4.724 4.640 0.000 0.000 0.241 172 D C 0.299 176.655 176.300 0.093 0.000 1.133 172 D CA -0.042 54.078 54.000 0.199 0.000 0.890 172 D CB 0.729 41.720 40.800 0.318 0.000 1.201 172 D HN -0.010 nan 8.370 nan 0.000 0.432 173 I N 1.623 122.219 120.570 0.044 0.000 2.677 173 I HA 0.373 4.543 4.170 0.000 0.000 0.305 173 I C 0.566 176.585 176.117 -0.164 0.000 0.988 173 I CA -0.448 60.722 61.300 -0.217 0.000 1.260 173 I CB 0.771 38.429 38.000 -0.570 0.000 1.410 173 I HN 0.208 nan 8.210 nan 0.000 0.523 174 I N 5.218 125.615 120.570 -0.288 0.000 2.534 174 I HA 0.338 4.508 4.170 0.000 0.000 0.288 174 I C -0.984 174.926 176.117 -0.344 0.000 1.077 174 I CA -0.462 60.715 61.300 -0.205 0.000 1.051 174 I CB 2.485 40.417 38.000 -0.114 0.000 1.234 174 I HN 0.209 nan 8.210 nan 0.000 0.425 175 L N 6.472 127.457 121.223 -0.397 0.000 2.318 175 L HA 0.543 4.883 4.340 0.000 0.000 0.277 175 L C -0.697 175.997 176.870 -0.295 0.000 1.008 175 L CA -0.312 54.145 54.840 -0.637 0.000 0.846 175 L CB 1.239 42.443 42.059 -1.425 0.000 1.220 175 L HN 0.535 nan 8.230 nan 0.000 0.423 176 N N 5.197 123.881 118.700 -0.027 0.000 2.697 176 N HA 0.198 4.938 4.740 0.000 0.000 0.271 176 N C -2.355 173.259 175.510 0.175 0.000 1.149 176 N CA -1.068 52.117 53.050 0.223 0.000 0.939 176 N CB 2.766 41.409 38.487 0.260 0.000 1.534 176 N HN 0.100 nan 8.380 nan 0.000 0.556 177 P HA -0.081 nan 4.420 nan 0.000 0.223 177 P C 0.183 177.245 177.300 -0.396 0.000 1.144 177 P CA 1.230 64.227 63.100 -0.172 0.000 0.783 177 P CB 0.106 31.595 31.700 -0.352 0.000 0.771 178 Y N -0.998 119.439 120.300 0.228 0.000 2.607 178 Y HA 0.310 4.860 4.550 0.000 0.000 0.266 178 Y C 0.782 176.813 175.900 0.218 0.000 1.178 178 Y CA -0.776 57.472 58.100 0.247 0.000 1.226 178 Y CB 0.098 38.764 38.460 0.343 0.000 1.144 178 Y HN -0.060 nan 8.280 nan 0.000 0.528 179 D N 0.047 120.577 120.400 0.216 0.000 2.248 179 D HA 0.083 4.723 4.640 0.000 0.000 0.246 179 D C 0.588 176.867 176.300 -0.035 0.000 1.027 179 D CA -0.213 53.813 54.000 0.042 0.000 0.853 179 D CB 2.116 42.999 40.800 0.138 0.000 1.243 179 D HN 0.013 nan 8.370 nan 0.000 0.462 180 Q N 2.198 121.933 119.800 -0.108 0.000 2.291 180 Q HA -0.033 4.307 4.340 0.000 0.000 0.205 180 Q C 1.544 177.505 176.000 -0.065 0.000 0.970 180 Q CA 1.387 57.142 55.803 -0.080 0.000 0.876 180 Q CB 0.160 28.839 28.738 -0.099 0.000 0.935 180 Q HN 0.429 nan 8.270 nan 0.000 0.455 181 R N -0.791 119.666 120.500 -0.072 0.000 2.275 181 R HA 0.110 4.450 4.340 0.000 0.000 0.199 181 R C 0.410 176.657 176.300 -0.088 0.000 0.989 181 R CA 0.436 56.491 56.100 -0.075 0.000 1.016 181 R CB -0.045 30.207 30.300 -0.081 0.000 0.918 181 R HN 0.115 nan 8.270 nan 0.000 0.473 182 T N 1.567 116.076 114.554 -0.076 0.000 2.785 182 T HA -0.054 4.296 4.350 0.000 0.000 0.341 182 T C 0.549 175.171 174.700 -0.130 0.000 1.093 182 T CA 0.319 62.354 62.100 -0.108 0.000 1.103 182 T CB 0.567 69.405 68.868 -0.051 0.000 1.011 182 T HN -0.069 nan 8.240 nan 0.000 0.549 183 K N 0.344 120.625 120.400 -0.199 0.000 2.139 183 K HA 0.525 4.845 4.320 0.000 0.000 0.243 183 K C 0.482 177.097 176.600 0.025 0.000 0.983 183 K CA -0.547 55.634 56.287 -0.177 0.000 0.890 183 K CB 1.572 33.753 32.500 -0.532 0.000 1.090 183 K HN 0.785 nan 8.250 nan 0.000 0.445 184 G N 0.328 109.207 108.800 0.130 0.000 2.372 184 G HA2 0.382 4.342 3.960 0.000 0.000 0.283 184 G HA3 0.382 4.342 3.960 0.000 0.000 0.283 184 G C -1.442 173.692 174.900 0.391 0.000 1.177 184 G CA -0.257 44.968 45.100 0.209 0.000 0.842 184 G HN 0.575 nan 8.290 nan 0.000 0.503 185 W N 1.355 122.762 121.300 0.178 0.000 3.275 185 W HA 0.560 5.220 4.660 0.000 0.000 0.306 185 W C -0.659 176.015 176.519 0.258 0.000 1.259 185 W CA -0.562 56.925 57.345 0.237 0.000 1.194 185 W CB 1.819 31.468 29.460 0.315 0.000 1.375 185 W HN 0.988 nan 8.180 nan 0.000 0.564 186 S N 3.509 118.765 115.700 -0.740 0.000 2.537 186 S HA 0.295 4.765 4.470 0.000 0.000 0.271 186 S C -0.004 173.762 174.600 -1.390 0.000 1.148 186 S CA -0.342 57.439 58.200 -0.697 0.000 0.868 186 S CB 0.228 63.371 63.200 -0.094 0.000 1.115 186 S HN 1.101 nan 8.310 nan 0.000 0.461 187 F N 1.604 120.859 119.950 -1.158 0.000 2.449 187 F HA 0.186 4.713 4.527 0.000 0.000 0.299 187 F C 1.071 176.556 175.800 -0.525 0.000 1.092 187 F CA 0.441 57.977 58.000 -0.772 0.000 1.446 187 F CB -0.824 38.002 39.000 -0.289 0.000 1.084 187 F HN 0.502 nan 8.300 nan 0.000 0.567 188 F N 1.691 120.962 119.950 -1.133 0.000 2.216 188 F HA -0.171 4.356 4.527 0.000 0.000 0.300 188 F C 1.980 177.429 175.800 -0.585 0.000 1.085 188 F CA 1.466 58.941 58.000 -0.876 0.000 1.326 188 F CB -0.948 37.701 39.000 -0.584 0.000 1.027 188 F HN 0.035 nan 8.300 nan 0.000 0.497 189 N N 0.171 118.656 118.700 -0.360 0.000 2.519 189 N HA -0.129 4.611 4.740 0.000 0.000 0.186 189 N C 1.318 176.660 175.510 -0.280 0.000 1.062 189 N CA 0.880 53.763 53.050 -0.279 0.000 0.910 189 N CB -0.314 38.012 38.487 -0.269 0.000 0.958 189 N HN 0.352 nan 8.380 nan 0.000 0.445 190 E N -0.013 119.951 120.200 -0.394 0.000 2.452 190 E HA 0.108 4.459 4.350 0.000 0.000 0.197 190 E C 0.272 176.590 176.600 -0.470 0.000 1.022 190 E CA -0.087 56.019 56.400 -0.490 0.000 0.890 190 E CB 0.558 29.709 29.700 -0.914 0.000 0.918 190 E HN 0.210 nan 8.360 nan 0.000 0.496 191 I N 2.013 122.303 120.570 -0.466 0.000 2.421 191 I HA 0.105 4.275 4.170 0.000 0.000 0.291 191 I C 1.351 177.246 176.117 -0.370 0.000 1.089 191 I CA 0.414 61.396 61.300 -0.530 0.000 1.354 191 I CB 0.384 37.788 38.000 -0.992 0.000 1.413 191 I HN -0.054 nan 8.210 nan 0.000 0.513 192 R N 3.632 123.956 120.500 -0.293 0.000 2.412 192 R HA 0.255 4.595 4.340 0.000 0.000 0.212 192 R C 0.013 176.220 176.300 -0.155 0.000 0.878 192 R CA -0.027 55.965 56.100 -0.181 0.000 1.022 192 R CB 0.658 30.888 30.300 -0.116 0.000 1.265 192 R HN 0.584 nan 8.270 nan 0.000 0.620 193 N N 0.219 118.772 118.700 -0.244 0.000 2.321 193 N HA 0.036 4.776 4.740 0.000 0.000 0.290 193 N C -0.577 174.834 175.510 -0.165 0.000 1.212 193 N CA -0.397 52.566 53.050 -0.146 0.000 0.767 193 N CB 1.956 40.388 38.487 -0.092 0.000 1.494 193 N HN -0.131 nan 8.380 nan 0.000 0.479 194 D N -0.211 120.237 120.400 0.081 0.000 2.265 194 D HA -0.188 4.452 4.640 0.000 0.000 0.208 194 D C 1.517 177.972 176.300 0.258 0.000 0.977 194 D CA 1.416 55.568 54.000 0.253 0.000 0.871 194 D CB 0.036 41.009 40.800 0.289 0.000 0.925 194 D HN 0.649 nan 8.370 nan 0.000 0.485 195 Y N -1.510 118.856 120.300 0.111 0.000 2.583 195 Y HA 0.173 4.723 4.550 0.000 0.000 0.293 195 Y C 1.226 177.164 175.900 0.064 0.000 1.157 195 Y CA 0.214 58.368 58.100 0.091 0.000 1.315 195 Y CB -0.220 38.268 38.460 0.047 0.000 1.021 195 Y HN -0.138 nan 8.280 nan 0.000 0.536 196 D N 0.362 120.530 120.400 -0.387 0.000 2.234 196 D HA -0.118 4.523 4.640 0.000 0.000 0.205 196 D C 1.349 177.655 176.300 0.010 0.000 0.962 196 D CA 0.996 54.825 54.000 -0.285 0.000 0.855 196 D CB -0.487 40.151 40.800 -0.270 0.000 0.951 196 D HN 0.541 nan 8.370 nan 0.000 0.500 197 W N 1.476 122.836 121.300 0.100 0.000 2.318 197 W HA -0.223 4.437 4.660 0.000 0.000 0.313 197 W C 2.655 179.237 176.519 0.106 0.000 1.221 197 W CA 0.739 58.176 57.345 0.153 0.000 1.266 197 W CB -0.391 29.143 29.460 0.122 0.000 1.150 197 W HN -0.003 nan 8.180 nan 0.000 0.496 198 Q N 1.066 121.040 119.800 0.290 0.000 2.172 198 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 198 Q C 2.167 178.203 176.000 0.060 0.000 0.964 198 Q CA 1.683 57.580 55.803 0.156 0.000 0.855 198 Q CB -0.495 28.319 28.738 0.128 0.000 0.918 198 Q HN 0.254 nan 8.270 nan 0.000 0.444 199 R N -1.235 119.258 120.500 -0.010 0.000 2.091 199 R HA -0.169 4.171 4.340 0.000 0.000 0.238 199 R C 1.028 177.109 176.300 -0.365 0.000 1.136 199 R CA 1.660 57.626 56.100 -0.223 0.000 0.959 199 R CB -0.171 29.903 30.300 -0.376 0.000 0.856 199 R HN 0.371 nan 8.270 nan 0.000 0.437 200 Y N -1.012 119.333 120.300 0.076 0.000 2.462 200 Y HA 0.302 4.853 4.550 0.000 0.000 0.261 200 Y C 1.843 177.733 175.900 -0.017 0.000 1.146 200 Y CA 0.262 58.412 58.100 0.084 0.000 1.283 200 Y CB 0.374 38.934 38.460 0.166 0.000 1.090 200 Y HN 0.176 nan 8.280 nan 0.000 0.526 201 A N -0.583 122.274 122.820 0.062 0.000 2.067 201 A HA -0.028 4.293 4.320 0.000 0.000 0.217 201 A C 1.905 179.465 177.584 -0.040 0.000 1.156 201 A CA 0.893 52.895 52.037 -0.059 0.000 0.683 201 A CB -0.453 18.553 19.000 0.009 0.000 0.808 201 A HN 0.297 nan 8.150 nan 0.000 0.455 202 L N -0.131 121.088 121.223 -0.008 0.000 2.093 202 L HA -0.038 4.302 4.340 0.000 0.000 0.208 202 L C 2.612 179.488 176.870 0.010 0.000 1.085 202 L CA 1.985 56.820 54.840 -0.008 0.000 0.755 202 L CB -1.063 40.985 42.059 -0.019 0.000 0.904 202 L HN 0.322 nan 8.230 nan 0.000 0.435 203 S N -1.217 114.513 115.700 0.050 0.000 2.357 203 S HA -0.089 4.381 4.470 0.000 0.000 0.221 203 S C 2.063 176.707 174.600 0.074 0.000 1.031 203 S CA 1.057 59.323 58.200 0.110 0.000 0.982 203 S CB -0.119 63.240 63.200 0.266 0.000 0.853 203 S HN 0.215 nan 8.310 nan 0.000 0.458 204 V N 1.461 121.381 119.914 0.009 0.000 2.307 204 V HA -0.029 4.091 4.120 0.000 0.000 0.245 204 V C 0.842 176.882 176.094 -0.091 0.000 1.045 204 V CA 1.023 63.263 62.300 -0.100 0.000 1.024 204 V CB -0.444 31.127 31.823 -0.420 0.000 0.651 204 V HN 0.285 nan 8.190 nan 0.000 0.449 205 V N 3.402 123.269 119.914 -0.078 0.000 2.240 205 V HA 0.288 4.408 4.120 0.000 0.000 0.265 205 V C -2.082 173.999 176.094 -0.023 0.000 1.073 205 V CA -1.812 60.462 62.300 -0.042 0.000 0.857 205 V CB 0.452 32.256 31.823 -0.032 0.000 1.114 205 V HN 0.340 nan 8.190 nan 0.000 0.469 206 P HA 0.069 nan 4.420 nan 0.000 0.269 206 P C -0.013 177.259 177.300 -0.046 0.000 1.217 206 P CA -0.319 62.763 63.100 -0.030 0.000 0.783 206 P CB 0.761 32.437 31.700 -0.040 0.000 0.898 207 R N 0.454 120.915 120.500 -0.065 0.000 2.698 207 R HA 0.155 4.496 4.340 0.000 0.000 0.266 207 R C 1.104 177.344 176.300 -0.099 0.000 1.026 207 R CA 0.443 56.495 56.100 -0.081 0.000 1.102 207 R CB -0.665 29.579 30.300 -0.092 0.000 0.978 207 R HN 0.632 nan 8.270 nan 0.000 0.436 208 G N 0.996 109.738 108.800 -0.097 0.000 2.467 208 G HA2 0.023 3.983 3.960 0.000 0.000 0.257 208 G HA3 0.023 3.983 3.960 0.000 0.000 0.257 208 G C 0.837 175.660 174.900 -0.128 0.000 1.227 208 G CA -0.433 44.604 45.100 -0.105 0.000 0.835 208 G HN 0.637 nan 8.290 nan 0.000 0.556 209 K N -0.224 120.107 120.400 -0.115 0.000 2.057 209 K HA -0.077 4.243 4.320 0.000 0.000 0.207 209 K C 1.419 177.953 176.600 -0.110 0.000 1.049 209 K CA 1.614 57.835 56.287 -0.110 0.000 0.931 209 K CB -0.150 32.304 32.500 -0.077 0.000 0.714 209 K HN 0.636 nan 8.250 nan 0.000 0.440 210 T N -2.417 112.052 114.554 -0.142 0.000 2.950 210 T HA 0.182 4.532 4.350 0.000 0.000 0.288 210 T C 0.541 175.118 174.700 -0.205 0.000 1.035 210 T CA -0.891 61.115 62.100 -0.157 0.000 1.028 210 T CB 1.531 70.296 68.868 -0.171 0.000 1.109 210 T HN 0.010 nan 8.240 nan 0.000 0.514 211 D N 0.128 120.420 120.400 -0.181 0.000 2.178 211 D HA -0.143 4.497 4.640 0.000 0.000 0.201 211 D C 1.615 177.739 176.300 -0.292 0.000 0.980 211 D CA 1.333 55.219 54.000 -0.190 0.000 0.842 211 D CB 0.196 40.915 40.800 -0.134 0.000 0.948 211 D HN 0.854 nan 8.370 nan 0.000 0.472 212 E N 0.957 120.925 120.200 -0.387 0.000 2.107 212 E HA -0.079 4.271 4.350 0.000 0.000 0.191 212 E C 2.044 177.945 176.600 -1.166 0.000 0.982 212 E CA 0.705 56.721 56.400 -0.640 0.000 0.809 212 E CB 0.071 29.435 29.700 -0.560 0.000 0.756 212 E HN 0.116 nan 8.360 nan 0.000 0.459 213 A N 0.884 123.141 122.820 -0.938 0.000 2.015 213 A HA -0.160 4.160 4.320 0.000 0.000 0.219 213 A C 1.991 179.354 177.584 -0.368 0.000 1.163 213 A CA 1.549 53.134 52.037 -0.753 0.000 0.646 213 A CB -0.359 18.441 19.000 -0.333 0.000 0.806 213 A HN 0.267 nan 8.150 nan 0.000 0.448 214 E N 0.273 120.273 120.200 -0.334 0.000 2.299 214 E HA -0.089 4.261 4.350 0.000 0.000 0.193 214 E C 1.782 178.234 176.600 -0.247 0.000 0.998 214 E CA 1.121 57.393 56.400 -0.213 0.000 0.851 214 E CB -0.226 29.369 29.700 -0.174 0.000 0.795 214 E HN 0.698 nan 8.360 nan 0.000 0.492 215 E N -0.628 119.352 120.200 -0.366 0.000 2.028 215 E HA -0.143 4.207 4.350 0.000 0.000 0.190 215 E C 1.379 177.737 176.600 -0.402 0.000 0.984 215 E CA 1.217 57.370 56.400 -0.413 0.000 0.800 215 E CB -0.204 29.287 29.700 -0.348 0.000 0.758 215 E HN 0.346 nan 8.360 nan 0.000 0.448 216 W N 0.523 121.739 121.300 -0.140 0.000 2.338 216 W HA -0.053 4.607 4.660 0.001 0.000 0.304 216 W C 2.392 178.920 176.519 0.014 0.000 1.212 216 W CA 0.823 58.200 57.345 0.053 0.000 1.264 216 W CB -1.347 28.190 29.460 0.128 0.000 1.142 216 W HN 0.205 nan 8.180 nan 0.000 0.512 217 A N 0.439 123.353 122.820 0.157 0.000 1.940 217 A HA -0.195 4.126 4.320 0.000 0.000 0.219 217 A C 2.262 179.869 177.584 0.038 0.000 1.176 217 A CA 2.391 54.480 52.037 0.087 0.000 0.631 217 A CB -1.034 17.974 19.000 0.014 0.000 0.814 217 A HN 0.185 nan 8.150 nan 0.000 0.446 218 S N -1.093 114.562 115.700 -0.076 0.000 2.359 218 S HA -0.157 4.313 4.470 0.000 0.000 0.224 218 S C 1.859 176.483 174.600 0.040 0.000 1.035 218 S CA 1.658 59.797 58.200 -0.101 0.000 1.018 218 S CB -0.563 62.480 63.200 -0.263 0.000 0.876 218 S HN 0.660 nan 8.310 nan 0.000 0.448 219 Y N 1.593 122.012 120.300 0.198 0.000 2.145 219 Y HA -0.012 4.538 4.550 0.000 0.000 0.286 219 Y C 2.808 178.881 175.900 0.289 0.000 1.145 219 Y CA 0.414 58.698 58.100 0.306 0.000 1.148 219 Y CB -1.447 37.238 38.460 0.376 0.000 0.981 219 Y HN 0.324 nan 8.280 nan 0.000 0.507 220 G N -0.372 108.631 108.800 0.337 0.000 2.479 220 G HA2 -0.219 3.742 3.960 0.000 0.000 0.220 220 G HA3 -0.219 3.742 3.960 0.000 0.000 0.220 220 G C 1.791 176.769 174.900 0.130 0.000 1.115 220 G CA 0.634 45.846 45.100 0.187 0.000 0.757 220 G HN 0.328 nan 8.290 nan 0.000 0.560 221 R N -0.988 119.588 120.500 0.128 0.000 2.173 221 R HA 0.189 4.529 4.340 0.000 0.000 0.208 221 R C 2.291 178.655 176.300 0.107 0.000 1.035 221 R CA 0.339 56.484 56.100 0.075 0.000 1.004 221 R CB -0.247 30.079 30.300 0.044 0.000 0.917 221 R HN 0.377 nan 8.270 nan 0.000 0.462 222 L N 1.017 122.344 121.223 0.173 0.000 2.044 222 L HA -0.077 4.263 4.340 0.000 0.000 0.205 222 L C 1.999 179.001 176.870 0.221 0.000 1.075 222 L CA 1.471 56.411 54.840 0.167 0.000 0.747 222 L CB -0.538 41.616 42.059 0.158 0.000 0.903 222 L HN 0.070 nan 8.230 nan 0.000 0.435 223 L N -0.689 120.737 121.223 0.337 0.000 2.017 223 L HA -0.165 4.175 4.340 0.000 0.000 0.208 223 L C 2.345 179.280 176.870 0.108 0.000 1.073 223 L CA 2.041 57.024 54.840 0.239 0.000 0.745 223 L CB -0.933 41.157 42.059 0.052 0.000 0.894 223 L HN 0.433 nan 8.230 nan 0.000 0.432 224 L N 0.401 121.669 121.223 0.076 0.000 1.970 224 L HA -0.223 4.117 4.340 0.000 0.000 0.212 224 L C 2.878 179.785 176.870 0.062 0.000 1.071 224 L CA 2.477 57.340 54.840 0.039 0.000 0.751 224 L CB -0.849 41.184 42.059 -0.042 0.000 0.889 224 L HN 0.533 nan 8.230 nan 0.000 0.432 225 R N -1.192 119.344 120.500 0.060 0.000 2.096 225 R HA -0.125 4.215 4.340 0.000 0.000 0.235 225 R C 1.820 178.039 176.300 -0.135 0.000 1.127 225 R CA 1.480 57.605 56.100 0.042 0.000 0.968 225 R CB -0.831 29.538 30.300 0.115 0.000 0.861 225 R HN 0.364 nan 8.270 nan 0.000 0.440 226 E N 0.682 120.844 120.200 -0.062 0.000 2.107 226 E HA -0.068 4.282 4.350 0.000 0.000 0.191 226 E C 1.918 178.462 176.600 -0.093 0.000 0.982 226 E CA 1.650 57.984 56.400 -0.109 0.000 0.809 226 E CB -0.209 29.472 29.700 -0.032 0.000 0.756 226 E HN 0.434 nan 8.360 nan 0.000 0.459 227 T N 0.756 115.324 114.554 0.024 0.000 2.942 227 T HA 0.035 4.386 4.350 0.000 0.000 0.265 227 T C 1.854 176.659 174.700 0.174 0.000 1.062 227 T CA 1.050 63.246 62.100 0.160 0.000 1.139 227 T CB 0.031 69.008 68.868 0.181 0.000 0.883 227 T HN 0.216 nan 8.240 nan 0.000 0.468 228 A N 1.601 124.483 122.820 0.104 0.000 1.970 228 A HA 0.063 4.383 4.320 0.000 0.000 0.216 228 A C 2.246 179.782 177.584 -0.080 0.000 1.170 228 A CA 0.894 53.065 52.037 0.223 0.000 0.645 228 A CB -0.232 18.933 19.000 0.274 0.000 0.816 228 A HN 0.326 nan 8.150 nan 0.000 0.447 229 K N -0.163 119.876 120.400 -0.602 0.000 2.097 229 K HA -0.143 4.177 4.320 0.000 0.000 0.205 229 K C 2.153 178.578 176.600 -0.291 0.000 1.050 229 K CA 1.584 57.367 56.287 -0.840 0.000 0.938 229 K CB -0.107 31.849 32.500 -0.907 0.000 0.718 229 K HN 0.492 nan 8.250 nan 0.000 0.442 230 K N 1.315 121.591 120.400 -0.206 0.000 2.025 230 K HA -0.070 4.251 4.320 0.000 0.000 0.207 230 K C 2.104 178.683 176.600 -0.035 0.000 1.049 230 K CA 0.768 56.947 56.287 -0.180 0.000 0.933 230 K CB -0.005 32.266 32.500 -0.381 0.000 0.714 230 K HN 0.013 nan 8.250 nan 0.000 0.438 231 L N 0.597 121.893 121.223 0.122 0.000 2.042 231 L HA -0.197 4.144 4.340 0.000 0.000 0.210 231 L C 2.606 179.506 176.870 0.050 0.000 1.076 231 L CA 1.393 56.339 54.840 0.176 0.000 0.749 231 L CB -0.550 41.666 42.059 0.261 0.000 0.893 231 L HN 0.328 nan 8.230 nan 0.000 0.432 232 A N -0.362 122.492 122.820 0.056 0.000 1.969 232 A HA -0.118 4.202 4.320 0.000 0.000 0.218 232 A C 2.251 179.853 177.584 0.029 0.000 1.169 232 A CA 1.098 53.150 52.037 0.025 0.000 0.635 232 A CB -0.460 18.693 19.000 0.256 0.000 0.810 232 A HN 0.332 nan 8.150 nan 0.000 0.445 233 L N 0.006 121.241 121.223 0.020 0.000 2.005 233 L HA -0.114 4.226 4.340 0.000 0.000 0.207 233 L C 2.208 179.073 176.870 -0.009 0.000 1.072 233 L CA 1.651 56.491 54.840 0.000 0.000 0.744 233 L CB -0.582 41.453 42.059 -0.040 0.000 0.895 233 L HN 0.641 nan 8.230 nan 0.000 0.433 234 I N -1.757 118.807 120.570 -0.010 0.000 3.493 234 I HA 0.119 4.290 4.170 0.000 0.000 0.311 234 I C 1.246 177.371 176.117 0.012 0.000 1.210 234 I CA 0.603 61.906 61.300 0.005 0.000 1.210 234 I CB -1.229 36.790 38.000 0.032 0.000 0.993 234 I HN 0.397 nan 8.210 nan 0.000 0.539 235 G N 1.483 110.280 108.800 -0.005 0.000 2.186 235 G HA2 -0.292 3.668 3.960 0.000 0.000 0.266 235 G HA3 -0.292 3.668 3.960 0.000 0.000 0.266 235 G C 0.343 175.218 174.900 -0.041 0.000 0.982 235 G CA 0.695 45.781 45.100 -0.022 0.000 0.670 235 G HN 0.524 nan 8.290 nan 0.000 0.533 236 T N 2.254 116.788 114.554 -0.033 0.000 3.390 236 T HA 0.453 4.803 4.350 0.000 0.000 0.315 236 T C -2.054 172.564 174.700 -0.137 0.000 1.799 236 T CA -0.620 61.453 62.100 -0.045 0.000 1.553 236 T CB 1.635 70.528 68.868 0.042 0.000 1.002 236 T HN 0.243 nan 8.240 nan 0.000 0.715 237 P HA 0.148 nan 4.420 nan 0.000 0.232 237 P C -0.147 176.667 177.300 -0.811 0.000 1.738 237 P CA 0.070 62.604 63.100 -0.944 0.000 0.948 237 P CB -0.112 30.936 31.700 -1.085 0.000 1.943 238 S N 1.365 116.923 115.700 -0.237 0.000 2.489 238 S HA 0.374 4.845 4.470 0.000 0.000 0.291 238 S C 1.363 176.129 174.600 0.278 0.000 1.151 238 S CA -0.684 57.528 58.200 0.019 0.000 1.082 238 S CB 0.535 63.760 63.200 0.042 0.000 1.019 238 S HN -0.048 nan 8.310 nan 0.000 0.492 239 M N 3.728 123.514 119.600 0.310 0.000 2.419 239 M HA 0.087 4.567 4.480 0.000 0.000 0.264 239 M C 1.954 178.436 176.300 0.304 0.000 1.082 239 M CA 1.048 56.570 55.300 0.369 0.000 1.119 239 M CB -1.117 31.674 32.600 0.320 0.000 1.398 239 M HN 0.731 nan 8.290 nan 0.000 0.453 240 R N 0.268 120.900 120.500 0.220 0.000 2.062 240 R HA -0.093 4.247 4.340 0.000 0.000 0.229 240 R C 2.091 178.536 176.300 0.241 0.000 1.128 240 R CA 1.066 57.286 56.100 0.200 0.000 0.960 240 R CB 0.190 30.556 30.300 0.109 0.000 0.855 240 R HN 0.224 nan 8.270 nan 0.000 0.432 241 E N 0.719 121.036 120.200 0.194 0.000 2.031 241 E HA -0.220 4.130 4.350 0.000 0.000 0.193 241 E C 1.990 178.781 176.600 0.318 0.000 0.994 241 E CA 1.011 57.528 56.400 0.194 0.000 0.800 241 E CB -0.373 29.452 29.700 0.208 0.000 0.752 241 E HN 0.183 nan 8.360 nan 0.000 0.447 242 L N 0.706 122.148 121.223 0.364 0.000 1.990 242 L HA -0.202 4.138 4.340 0.000 0.000 0.213 242 L C 2.335 179.384 176.870 0.297 0.000 1.072 242 L CA 1.717 56.779 54.840 0.369 0.000 0.755 242 L CB -0.913 41.404 42.059 0.430 0.000 0.889 242 L HN 0.092 nan 8.230 nan 0.000 0.432 243 F N -0.612 119.433 119.950 0.159 0.000 2.171 243 F HA -0.262 4.265 4.527 0.000 0.000 0.300 243 F C 2.682 178.503 175.800 0.034 0.000 1.090 243 F CA 2.093 60.146 58.000 0.089 0.000 1.293 243 F CB -0.542 38.513 39.000 0.091 0.000 1.013 243 F HN 0.411 nan 8.300 nan 0.000 0.486 244 H N -1.010 118.062 119.070 0.003 0.000 2.293 244 H HA -0.231 4.325 4.556 0.000 0.000 0.300 244 H C 2.171 177.290 175.328 -0.348 0.000 1.082 244 H CA 2.469 58.372 56.048 -0.242 0.000 1.308 244 H CB -1.091 28.495 29.762 -0.293 0.000 1.375 244 H HN 0.458 nan 8.280 nan 0.000 0.495 245 W N 1.062 122.255 121.300 -0.179 0.000 2.338 245 W HA -0.184 4.477 4.660 0.001 0.000 0.304 245 W C 2.904 179.213 176.519 -0.350 0.000 1.212 245 W CA 2.048 59.201 57.345 -0.320 0.000 1.264 245 W CB -0.233 28.962 29.460 -0.443 0.000 1.142 245 W HN 0.366 nan 8.180 nan 0.000 0.512 246 T N -5.212 109.311 114.554 -0.052 0.000 3.067 246 T HA 0.064 4.414 4.350 0.000 0.000 0.261 246 T C 1.281 175.795 174.700 -0.311 0.000 1.110 246 T CA 1.467 63.473 62.100 -0.156 0.000 1.113 246 T CB -0.051 68.765 68.868 -0.087 0.000 0.917 246 T HN -0.074 nan 8.240 nan 0.000 0.499 247 T N 0.446 114.708 114.554 -0.486 0.000 3.057 247 T HA 0.396 4.747 4.350 0.000 0.000 0.254 247 T C 1.375 175.756 174.700 -0.532 0.000 0.965 247 T CA -0.217 61.533 62.100 -0.584 0.000 0.978 247 T CB 0.319 68.584 68.868 -1.004 0.000 1.169 247 T HN 0.153 nan 8.240 nan 0.000 0.489 248 I N 1.588 121.773 120.570 -0.640 0.000 2.685 248 I HA 0.388 4.559 4.170 0.000 0.000 0.251 248 I C 1.594 177.360 176.117 -0.585 0.000 1.102 248 I CA 0.128 61.075 61.300 -0.588 0.000 1.442 248 I CB -1.579 36.032 38.000 -0.649 0.000 1.194 248 I HN 0.082 nan 8.210 nan 0.000 0.448 249 A N 2.161 124.470 122.820 -0.851 0.000 2.586 249 A HA 0.158 4.479 4.320 0.000 0.000 0.231 249 A C 1.053 178.507 177.584 -0.218 0.000 1.055 249 A CA 0.621 52.350 52.037 -0.513 0.000 0.756 249 A CB -0.489 18.249 19.000 -0.436 0.000 0.988 249 A HN 0.570 nan 8.150 nan 0.000 0.509 250 T N -0.495 114.004 114.554 -0.092 0.000 2.734 250 T HA 0.201 4.551 4.350 0.000 0.000 0.314 250 T C 0.898 175.630 174.700 0.054 0.000 1.057 250 T CA 0.580 62.680 62.100 -0.000 0.000 1.047 250 T CB 0.057 68.945 68.868 0.034 0.000 0.991 250 T HN 0.440 nan 8.240 nan 0.000 0.540 251 F N 1.225 121.129 119.950 -0.076 0.000 2.046 251 F HA -0.055 4.472 4.527 0.000 0.000 0.297 251 F C 2.273 178.061 175.800 -0.020 0.000 1.123 251 F CA 2.225 60.181 58.000 -0.073 0.000 1.199 251 F CB -0.646 38.304 39.000 -0.084 0.000 0.972 251 F HN 0.627 nan 8.300 nan 0.000 0.474 252 D N 0.051 120.556 120.400 0.174 0.000 2.123 252 D HA -0.186 4.454 4.640 0.000 0.000 0.196 252 D C 1.945 178.298 176.300 0.088 0.000 0.992 252 D CA 1.600 55.664 54.000 0.106 0.000 0.833 252 D CB -0.614 40.247 40.800 0.102 0.000 0.954 252 D HN 0.283 nan 8.370 nan 0.000 0.455 253 D N 0.307 120.779 120.400 0.121 0.000 2.123 253 D HA -0.120 4.521 4.640 0.000 0.000 0.196 253 D C 2.238 178.710 176.300 0.288 0.000 0.992 253 D CA 0.227 54.359 54.000 0.220 0.000 0.833 253 D CB -0.266 40.679 40.800 0.241 0.000 0.954 253 D HN 0.207 nan 8.370 nan 0.000 0.455 254 L N 0.791 122.114 121.223 0.167 0.000 1.976 254 L HA -0.186 4.154 4.340 0.000 0.000 0.209 254 L C 2.573 179.445 176.870 0.004 0.000 1.071 254 L CA 1.290 56.186 54.840 0.093 0.000 0.746 254 L CB -0.113 41.865 42.059 -0.134 0.000 0.890 254 L HN -0.023 nan 8.230 nan 0.000 0.432 255 R N -0.162 120.290 120.500 -0.080 0.000 2.136 255 R HA -0.233 4.107 4.340 0.000 0.000 0.242 255 R C 2.070 178.360 176.300 -0.016 0.000 1.131 255 R CA 1.786 57.851 56.100 -0.058 0.000 0.937 255 R CB -1.544 28.733 30.300 -0.039 0.000 0.863 255 R HN 0.560 nan 8.270 nan 0.000 0.435 256 G N 0.246 109.058 108.800 0.021 0.000 2.442 256 G HA2 -0.287 3.673 3.960 0.000 0.000 0.219 256 G HA3 -0.287 3.673 3.960 0.000 0.000 0.219 256 G C 1.313 176.194 174.900 -0.032 0.000 1.141 256 G CA 0.483 45.592 45.100 0.014 0.000 0.763 256 G HN 0.352 nan 8.290 nan 0.000 0.554 257 F N 0.776 120.587 119.950 -0.233 0.000 2.407 257 F HA 0.218 4.745 4.527 0.001 0.000 0.299 257 F C 2.032 177.627 175.800 -0.342 0.000 1.097 257 F CA 0.589 58.314 58.000 -0.458 0.000 1.422 257 F CB 0.114 38.481 39.000 -1.055 0.000 1.067 257 F HN 0.023 nan 8.300 nan 0.000 0.539 258 L N -0.075 121.037 121.223 -0.184 0.000 2.591 258 L HA 0.067 4.407 4.340 0.000 0.000 0.228 258 L C 0.474 177.236 176.870 -0.181 0.000 1.133 258 L CA 0.077 54.808 54.840 -0.181 0.000 0.880 258 L CB -0.514 41.525 42.059 -0.034 0.000 1.033 258 L HN -0.019 nan 8.230 nan 0.000 0.450 259 E N 0.071 120.163 120.200 -0.181 0.000 2.384 259 E HA 0.225 4.575 4.350 0.000 0.000 0.266 259 E C 1.031 177.520 176.600 -0.184 0.000 1.012 259 E CA 0.628 56.943 56.400 -0.141 0.000 0.901 259 E CB 0.637 30.272 29.700 -0.108 0.000 0.967 259 E HN 0.256 nan 8.360 nan 0.000 0.435 260 G N 2.454 111.169 108.800 -0.140 0.000 2.176 260 G HA2 -0.282 3.678 3.960 0.000 0.000 0.253 260 G HA3 -0.282 3.678 3.960 0.000 0.000 0.253 260 G C 0.372 175.177 174.900 -0.157 0.000 0.979 260 G CA 0.487 45.501 45.100 -0.144 0.000 0.641 260 G HN 0.674 nan 8.290 nan 0.000 0.530 261 T N -2.183 112.274 114.554 -0.162 0.000 2.940 261 T HA 0.709 5.059 4.350 0.000 0.000 0.288 261 T C 1.464 176.100 174.700 -0.106 0.000 1.045 261 T CA -0.331 61.677 62.100 -0.153 0.000 1.018 261 T CB 1.661 70.421 68.868 -0.181 0.000 1.151 261 T HN 0.271 nan 8.240 nan 0.000 0.529 262 L N 0.630 121.797 121.223 -0.094 0.000 2.456 262 L HA 0.110 4.451 4.340 0.000 0.000 0.224 262 L C 2.764 179.584 176.870 -0.084 0.000 1.148 262 L CA 1.048 55.842 54.840 -0.077 0.000 0.825 262 L CB -0.666 41.354 42.059 -0.064 0.000 0.937 262 L HN 0.919 nan 8.230 nan 0.000 0.450 263 A N -0.446 122.333 122.820 -0.069 0.000 2.178 263 A HA -0.104 4.216 4.320 0.000 0.000 0.211 263 A C 2.113 179.679 177.584 -0.030 0.000 1.157 263 A CA 0.544 52.547 52.037 -0.055 0.000 0.780 263 A CB -0.188 18.872 19.000 0.101 0.000 0.828 263 A HN 0.435 nan 8.150 nan 0.000 0.476 264 E N 0.427 120.601 120.200 -0.043 0.000 2.132 264 E HA -0.270 4.080 4.350 0.000 0.000 0.218 264 E C 1.521 178.108 176.600 -0.022 0.000 1.058 264 E CA 2.164 58.541 56.400 -0.037 0.000 0.882 264 E CB -0.177 29.486 29.700 -0.062 0.000 0.774 264 E HN 0.495 nan 8.360 nan 0.000 0.467 265 S N -0.639 115.034 115.700 -0.046 0.000 2.524 265 S HA 0.194 4.665 4.470 0.000 0.000 0.215 265 S C 1.616 176.177 174.600 -0.065 0.000 0.986 265 S CA -0.266 57.911 58.200 -0.038 0.000 0.911 265 S CB 0.228 63.405 63.200 -0.038 0.000 0.805 265 S HN 0.232 nan 8.310 nan 0.000 0.501 266 L N -0.196 120.942 121.223 -0.141 0.000 2.156 266 L HA 0.067 4.408 4.340 0.000 0.000 0.208 266 L C 0.984 177.698 176.870 -0.261 0.000 1.095 266 L CA 1.127 55.813 54.840 -0.256 0.000 0.770 266 L CB -0.271 41.532 42.059 -0.425 0.000 0.914 266 L HN 0.294 nan 8.230 nan 0.000 0.439 267 F N 0.053 119.965 119.950 -0.063 0.000 2.645 267 F HA 0.398 4.926 4.527 0.001 0.000 0.300 267 F C 0.754 176.520 175.800 -0.057 0.000 1.115 267 F CA -0.502 57.447 58.000 -0.085 0.000 1.355 267 F CB -0.272 38.657 39.000 -0.118 0.000 1.026 267 F HN -0.106 nan 8.300 nan 0.000 0.536 268 A N -1.593 121.293 122.820 0.110 0.000 2.572 268 A HA 0.695 5.015 4.320 0.000 0.000 0.295 268 A C 0.755 178.365 177.584 0.044 0.000 1.072 268 A CA -0.048 52.036 52.037 0.079 0.000 0.691 268 A CB 1.093 20.128 19.000 0.058 0.000 1.291 268 A HN 0.504 nan 8.150 nan 0.000 0.404 269 G N -0.451 108.376 108.800 0.044 0.000 2.284 269 G HA2 0.218 4.179 3.960 0.000 0.000 0.201 269 G HA3 0.218 4.179 3.960 0.000 0.000 0.201 269 G C 0.388 175.304 174.900 0.026 0.000 0.998 269 G CA 0.717 45.833 45.100 0.027 0.000 0.651 269 G HN 2.503 nan 8.290 nan 0.000 0.489 270 S N -1.446 114.275 115.700 0.035 0.000 2.727 270 S HA 0.595 5.065 4.470 0.000 0.000 0.278 270 S C 0.395 175.017 174.600 0.037 0.000 1.186 270 S CA 0.091 58.309 58.200 0.029 0.000 0.836 270 S CB 0.857 64.070 63.200 0.022 0.000 1.186 270 S HN -0.018 nan 8.310 nan 0.000 0.499 271 N N 0.518 119.234 118.700 0.027 0.000 2.354 271 N HA 0.002 4.742 4.740 0.000 0.000 0.179 271 N C 1.316 176.845 175.510 0.032 0.000 1.021 271 N CA 1.091 54.156 53.050 0.024 0.000 0.887 271 N CB -0.274 38.221 38.487 0.014 0.000 0.974 271 N HN 0.727 nan 8.380 nan 0.000 0.437 272 E N 1.439 121.658 120.200 0.032 0.000 2.107 272 E HA 0.066 4.417 4.350 0.000 0.000 0.191 272 E C 1.781 178.391 176.600 0.016 0.000 0.982 272 E CA 0.914 57.333 56.400 0.031 0.000 0.809 272 E CB -0.174 29.546 29.700 0.033 0.000 0.756 272 E HN 0.258 nan 8.360 nan 0.000 0.459 273 A N -0.164 122.676 122.820 0.032 0.000 1.898 273 A HA -0.136 4.184 4.320 0.000 0.000 0.216 273 A C 2.412 180.075 177.584 0.132 0.000 1.181 273 A CA 1.818 53.892 52.037 0.062 0.000 0.620 273 A CB -0.689 18.351 19.000 0.067 0.000 0.819 273 A HN 0.275 nan 8.150 nan 0.000 0.442 274 S N -0.493 115.286 115.700 0.132 0.000 2.355 274 S HA -0.153 4.317 4.470 0.000 0.000 0.222 274 S C 2.019 176.713 174.600 0.158 0.000 1.031 274 S CA 1.555 59.884 58.200 0.215 0.000 0.993 274 S CB -0.258 63.029 63.200 0.146 0.000 0.859 274 S HN 0.680 nan 8.310 nan 0.000 0.453 275 K N 1.426 121.865 120.400 0.065 0.000 2.063 275 K HA -0.104 4.216 4.320 0.000 0.000 0.208 275 K C 2.184 178.795 176.600 0.018 0.000 1.048 275 K CA 1.254 57.563 56.287 0.037 0.000 0.928 275 K CB -0.339 32.184 32.500 0.039 0.000 0.713 275 K HN 0.299 nan 8.250 nan 0.000 0.442 276 A N 1.780 124.567 122.820 -0.054 0.000 1.873 276 A HA -0.145 4.175 4.320 0.000 0.000 0.215 276 A C 2.131 179.659 177.584 -0.094 0.000 1.186 276 A CA 1.214 53.075 52.037 -0.292 0.000 0.616 276 A CB -0.699 17.914 19.000 -0.645 0.000 0.823 276 A HN 0.433 nan 8.150 nan 0.000 0.442 277 L N -0.227 120.948 121.223 -0.078 0.000 2.083 277 L HA -0.149 4.192 4.340 0.000 0.000 0.209 277 L C 2.375 179.072 176.870 -0.288 0.000 1.083 277 L CA 2.316 56.806 54.840 -0.584 0.000 0.752 277 L CB -0.823 40.833 42.059 -0.673 0.000 0.899 277 L HN 0.402 nan 8.230 nan 0.000 0.433 278 T N -0.619 113.946 114.554 0.018 0.000 2.833 278 T HA -0.126 4.224 4.350 0.000 0.000 0.269 278 T C 2.029 176.694 174.700 -0.059 0.000 1.054 278 T CA 1.529 63.638 62.100 0.016 0.000 1.135 278 T CB 0.010 68.903 68.868 0.042 0.000 0.869 278 T HN 0.387 nan 8.240 nan 0.000 0.466 279 S N 1.236 116.952 115.700 0.026 0.000 2.371 279 S HA 0.064 4.534 4.470 0.000 0.000 0.224 279 S C 2.608 177.288 174.600 0.134 0.000 1.029 279 S CA 0.792 59.034 58.200 0.069 0.000 0.978 279 S CB -0.481 62.767 63.200 0.080 0.000 0.833 279 S HN 0.577 nan 8.310 nan 0.000 0.466 280 A N 2.481 125.365 122.820 0.107 0.000 1.908 280 A HA -0.154 4.166 4.320 0.000 0.000 0.218 280 A C 2.174 179.737 177.584 -0.034 0.000 1.181 280 A CA 1.222 53.307 52.037 0.080 0.000 0.627 280 A CB -0.451 18.520 19.000 -0.049 0.000 0.818 280 A HN 0.293 nan 8.150 nan 0.000 0.445 281 R N -1.505 118.897 120.500 -0.162 0.000 2.073 281 R HA -0.118 4.222 4.340 0.000 0.000 0.234 281 R C 1.899 178.108 176.300 -0.152 0.000 1.134 281 R CA 1.499 57.457 56.100 -0.237 0.000 0.952 281 R CB -0.922 29.155 30.300 -0.372 0.000 0.850 281 R HN 0.560 nan 8.270 nan 0.000 0.433 282 F N 0.761 120.669 119.950 -0.070 0.000 2.134 282 F HA -0.172 4.355 4.527 0.000 0.000 0.299 282 F C 2.607 178.397 175.800 -0.017 0.000 1.097 282 F CA 0.827 58.789 58.000 -0.062 0.000 1.264 282 F CB -0.970 37.959 39.000 -0.118 0.000 1.001 282 F HN -0.248 nan 8.300 nan 0.000 0.479 283 V N -0.329 119.709 119.914 0.206 0.000 2.255 283 V HA -0.296 3.824 4.120 0.000 0.000 0.247 283 V C 2.420 178.580 176.094 0.110 0.000 1.051 283 V CA 1.458 63.855 62.300 0.162 0.000 1.018 283 V CB -0.758 31.169 31.823 0.174 0.000 0.641 283 V HN 0.175 nan 8.190 nan 0.000 0.445 284 L N 0.910 122.175 121.223 0.070 0.000 2.079 284 L HA -0.151 4.190 4.340 0.000 0.000 0.210 284 L C 2.766 179.696 176.870 0.101 0.000 1.081 284 L CA 2.394 57.262 54.840 0.047 0.000 0.752 284 L CB -1.284 40.770 42.059 -0.007 0.000 0.896 284 L HN 0.591 nan 8.230 nan 0.000 0.433 285 S N -1.656 114.096 115.700 0.087 0.000 2.442 285 S HA -0.164 4.306 4.470 0.000 0.000 0.236 285 S C 1.616 176.340 174.600 0.206 0.000 1.007 285 S CA 1.359 59.650 58.200 0.152 0.000 0.965 285 S CB -0.253 63.008 63.200 0.103 0.000 0.773 285 S HN 0.448 nan 8.310 nan 0.000 0.504 286 D N 0.841 121.335 120.400 0.157 0.000 2.277 286 D HA 0.121 4.761 4.640 0.000 0.000 0.209 286 D C 1.908 178.274 176.300 0.110 0.000 0.970 286 D CA 0.700 54.776 54.000 0.127 0.000 0.874 286 D CB 0.039 40.901 40.800 0.105 0.000 0.982 286 D HN 0.320 nan 8.370 nan 0.000 0.504 287 K N 0.435 120.895 120.400 0.100 0.000 2.166 287 K HA 0.163 4.483 4.320 0.000 0.000 0.201 287 K C 2.234 178.903 176.600 0.115 0.000 1.052 287 K CA 0.128 56.460 56.287 0.076 0.000 0.969 287 K CB -0.090 32.417 32.500 0.012 0.000 0.761 287 K HN 0.198 nan 8.250 nan 0.000 0.459 288 L N 0.953 122.254 121.223 0.131 0.000 2.240 288 L HA -0.021 4.319 4.340 0.000 0.000 0.211 288 L C -0.806 176.150 176.870 0.144 0.000 1.106 288 L CA 0.404 55.345 54.840 0.168 0.000 0.793 288 L CB -1.417 40.809 42.059 0.278 0.000 0.927 288 L HN 0.014 nan 8.230 nan 0.000 0.446 289 P HA -0.252 nan 4.420 nan 0.000 0.219 289 P C 1.287 178.549 177.300 -0.063 0.000 1.161 289 P CA 1.503 64.528 63.100 -0.124 0.000 0.909 289 P CB 0.141 31.843 31.700 0.003 0.000 0.793 290 E N -2.534 117.686 120.200 0.034 0.000 2.347 290 E HA -0.141 4.210 4.350 0.000 0.000 0.196 290 E C 1.627 178.214 176.600 -0.021 0.000 1.008 290 E CA 0.830 57.230 56.400 -0.001 0.000 0.852 290 E CB -0.577 29.101 29.700 -0.036 0.000 0.783 290 E HN 0.400 nan 8.360 nan 0.000 0.505 291 H N -1.646 117.424 119.070 0.002 0.000 2.395 291 H HA -0.002 4.554 4.556 0.000 0.000 0.299 291 H C 1.851 177.234 175.328 0.092 0.000 1.070 291 H CA 1.319 57.426 56.048 0.099 0.000 1.356 291 H CB 0.105 29.953 29.762 0.143 0.000 1.401 291 H HN 0.011 nan 8.280 nan 0.000 0.524 292 V N 0.274 120.260 119.914 0.119 0.000 2.307 292 V HA -0.251 3.870 4.120 0.000 0.000 0.245 292 V C 2.597 178.695 176.094 0.006 0.000 1.045 292 V CA 2.166 64.481 62.300 0.024 0.000 1.024 292 V CB -0.952 30.753 31.823 -0.197 0.000 0.651 292 V HN 0.679 nan 8.190 nan 0.000 0.449 293 T N -2.747 111.786 114.554 -0.035 0.000 2.962 293 T HA -0.087 4.263 4.350 0.000 0.000 0.270 293 T C 1.005 175.669 174.700 -0.060 0.000 1.088 293 T CA 0.533 62.605 62.100 -0.046 0.000 1.127 293 T CB -0.318 68.523 68.868 -0.046 0.000 0.883 293 T HN 0.144 nan 8.240 nan 0.000 0.493 294 M N 2.667 122.266 119.600 -0.002 0.000 2.248 294 M HA 0.239 4.719 4.480 0.000 0.000 0.345 294 M C -2.467 173.887 176.300 0.090 0.000 1.243 294 M CA -2.182 53.152 55.300 0.057 0.000 1.090 294 M CB 0.563 33.289 32.600 0.210 0.000 1.683 294 M HN -0.018 nan 8.290 nan 0.000 0.450 295 P HA 0.001 nan 4.420 nan 0.000 0.265 295 P C -0.460 176.919 177.300 0.133 0.000 1.222 295 P CA 0.100 63.244 63.100 0.074 0.000 0.767 295 P CB 0.192 31.920 31.700 0.046 0.000 0.801 296 D N 2.867 123.334 120.400 0.112 0.000 2.382 296 D HA 0.327 4.968 4.640 0.000 0.000 0.240 296 D C 0.409 176.774 176.300 0.109 0.000 1.146 296 D CA 0.560 54.632 54.000 0.120 0.000 0.897 296 D CB 0.875 41.723 40.800 0.080 0.000 1.197 296 D HN 0.446 nan 8.370 nan 0.000 0.432 297 G N 1.495 110.363 108.800 0.113 0.000 2.428 297 G HA2 0.094 4.054 3.960 0.000 0.000 0.305 297 G HA3 0.094 4.054 3.960 0.000 0.000 0.305 297 G C -0.846 174.112 174.900 0.096 0.000 1.260 297 G CA -0.363 44.802 45.100 0.109 0.000 0.853 297 G HN 0.426 nan 8.290 nan 0.000 0.480 298 D N -0.419 120.055 120.400 0.124 0.000 2.431 298 D HA 0.239 4.879 4.640 0.000 0.000 0.213 298 D C 0.037 176.437 176.300 0.167 0.000 1.130 298 D CA -0.292 53.766 54.000 0.096 0.000 0.834 298 D CB 0.351 41.192 40.800 0.068 0.000 0.985 298 D HN 0.124 nan 8.370 nan 0.000 0.504 299 F N 2.060 122.083 119.950 0.123 0.000 2.538 299 F HA 0.246 4.774 4.527 0.000 0.000 0.371 299 F C 0.371 176.325 175.800 0.257 0.000 1.087 299 F CA -0.337 57.762 58.000 0.166 0.000 1.250 299 F CB 0.779 39.867 39.000 0.147 0.000 1.110 299 F HN -0.291 nan 8.300 nan 0.000 0.570 300 S N 6.779 122.136 115.700 -0.572 0.000 2.519 300 S HA 0.445 4.915 4.470 0.000 0.000 0.309 300 S C 0.991 175.194 174.600 -0.662 0.000 1.100 300 S CA -0.835 57.134 58.200 -0.385 0.000 1.059 300 S CB 0.637 63.726 63.200 -0.184 0.000 1.008 300 S HN 0.706 nan 8.310 nan 0.000 0.478 301 I N 4.571 124.925 120.570 -0.359 0.000 2.394 301 I HA -0.121 4.049 4.170 0.000 0.000 0.251 301 I C 2.513 178.680 176.117 0.082 0.000 1.136 301 I CA 0.776 61.980 61.300 -0.161 0.000 1.425 301 I CB -0.118 37.890 38.000 0.013 0.000 1.079 301 I HN 0.656 nan 8.210 nan 0.000 0.425 302 R N 0.379 120.891 120.500 0.020 0.000 2.070 302 R HA -0.101 4.239 4.340 0.000 0.000 0.233 302 R C 2.489 178.807 176.300 0.031 0.000 1.137 302 R CA 1.743 57.873 56.100 0.049 0.000 0.945 302 R CB -0.528 29.779 30.300 0.011 0.000 0.845 302 R HN 0.233 nan 8.270 nan 0.000 0.430 303 S N 0.428 116.120 115.700 -0.013 0.000 2.382 303 S HA -0.190 4.280 4.470 0.000 0.000 0.228 303 S C 1.385 176.014 174.600 0.047 0.000 1.027 303 S CA 1.253 59.454 58.200 0.000 0.000 0.991 303 S CB -0.343 62.849 63.200 -0.015 0.000 0.823 303 S HN 0.485 nan 8.310 nan 0.000 0.469 304 W N 2.381 123.617 121.300 -0.107 0.000 2.358 304 W HA -0.044 4.617 4.660 0.001 0.000 0.303 304 W C 1.591 178.130 176.519 0.034 0.000 1.208 304 W CA 0.937 58.288 57.345 0.012 0.000 1.274 304 W CB -0.514 28.980 29.460 0.055 0.000 1.138 304 W HN 0.184 nan 8.180 nan 0.000 0.515 305 L N 0.506 121.690 121.223 -0.064 0.000 2.083 305 L HA -0.209 4.132 4.340 0.000 0.000 0.209 305 L C 2.263 178.991 176.870 -0.236 0.000 1.083 305 L CA 1.818 56.509 54.840 -0.249 0.000 0.752 305 L CB -0.737 41.326 42.059 0.007 0.000 0.899 305 L HN 0.060 nan 8.230 nan 0.000 0.433 306 E N -0.939 119.185 120.200 -0.127 0.000 2.358 306 E HA -0.114 4.236 4.350 0.000 0.000 0.195 306 E C 0.323 176.858 176.600 -0.108 0.000 1.010 306 E CA 0.102 56.447 56.400 -0.093 0.000 0.856 306 E CB 0.009 29.685 29.700 -0.041 0.000 0.795 306 E HN 0.259 nan 8.360 nan 0.000 0.504 307 D N 0.961 121.274 120.400 -0.145 0.000 2.365 307 D HA 0.059 4.699 4.640 0.000 0.000 0.237 307 D C -1.892 174.308 176.300 -0.167 0.000 1.190 307 D CA -2.573 51.359 54.000 -0.113 0.000 0.867 307 D CB 1.375 42.143 40.800 -0.053 0.000 1.050 307 D HN -0.226 nan 8.370 nan 0.000 0.491 308 P HA -0.088 nan 4.420 nan 0.000 0.217 308 P C 0.535 177.786 177.300 -0.082 0.000 1.148 308 P CA 0.832 63.870 63.100 -0.103 0.000 0.828 308 P CB 0.266 31.931 31.700 -0.059 0.000 0.783 309 N N -1.124 117.548 118.700 -0.047 0.000 2.295 309 N HA 0.073 4.814 4.740 0.000 0.000 0.221 309 N C 1.493 177.019 175.510 0.026 0.000 1.129 309 N CA 0.268 53.316 53.050 -0.004 0.000 0.836 309 N CB -0.019 38.478 38.487 0.017 0.000 1.040 309 N HN 0.123 nan 8.380 nan 0.000 0.494 310 G N 0.097 108.878 108.800 -0.033 0.000 2.484 310 G HA2 0.173 4.133 3.960 0.000 0.000 0.218 310 G HA3 0.173 4.133 3.960 0.000 0.000 0.218 310 G C 0.937 176.024 174.900 0.311 0.000 1.130 310 G CA 0.656 45.803 45.100 0.078 0.000 0.784 310 G HN 0.496 nan 8.290 nan 0.000 0.543 311 G N -0.052 108.863 108.800 0.191 0.000 2.499 311 G HA2 -0.186 3.774 3.960 0.000 0.000 0.232 311 G HA3 -0.186 3.774 3.960 0.000 0.000 0.232 311 G C -0.667 174.496 174.900 0.439 0.000 1.251 311 G CA -0.148 45.122 45.100 0.284 0.000 0.917 311 G HN 0.547 nan 8.290 nan 0.000 0.580 312 N N -0.187 118.772 118.700 0.432 0.000 2.335 312 N HA 0.644 5.384 4.740 0.000 0.000 0.304 312 N C -0.751 174.866 175.510 0.179 0.000 1.135 312 N CA -0.581 52.694 53.050 0.375 0.000 0.817 312 N CB 2.137 40.680 38.487 0.094 0.000 1.294 312 N HN 0.667 nan 8.380 nan 0.000 0.497 313 L N 1.572 122.725 121.223 -0.117 0.000 2.307 313 L HA 0.529 4.869 4.340 0.000 0.000 0.284 313 L C -1.321 175.292 176.870 -0.428 0.000 1.023 313 L CA -0.655 53.923 54.840 -0.435 0.000 0.810 313 L CB 0.441 41.944 42.059 -0.927 0.000 1.231 313 L HN 0.402 nan 8.230 nan 0.000 0.423 314 F N 5.587 125.427 119.950 -0.184 0.000 2.403 314 F HA 0.426 4.953 4.527 0.000 0.000 0.355 314 F C 0.160 175.893 175.800 -0.111 0.000 1.119 314 F CA -0.428 57.519 58.000 -0.088 0.000 1.007 314 F CB 1.330 40.300 39.000 -0.050 0.000 1.194 314 F HN 0.224 nan 8.300 nan 0.000 0.443 315 I N 3.983 124.612 120.570 0.099 0.000 2.287 315 I HA 0.238 4.408 4.170 0.000 0.000 0.290 315 I C 0.298 176.650 176.117 0.391 0.000 1.069 315 I CA -0.198 61.172 61.300 0.118 0.000 1.237 315 I CB 0.491 38.575 38.000 0.139 0.000 1.418 315 I HN 0.602 nan 8.210 nan 0.000 0.481 316 T N 2.081 116.858 114.554 0.371 0.000 2.949 316 T HA 0.794 5.145 4.350 0.000 0.000 0.287 316 T C -0.949 174.109 174.700 0.596 0.000 1.034 316 T CA -0.713 61.631 62.100 0.406 0.000 1.018 316 T CB 2.058 71.038 68.868 0.188 0.000 1.135 316 T HN 0.695 nan 8.240 nan 0.000 0.532 317 W N -0.845 120.485 121.300 0.050 0.000 3.338 317 W HA 0.606 5.266 4.660 0.000 0.000 0.299 317 W C -1.696 174.746 176.519 -0.128 0.000 1.226 317 W CA -1.271 56.074 57.345 -0.001 0.000 1.183 317 W CB 0.721 30.224 29.460 0.071 0.000 1.360 317 W HN 0.783 nan 8.180 nan 0.000 0.569 318 R N 2.129 122.497 120.500 -0.220 0.000 2.438 318 R HA 0.138 4.478 4.340 0.000 0.000 0.287 318 R C 1.116 177.293 176.300 -0.204 0.000 1.077 318 R CA -0.163 55.719 56.100 -0.364 0.000 1.034 318 R CB 0.937 30.987 30.300 -0.416 0.000 0.993 318 R HN 0.714 nan 8.270 nan 0.000 0.459 319 E N 1.359 121.403 120.200 -0.260 0.000 2.209 319 E HA -0.223 4.127 4.350 0.000 0.000 0.196 319 E C 0.891 177.498 176.600 0.011 0.000 0.993 319 E CA 1.463 57.796 56.400 -0.113 0.000 0.819 319 E CB 0.106 29.728 29.700 -0.129 0.000 0.745 319 E HN 0.626 nan 8.360 nan 0.000 0.477 320 D N -0.383 119.999 120.400 -0.030 0.000 2.378 320 D HA -0.148 4.492 4.640 0.000 0.000 0.227 320 D C 1.213 177.526 176.300 0.022 0.000 1.012 320 D CA 0.687 54.682 54.000 -0.009 0.000 0.905 320 D CB -0.049 40.727 40.800 -0.040 0.000 0.895 320 D HN 0.229 nan 8.370 nan 0.000 0.532 321 M N -0.352 119.295 119.600 0.079 0.000 2.496 321 M HA 0.321 4.801 4.480 0.000 0.000 0.330 321 M C 1.712 178.121 176.300 0.182 0.000 1.133 321 M CA -0.097 55.265 55.300 0.102 0.000 0.964 321 M CB 1.514 34.157 32.600 0.071 0.000 1.401 321 M HN 0.057 nan 8.290 nan 0.000 0.520 322 G N 2.759 111.712 108.800 0.255 0.000 2.476 322 G HA2 -0.176 3.785 3.960 0.000 0.000 0.218 322 G HA3 -0.176 3.785 3.960 0.000 0.000 0.218 322 G C -0.538 174.390 174.900 0.047 0.000 1.164 322 G CA 0.808 46.051 45.100 0.239 0.000 0.768 322 G HN 0.330 nan 8.290 nan 0.000 0.560 323 P HA -0.022 nan 4.420 nan 0.000 0.216 323 P C 2.109 179.406 177.300 -0.005 0.000 1.153 323 P CA 1.910 65.019 63.100 0.015 0.000 0.844 323 P CB -0.210 31.505 31.700 0.025 0.000 0.787 324 A N 0.205 123.030 122.820 0.009 0.000 1.933 324 A HA -0.110 4.210 4.320 0.000 0.000 0.218 324 A C 2.339 179.913 177.584 -0.017 0.000 1.175 324 A CA 1.413 53.458 52.037 0.013 0.000 0.628 324 A CB -1.516 17.504 19.000 0.034 0.000 0.814 324 A HN 0.171 nan 8.150 nan 0.000 0.444 325 L N -1.696 119.489 121.223 -0.064 0.000 2.567 325 L HA 0.106 4.446 4.340 0.000 0.000 0.225 325 L C 2.384 179.081 176.870 -0.288 0.000 1.119 325 L CA 0.128 54.865 54.840 -0.173 0.000 0.871 325 L CB -0.263 41.674 42.059 -0.204 0.000 1.036 325 L HN 0.401 nan 8.230 nan 0.000 0.459 326 R N 0.982 121.350 120.500 -0.220 0.000 2.119 326 R HA -0.203 4.138 4.340 0.000 0.000 0.246 326 R C -0.490 175.698 176.300 -0.187 0.000 1.146 326 R CA 1.982 57.957 56.100 -0.209 0.000 0.962 326 R CB -0.912 29.324 30.300 -0.107 0.000 0.863 326 R HN 0.230 nan 8.270 nan 0.000 0.442 327 P HA -0.182 nan 4.420 nan 0.000 0.214 327 P C 1.292 178.489 177.300 -0.172 0.000 1.162 327 P CA 1.101 64.145 63.100 -0.093 0.000 0.879 327 P CB -0.033 31.658 31.700 -0.014 0.000 0.786 328 L N -0.925 120.088 121.223 -0.349 0.000 1.994 328 L HA -0.161 4.179 4.340 0.000 0.000 0.208 328 L C 2.320 178.629 176.870 -0.936 0.000 1.071 328 L CA 1.761 56.124 54.840 -0.796 0.000 0.745 328 L CB -0.739 40.718 42.059 -1.003 0.000 0.892 328 L HN -0.079 nan 8.230 nan 0.000 0.431 329 I N -0.825 119.357 120.570 -0.647 0.000 2.264 329 I HA -0.321 3.849 4.170 0.000 0.000 0.248 329 I C 2.522 178.531 176.117 -0.181 0.000 1.111 329 I CA 1.237 62.332 61.300 -0.342 0.000 1.382 329 I CB -0.265 37.465 38.000 -0.450 0.000 1.060 329 I HN 0.229 nan 8.210 nan 0.000 0.418 330 S N 0.667 116.251 115.700 -0.194 0.000 2.383 330 S HA -0.108 4.362 4.470 0.000 0.000 0.227 330 S C 2.254 176.834 174.600 -0.032 0.000 1.026 330 S CA 1.212 59.367 58.200 -0.075 0.000 0.981 330 S CB -0.259 62.900 63.200 -0.068 0.000 0.818 330 S HN 0.553 nan 8.310 nan 0.000 0.472 331 A N 1.101 123.858 122.820 -0.106 0.000 1.898 331 A HA -0.090 4.230 4.320 0.000 0.000 0.216 331 A C 1.854 179.484 177.584 0.077 0.000 1.181 331 A CA 1.073 53.107 52.037 -0.006 0.000 0.620 331 A CB -0.759 18.253 19.000 0.019 0.000 0.819 331 A HN 0.616 nan 8.150 nan 0.000 0.442 332 W N -0.047 121.205 121.300 -0.079 0.000 2.381 332 W HA -0.067 4.594 4.660 0.000 0.000 0.301 332 W C 2.267 178.765 176.519 -0.036 0.000 1.205 332 W CA 1.042 58.294 57.345 -0.156 0.000 1.285 332 W CB -1.257 28.029 29.460 -0.290 0.000 1.133 332 W HN 0.181 nan 8.180 nan 0.000 0.521 333 V N 0.256 120.298 119.914 0.213 0.000 2.407 333 V HA -0.279 3.842 4.120 0.000 0.000 0.248 333 V C 1.771 177.959 176.094 0.156 0.000 1.055 333 V CA 2.387 64.785 62.300 0.164 0.000 1.049 333 V CB -0.944 30.958 31.823 0.132 0.000 0.662 333 V HN 0.003 nan 8.190 nan 0.000 0.455 334 D N -0.319 120.173 120.400 0.153 0.000 2.149 334 D HA -0.125 4.515 4.640 0.000 0.000 0.201 334 D C 2.047 178.472 176.300 0.207 0.000 0.972 334 D CA 0.963 55.053 54.000 0.150 0.000 0.835 334 D CB 0.057 40.932 40.800 0.125 0.000 0.966 334 D HN 0.182 nan 8.370 nan 0.000 0.476 335 V N -0.107 119.982 119.914 0.292 0.000 2.392 335 V HA -0.228 3.892 4.120 0.000 0.000 0.249 335 V C 2.440 178.727 176.094 0.321 0.000 1.059 335 V CA 1.203 63.753 62.300 0.417 0.000 1.051 335 V CB -0.322 31.763 31.823 0.437 0.000 0.658 335 V HN 0.180 nan 8.190 nan 0.000 0.455 336 V N -1.235 118.822 119.914 0.238 0.000 2.358 336 V HA -0.274 3.846 4.120 0.000 0.000 0.246 336 V C 2.512 178.705 176.094 0.164 0.000 1.047 336 V CA 2.156 64.579 62.300 0.206 0.000 1.035 336 V CB -0.736 31.198 31.823 0.186 0.000 0.658 336 V HN 0.642 nan 8.190 nan 0.000 0.452 337 C N 0.547 119.929 119.300 0.136 0.000 2.413 337 C HA -0.155 4.305 4.460 0.000 0.000 0.276 337 C C 2.984 178.019 174.990 0.076 0.000 1.248 337 C CA 1.832 60.901 59.018 0.083 0.000 1.742 337 C CB -1.294 26.484 27.740 0.064 0.000 2.017 337 C HN 0.744 nan 8.230 nan 0.000 0.481 338 T N -0.572 114.040 114.554 0.098 0.000 2.894 338 T HA -0.077 4.273 4.350 0.000 0.000 0.258 338 T C 1.847 176.608 174.700 0.102 0.000 1.043 338 T CA 1.455 63.589 62.100 0.056 0.000 1.141 338 T CB -0.475 68.364 68.868 -0.048 0.000 0.873 338 T HN 0.466 nan 8.240 nan 0.000 0.449 339 S N 2.319 118.132 115.700 0.189 0.000 2.400 339 S HA -0.065 4.405 4.470 0.000 0.000 0.232 339 S C 2.107 176.785 174.600 0.130 0.000 1.025 339 S CA 1.182 59.505 58.200 0.205 0.000 0.993 339 S CB -0.557 62.794 63.200 0.253 0.000 0.808 339 S HN 0.679 nan 8.310 nan 0.000 0.478 340 I N -0.589 120.043 120.570 0.103 0.000 3.001 340 I HA 0.044 4.214 4.170 0.000 0.000 0.268 340 I C 1.229 177.372 176.117 0.044 0.000 1.267 340 I CA 1.101 62.439 61.300 0.062 0.000 1.472 340 I CB -0.918 37.109 38.000 0.046 0.000 1.089 340 I HN 0.147 nan 8.210 nan 0.000 0.468 341 L N 1.009 122.263 121.223 0.053 0.000 2.492 341 L HA 0.114 4.454 4.340 0.000 0.000 0.223 341 L C 2.188 179.090 176.870 0.052 0.000 1.132 341 L CA 1.095 55.959 54.840 0.040 0.000 0.850 341 L CB -0.674 41.407 42.059 0.037 0.000 0.966 341 L HN 0.186 nan 8.230 nan 0.000 0.454 342 S N -1.271 114.472 115.700 0.072 0.000 2.524 342 S HA 0.286 4.756 4.470 0.000 0.000 0.215 342 S C 0.719 175.352 174.600 0.055 0.000 0.986 342 S CA -0.348 57.901 58.200 0.083 0.000 0.911 342 S CB 0.188 63.458 63.200 0.118 0.000 0.805 342 S HN 0.122 nan 8.310 nan 0.000 0.501 343 L N 4.165 125.411 121.223 0.038 0.000 2.410 343 L HA 0.249 4.589 4.340 0.000 0.000 0.273 343 L C -1.994 174.880 176.870 0.006 0.000 1.152 343 L CA -1.668 53.182 54.840 0.016 0.000 0.855 343 L CB 0.020 42.080 42.059 0.001 0.000 1.129 343 L HN 0.026 nan 8.230 nan 0.000 0.463 344 P HA -0.013 nan 4.420 nan 0.000 0.267 344 P C -0.261 177.032 177.300 -0.013 0.000 1.209 344 P CA -0.198 62.900 63.100 -0.003 0.000 0.763 344 P CB 0.575 32.272 31.700 -0.004 0.000 0.816 345 E N 2.054 122.246 120.200 -0.013 0.000 2.829 345 E HA -0.152 4.199 4.350 0.000 0.000 0.264 345 E C -0.252 176.333 176.600 -0.024 0.000 0.922 345 E CA 0.787 57.175 56.400 -0.020 0.000 0.960 345 E CB 0.234 29.922 29.700 -0.019 0.000 0.918 345 E HN 0.356 nan 8.360 nan 0.000 0.497 346 E N 5.207 125.389 120.200 -0.030 0.000 2.649 346 E HA 0.243 4.593 4.350 0.000 0.000 0.310 346 E C -2.441 174.136 176.600 -0.037 0.000 1.036 346 E CA -1.604 54.777 56.400 -0.032 0.000 0.772 346 E CB 1.159 30.837 29.700 -0.036 0.000 1.513 346 E HN 0.234 nan 8.360 nan 0.000 0.384 347 P HA -0.172 nan 4.420 nan 0.000 0.220 347 P C 0.746 178.024 177.300 -0.037 0.000 1.144 347 P CA 0.884 63.962 63.100 -0.037 0.000 0.800 347 P CB 0.364 32.045 31.700 -0.031 0.000 0.772 348 K N -0.991 119.389 120.400 -0.032 0.000 2.243 348 K HA 0.014 4.334 4.320 0.000 0.000 0.201 348 K C 1.148 177.728 176.600 -0.032 0.000 1.051 348 K CA 0.251 56.521 56.287 -0.028 0.000 0.970 348 K CB -0.260 32.227 32.500 -0.023 0.000 0.755 348 K HN 0.204 nan 8.250 nan 0.000 0.465 349 R N 1.536 122.011 120.500 -0.042 0.000 2.590 349 R HA 0.071 4.412 4.340 0.000 0.000 0.274 349 R C -0.624 175.640 176.300 -0.061 0.000 1.061 349 R CA 0.266 56.335 56.100 -0.051 0.000 1.081 349 R CB 0.460 30.723 30.300 -0.062 0.000 0.984 349 R HN -0.070 nan 8.270 nan 0.000 0.448 350 R N 4.652 125.120 120.500 -0.053 0.000 2.518 350 R HA 0.315 4.655 4.340 0.000 0.000 0.296 350 R C -1.374 174.888 176.300 -0.063 0.000 1.080 350 R CA -0.744 55.305 56.100 -0.085 0.000 0.922 350 R CB 1.544 31.833 30.300 -0.019 0.000 1.184 350 R HN 0.398 nan 8.270 nan 0.000 0.445 351 L N 3.857 124.997 121.223 -0.138 0.000 2.333 351 L HA 0.532 4.873 4.340 0.000 0.000 0.280 351 L C -1.365 175.446 176.870 -0.098 0.000 1.004 351 L CA -0.536 54.285 54.840 -0.031 0.000 0.820 351 L CB 1.201 43.253 42.059 -0.011 0.000 1.247 351 L HN 0.645 nan 8.230 nan 0.000 0.416 352 W N 5.549 126.921 121.300 0.121 0.000 2.469 352 W HA 0.506 5.166 4.660 0.000 0.000 0.320 352 W C -0.301 176.330 176.519 0.187 0.000 1.086 352 W CA -0.425 57.002 57.345 0.135 0.000 1.211 352 W CB 1.441 31.063 29.460 0.269 0.000 1.298 352 W HN 0.235 nan 8.180 nan 0.000 0.525 353 L N 4.348 125.757 121.223 0.309 0.000 2.318 353 L HA 0.452 4.793 4.340 0.000 0.000 0.277 353 L C -1.514 175.493 176.870 0.228 0.000 1.008 353 L CA -0.833 54.164 54.840 0.262 0.000 0.846 353 L CB 0.372 42.515 42.059 0.139 0.000 1.220 353 L HN 0.310 nan 8.230 nan 0.000 0.423 354 F N 5.697 125.756 119.950 0.182 0.000 2.335 354 F HA 0.351 4.878 4.527 0.000 0.000 0.365 354 F C 0.586 176.478 175.800 0.153 0.000 1.122 354 F CA -0.267 57.830 58.000 0.161 0.000 1.151 354 F CB 0.826 39.883 39.000 0.095 0.000 1.282 354 F HN 0.286 nan 8.300 nan 0.000 0.513 355 I N 3.896 124.621 120.570 0.258 0.000 2.268 355 I HA 0.051 4.221 4.170 0.000 0.000 0.290 355 I C 1.044 177.292 176.117 0.219 0.000 1.125 355 I CA -0.240 61.196 61.300 0.227 0.000 1.236 355 I CB 0.346 38.457 38.000 0.185 0.000 1.469 355 I HN 0.543 nan 8.210 nan 0.000 0.512 356 D N 4.201 124.756 120.400 0.258 0.000 2.708 356 D HA -0.257 4.383 4.640 0.000 0.000 0.217 356 D C 0.626 177.024 176.300 0.165 0.000 1.094 356 D CA 1.917 56.050 54.000 0.222 0.000 0.941 356 D CB 0.364 41.313 40.800 0.248 0.000 1.220 356 D HN 0.314 nan 8.370 nan 0.000 0.495 357 E N -0.014 120.289 120.200 0.172 0.000 2.101 357 E HA 0.115 4.465 4.350 0.000 0.000 0.260 357 E C 0.733 177.407 176.600 0.123 0.000 0.897 357 E CA -0.405 56.070 56.400 0.124 0.000 0.744 357 E CB 1.446 31.221 29.700 0.126 0.000 1.140 357 E HN 0.228 nan 8.360 nan 0.000 0.419 358 L N 3.718 124.995 121.223 0.089 0.000 2.043 358 L HA -0.192 4.148 4.340 0.000 0.000 0.212 358 L C 1.784 178.737 176.870 0.139 0.000 1.075 358 L CA 2.399 57.301 54.840 0.104 0.000 0.752 358 L CB -0.393 41.688 42.059 0.037 0.000 0.891 358 L HN 0.567 nan 8.230 nan 0.000 0.432 359 A N -2.411 120.477 122.820 0.113 0.000 2.206 359 A HA 0.003 4.324 4.320 0.000 0.000 0.211 359 A C 2.181 179.831 177.584 0.110 0.000 1.158 359 A CA 1.128 53.245 52.037 0.134 0.000 0.761 359 A CB -0.482 18.577 19.000 0.098 0.000 0.801 359 A HN 0.471 nan 8.150 nan 0.000 0.473 360 S N -0.433 115.332 115.700 0.108 0.000 2.558 360 S HA 0.282 4.753 4.470 0.000 0.000 0.217 360 S C 0.665 175.302 174.600 0.063 0.000 0.975 360 S CA -0.039 58.218 58.200 0.096 0.000 0.912 360 S CB -0.212 63.071 63.200 0.138 0.000 0.776 360 S HN 0.480 nan 8.310 nan 0.000 0.526 361 L N 1.012 122.278 121.223 0.070 0.000 2.440 361 L HA 0.411 4.751 4.340 0.000 0.000 0.262 361 L C 0.828 177.703 176.870 0.009 0.000 1.072 361 L CA -0.832 54.025 54.840 0.028 0.000 0.798 361 L CB 0.480 42.577 42.059 0.063 0.000 1.307 361 L HN 0.105 nan 8.230 nan 0.000 0.475 362 E N 0.138 120.321 120.200 -0.029 0.000 2.622 362 E HA 0.116 4.467 4.350 0.000 0.000 0.255 362 E C -0.633 175.879 176.600 -0.147 0.000 1.313 362 E CA -0.694 55.659 56.400 -0.079 0.000 1.011 362 E CB 0.625 30.282 29.700 -0.071 0.000 1.173 362 E HN 0.267 nan 8.360 nan 0.000 0.601 363 K N 1.762 121.984 120.400 -0.298 0.000 2.336 363 K HA 0.110 4.430 4.320 0.000 0.000 0.290 363 K C -0.559 175.912 176.600 -0.215 0.000 1.067 363 K CA -0.086 55.837 56.287 -0.605 0.000 0.962 363 K CB -0.186 31.952 32.500 -0.603 0.000 1.008 363 K HN 0.287 nan 8.250 nan 0.000 0.467 364 L N 4.383 125.622 121.223 0.027 0.000 2.360 364 L HA 0.116 4.456 4.340 0.000 0.000 0.276 364 L C 1.393 178.342 176.870 0.131 0.000 1.121 364 L CA -0.438 54.475 54.840 0.122 0.000 0.845 364 L CB 1.236 43.408 42.059 0.189 0.000 1.143 364 L HN 0.784 nan 8.230 nan 0.000 0.452 365 A N 2.299 125.156 122.820 0.063 0.000 1.968 365 A HA -0.083 4.237 4.320 0.000 0.000 0.217 365 A C 2.062 179.675 177.584 0.049 0.000 1.169 365 A CA 1.551 53.615 52.037 0.046 0.000 0.638 365 A CB -0.114 18.895 19.000 0.015 0.000 0.812 365 A HN 0.752 nan 8.150 nan 0.000 0.446 366 S N -0.751 114.980 115.700 0.051 0.000 2.511 366 S HA 0.195 4.665 4.470 0.000 0.000 0.214 366 S C 1.599 176.216 174.600 0.030 0.000 0.997 366 S CA -0.029 58.191 58.200 0.034 0.000 0.908 366 S CB -0.076 63.142 63.200 0.030 0.000 0.803 366 S HN 0.494 nan 8.310 nan 0.000 0.504 367 L N 2.045 123.299 121.223 0.053 0.000 1.990 367 L HA -0.255 4.086 4.340 0.000 0.000 0.213 367 L C 2.622 179.463 176.870 -0.048 0.000 1.072 367 L CA 1.980 56.830 54.840 0.017 0.000 0.755 367 L CB -0.810 41.292 42.059 0.071 0.000 0.889 367 L HN 0.399 nan 8.230 nan 0.000 0.432 368 A N -0.376 122.431 122.820 -0.021 0.000 1.892 368 A HA -0.290 4.031 4.320 0.000 0.000 0.218 368 A C 1.858 179.404 177.584 -0.063 0.000 1.188 368 A CA 2.214 54.218 52.037 -0.054 0.000 0.631 368 A CB -0.722 18.270 19.000 -0.013 0.000 0.822 368 A HN 0.575 nan 8.150 nan 0.000 0.447 369 D N -0.273 120.105 120.400 -0.036 0.000 2.178 369 D HA 0.017 4.658 4.640 0.000 0.000 0.202 369 D C 2.199 178.472 176.300 -0.045 0.000 0.974 369 D CA 1.243 55.224 54.000 -0.032 0.000 0.841 369 D CB -0.306 40.485 40.800 -0.015 0.000 0.953 369 D HN 0.460 nan 8.370 nan 0.000 0.478 370 A N 0.881 123.664 122.820 -0.062 0.000 1.898 370 A HA -0.097 4.224 4.320 0.000 0.000 0.216 370 A C 2.333 179.835 177.584 -0.135 0.000 1.181 370 A CA 0.771 52.761 52.037 -0.079 0.000 0.620 370 A CB -0.687 18.264 19.000 -0.082 0.000 0.819 370 A HN 0.189 nan 8.150 nan 0.000 0.442 371 L N -1.161 119.922 121.223 -0.232 0.000 2.291 371 L HA -0.073 4.267 4.340 0.000 0.000 0.214 371 L C 2.292 179.147 176.870 -0.024 0.000 1.120 371 L CA 1.425 56.064 54.840 -0.335 0.000 0.799 371 L CB -0.294 41.463 42.059 -0.504 0.000 0.925 371 L HN 0.308 nan 8.230 nan 0.000 0.446 372 T N -1.318 113.210 114.554 -0.044 0.000 3.015 372 T HA 0.062 4.412 4.350 0.000 0.000 0.250 372 T C 1.300 175.992 174.700 -0.013 0.000 1.057 372 T CA 0.525 62.613 62.100 -0.019 0.000 1.066 372 T CB 0.335 69.184 68.868 -0.031 0.000 0.959 372 T HN 0.239 nan 8.240 nan 0.000 0.488 373 K N 0.380 120.772 120.400 -0.014 0.000 2.501 373 K HA 0.311 4.631 4.320 0.000 0.000 0.204 373 K C 1.295 177.887 176.600 -0.012 0.000 1.067 373 K CA -0.177 56.102 56.287 -0.014 0.000 1.060 373 K CB 1.088 33.580 32.500 -0.015 0.000 0.873 373 K HN 0.096 nan 8.250 nan 0.000 0.540 374 G N 0.940 109.739 108.800 -0.002 0.000 3.383 374 G HA2 -0.055 3.905 3.960 0.000 0.000 0.251 374 G HA3 -0.055 3.905 3.960 0.000 0.000 0.251 374 G C 1.115 176.000 174.900 -0.024 0.000 1.203 374 G CA -0.195 44.901 45.100 -0.006 0.000 0.852 374 G HN -0.016 nan 8.290 nan 0.000 0.531 375 R N 0.846 121.322 120.500 -0.039 0.000 2.062 375 R HA 0.028 4.368 4.340 0.000 0.000 0.229 375 R C 2.168 178.429 176.300 -0.066 0.000 1.128 375 R CA 0.717 56.773 56.100 -0.072 0.000 0.960 375 R CB -0.085 30.170 30.300 -0.075 0.000 0.855 375 R HN 0.088 nan 8.270 nan 0.000 0.432 376 K N 0.377 120.748 120.400 -0.048 0.000 2.103 376 K HA -0.080 4.240 4.320 0.000 0.000 0.207 376 K C 1.862 178.437 176.600 -0.043 0.000 1.048 376 K CA 1.423 57.685 56.287 -0.042 0.000 0.930 376 K CB -0.326 32.156 32.500 -0.030 0.000 0.716 376 K HN 0.185 nan 8.250 nan 0.000 0.444 377 A N -0.084 122.711 122.820 -0.040 0.000 2.067 377 A HA 0.171 4.491 4.320 0.000 0.000 0.217 377 A C 1.420 178.966 177.584 -0.062 0.000 1.156 377 A CA 1.363 53.376 52.037 -0.040 0.000 0.683 377 A CB -0.202 18.784 19.000 -0.024 0.000 0.808 377 A HN 0.387 nan 8.150 nan 0.000 0.455 378 G N -1.436 107.315 108.800 -0.083 0.000 2.130 378 G HA2 -0.157 3.803 3.960 0.000 0.000 0.216 378 G HA3 -0.157 3.803 3.960 0.000 0.000 0.216 378 G C 0.013 174.813 174.900 -0.167 0.000 0.999 378 G CA 0.108 45.133 45.100 -0.125 0.000 0.686 378 G HN 0.613 nan 8.290 nan 0.000 0.515 379 L N 0.361 121.513 121.223 -0.118 0.000 2.367 379 L HA 0.623 4.963 4.340 0.000 0.000 0.275 379 L C 0.273 177.058 176.870 -0.141 0.000 1.129 379 L CA 0.026 54.803 54.840 -0.104 0.000 0.839 379 L CB 0.450 42.493 42.059 -0.026 0.000 1.133 379 L HN 0.317 nan 8.230 nan 0.000 0.453 380 R N 3.972 124.302 120.500 -0.283 0.000 2.451 380 R HA 0.502 4.842 4.340 0.000 0.000 0.307 380 R C -1.135 175.111 176.300 -0.090 0.000 0.965 380 R CA -0.608 55.268 56.100 -0.374 0.000 0.865 380 R CB 2.221 31.715 30.300 -1.343 0.000 1.174 380 R HN 0.386 nan 8.270 nan 0.000 0.455 381 V N 3.787 123.817 119.914 0.193 0.000 2.427 381 V HA 0.425 4.545 4.120 0.000 0.000 0.286 381 V C -0.186 176.028 176.094 0.201 0.000 1.034 381 V CA -0.790 61.539 62.300 0.049 0.000 0.893 381 V CB 1.870 33.538 31.823 -0.259 0.000 0.982 381 V HN 0.427 nan 8.190 nan 0.000 0.452 382 V N 4.055 124.021 119.914 0.086 0.000 2.407 382 V HA 0.846 4.966 4.120 0.000 0.000 0.291 382 V C 0.187 176.334 176.094 0.089 0.000 1.018 382 V CA -0.332 61.994 62.300 0.045 0.000 0.842 382 V CB 1.437 33.053 31.823 -0.345 0.000 0.996 382 V HN 1.032 nan 8.190 nan 0.000 0.426 383 A N 3.566 126.453 122.820 0.112 0.000 2.401 383 A HA 0.963 5.283 4.320 0.000 0.000 0.310 383 A C 0.030 177.568 177.584 -0.077 0.000 1.075 383 A CA -0.265 51.785 52.037 0.021 0.000 0.746 383 A CB 1.924 20.905 19.000 -0.031 0.000 1.277 383 A HN 1.020 nan 8.150 nan 0.000 0.425 384 G N 0.087 108.875 108.800 -0.020 0.000 2.420 384 G HA2 0.612 4.572 3.960 0.000 0.000 0.331 384 G HA3 0.612 4.572 3.960 0.000 0.000 0.331 384 G C -1.363 173.511 174.900 -0.043 0.000 1.168 384 G CA -0.285 44.801 45.100 -0.024 0.000 0.936 384 G HN 0.527 nan 8.290 nan 0.000 0.479 385 L N -0.296 120.895 121.223 -0.054 0.000 2.409 385 L HA 0.545 4.885 4.340 0.000 0.000 0.255 385 L C 0.674 177.533 176.870 -0.019 0.000 1.027 385 L CA -0.571 54.243 54.840 -0.045 0.000 0.834 385 L CB 2.115 44.119 42.059 -0.091 0.000 1.426 385 L HN 0.759 nan 8.230 nan 0.000 0.411 386 Q N -0.752 119.044 119.800 -0.006 0.000 2.164 386 Q HA 0.375 4.715 4.340 0.000 0.000 0.165 386 Q C -0.478 175.522 176.000 0.000 0.000 0.570 386 Q CA -0.347 55.458 55.803 0.003 0.000 0.759 386 Q CB 0.464 29.210 28.738 0.014 0.000 1.059 386 Q HN 0.593 nan 8.270 nan 0.000 0.464 387 S N 0.811 116.515 115.700 0.006 0.000 2.541 387 S HA 0.189 4.659 4.470 0.000 0.000 0.283 387 S C 0.663 175.266 174.600 0.004 0.000 1.196 387 S CA -0.387 57.816 58.200 0.006 0.000 1.062 387 S CB 1.598 64.805 63.200 0.011 0.000 1.009 387 S HN 0.237 nan 8.310 nan 0.000 0.502 388 T N 2.547 117.101 114.554 0.001 0.000 2.759 388 T HA -0.141 4.209 4.350 0.000 0.000 0.269 388 T C 2.202 176.909 174.700 0.012 0.000 1.042 388 T CA 1.846 63.947 62.100 0.000 0.000 1.140 388 T CB -0.419 68.448 68.868 -0.002 0.000 0.864 388 T HN 0.794 nan 8.240 nan 0.000 0.455 389 S N 1.501 117.210 115.700 0.015 0.000 2.442 389 S HA -0.160 4.310 4.470 0.000 0.000 0.236 389 S C 1.974 176.593 174.600 0.032 0.000 1.007 389 S CA 0.780 58.993 58.200 0.022 0.000 0.965 389 S CB -0.458 62.753 63.200 0.017 0.000 0.773 389 S HN 0.525 nan 8.310 nan 0.000 0.504 390 Q N 0.221 120.041 119.800 0.033 0.000 2.020 390 Q HA 0.005 4.345 4.340 0.000 0.000 0.202 390 Q C 2.208 178.253 176.000 0.074 0.000 0.982 390 Q CA 1.496 57.327 55.803 0.046 0.000 0.838 390 Q CB -0.307 28.456 28.738 0.042 0.000 0.899 390 Q HN 0.486 nan 8.270 nan 0.000 0.423 391 L N 1.003 122.272 121.223 0.076 0.000 2.109 391 L HA -0.149 4.191 4.340 0.000 0.000 0.207 391 L C 1.410 178.375 176.870 0.159 0.000 1.086 391 L CA 1.715 56.635 54.840 0.132 0.000 0.760 391 L CB -0.309 41.777 42.059 0.045 0.000 0.910 391 L HN 0.112 nan 8.230 nan 0.000 0.437 392 D N -0.576 119.877 120.400 0.089 0.000 2.149 392 D HA -0.221 4.419 4.640 0.000 0.000 0.198 392 D C 1.771 178.117 176.300 0.077 0.000 0.990 392 D CA 1.465 55.512 54.000 0.077 0.000 0.839 392 D CB -0.067 40.759 40.800 0.043 0.000 0.948 392 D HN 0.424 nan 8.370 nan 0.000 0.460 393 D N -0.780 119.658 120.400 0.063 0.000 2.234 393 D HA -0.064 4.576 4.640 0.000 0.000 0.205 393 D C 1.892 178.210 176.300 0.031 0.000 0.962 393 D CA 0.363 54.387 54.000 0.040 0.000 0.855 393 D CB 0.343 41.160 40.800 0.029 0.000 0.951 393 D HN -0.028 nan 8.370 nan 0.000 0.500 394 V N -0.393 119.559 119.914 0.063 0.000 2.379 394 V HA -0.141 3.979 4.120 0.000 0.000 0.243 394 V C 1.403 177.428 176.094 -0.116 0.000 1.035 394 V CA 1.263 63.552 62.300 -0.018 0.000 1.035 394 V CB -0.484 31.357 31.823 0.030 0.000 0.673 394 V HN 0.233 nan 8.190 nan 0.000 0.457 395 Y N 0.332 120.636 120.300 0.005 0.000 2.478 395 Y HA 0.536 5.086 4.550 0.000 0.000 0.261 395 Y C 1.293 177.192 175.900 -0.003 0.000 1.127 395 Y CA 0.319 58.421 58.100 0.003 0.000 1.288 395 Y CB 0.117 38.586 38.460 0.014 0.000 1.084 395 Y HN 0.344 nan 8.280 nan 0.000 0.530 396 G N -0.384 108.492 108.800 0.127 0.000 2.692 396 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 396 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 396 G C 0.457 175.403 174.900 0.077 0.000 1.243 396 G CA -0.493 44.650 45.100 0.071 0.000 0.782 396 G HN -0.033 nan 8.290 nan 0.000 0.625 397 V N 1.874 121.815 119.914 0.046 0.000 2.282 397 V HA -0.221 3.899 4.120 0.000 0.000 0.249 397 V C 3.022 179.137 176.094 0.035 0.000 1.057 397 V CA 2.690 65.011 62.300 0.037 0.000 1.032 397 V CB -0.545 31.292 31.823 0.022 0.000 0.645 397 V HN 0.755 nan 8.190 nan 0.000 0.447 398 K N 0.294 120.714 120.400 0.033 0.000 1.985 398 K HA -0.169 4.151 4.320 0.000 0.000 0.210 398 K C 2.092 178.714 176.600 0.036 0.000 1.047 398 K CA 1.766 58.070 56.287 0.028 0.000 0.932 398 K CB -0.545 31.968 32.500 0.022 0.000 0.716 398 K HN 0.612 nan 8.250 nan 0.000 0.439 399 E N 0.551 120.788 120.200 0.061 0.000 2.150 399 E HA -0.107 4.243 4.350 0.000 0.000 0.193 399 E C 1.987 178.611 176.600 0.040 0.000 0.985 399 E CA 0.872 57.319 56.400 0.079 0.000 0.814 399 E CB -0.088 29.707 29.700 0.159 0.000 0.752 399 E HN 0.294 nan 8.360 nan 0.000 0.466 400 A N 1.468 124.321 122.820 0.055 0.000 1.898 400 A HA -0.270 4.051 4.320 0.000 0.000 0.216 400 A C 2.173 179.740 177.584 -0.029 0.000 1.181 400 A CA 1.557 53.583 52.037 -0.019 0.000 0.620 400 A CB -0.515 18.511 19.000 0.043 0.000 0.819 400 A HN 0.219 nan 8.150 nan 0.000 0.442 401 Q N -0.649 119.153 119.800 0.002 0.000 2.061 401 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 401 Q C 2.065 178.070 176.000 0.008 0.000 0.984 401 Q CA 2.354 58.161 55.803 0.006 0.000 0.846 401 Q CB -0.370 28.375 28.738 0.011 0.000 0.902 401 Q HN 0.602 nan 8.270 nan 0.000 0.421 402 T N 1.623 116.180 114.554 0.004 0.000 2.684 402 T HA -0.181 4.169 4.350 0.000 0.000 0.267 402 T C 1.759 176.460 174.700 0.001 0.000 1.036 402 T CA 1.284 63.387 62.100 0.004 0.000 1.148 402 T CB -0.332 68.538 68.868 0.003 0.000 0.863 402 T HN 0.190 nan 8.240 nan 0.000 0.436 403 L N 1.117 122.320 121.223 -0.033 0.000 1.989 403 L HA -0.034 4.306 4.340 0.000 0.000 0.211 403 L C 2.550 179.509 176.870 0.147 0.000 1.071 403 L CA 1.750 56.571 54.840 -0.031 0.000 0.749 403 L CB -0.446 41.472 42.059 -0.235 0.000 0.890 403 L HN 0.094 nan 8.230 nan 0.000 0.431 404 R N -1.046 119.510 120.500 0.094 0.000 2.120 404 R HA -0.088 4.252 4.340 0.000 0.000 0.234 404 R C 2.114 178.539 176.300 0.209 0.000 1.123 404 R CA 1.049 57.233 56.100 0.140 0.000 0.975 404 R CB -0.503 29.802 30.300 0.009 0.000 0.866 404 R HN 0.488 nan 8.270 nan 0.000 0.446 405 A N 0.255 123.148 122.820 0.121 0.000 2.067 405 A HA -0.071 4.249 4.320 0.000 0.000 0.219 405 A C 1.974 179.619 177.584 0.101 0.000 1.158 405 A CA 1.217 53.310 52.037 0.093 0.000 0.661 405 A CB -0.095 18.933 19.000 0.047 0.000 0.801 405 A HN 0.168 nan 8.150 nan 0.000 0.452 406 S N -0.875 114.881 115.700 0.093 0.000 2.489 406 S HA 0.145 4.615 4.470 0.000 0.000 0.228 406 S C -0.117 174.459 174.600 -0.041 0.000 0.995 406 S CA 0.156 58.344 58.200 -0.021 0.000 0.934 406 S CB -0.272 62.834 63.200 -0.156 0.000 0.771 406 S HN 0.462 nan 8.310 nan 0.000 0.522 407 F N 2.061 122.054 119.950 0.071 0.000 2.391 407 F HA 0.399 4.927 4.527 0.000 0.000 0.359 407 F C 1.391 177.232 175.800 0.069 0.000 1.122 407 F CA -0.810 57.254 58.000 0.106 0.000 1.120 407 F CB 0.780 39.821 39.000 0.068 0.000 1.142 407 F HN -0.189 nan 8.300 nan 0.000 0.483 408 R N 0.619 121.236 120.500 0.195 0.000 2.210 408 R HA 0.128 4.468 4.340 0.000 0.000 0.203 408 R C 0.163 176.550 176.300 0.144 0.000 1.010 408 R CA 0.235 56.410 56.100 0.126 0.000 1.008 408 R CB -0.035 30.300 30.300 0.057 0.000 0.923 408 R HN 0.382 nan 8.270 nan 0.000 0.469 409 S N 1.124 116.937 115.700 0.188 0.000 2.475 409 S HA 0.485 4.955 4.470 0.000 0.000 0.298 409 S C -0.764 173.911 174.600 0.126 0.000 1.119 409 S CA -0.628 57.683 58.200 0.186 0.000 1.085 409 S CB 1.669 65.048 63.200 0.298 0.000 1.028 409 S HN 0.037 nan 8.310 nan 0.000 0.489 410 L N 3.724 124.971 121.223 0.041 0.000 2.370 410 L HA 0.812 5.152 4.340 0.000 0.000 0.266 410 L C -1.531 175.312 176.870 -0.044 0.000 1.002 410 L CA -0.482 54.360 54.840 0.003 0.000 0.818 410 L CB 1.937 43.998 42.059 0.003 0.000 1.325 410 L HN 0.441 nan 8.230 nan 0.000 0.418 411 V N 4.762 124.660 119.914 -0.026 0.000 2.569 411 V HA 0.494 4.614 4.120 0.000 0.000 0.301 411 V C -0.913 175.187 176.094 0.009 0.000 1.044 411 V CA -0.652 61.636 62.300 -0.021 0.000 0.874 411 V CB 1.987 33.798 31.823 -0.020 0.000 1.002 411 V HN 0.500 nan 8.190 nan 0.000 0.424 412 V N 6.481 126.426 119.914 0.052 0.000 2.334 412 V HA 0.322 4.442 4.120 0.000 0.000 0.281 412 V C 0.436 176.586 176.094 0.094 0.000 1.016 412 V CA -0.218 62.127 62.300 0.074 0.000 0.832 412 V CB 1.375 33.256 31.823 0.098 0.000 0.999 412 V HN 0.694 nan 8.190 nan 0.000 0.439 413 L N 3.736 124.990 121.223 0.052 0.000 2.592 413 L HA 0.554 4.894 4.340 0.000 0.000 0.227 413 L C 1.151 178.045 176.870 0.040 0.000 1.127 413 L CA 0.883 55.744 54.840 0.037 0.000 0.884 413 L CB -0.609 41.463 42.059 0.022 0.000 1.065 413 L HN 1.000 nan 8.230 nan 0.000 0.457 414 G N -1.587 107.247 108.800 0.056 0.000 3.055 414 G HA2 0.322 4.282 3.960 0.000 0.000 0.685 414 G HA3 0.322 4.282 3.960 0.000 0.000 0.685 414 G C -0.285 174.634 174.900 0.032 0.000 1.212 414 G CA -0.699 44.430 45.100 0.049 0.000 0.822 414 G HN 0.422 nan 8.290 nan 0.000 0.610 415 G N -0.608 108.209 108.800 0.029 0.000 3.140 415 G HA2 0.893 4.853 3.960 0.000 0.000 0.271 415 G HA3 0.893 4.853 3.960 0.000 0.000 0.271 415 G C -0.095 174.814 174.900 0.015 0.000 1.370 415 G CA 0.500 45.611 45.100 0.019 0.000 1.014 415 G HN 1.624 nan 8.290 nan 0.000 0.541 416 S N -1.507 114.200 115.700 0.012 0.000 2.586 416 S HA 0.259 4.729 4.470 0.000 0.000 0.274 416 S C 1.621 176.226 174.600 0.008 0.000 1.281 416 S CA -0.508 57.698 58.200 0.010 0.000 1.035 416 S CB 0.848 64.053 63.200 0.009 0.000 0.962 416 S HN 0.523 nan 8.310 nan 0.000 0.512 417 R N 1.109 121.613 120.500 0.007 0.000 2.148 417 R HA -0.040 4.300 4.340 0.000 0.000 0.227 417 R C 1.909 178.211 176.300 0.005 0.000 1.103 417 R CA 1.554 57.658 56.100 0.006 0.000 0.983 417 R CB -0.981 29.321 30.300 0.005 0.000 0.874 417 R HN 0.791 nan 8.270 nan 0.000 0.451 418 T N -1.599 112.958 114.554 0.005 0.000 3.163 418 T HA -0.072 4.279 4.350 0.000 0.000 0.260 418 T C 0.495 175.198 174.700 0.005 0.000 1.156 418 T CA 0.651 62.754 62.100 0.005 0.000 1.072 418 T CB 0.032 68.903 68.868 0.005 0.000 0.937 418 T HN -0.029 nan 8.240 nan 0.000 0.528 419 D N 1.978 122.381 120.400 0.005 0.000 2.634 419 D HA 0.284 4.924 4.640 0.000 0.000 0.318 419 D C -1.451 174.850 176.300 0.002 0.000 1.226 419 D CA -2.528 51.474 54.000 0.004 0.000 0.899 419 D CB 1.212 42.015 40.800 0.005 0.000 1.025 419 D HN 0.086 nan 8.370 nan 0.000 0.501 420 P HA -0.172 nan 4.420 nan 0.000 0.218 420 P C 1.160 178.458 177.300 -0.003 0.000 1.148 420 P CA 0.858 63.957 63.100 -0.001 0.000 0.822 420 P CB 0.667 32.366 31.700 -0.001 0.000 0.784 421 K N -0.485 119.914 120.400 -0.002 0.000 2.025 421 K HA -0.041 4.279 4.320 0.000 0.000 0.207 421 K C 2.253 178.851 176.600 -0.005 0.000 1.049 421 K CA 1.762 58.047 56.287 -0.003 0.000 0.933 421 K CB -0.734 31.766 32.500 -0.000 0.000 0.714 421 K HN 0.105 nan 8.250 nan 0.000 0.438 422 T N 1.501 116.053 114.554 -0.003 0.000 2.867 422 T HA -0.051 4.300 4.350 0.000 0.000 0.268 422 T C 1.504 176.199 174.700 -0.009 0.000 1.057 422 T CA 0.985 63.082 62.100 -0.006 0.000 1.136 422 T CB -0.168 68.699 68.868 -0.003 0.000 0.874 422 T HN 0.168 nan 8.240 nan 0.000 0.466 423 N N 1.148 119.843 118.700 -0.008 0.000 2.188 423 N HA -0.081 4.659 4.740 0.000 0.000 0.184 423 N C 1.936 177.434 175.510 -0.021 0.000 1.018 423 N CA 1.001 54.044 53.050 -0.011 0.000 0.858 423 N CB -0.256 38.227 38.487 -0.006 0.000 0.989 423 N HN 0.491 nan 8.380 nan 0.000 0.426 424 E N 1.214 121.403 120.200 -0.017 0.000 2.107 424 E HA -0.104 4.246 4.350 0.000 0.000 0.191 424 E C 0.963 177.549 176.600 -0.023 0.000 0.982 424 E CA 1.231 57.619 56.400 -0.020 0.000 0.809 424 E CB -0.104 29.588 29.700 -0.014 0.000 0.756 424 E HN 0.145 nan 8.360 nan 0.000 0.459 425 D N -0.285 120.103 120.400 -0.019 0.000 2.144 425 D HA -0.132 4.508 4.640 0.000 0.000 0.200 425 D C 1.713 177.998 176.300 -0.026 0.000 0.978 425 D CA 1.025 55.014 54.000 -0.019 0.000 0.833 425 D CB -0.099 40.693 40.800 -0.014 0.000 0.961 425 D HN 0.271 nan 8.370 nan 0.000 0.470 426 M N 0.285 119.867 119.600 -0.030 0.000 2.200 426 M HA -0.053 4.428 4.480 0.000 0.000 0.265 426 M C 2.319 178.581 176.300 -0.063 0.000 1.066 426 M CA 0.728 56.005 55.300 -0.039 0.000 1.127 426 M CB -1.215 31.367 32.600 -0.030 0.000 1.379 426 M HN -0.072 nan 8.290 nan 0.000 0.420 427 S N 0.551 116.211 115.700 -0.068 0.000 2.368 427 S HA -0.082 4.388 4.470 0.000 0.000 0.225 427 S C 1.986 176.542 174.600 -0.074 0.000 1.030 427 S CA 0.867 59.012 58.200 -0.091 0.000 0.999 427 S CB -0.167 62.990 63.200 -0.071 0.000 0.844 427 S HN 0.478 nan 8.310 nan 0.000 0.459 428 L N 0.848 122.041 121.223 -0.050 0.000 2.141 428 L HA -0.037 4.304 4.340 0.000 0.000 0.209 428 L C 2.375 179.224 176.870 -0.034 0.000 1.094 428 L CA 1.409 56.227 54.840 -0.037 0.000 0.763 428 L CB -0.516 41.528 42.059 -0.025 0.000 0.908 428 L HN 0.380 nan 8.230 nan 0.000 0.437 429 S N -0.208 115.471 115.700 -0.034 0.000 2.387 429 S HA -0.094 4.376 4.470 0.000 0.000 0.226 429 S C 1.698 176.278 174.600 -0.032 0.000 1.026 429 S CA 0.541 58.727 58.200 -0.025 0.000 0.972 429 S CB -0.057 63.130 63.200 -0.021 0.000 0.814 429 S HN 0.205 nan 8.310 nan 0.000 0.477 430 L N 1.099 122.285 121.223 -0.061 0.000 2.275 430 L HA 0.187 4.527 4.340 0.000 0.000 0.215 430 L C 1.396 178.232 176.870 -0.057 0.000 1.119 430 L CA 1.235 56.028 54.840 -0.078 0.000 0.790 430 L CB -1.845 40.114 42.059 -0.167 0.000 0.919 430 L HN 0.460 nan 8.230 nan 0.000 0.443 431 G N -0.538 108.231 108.800 -0.052 0.000 2.663 431 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 431 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 431 G C -0.421 174.443 174.900 -0.060 0.000 1.288 431 G CA -0.692 44.387 45.100 -0.036 0.000 0.836 431 G HN 0.156 nan 8.290 nan 0.000 0.584 432 E N -0.375 119.800 120.200 -0.042 0.000 2.264 432 E HA 0.691 5.041 4.350 0.000 0.000 0.260 432 E C 0.137 176.734 176.600 -0.006 0.000 0.961 432 E CA -0.667 55.694 56.400 -0.064 0.000 0.834 432 E CB 1.731 31.412 29.700 -0.032 0.000 1.230 432 E HN 0.821 nan 8.360 nan 0.000 0.412 433 H N -1.483 117.527 119.070 -0.100 0.000 2.985 433 H HA 0.521 5.077 4.556 0.000 0.000 0.360 433 H C -1.202 173.970 175.328 -0.261 0.000 1.221 433 H CA -1.011 54.938 56.048 -0.165 0.000 1.121 433 H CB 2.060 31.747 29.762 -0.125 0.000 1.854 433 H HN 0.382 nan 8.280 nan 0.000 0.551 434 E N 2.117 122.143 120.200 -0.290 0.000 2.145 434 E HA 0.457 4.807 4.350 0.000 0.000 0.270 434 E C -1.689 174.545 176.600 -0.610 0.000 0.906 434 E CA -0.881 55.318 56.400 -0.336 0.000 0.761 434 E CB 2.243 31.779 29.700 -0.274 0.000 1.116 434 E HN 0.395 nan 8.360 nan 0.000 0.408 435 V N 3.890 123.476 119.914 -0.546 0.000 2.876 435 V HA 0.290 4.410 4.120 0.000 0.000 0.312 435 V C -0.818 175.109 176.094 -0.278 0.000 1.085 435 V CA -0.720 61.206 62.300 -0.623 0.000 0.945 435 V CB 2.261 33.428 31.823 -1.094 0.000 1.017 435 V HN 0.735 nan 8.190 nan 0.000 0.428 436 E N 3.391 123.498 120.200 -0.154 0.000 2.156 436 E HA 0.542 4.892 4.350 0.000 0.000 0.279 436 E C -0.633 176.011 176.600 0.074 0.000 0.965 436 E CA -0.473 55.910 56.400 -0.027 0.000 0.789 436 E CB 1.494 31.189 29.700 -0.008 0.000 1.098 436 E HN 0.407 nan 8.360 nan 0.000 0.397 437 R N 2.643 123.191 120.500 0.080 0.000 2.628 437 R HA 0.202 4.542 4.340 0.000 0.000 0.288 437 R C -1.290 175.085 176.300 0.125 0.000 0.980 437 R CA -0.791 55.391 56.100 0.136 0.000 0.891 437 R CB 1.177 31.570 30.300 0.154 0.000 1.188 437 R HN 0.430 nan 8.270 nan 0.000 0.450 438 D N 2.931 123.427 120.400 0.160 0.000 2.339 438 D HA 0.060 4.700 4.640 0.000 0.000 0.256 438 D C -0.238 176.200 176.300 0.231 0.000 1.214 438 D CA 0.255 54.374 54.000 0.199 0.000 0.877 438 D CB 0.940 41.928 40.800 0.313 0.000 1.111 438 D HN 0.193 nan 8.370 nan 0.000 0.478 439 R N 4.067 124.666 120.500 0.165 0.000 3.171 439 R HA 0.078 4.418 4.340 0.000 0.000 0.241 439 R C -0.559 175.842 176.300 0.168 0.000 1.421 439 R CA -0.645 55.547 56.100 0.153 0.000 1.444 439 R CB -0.272 30.080 30.300 0.087 0.000 1.247 439 R HN 0.319 nan 8.270 nan 0.000 0.636 440 Y N 0.664 120.981 120.300 0.027 0.000 2.811 440 Y HA -0.104 4.446 4.550 0.000 0.000 0.334 440 Y C 1.116 177.028 175.900 0.018 0.000 1.247 440 Y CA 1.229 59.342 58.100 0.021 0.000 1.526 440 Y CB 0.723 39.196 38.460 0.021 0.000 1.284 440 Y HN 0.369 nan 8.280 nan 0.000 0.586 454 L N 0.851 122.081 121.223 0.011 0.000 2.464 454 L HA 0.512 4.852 4.340 0.000 0.000 0.264 454 L C 0.356 177.238 176.870 0.021 0.000 1.199 454 L CA 0.399 55.254 54.840 0.024 0.000 0.818 454 L CB 0.838 42.906 42.059 0.014 0.000 1.102 454 L HN 0.834 nan 8.230 nan 0.000 0.473 455 E N 2.604 122.818 120.200 0.023 0.000 2.415 455 E HA 0.248 4.598 4.350 0.000 0.000 0.302 455 E C -1.362 175.238 176.600 0.001 0.000 0.907 455 E CA -0.814 55.596 56.400 0.016 0.000 0.798 455 E CB 1.240 30.959 29.700 0.032 0.000 1.315 455 E HN 0.476 nan 8.360 nan 0.000 0.396 456 R N 2.168 122.658 120.500 -0.018 0.000 2.234 456 R HA 0.483 4.823 4.340 0.000 0.000 0.324 456 R C -0.852 175.422 176.300 -0.043 0.000 1.054 456 R CA -0.231 55.841 56.100 -0.046 0.000 0.912 456 R CB 1.567 31.834 30.300 -0.055 0.000 1.030 456 R HN 0.236 nan 8.270 nan 0.000 0.455 457 V N 3.694 123.570 119.914 -0.064 0.000 2.638 457 V HA 0.455 4.575 4.120 0.000 0.000 0.306 457 V C -0.180 175.884 176.094 -0.051 0.000 1.052 457 V CA -0.913 61.364 62.300 -0.037 0.000 0.885 457 V CB 2.042 33.867 31.823 0.004 0.000 0.999 457 V HN 0.652 nan 8.190 nan 0.000 0.424 458 R N 3.337 123.826 120.500 -0.018 0.000 2.346 458 R HA 0.677 5.017 4.340 0.000 0.000 0.311 458 R C -0.598 175.726 176.300 0.040 0.000 0.983 458 R CA -0.320 55.779 56.100 -0.002 0.000 0.880 458 R CB 1.520 31.808 30.300 -0.019 0.000 1.100 458 R HN 1.006 nan 8.270 nan 0.000 0.453 459 E N 2.714 122.961 120.200 0.078 0.000 2.445 459 E HA 0.404 4.754 4.350 0.000 0.000 0.279 459 E C -1.087 175.481 176.600 -0.054 0.000 1.018 459 E CA -1.225 55.205 56.400 0.050 0.000 0.816 459 E CB 1.068 30.852 29.700 0.140 0.000 1.356 459 E HN 0.141 nan 8.360 nan 0.000 0.462 460 R N 0.873 121.351 120.500 -0.036 0.000 2.340 460 R HA 0.187 4.527 4.340 0.000 0.000 0.300 460 R C 0.923 177.169 176.300 -0.090 0.000 1.069 460 R CA -0.231 55.822 56.100 -0.079 0.000 0.984 460 R CB 1.104 31.377 30.300 -0.045 0.000 1.003 460 R HN 0.508 nan 8.270 nan 0.000 0.459 461 V N 2.634 122.431 119.914 -0.195 0.000 2.407 461 V HA -0.128 3.993 4.120 0.000 0.000 0.248 461 V C 0.954 177.097 176.094 0.082 0.000 1.055 461 V CA 1.446 63.690 62.300 -0.095 0.000 1.049 461 V CB 0.004 31.750 31.823 -0.128 0.000 0.662 461 V HN 0.389 nan 8.190 nan 0.000 0.455 462 V N 0.825 120.681 119.914 -0.098 0.000 2.443 462 V HA 0.371 4.491 4.120 0.000 0.000 0.293 462 V C -0.158 175.850 176.094 -0.143 0.000 1.021 462 V CA -0.447 61.730 62.300 -0.205 0.000 0.848 462 V CB 1.576 33.068 31.823 -0.551 0.000 0.998 462 V HN 0.247 nan 8.190 nan 0.000 0.424 463 M N 5.435 124.981 119.600 -0.091 0.000 2.226 463 M HA 0.232 4.713 4.480 0.000 0.000 0.324 463 M C -1.385 174.879 176.300 -0.059 0.000 1.112 463 M CA -1.201 54.064 55.300 -0.059 0.000 1.176 463 M CB 1.072 33.649 32.600 -0.039 0.000 1.430 463 M HN 0.314 nan 8.290 nan 0.000 0.462 464 P HA -0.124 nan 4.420 nan 0.000 0.215 464 P C 0.776 178.066 177.300 -0.016 0.000 1.153 464 P CA 1.561 64.643 63.100 -0.030 0.000 0.853 464 P CB 0.003 31.690 31.700 -0.021 0.000 0.788 465 A N 0.006 122.818 122.820 -0.013 0.000 1.972 465 A HA -0.225 4.095 4.320 0.000 0.000 0.219 465 A C 2.080 179.668 177.584 0.006 0.000 1.169 465 A CA 1.521 53.556 52.037 -0.004 0.000 0.635 465 A CB -1.118 17.878 19.000 -0.006 0.000 0.810 465 A HN 0.200 nan 8.150 nan 0.000 0.446 466 E N -0.480 119.722 120.200 0.003 0.000 2.204 466 E HA -0.114 4.236 4.350 0.000 0.000 0.194 466 E C 1.730 178.379 176.600 0.082 0.000 0.989 466 E CA 1.045 57.468 56.400 0.037 0.000 0.824 466 E CB -0.216 29.501 29.700 0.029 0.000 0.756 466 E HN 0.737 nan 8.360 nan 0.000 0.477 467 I N 0.771 121.369 120.570 0.047 0.000 2.406 467 I HA -0.124 4.046 4.170 0.000 0.000 0.249 467 I C 2.418 178.567 176.117 0.054 0.000 1.122 467 I CA 0.586 61.930 61.300 0.073 0.000 1.431 467 I CB -0.105 37.908 38.000 0.023 0.000 1.087 467 I HN 0.011 nan 8.210 nan 0.000 0.424 468 A N 0.392 123.230 122.820 0.030 0.000 2.119 468 A HA -0.077 4.243 4.320 0.000 0.000 0.217 468 A C 1.722 179.319 177.584 0.022 0.000 1.153 468 A CA 1.226 53.276 52.037 0.021 0.000 0.692 468 A CB -0.397 18.610 19.000 0.011 0.000 0.799 468 A HN 0.416 nan 8.150 nan 0.000 0.458 469 N N -0.385 118.332 118.700 0.028 0.000 2.203 469 N HA 0.203 4.944 4.740 0.000 0.000 0.207 469 N C -0.332 175.194 175.510 0.027 0.000 1.130 469 N CA -0.061 53.003 53.050 0.023 0.000 0.861 469 N CB 0.383 38.881 38.487 0.017 0.000 1.005 469 N HN 0.382 nan 8.380 nan 0.000 0.507 470 L N 3.270 124.517 121.223 0.041 0.000 2.453 470 L HA 0.147 4.487 4.340 0.000 0.000 0.272 470 L C -1.584 175.292 176.870 0.011 0.000 1.182 470 L CA -0.995 53.865 54.840 0.033 0.000 0.858 470 L CB 0.336 42.428 42.059 0.055 0.000 1.120 470 L HN -0.090 nan 8.230 nan 0.000 0.474 471 P HA 0.124 nan 4.420 nan 0.000 0.276 471 P C -1.096 176.199 177.300 -0.010 0.000 1.252 471 P CA -0.660 62.435 63.100 -0.008 0.000 0.802 471 P CB 0.766 32.457 31.700 -0.015 0.000 1.035 472 D N 0.816 121.213 120.400 -0.006 0.000 2.368 472 D HA 0.116 4.756 4.640 0.000 0.000 0.240 472 D C 1.115 177.409 176.300 -0.010 0.000 1.169 472 D CA 0.011 54.008 54.000 -0.004 0.000 0.906 472 D CB 0.177 40.977 40.800 0.000 0.000 1.187 472 D HN 0.421 nan 8.370 nan 0.000 0.435 473 L N -0.426 120.793 121.223 -0.007 0.000 4.089 473 L HA -0.220 4.120 4.340 0.000 0.000 0.408 473 L C -0.320 176.534 176.870 -0.027 0.000 1.184 473 L CA 0.540 55.375 54.840 -0.009 0.000 0.947 473 L CB -2.125 39.932 42.059 -0.004 0.000 2.066 473 L HN 0.351 nan 8.230 nan 0.000 0.851 474 T N -0.364 114.165 114.554 -0.043 0.000 2.886 474 T HA 0.828 5.178 4.350 0.000 0.000 0.292 474 T C -0.164 174.473 174.700 -0.105 0.000 1.012 474 T CA 0.075 62.122 62.100 -0.088 0.000 0.982 474 T CB 2.288 71.094 68.868 -0.102 0.000 1.018 474 T HN 0.390 nan 8.240 nan 0.000 0.451 475 A N 2.247 124.972 122.820 -0.157 0.000 2.549 475 A HA 0.756 5.076 4.320 0.000 0.000 0.297 475 A C -2.024 175.424 177.584 -0.226 0.000 1.061 475 A CA -0.786 51.173 52.037 -0.130 0.000 0.690 475 A CB 1.106 20.076 19.000 -0.049 0.000 1.287 475 A HN 0.756 nan 8.150 nan 0.000 0.402 476 Y N 0.764 121.043 120.300 -0.035 0.000 2.327 476 Y HA 0.468 5.019 4.550 0.000 0.000 0.336 476 Y C 0.254 176.101 175.900 -0.089 0.000 1.035 476 Y CA -0.063 58.010 58.100 -0.045 0.000 1.165 476 Y CB 1.712 40.154 38.460 -0.031 0.000 1.181 476 Y HN 0.391 nan 8.280 nan 0.000 0.494 477 V N 3.024 122.933 119.914 -0.009 0.000 2.398 477 V HA 0.697 4.817 4.120 0.000 0.000 0.286 477 V C 0.228 176.192 176.094 -0.218 0.000 1.026 477 V CA -0.705 61.477 62.300 -0.196 0.000 0.868 477 V CB 1.523 33.153 31.823 -0.322 0.000 0.982 477 V HN 0.917 nan 8.190 nan 0.000 0.443 478 G N 4.156 112.798 108.800 -0.263 0.000 3.003 478 G HA2 0.574 4.534 3.960 0.000 0.000 0.293 478 G HA3 0.574 4.534 3.960 0.000 0.000 0.293 478 G C -0.885 173.937 174.900 -0.130 0.000 1.553 478 G CA -0.295 44.719 45.100 -0.145 0.000 1.078 478 G HN 0.325 nan 8.290 nan 0.000 0.550 479 F N 1.820 121.804 119.950 0.058 0.000 2.444 479 F HA 0.546 5.074 4.527 0.000 0.000 0.331 479 F C 1.281 177.106 175.800 0.040 0.000 1.167 479 F CA -0.258 57.773 58.000 0.051 0.000 1.262 479 F CB 1.063 40.090 39.000 0.045 0.000 1.196 479 F HN 0.570 nan 8.300 nan 0.000 0.583 480 A N 1.556 124.542 122.820 0.276 0.000 2.492 480 A HA 0.457 4.778 4.320 0.000 0.000 0.236 480 A C 0.887 178.537 177.584 0.109 0.000 1.078 480 A CA 0.411 52.533 52.037 0.141 0.000 0.773 480 A CB -0.906 18.147 19.000 0.088 0.000 1.023 480 A HN 1.669 nan 8.150 nan 0.000 0.504 481 G N 0.571 109.414 108.800 0.071 0.000 2.642 481 G HA2 -0.194 3.767 3.960 0.000 0.000 0.231 481 G HA3 -0.194 3.767 3.960 0.000 0.000 0.231 481 G C 0.013 174.950 174.900 0.063 0.000 1.338 481 G CA 0.252 45.385 45.100 0.054 0.000 0.883 481 G HN 1.731 nan 8.290 nan 0.000 0.570 482 N N 1.740 120.471 118.700 0.051 0.000 2.807 482 N HA 0.396 5.136 4.740 0.000 0.000 0.259 482 N C 0.304 175.849 175.510 0.059 0.000 1.149 482 N CA 0.072 53.153 53.050 0.053 0.000 1.042 482 N CB -0.327 38.185 38.487 0.042 0.000 1.367 482 N HN 0.667 nan 8.380 nan 0.000 0.516 483 R N 2.181 122.727 120.500 0.076 0.000 2.707 483 R HA 0.522 4.862 4.340 0.000 0.000 0.272 483 R C -2.712 173.632 176.300 0.075 0.000 1.011 483 R CA -1.520 54.632 56.100 0.087 0.000 0.893 483 R CB 1.110 31.499 30.300 0.148 0.000 1.233 483 R HN 0.327 nan 8.270 nan 0.000 0.464 484 P HA 0.312 nan 4.420 nan 0.000 0.276 484 P C -0.102 177.234 177.300 0.059 0.000 1.261 484 P CA -0.513 62.609 63.100 0.036 0.000 0.800 484 P CB 0.793 32.497 31.700 0.006 0.000 1.066 485 I N -2.804 117.801 120.570 0.059 0.000 2.924 485 I HA 0.857 5.027 4.170 0.000 0.000 0.316 485 I C -0.636 175.540 176.117 0.099 0.000 1.014 485 I CA -1.301 60.039 61.300 0.067 0.000 1.106 485 I CB 1.734 39.782 38.000 0.081 0.000 1.311 485 I HN 0.423 nan 8.210 nan 0.000 0.502 486 A N 2.564 125.447 122.820 0.105 0.000 2.589 486 A HA 0.503 4.823 4.320 0.000 0.000 0.296 486 A C -1.220 176.376 177.584 0.020 0.000 1.062 486 A CA -0.828 51.261 52.037 0.087 0.000 0.686 486 A CB 1.581 20.608 19.000 0.046 0.000 1.282 486 A HN 0.780 nan 8.150 nan 0.000 0.404 487 K N 1.505 121.859 120.400 -0.077 0.000 2.262 487 K HA 0.574 4.894 4.320 0.000 0.000 0.282 487 K C -0.591 175.892 176.600 -0.195 0.000 1.066 487 K CA -0.295 55.772 56.287 -0.367 0.000 0.901 487 K CB 0.672 32.885 32.500 -0.479 0.000 1.089 487 K HN 0.964 nan 8.250 nan 0.000 0.476 488 V N 1.864 121.669 119.914 -0.182 0.000 2.823 488 V HA 0.684 4.804 4.120 0.000 0.000 0.312 488 V C -2.705 173.337 176.094 -0.086 0.000 1.072 488 V CA -2.517 59.726 62.300 -0.095 0.000 0.937 488 V CB 1.543 33.337 31.823 -0.048 0.000 1.013 488 V HN 0.710 nan 8.190 nan 0.000 0.430 489 P HA 0.453 nan 4.420 nan 0.000 0.285 489 P C -1.187 176.105 177.300 -0.013 0.000 1.259 489 P CA -0.328 62.749 63.100 -0.037 0.000 0.794 489 P CB 1.756 33.440 31.700 -0.027 0.000 0.940 490 L N 2.822 124.041 121.223 -0.008 0.000 2.275 490 L HA 0.315 4.655 4.340 0.000 0.000 0.288 490 L C 1.000 177.881 176.870 0.018 0.000 1.046 490 L CA -0.072 54.777 54.840 0.014 0.000 0.805 490 L CB 0.685 42.755 42.059 0.018 0.000 1.193 490 L HN 0.435 nan 8.230 nan 0.000 0.426 491 E N 4.642 124.859 120.200 0.029 0.000 2.167 491 E HA 0.254 4.604 4.350 0.000 0.000 0.284 491 E C -0.655 175.965 176.600 0.033 0.000 1.016 491 E CA -0.576 55.837 56.400 0.023 0.000 0.817 491 E CB 0.771 30.484 29.700 0.022 0.000 1.080 491 E HN 0.520 nan 8.360 nan 0.000 0.397 492 I N 5.578 126.160 120.570 0.020 0.000 2.357 492 I HA 0.056 4.226 4.170 0.000 0.000 0.300 492 I C 0.758 176.874 176.117 -0.002 0.000 1.159 492 I CA 0.035 61.352 61.300 0.028 0.000 1.339 492 I CB -0.092 37.917 38.000 0.016 0.000 1.458 492 I HN 0.384 nan 8.210 nan 0.000 0.577 493 K N 4.986 125.389 120.400 0.005 0.000 2.202 493 K HA 0.190 4.510 4.320 0.000 0.000 0.264 493 K C -0.234 176.234 176.600 -0.220 0.000 1.010 493 K CA -0.550 55.645 56.287 -0.154 0.000 0.940 493 K CB 0.793 33.151 32.500 -0.238 0.000 0.983 493 K HN 0.373 nan 8.250 nan 0.000 0.475 494 Q N 2.659 122.230 119.800 -0.382 0.000 2.271 494 Q HA 0.320 4.660 4.340 0.000 0.000 0.258 494 Q C -1.137 174.515 176.000 -0.579 0.000 0.936 494 Q CA -0.248 55.376 55.803 -0.299 0.000 0.909 494 Q CB 1.165 29.789 28.738 -0.189 0.000 1.253 494 Q HN 0.416 nan 8.270 nan 0.000 0.440 495 F N 0.456 120.301 119.950 -0.174 0.000 2.482 495 F HA 0.564 5.091 4.527 0.000 0.000 0.331 495 F C 0.426 176.096 175.800 -0.217 0.000 1.115 495 F CA -1.052 56.801 58.000 -0.245 0.000 0.955 495 F CB 1.583 40.357 39.000 -0.377 0.000 1.136 495 F HN 0.506 nan 8.300 nan 0.000 0.452 496 A N 2.751 125.539 122.820 -0.055 0.000 2.401 496 A HA 0.240 4.560 4.320 0.000 0.000 0.259 496 A C -0.008 177.523 177.584 -0.089 0.000 1.103 496 A CA -0.546 51.450 52.037 -0.068 0.000 0.789 496 A CB -0.088 18.877 19.000 -0.058 0.000 1.035 496 A HN 0.900 nan 8.150 nan 0.000 0.491 497 N N 1.563 120.211 118.700 -0.087 0.000 2.406 497 N HA 0.077 4.817 4.740 0.000 0.000 0.269 497 N C 0.755 176.210 175.510 -0.091 0.000 1.210 497 N CA -0.203 52.784 53.050 -0.104 0.000 0.966 497 N CB 0.429 38.866 38.487 -0.084 0.000 1.293 497 N HN 0.567 nan 8.380 nan 0.000 0.491 498 R N 1.335 121.771 120.500 -0.107 0.000 2.310 498 R HA 0.099 4.440 4.340 0.000 0.000 0.202 498 R C -0.033 176.216 176.300 -0.086 0.000 0.933 498 R CA 0.585 56.638 56.100 -0.078 0.000 1.054 498 R CB 0.252 30.516 30.300 -0.060 0.000 0.985 498 R HN 0.570 nan 8.270 nan 0.000 0.489 499 Q N 0.274 120.009 119.800 -0.109 0.000 2.426 499 Q HA 0.266 4.607 4.340 0.000 0.000 0.278 499 Q C -2.858 173.081 176.000 -0.101 0.000 1.007 499 Q CA -2.014 53.724 55.803 -0.109 0.000 0.850 499 Q CB 2.883 31.531 28.738 -0.149 0.000 1.427 499 Q HN -0.081 nan 8.270 nan 0.000 0.391 500 P HA 0.062 nan 4.420 nan 0.000 0.271 500 P C 0.078 177.350 177.300 -0.048 0.000 1.233 500 P CA 0.290 63.356 63.100 -0.056 0.000 0.764 500 P CB 0.894 32.562 31.700 -0.054 0.000 0.825 501 A N 4.276 127.081 122.820 -0.024 0.000 1.978 501 A HA -0.097 4.223 4.320 0.000 0.000 0.220 501 A C 0.660 178.318 177.584 0.123 0.000 1.170 501 A CA 1.342 53.377 52.037 -0.004 0.000 0.636 501 A CB -0.636 18.354 19.000 -0.017 0.000 0.810 501 A HN 0.568 nan 8.150 nan 0.000 0.448 502 F N -1.799 118.115 119.950 -0.061 0.000 2.591 502 F HA 0.582 5.109 4.527 0.000 0.000 0.309 502 F C -1.293 174.492 175.800 -0.024 0.000 1.098 502 F CA -1.696 56.285 58.000 -0.031 0.000 0.937 502 F CB 2.029 41.017 39.000 -0.020 0.000 1.250 502 F HN -0.189 nan 8.300 nan 0.000 0.447 503 V N 5.418 124.999 119.914 -0.555 0.000 2.569 503 V HA 0.554 4.674 4.120 0.000 0.000 0.301 503 V C -0.341 175.395 176.094 -0.596 0.000 1.044 503 V CA -0.513 61.513 62.300 -0.457 0.000 0.874 503 V CB 1.361 33.052 31.823 -0.221 0.000 1.002 503 V HN 0.909 nan 8.190 nan 0.000 0.424 504 E N 0.000 119.920 120.200 -0.467 0.000 2.725 504 E HA 0.000 4.350 4.350 0.000 0.000 0.291 504 E CA 0.000 56.213 56.400 -0.312 0.000 0.976 504 E CB 0.000 29.574 29.700 -0.210 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440