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 1gl6_1_F 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 RDRXXXXXXX XXXXXXALER VRERVVMPAE IANLPDLTAY DATA SEQUENCE VGFAGNRPIA KVPLEIKQFA NRQPAFVEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 G HA2 0.000 nan 3.960 nan 0.000 0.244 77 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 77 G C 0.000 174.948 174.900 0.080 0.000 0.946 77 G CA 0.000 45.124 45.100 0.040 0.000 0.502 78 E N -0.515 119.759 120.200 0.124 0.000 2.442 78 E HA 0.165 4.515 4.350 -0.000 0.000 0.195 78 E C 0.606 177.335 176.600 0.215 0.000 1.030 78 E CA -0.241 56.236 56.400 0.129 0.000 0.869 78 E CB 0.206 29.977 29.700 0.118 0.000 0.857 78 E HN 0.275 nan 8.360 nan 0.000 0.505 79 F N 1.480 121.510 119.950 0.134 0.000 2.502 79 F HA 0.335 4.862 4.527 -0.000 0.000 0.371 79 F C 1.444 177.336 175.800 0.154 0.000 1.083 79 F CA -0.787 57.328 58.000 0.191 0.000 1.174 79 F CB 0.748 39.951 39.000 0.337 0.000 1.096 79 F HN 0.023 nan 8.300 nan 0.000 0.545 80 G N 4.674 113.312 108.800 -0.271 0.000 2.501 80 G HA2 0.004 3.964 3.960 -0.000 0.000 0.220 80 G HA3 0.004 3.964 3.960 -0.000 0.000 0.220 80 G C 0.851 175.359 174.900 -0.653 0.000 1.114 80 G CA 0.510 45.393 45.100 -0.361 0.000 0.757 80 G HN 0.998 nan 8.290 nan 0.000 0.559 81 G N -0.548 107.303 108.800 -1.582 0.000 2.543 81 G HA2 0.538 4.498 3.960 -0.000 0.000 0.267 81 G HA3 0.538 4.498 3.960 -0.000 0.000 0.267 81 G C 0.167 174.802 174.900 -0.442 0.000 1.406 81 G CA -0.038 44.501 45.100 -0.935 0.000 1.048 81 G HN 0.542 nan 8.290 nan 0.000 0.548 82 A N 0.417 123.227 122.820 -0.016 0.000 2.492 82 A HA 0.531 4.851 4.320 -0.000 0.000 0.254 82 A C -1.971 175.810 177.584 0.328 0.000 1.091 82 A CA -0.661 51.453 52.037 0.130 0.000 0.768 82 A CB -0.331 18.763 19.000 0.157 0.000 1.028 82 A HN 0.388 nan 8.150 nan 0.000 0.498 83 P HA 0.307 nan 4.420 nan 0.000 0.268 83 P C -0.626 176.825 177.300 0.252 0.000 1.208 83 P CA 0.394 63.603 63.100 0.182 0.000 0.777 83 P CB 0.219 31.938 31.700 0.030 0.000 0.875 84 F N -0.999 119.054 119.950 0.171 0.000 2.603 84 F HA 0.618 5.145 4.527 -0.000 0.000 0.317 84 F C 1.168 177.009 175.800 0.068 0.000 1.066 84 F CA -1.239 56.821 58.000 0.100 0.000 0.941 84 F CB 1.299 40.336 39.000 0.061 0.000 1.291 84 F HN 0.120 nan 8.300 nan 0.000 0.472 85 K N 0.169 120.704 120.400 0.226 0.000 2.116 85 K HA 0.127 4.446 4.320 -0.000 0.000 0.203 85 K C 0.082 176.791 176.600 0.181 0.000 1.052 85 K CA 0.785 57.148 56.287 0.128 0.000 0.952 85 K CB 0.265 32.824 32.500 0.098 0.000 0.729 85 K HN 0.795 nan 8.250 nan 0.000 0.446 86 R N -0.050 120.641 120.500 0.320 0.000 2.536 86 R HA 0.095 4.435 4.340 -0.000 0.000 0.269 86 R C -1.905 174.567 176.300 0.287 0.000 1.113 86 R CA -0.639 55.635 56.100 0.290 0.000 0.948 86 R CB 0.758 31.140 30.300 0.135 0.000 1.237 86 R HN -0.036 nan 8.270 nan 0.000 0.441 87 F N 5.842 125.898 119.950 0.177 0.000 2.438 87 F HA 0.280 4.807 4.527 -0.000 0.000 0.356 87 F C 0.032 175.779 175.800 -0.088 0.000 1.099 87 F CA -0.271 57.693 58.000 -0.060 0.000 1.185 87 F CB 0.811 39.856 39.000 0.075 0.000 1.115 87 F HN 0.574 nan 8.300 nan 0.000 0.526 88 L N 4.472 125.260 121.223 -0.726 0.000 2.187 88 L HA 0.268 4.608 4.340 -0.000 0.000 0.197 88 L C 0.082 176.646 176.870 -0.510 0.000 1.090 88 L CA 0.248 54.813 54.840 -0.460 0.000 0.781 88 L CB -0.135 41.697 42.059 -0.378 0.000 0.956 88 L HN 0.612 nan 8.230 nan 0.000 0.463 89 R N -1.696 118.290 120.500 -0.856 0.000 2.716 89 R HA 0.702 5.042 4.340 -0.000 0.000 0.271 89 R C -0.525 175.542 176.300 -0.390 0.000 1.028 89 R CA -0.292 55.555 56.100 -0.423 0.000 0.883 89 R CB 0.775 30.971 30.300 -0.175 0.000 1.250 89 R HN 0.175 nan 8.270 nan 0.000 0.465 90 G N -0.097 108.722 108.800 0.032 0.000 2.428 90 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.202 90 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.202 90 G C -1.081 173.993 174.900 0.290 0.000 1.247 90 G CA -0.484 44.680 45.100 0.106 0.000 1.020 90 G HN 0.702 nan 8.290 nan 0.000 0.529 91 T N 2.375 117.051 114.554 0.202 0.000 2.814 91 T HA 0.518 4.868 4.350 -0.000 0.000 0.297 91 T C 0.768 175.622 174.700 0.255 0.000 0.956 91 T CA 0.261 62.461 62.100 0.166 0.000 1.123 91 T CB 0.273 69.175 68.868 0.056 0.000 0.902 91 T HN 0.723 nan 8.240 nan 0.000 0.528 92 R N 3.412 123.993 120.500 0.134 0.000 2.532 92 R HA 0.688 5.028 4.340 -0.000 0.000 0.295 92 R C -0.824 175.503 176.300 0.044 0.000 0.968 92 R CA -0.841 55.265 56.100 0.010 0.000 0.916 92 R CB 1.361 31.442 30.300 -0.364 0.000 1.124 92 R HN 0.572 nan 8.270 nan 0.000 0.463 93 I N 2.632 123.260 120.570 0.097 0.000 2.493 93 I HA 0.470 4.640 4.170 -0.000 0.000 0.298 93 I C -1.120 175.072 176.117 0.125 0.000 0.998 93 I CA -1.147 60.235 61.300 0.137 0.000 1.137 93 I CB 1.979 40.109 38.000 0.218 0.000 1.310 93 I HN 0.476 nan 8.210 nan 0.000 0.445 94 V N 5.438 125.418 119.914 0.109 0.000 3.130 94 V HA 0.469 4.589 4.120 -0.000 0.000 0.310 94 V C -0.168 175.976 176.094 0.083 0.000 1.158 94 V CA -0.415 61.934 62.300 0.081 0.000 1.029 94 V CB 2.766 34.619 31.823 0.051 0.000 1.057 94 V HN 0.909 nan 8.190 nan 0.000 0.436 95 S N 2.056 117.793 115.700 0.063 0.000 2.589 95 S HA 0.292 4.762 4.470 -0.000 0.000 0.265 95 S C 1.359 175.984 174.600 0.042 0.000 1.342 95 S CA 0.273 58.502 58.200 0.049 0.000 1.005 95 S CB 1.143 64.365 63.200 0.036 0.000 0.909 95 S HN 1.344 nan 8.310 nan 0.000 0.555 96 G N 1.364 110.180 108.800 0.027 0.000 2.545 96 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 96 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 96 G C 1.440 176.363 174.900 0.039 0.000 1.218 96 G CA 0.705 45.821 45.100 0.026 0.000 0.787 96 G HN 1.085 nan 8.290 nan 0.000 0.571 97 G N 0.585 109.404 108.800 0.031 0.000 2.442 97 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 97 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 97 G C 1.766 176.687 174.900 0.036 0.000 1.141 97 G CA 1.547 46.666 45.100 0.032 0.000 0.763 97 G HN 0.562 nan 8.290 nan 0.000 0.554 98 K N -0.078 120.343 120.400 0.035 0.000 2.057 98 K HA 0.001 4.321 4.320 -0.000 0.000 0.207 98 K C 2.272 178.898 176.600 0.045 0.000 1.049 98 K CA 0.968 57.275 56.287 0.034 0.000 0.931 98 K CB -0.496 32.023 32.500 0.031 0.000 0.714 98 K HN 0.245 nan 8.250 nan 0.000 0.440 99 L N 1.255 122.514 121.223 0.061 0.000 2.056 99 L HA -0.078 4.261 4.340 -0.000 0.000 0.207 99 L C 1.651 178.578 176.870 0.094 0.000 1.078 99 L CA 1.815 56.708 54.840 0.088 0.000 0.749 99 L CB -0.429 41.698 42.059 0.113 0.000 0.901 99 L HN 0.115 nan 8.230 nan 0.000 0.433 100 K N -0.692 119.758 120.400 0.084 0.000 2.152 100 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 100 K C 2.093 178.723 176.600 0.050 0.000 1.048 100 K CA 1.656 57.988 56.287 0.076 0.000 0.933 100 K CB -0.178 32.360 32.500 0.063 0.000 0.721 100 K HN 0.419 nan 8.250 nan 0.000 0.447 101 R N 0.129 120.653 120.500 0.040 0.000 2.100 101 R HA 0.082 4.422 4.340 -0.000 0.000 0.220 101 R C 2.353 178.665 176.300 0.021 0.000 1.091 101 R CA 0.932 57.048 56.100 0.026 0.000 0.986 101 R CB -0.173 30.140 30.300 0.021 0.000 0.888 101 R HN 0.163 nan 8.270 nan 0.000 0.444 102 M N 0.538 120.155 119.600 0.028 0.000 2.086 102 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 102 M C 2.382 178.688 176.300 0.010 0.000 1.067 102 M CA 2.205 57.518 55.300 0.022 0.000 1.116 102 M CB -0.531 32.090 32.600 0.034 0.000 1.348 102 M HN 0.231 nan 8.290 nan 0.000 0.407 103 T N -1.747 112.816 114.554 0.016 0.000 3.055 103 T HA -0.022 4.328 4.350 -0.000 0.000 0.265 103 T C 0.987 175.657 174.700 -0.050 0.000 1.111 103 T CA -0.056 62.021 62.100 -0.037 0.000 1.118 103 T CB -0.321 68.511 68.868 -0.061 0.000 0.909 103 T HN 0.279 nan 8.240 nan 0.000 0.501 104 R N 1.619 122.110 120.500 -0.015 0.000 2.538 104 R HA 0.154 4.494 4.340 -0.000 0.000 0.282 104 R C -0.420 175.866 176.300 -0.022 0.000 1.009 104 R CA 0.476 56.568 56.100 -0.013 0.000 1.063 104 R CB 0.218 30.520 30.300 0.003 0.000 0.945 104 R HN 0.500 nan 8.270 nan 0.000 0.414 105 E N 2.514 122.699 120.200 -0.025 0.000 2.378 105 E HA 0.154 4.504 4.350 -0.000 0.000 0.265 105 E C 0.044 176.634 176.600 -0.016 0.000 0.932 105 E CA -0.993 55.392 56.400 -0.025 0.000 0.795 105 E CB 1.761 31.439 29.700 -0.037 0.000 1.296 105 E HN 0.432 nan 8.360 nan 0.000 0.438 106 K N 0.517 120.908 120.400 -0.015 0.000 1.985 106 K HA -0.036 4.284 4.320 -0.000 0.000 0.210 106 K C 0.806 177.400 176.600 -0.009 0.000 1.047 106 K CA 1.244 57.525 56.287 -0.010 0.000 0.932 106 K CB -0.358 32.136 32.500 -0.010 0.000 0.716 106 K HN 0.474 nan 8.250 nan 0.000 0.439 107 A N 1.663 124.476 122.820 -0.012 0.000 2.429 107 A HA 0.048 4.368 4.320 -0.000 0.000 0.242 107 A C -0.364 177.216 177.584 -0.006 0.000 1.088 107 A CA -0.138 51.893 52.037 -0.009 0.000 0.784 107 A CB 0.022 19.016 19.000 -0.011 0.000 1.038 107 A HN 0.215 nan 8.150 nan 0.000 0.501 108 K N 0.908 121.307 120.400 -0.002 0.000 2.448 108 K HA 0.188 4.508 4.320 -0.000 0.000 0.278 108 K C -0.137 176.467 176.600 0.007 0.000 1.009 108 K CA 0.560 56.847 56.287 -0.000 0.000 0.995 108 K CB 0.310 32.810 32.500 0.000 0.000 0.917 108 K HN 0.721 nan 8.250 nan 0.000 0.481 109 Q N 0.652 120.456 119.800 0.005 0.000 2.458 109 Q HA 0.451 4.791 4.340 -0.000 0.000 0.282 109 Q C -0.679 175.334 176.000 0.021 0.000 1.106 109 Q CA -1.125 54.688 55.803 0.017 0.000 0.814 109 Q CB 2.193 30.930 28.738 -0.003 0.000 1.425 109 Q HN 0.469 nan 8.270 nan 0.000 0.437 110 V N -2.015 117.929 119.914 0.050 0.000 2.966 110 V HA 0.827 4.947 4.120 -0.000 0.000 0.317 110 V C -0.141 175.989 176.094 0.059 0.000 1.070 110 V CA -0.595 61.722 62.300 0.028 0.000 1.008 110 V CB 1.445 33.283 31.823 0.024 0.000 1.070 110 V HN 0.927 nan 8.190 nan 0.000 0.457 111 T N -0.557 114.035 114.554 0.064 0.000 2.887 111 T HA 0.751 5.101 4.350 -0.000 0.000 0.288 111 T C -0.752 174.041 174.700 0.154 0.000 1.021 111 T CA -0.682 61.490 62.100 0.121 0.000 1.000 111 T CB 1.554 70.487 68.868 0.109 0.000 1.034 111 T HN 0.830 nan 8.240 nan 0.000 0.467 112 V N 2.543 122.593 119.914 0.227 0.000 2.326 112 V HA 0.658 4.778 4.120 -0.000 0.000 0.281 112 V C 0.849 177.027 176.094 0.140 0.000 1.015 112 V CA -0.219 62.202 62.300 0.202 0.000 0.823 112 V CB -0.004 31.987 31.823 0.281 0.000 1.009 112 V HN 1.621 nan 8.190 nan 0.000 0.436 113 A N 4.061 126.943 122.820 0.103 0.000 2.791 113 A HA 0.027 4.347 4.320 -0.000 0.000 0.292 113 A C 1.788 179.418 177.584 0.077 0.000 1.487 113 A CA 1.310 53.390 52.037 0.072 0.000 0.760 113 A CB -1.519 17.501 19.000 0.033 0.000 1.031 113 A HN 2.541 nan 8.150 nan 0.000 0.503 114 G N -3.694 105.166 108.800 0.099 0.000 2.225 114 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.254 114 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.254 114 G C 0.403 175.368 174.900 0.108 0.000 0.988 114 G CA 0.464 45.618 45.100 0.091 0.000 0.625 114 G HN 1.913 nan 8.290 nan 0.000 0.527 115 V N 3.470 123.475 119.914 0.152 0.000 2.383 115 V HA 0.465 4.585 4.120 -0.000 0.000 0.275 115 V C -1.476 174.759 176.094 0.234 0.000 1.036 115 V CA -1.632 60.795 62.300 0.212 0.000 0.889 115 V CB 1.447 33.458 31.823 0.314 0.000 0.985 115 V HN 0.226 nan 8.190 nan 0.000 0.459 116 P HA 0.084 nan 4.420 nan 0.000 0.267 116 P C -0.416 176.846 177.300 -0.064 0.000 1.205 116 P CA -0.197 62.935 63.100 0.054 0.000 0.765 116 P CB 0.737 32.447 31.700 0.017 0.000 0.828 117 M N 5.728 125.268 119.600 -0.101 0.000 2.162 117 M HA 0.325 4.805 4.480 -0.000 0.000 0.356 117 M C -2.392 173.682 176.300 -0.376 0.000 1.303 117 M CA -2.262 52.780 55.300 -0.431 0.000 1.116 117 M CB 0.822 33.396 32.600 -0.044 0.000 1.632 117 M HN 0.080 nan 8.290 nan 0.000 0.469 118 P HA 0.007 nan 4.420 nan 0.000 0.261 118 P C -0.264 176.930 177.300 -0.176 0.000 1.183 118 P CA 0.264 63.184 63.100 -0.300 0.000 0.761 118 P CB 0.367 31.881 31.700 -0.310 0.000 0.785 119 R N 2.913 123.349 120.500 -0.107 0.000 2.139 119 R HA -0.202 4.138 4.340 -0.000 0.000 0.243 119 R C 1.211 177.461 176.300 -0.083 0.000 1.145 119 R CA 2.206 58.265 56.100 -0.068 0.000 0.976 119 R CB -0.682 29.588 30.300 -0.050 0.000 0.866 119 R HN 0.650 nan 8.270 nan 0.000 0.449 120 D N -0.239 120.107 120.400 -0.090 0.000 2.347 120 D HA -0.033 4.607 4.640 -0.000 0.000 0.215 120 D C 1.344 177.584 176.300 -0.100 0.000 0.976 120 D CA 0.785 54.730 54.000 -0.091 0.000 0.884 120 D CB 0.126 40.881 40.800 -0.074 0.000 0.915 120 D HN 0.164 nan 8.370 nan 0.000 0.526 121 A N 0.121 122.884 122.820 -0.095 0.000 2.238 121 A HA 0.057 4.377 4.320 -0.000 0.000 0.210 121 A C 1.900 179.444 177.584 -0.066 0.000 1.179 121 A CA 0.112 52.114 52.037 -0.058 0.000 0.827 121 A CB -0.327 18.665 19.000 -0.013 0.000 0.856 121 A HN 0.157 nan 8.150 nan 0.000 0.488 122 E N 0.490 120.630 120.200 -0.100 0.000 2.017 122 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 122 E C -0.776 175.615 176.600 -0.348 0.000 0.997 122 E CA 1.492 57.796 56.400 -0.160 0.000 0.804 122 E CB -0.582 29.022 29.700 -0.160 0.000 0.757 122 E HN 0.504 nan 8.360 nan 0.000 0.448 123 P HA -0.019 nan 4.420 nan 0.000 0.245 123 P C 0.440 177.283 177.300 -0.761 0.000 1.212 123 P CA 0.663 63.476 63.100 -0.478 0.000 0.774 123 P CB 0.317 31.827 31.700 -0.317 0.000 0.999 124 R N -0.941 119.213 120.500 -0.578 0.000 2.317 124 R HA 0.113 4.453 4.340 -0.000 0.000 0.208 124 R C 0.276 176.258 176.300 -0.529 0.000 0.914 124 R CA -0.170 55.618 56.100 -0.520 0.000 1.060 124 R CB -0.928 29.258 30.300 -0.189 0.000 1.015 124 R HN 0.364 nan 8.270 nan 0.000 0.498 125 H N -1.229 117.793 119.070 -0.079 0.000 4.747 125 H HA -0.196 4.359 4.556 -0.000 0.000 0.260 125 H C -0.805 174.662 175.328 0.231 0.000 0.537 125 H CA 0.201 56.247 56.048 -0.004 0.000 0.689 125 H CB -0.908 28.680 29.762 -0.290 0.000 0.913 125 H HN 0.100 nan 8.280 nan 0.000 0.306 126 L N 1.419 122.959 121.223 0.528 0.000 2.410 126 L HA 0.605 4.944 4.340 -0.000 0.000 0.270 126 L C -1.373 175.688 176.870 0.318 0.000 0.983 126 L CA -0.749 54.334 54.840 0.405 0.000 0.822 126 L CB 1.644 43.896 42.059 0.321 0.000 1.285 126 L HN 0.507 nan 8.230 nan 0.000 0.409 127 L N 5.573 126.851 121.223 0.092 0.000 2.313 127 L HA 0.722 5.062 4.340 -0.000 0.000 0.283 127 L C -1.206 175.616 176.870 -0.081 0.000 1.013 127 L CA -0.325 54.385 54.840 -0.216 0.000 0.816 127 L CB 1.970 43.784 42.059 -0.408 0.000 1.236 127 L HN 0.411 nan 8.230 nan 0.000 0.419 128 V N 4.663 124.534 119.914 -0.072 0.000 2.326 128 V HA 0.441 4.561 4.120 -0.000 0.000 0.281 128 V C -0.363 175.712 176.094 -0.031 0.000 1.015 128 V CA -0.668 61.622 62.300 -0.016 0.000 0.823 128 V CB 1.208 33.051 31.823 0.034 0.000 1.009 128 V HN 0.812 nan 8.190 nan 0.000 0.436 129 N N 3.312 121.997 118.700 -0.026 0.000 2.408 129 N HA 0.774 5.514 4.740 -0.000 0.000 0.280 129 N C -0.225 175.287 175.510 0.005 0.000 1.002 129 N CA 0.103 53.140 53.050 -0.021 0.000 0.907 129 N CB 1.708 40.177 38.487 -0.031 0.000 1.161 129 N HN 0.930 nan 8.380 nan 0.000 0.488 130 G N 0.869 109.674 108.800 0.009 0.000 2.655 130 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 130 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 130 G C -1.194 173.717 174.900 0.019 0.000 1.485 130 G CA -0.413 44.699 45.100 0.020 0.000 0.869 130 G HN 0.729 nan 8.290 nan 0.000 0.540 131 A N 0.447 123.279 122.820 0.020 0.000 2.366 131 A HA 0.659 4.979 4.320 -0.000 0.000 0.250 131 A C 1.150 178.746 177.584 0.019 0.000 1.099 131 A CA 0.786 52.833 52.037 0.018 0.000 0.794 131 A CB 0.249 19.260 19.000 0.017 0.000 1.056 131 A HN 1.866 nan 8.150 nan 0.000 0.499 132 T N -0.377 114.188 114.554 0.018 0.000 2.867 132 T HA 0.426 4.776 4.350 -0.000 0.000 0.297 132 T C 1.263 175.971 174.700 0.014 0.000 0.989 132 T CA 1.405 63.516 62.100 0.017 0.000 1.159 132 T CB -0.431 68.446 68.868 0.016 0.000 0.928 132 T HN 2.394 nan 8.240 nan 0.000 0.538 133 G N 3.318 112.126 108.800 0.014 0.000 2.157 133 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.239 133 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.239 133 G C 0.878 175.786 174.900 0.013 0.000 0.982 133 G CA 0.879 45.986 45.100 0.011 0.000 0.650 133 G HN 1.316 nan 8.290 nan 0.000 0.527 134 T N -2.384 112.181 114.554 0.017 0.000 3.088 134 T HA 0.446 4.795 4.350 -0.000 0.000 0.259 134 T C 2.089 176.801 174.700 0.020 0.000 1.122 134 T CA 1.688 63.799 62.100 0.018 0.000 1.095 134 T CB 0.456 69.337 68.868 0.021 0.000 0.930 134 T HN 2.122 nan 8.240 nan 0.000 0.508 135 G N 1.118 109.933 108.800 0.024 0.000 2.198 135 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.156 135 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.156 135 G C 0.819 175.742 174.900 0.039 0.000 1.012 135 G CA 0.079 45.197 45.100 0.030 0.000 0.692 135 G HN 0.396 nan 8.290 nan 0.000 0.492 136 K N 0.813 121.236 120.400 0.039 0.000 2.113 136 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 136 K C 2.502 179.136 176.600 0.056 0.000 1.047 136 K CA 1.731 58.048 56.287 0.050 0.000 0.928 136 K CB -0.220 32.309 32.500 0.048 0.000 0.716 136 K HN 0.376 nan 8.250 nan 0.000 0.446 137 S N 0.956 116.682 115.700 0.043 0.000 2.338 137 S HA -0.104 4.366 4.470 -0.000 0.000 0.218 137 S C 2.209 176.839 174.600 0.050 0.000 1.032 137 S CA 1.269 59.490 58.200 0.037 0.000 0.999 137 S CB -0.315 62.898 63.200 0.022 0.000 0.905 137 S HN 0.042 nan 8.310 nan 0.000 0.439 138 V N 2.212 122.164 119.914 0.062 0.000 2.380 138 V HA -0.193 3.927 4.120 -0.000 0.000 0.251 138 V C 2.151 178.306 176.094 0.102 0.000 1.063 138 V CA 1.705 64.061 62.300 0.093 0.000 1.055 138 V CB -0.694 31.176 31.823 0.078 0.000 0.657 138 V HN 0.397 nan 8.190 nan 0.000 0.455 139 L N -1.203 120.069 121.223 0.081 0.000 2.068 139 L HA -0.081 4.258 4.340 -0.000 0.000 0.204 139 L C 2.293 179.214 176.870 0.085 0.000 1.076 139 L CA 1.349 56.241 54.840 0.087 0.000 0.753 139 L CB -0.091 42.016 42.059 0.080 0.000 0.910 139 L HN 0.197 nan 8.230 nan 0.000 0.439 140 L N -0.003 121.265 121.223 0.076 0.000 2.131 140 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 140 L C 2.696 179.490 176.870 -0.127 0.000 1.092 140 L CA 1.533 56.405 54.840 0.054 0.000 0.759 140 L CB -0.699 41.408 42.059 0.081 0.000 0.903 140 L HN 0.204 nan 8.230 nan 0.000 0.435 141 R N -0.493 119.970 120.500 -0.063 0.000 2.075 141 R HA -0.195 4.145 4.340 -0.000 0.000 0.232 141 R C 2.270 178.508 176.300 -0.103 0.000 1.126 141 R CA 1.545 57.592 56.100 -0.087 0.000 0.963 141 R CB -0.053 30.241 30.300 -0.011 0.000 0.858 141 R HN 0.508 nan 8.270 nan 0.000 0.435 142 E N 0.464 120.705 120.200 0.069 0.000 2.047 142 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 142 E C 2.042 178.680 176.600 0.063 0.000 0.987 142 E CA 0.960 57.475 56.400 0.191 0.000 0.799 142 E CB -0.164 29.657 29.700 0.202 0.000 0.752 142 E HN 0.335 nan 8.360 nan 0.000 0.449 143 L N 0.473 121.685 121.223 -0.019 0.000 2.012 143 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 143 L C 2.644 179.343 176.870 -0.286 0.000 1.073 143 L CA 1.457 56.244 54.840 -0.090 0.000 0.748 143 L CB -0.442 41.642 42.059 0.041 0.000 0.891 143 L HN 0.336 nan 8.230 nan 0.000 0.431 144 A N -1.074 121.468 122.820 -0.463 0.000 1.902 144 A HA -0.316 4.003 4.320 -0.000 0.000 0.217 144 A C 2.113 179.281 177.584 -0.693 0.000 1.181 144 A CA 1.843 53.429 52.037 -0.751 0.000 0.623 144 A CB -0.996 17.335 19.000 -1.114 0.000 0.818 144 A HN 0.573 nan 8.150 nan 0.000 0.443 145 Y N 1.910 121.741 120.300 -0.782 0.000 2.089 145 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 145 Y C 2.916 178.695 175.900 -0.201 0.000 1.139 145 Y CA 2.589 60.389 58.100 -0.499 0.000 1.123 145 Y CB -1.067 37.346 38.460 -0.079 0.000 0.980 145 Y HN 0.437 nan 8.280 nan 0.000 0.493 146 T N -2.474 111.876 114.554 -0.341 0.000 2.881 146 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 146 T C 2.168 176.703 174.700 -0.274 0.000 1.068 146 T CA 1.177 63.066 62.100 -0.351 0.000 1.131 146 T CB -1.203 67.583 68.868 -0.137 0.000 0.871 146 T HN 0.406 nan 8.240 nan 0.000 0.479 147 G N 1.335 109.954 108.800 -0.302 0.000 2.394 147 G HA2 0.068 4.028 3.960 -0.000 0.000 0.215 147 G HA3 0.068 4.028 3.960 -0.000 0.000 0.215 147 G C 1.514 176.314 174.900 -0.166 0.000 1.165 147 G CA 0.443 45.391 45.100 -0.253 0.000 0.784 147 G HN 0.514 nan 8.290 nan 0.000 0.535 148 L N 0.070 121.159 121.223 -0.224 0.000 2.056 148 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 148 L C 2.810 179.620 176.870 -0.100 0.000 1.078 148 L CA 0.461 55.227 54.840 -0.124 0.000 0.749 148 L CB -0.381 41.609 42.059 -0.116 0.000 0.901 148 L HN 0.163 nan 8.230 nan 0.000 0.433 149 L N -0.417 120.684 121.223 -0.204 0.000 2.187 149 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 149 L C 2.628 179.444 176.870 -0.090 0.000 1.100 149 L CA 1.099 55.834 54.840 -0.175 0.000 0.765 149 L CB -0.445 41.421 42.059 -0.321 0.000 0.904 149 L HN 0.265 nan 8.230 nan 0.000 0.437 150 R N 0.016 120.471 120.500 -0.074 0.000 2.276 150 R HA 0.039 4.378 4.340 -0.000 0.000 0.196 150 R C 1.190 177.496 176.300 0.009 0.000 0.961 150 R CA 0.699 56.787 56.100 -0.021 0.000 1.024 150 R CB 0.286 30.588 30.300 0.004 0.000 0.940 150 R HN 0.341 nan 8.270 nan 0.000 0.480 151 G N 1.209 110.015 108.800 0.009 0.000 2.132 151 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.234 151 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.234 151 G C -0.692 174.245 174.900 0.061 0.000 0.989 151 G CA 0.146 45.265 45.100 0.032 0.000 0.676 151 G HN 0.386 nan 8.290 nan 0.000 0.522 152 D N 0.114 120.571 120.400 0.094 0.000 2.357 152 D HA 0.449 5.089 4.640 -0.000 0.000 0.242 152 D C 1.107 177.508 176.300 0.168 0.000 1.153 152 D CA 0.084 54.190 54.000 0.177 0.000 0.918 152 D CB 0.743 41.771 40.800 0.379 0.000 1.181 152 D HN 0.401 nan 8.370 nan 0.000 0.435 153 R N 0.276 120.885 120.500 0.182 0.000 2.596 153 R HA 0.742 5.082 4.340 -0.000 0.000 0.267 153 R C 0.150 176.617 176.300 0.278 0.000 1.026 153 R CA -0.651 55.547 56.100 0.164 0.000 1.087 153 R CB 1.256 31.579 30.300 0.039 0.000 1.132 153 R HN 0.500 nan 8.270 nan 0.000 0.531 154 M N -1.603 118.170 119.600 0.287 0.000 2.643 154 M HA 0.403 4.883 4.480 -0.000 0.000 0.276 154 M C -1.610 174.865 176.300 0.292 0.000 1.200 154 M CA -1.154 54.352 55.300 0.342 0.000 0.863 154 M CB 1.829 34.645 32.600 0.360 0.000 1.711 154 M HN 0.196 nan 8.290 nan 0.000 0.492 155 V N 2.550 122.638 119.914 0.290 0.000 2.448 155 V HA 0.621 4.741 4.120 -0.000 0.000 0.295 155 V C -0.646 175.538 176.094 0.150 0.000 1.025 155 V CA -0.431 61.957 62.300 0.148 0.000 0.859 155 V CB 1.850 33.793 31.823 0.199 0.000 0.988 155 V HN 0.729 nan 8.190 nan 0.000 0.431 156 I N 4.627 125.186 120.570 -0.017 0.000 2.410 156 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 156 I C -0.299 175.911 176.117 0.155 0.000 1.009 156 I CA -0.851 60.495 61.300 0.077 0.000 1.111 156 I CB 2.150 40.069 38.000 -0.134 0.000 1.262 156 I HN 0.268 nan 8.210 nan 0.000 0.443 157 V N 4.963 125.031 119.914 0.255 0.000 2.364 157 V HA 0.021 4.140 4.120 -0.000 0.000 0.252 157 V C -0.152 176.148 176.094 0.344 0.000 1.075 157 V CA 0.296 62.809 62.300 0.354 0.000 1.033 157 V CB 0.320 32.350 31.823 0.346 0.000 1.116 157 V HN 0.630 nan 8.190 nan 0.000 0.488 158 D N 7.377 127.962 120.400 0.309 0.000 2.460 158 D HA 0.393 5.032 4.640 -0.000 0.000 0.232 158 D C -2.722 173.432 176.300 -0.243 0.000 1.079 158 D CA -2.092 51.966 54.000 0.097 0.000 0.864 158 D CB 1.858 42.764 40.800 0.177 0.000 1.048 158 D HN 0.251 nan 8.370 nan 0.000 0.523 159 P HA 0.161 nan 4.420 nan 0.000 0.271 159 P C -0.295 176.628 177.300 -0.630 0.000 1.216 159 P CA -0.182 62.222 63.100 -1.160 0.000 0.771 159 P CB 0.456 31.674 31.700 -0.803 0.000 0.864 160 N N 2.443 120.739 118.700 -0.673 0.000 2.708 160 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 160 N C 0.882 176.255 175.510 -0.228 0.000 1.097 160 N CA 1.562 54.379 53.050 -0.389 0.000 0.710 160 N CB -1.843 36.461 38.487 -0.305 0.000 1.032 160 N HN 0.895 nan 8.380 nan 0.000 0.551 161 G N 0.218 108.906 108.800 -0.185 0.000 2.337 161 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.290 161 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.290 161 G C 0.765 175.612 174.900 -0.089 0.000 1.003 161 G CA 1.431 46.483 45.100 -0.080 0.000 0.825 161 G HN 0.660 nan 8.290 nan 0.000 0.509 162 D N -0.272 120.065 120.400 -0.105 0.000 2.088 162 D HA -0.171 4.469 4.640 -0.000 0.000 0.191 162 D C 2.580 178.826 176.300 -0.090 0.000 0.992 162 D CA 1.860 55.799 54.000 -0.102 0.000 0.831 162 D CB -0.127 40.615 40.800 -0.097 0.000 0.973 162 D HN 0.279 nan 8.370 nan 0.000 0.447 163 M N -0.250 119.354 119.600 0.008 0.000 2.106 163 M HA -0.112 4.368 4.480 -0.000 0.000 0.259 163 M C 2.378 178.783 176.300 0.175 0.000 1.068 163 M CA 0.874 56.270 55.300 0.160 0.000 1.100 163 M CB -1.178 31.586 32.600 0.274 0.000 1.351 163 M HN 0.279 nan 8.290 nan 0.000 0.404 164 L N 0.833 122.073 121.223 0.028 0.000 2.042 164 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 164 L C 2.610 179.248 176.870 -0.386 0.000 1.076 164 L CA 2.443 56.951 54.840 -0.554 0.000 0.749 164 L CB -0.927 40.814 42.059 -0.530 0.000 0.893 164 L HN 0.445 nan 8.230 nan 0.000 0.432 165 S N -1.755 113.798 115.700 -0.244 0.000 2.474 165 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 165 S C 1.739 176.185 174.600 -0.256 0.000 0.997 165 S CA 0.680 58.753 58.200 -0.213 0.000 0.949 165 S CB -0.386 62.721 63.200 -0.155 0.000 0.766 165 S HN 0.525 nan 8.310 nan 0.000 0.517 166 K N -0.183 119.983 120.400 -0.391 0.000 2.350 166 K HA 0.288 4.608 4.320 -0.000 0.000 0.196 166 K C 0.412 176.599 176.600 -0.687 0.000 1.084 166 K CA 0.479 56.375 56.287 -0.651 0.000 0.967 166 K CB -0.086 31.726 32.500 -1.147 0.000 0.950 166 K HN 0.553 nan 8.250 nan 0.000 0.512 167 F N 0.642 120.568 119.950 -0.041 0.000 2.767 167 F HA 0.297 4.824 4.527 -0.000 0.000 0.323 167 F C 1.182 177.033 175.800 0.086 0.000 1.091 167 F CA -0.906 57.128 58.000 0.057 0.000 1.192 167 F CB -0.026 39.040 39.000 0.110 0.000 1.056 167 F HN -0.180 nan 8.300 nan 0.000 0.571 168 G N 1.929 110.710 108.800 -0.032 0.000 2.334 168 G HA2 0.390 4.350 3.960 -0.000 0.000 0.261 168 G HA3 0.390 4.350 3.960 -0.000 0.000 0.261 168 G C 0.177 175.053 174.900 -0.041 0.000 1.257 168 G CA -0.277 44.683 45.100 -0.233 0.000 0.935 168 G HN 0.140 nan 8.290 nan 0.000 0.480 169 R N 1.241 121.786 120.500 0.074 0.000 2.602 169 R HA 0.259 4.598 4.340 -0.000 0.000 0.237 169 R C 0.631 176.957 176.300 0.044 0.000 1.219 169 R CA -0.884 55.261 56.100 0.075 0.000 1.121 169 R CB 0.942 31.316 30.300 0.125 0.000 1.408 169 R HN 0.491 nan 8.270 nan 0.000 0.559 170 D N 1.074 121.502 120.400 0.046 0.000 2.224 170 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 170 D C 1.091 177.426 176.300 0.058 0.000 0.965 170 D CA 1.286 55.305 54.000 0.033 0.000 0.852 170 D CB 0.249 41.066 40.800 0.028 0.000 0.947 170 D HN 0.447 nan 8.370 nan 0.000 0.494 171 K N 0.783 121.238 120.400 0.092 0.000 2.459 171 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 171 K C 0.080 176.785 176.600 0.174 0.000 1.030 171 K CA 0.109 56.470 56.287 0.124 0.000 1.026 171 K CB 0.312 32.889 32.500 0.130 0.000 0.809 171 K HN -0.133 nan 8.250 nan 0.000 0.504 172 D N 1.758 122.264 120.400 0.176 0.000 2.341 172 D HA 0.150 4.790 4.640 -0.000 0.000 0.245 172 D C 0.305 176.689 176.300 0.140 0.000 1.106 172 D CA -0.258 53.892 54.000 0.250 0.000 0.905 172 D CB 0.949 41.977 40.800 0.380 0.000 1.202 172 D HN -0.041 nan 8.370 nan 0.000 0.426 173 I N 1.622 122.251 120.570 0.099 0.000 2.612 173 I HA 0.351 4.521 4.170 -0.000 0.000 0.295 173 I C 0.581 176.623 176.117 -0.125 0.000 1.011 173 I CA -0.396 60.813 61.300 -0.150 0.000 1.326 173 I CB 0.635 38.355 38.000 -0.466 0.000 1.427 173 I HN 0.201 nan 8.210 nan 0.000 0.537 174 I N 5.447 125.863 120.570 -0.258 0.000 2.534 174 I HA 0.344 4.514 4.170 -0.000 0.000 0.288 174 I C -0.905 175.011 176.117 -0.335 0.000 1.077 174 I CA -0.462 60.726 61.300 -0.187 0.000 1.051 174 I CB 2.460 40.394 38.000 -0.110 0.000 1.234 174 I HN 0.226 nan 8.210 nan 0.000 0.425 175 L N 6.368 127.373 121.223 -0.364 0.000 2.318 175 L HA 0.540 4.880 4.340 -0.000 0.000 0.277 175 L C -0.745 176.018 176.870 -0.179 0.000 1.008 175 L CA -0.312 54.184 54.840 -0.573 0.000 0.846 175 L CB 1.245 42.517 42.059 -1.312 0.000 1.220 175 L HN 0.535 nan 8.230 nan 0.000 0.423 176 N N 5.080 123.804 118.700 0.041 0.000 2.697 176 N HA 0.199 4.939 4.740 -0.000 0.000 0.271 176 N C -2.308 173.345 175.510 0.239 0.000 1.149 176 N CA -1.093 52.127 53.050 0.283 0.000 0.939 176 N CB 2.625 41.294 38.487 0.304 0.000 1.534 176 N HN 0.093 nan 8.380 nan 0.000 0.556 177 P HA -0.078 nan 4.420 nan 0.000 0.223 177 P C 0.203 177.340 177.300 -0.272 0.000 1.144 177 P CA 1.244 64.317 63.100 -0.045 0.000 0.783 177 P CB 0.130 31.731 31.700 -0.164 0.000 0.771 178 Y N -1.074 119.361 120.300 0.225 0.000 2.555 178 Y HA 0.295 4.845 4.550 -0.000 0.000 0.259 178 Y C 0.835 176.900 175.900 0.275 0.000 1.179 178 Y CA -0.697 57.556 58.100 0.255 0.000 1.230 178 Y CB 0.105 38.757 38.460 0.320 0.000 1.146 178 Y HN -0.067 nan 8.280 nan 0.000 0.526 179 D N 0.569 121.142 120.400 0.288 0.000 2.217 179 D HA 0.049 4.689 4.640 -0.000 0.000 0.243 179 D C 0.896 177.182 176.300 -0.024 0.000 1.054 179 D CA -0.131 53.925 54.000 0.094 0.000 0.838 179 D CB 1.903 42.819 40.800 0.194 0.000 1.162 179 D HN 0.110 nan 8.370 nan 0.000 0.472 180 Q N 3.290 123.022 119.800 -0.114 0.000 2.197 180 Q HA -0.173 4.167 4.340 -0.000 0.000 0.207 180 Q C 1.357 177.317 176.000 -0.067 0.000 0.984 180 Q CA 1.711 57.461 55.803 -0.088 0.000 0.869 180 Q CB 0.176 28.844 28.738 -0.117 0.000 0.906 180 Q HN 0.444 nan 8.270 nan 0.000 0.426 181 R N -0.537 119.919 120.500 -0.072 0.000 2.297 181 R HA 0.098 4.438 4.340 -0.000 0.000 0.197 181 R C 0.750 177.002 176.300 -0.079 0.000 0.943 181 R CA 0.521 56.579 56.100 -0.070 0.000 1.038 181 R CB -0.134 30.120 30.300 -0.078 0.000 0.957 181 R HN 0.103 nan 8.270 nan 0.000 0.484 182 T N 1.051 115.566 114.554 -0.066 0.000 2.855 182 T HA 0.002 4.352 4.350 -0.000 0.000 0.322 182 T C 0.240 174.864 174.700 -0.127 0.000 1.088 182 T CA 0.034 62.073 62.100 -0.102 0.000 1.104 182 T CB 0.502 69.346 68.868 -0.041 0.000 0.996 182 T HN -0.095 nan 8.240 nan 0.000 0.549 183 K N 1.766 122.028 120.400 -0.229 0.000 2.090 183 K HA 0.482 4.802 4.320 -0.000 0.000 0.249 183 K C 0.460 177.041 176.600 -0.032 0.000 0.995 183 K CA -0.540 55.622 56.287 -0.208 0.000 0.914 183 K CB 1.091 33.240 32.500 -0.585 0.000 1.057 183 K HN 0.777 nan 8.250 nan 0.000 0.462 184 G N 0.366 109.221 108.800 0.091 0.000 2.372 184 G HA2 0.357 4.317 3.960 -0.000 0.000 0.283 184 G HA3 0.357 4.317 3.960 -0.000 0.000 0.283 184 G C -1.431 173.681 174.900 0.354 0.000 1.177 184 G CA -0.338 44.869 45.100 0.179 0.000 0.842 184 G HN 0.573 nan 8.290 nan 0.000 0.503 185 W N 1.560 122.966 121.300 0.176 0.000 3.213 185 W HA 0.619 5.279 4.660 -0.000 0.000 0.318 185 W C -0.744 175.956 176.519 0.302 0.000 1.248 185 W CA -0.808 56.697 57.345 0.267 0.000 1.187 185 W CB 2.198 31.853 29.460 0.325 0.000 1.403 185 W HN 0.754 nan 8.180 nan 0.000 0.556 186 S N 3.871 119.007 115.700 -0.941 0.000 2.533 186 S HA 0.299 4.769 4.470 -0.000 0.000 0.271 186 S C 0.233 173.903 174.600 -1.550 0.000 1.143 186 S CA -0.405 57.245 58.200 -0.917 0.000 0.891 186 S CB 0.310 63.373 63.200 -0.230 0.000 1.105 186 S HN 0.871 nan 8.310 nan 0.000 0.468 187 F N 2.984 122.179 119.950 -1.259 0.000 2.333 187 F HA 0.158 4.685 4.527 -0.000 0.000 0.300 187 F C 1.199 176.713 175.800 -0.477 0.000 1.083 187 F CA 0.747 58.346 58.000 -0.667 0.000 1.395 187 F CB -0.824 38.046 39.000 -0.217 0.000 1.056 187 F HN 0.546 nan 8.300 nan 0.000 0.529 188 F N 1.664 120.974 119.950 -1.066 0.000 2.192 188 F HA -0.228 4.299 4.527 -0.000 0.000 0.301 188 F C 1.858 177.326 175.800 -0.554 0.000 1.079 188 F CA 1.509 59.006 58.000 -0.838 0.000 1.303 188 F CB -0.762 37.895 39.000 -0.572 0.000 1.024 188 F HN 0.027 nan 8.300 nan 0.000 0.494 189 N N 0.003 118.517 118.700 -0.310 0.000 2.519 189 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 189 N C 1.220 176.603 175.510 -0.211 0.000 1.062 189 N CA 0.865 53.783 53.050 -0.220 0.000 0.910 189 N CB -0.302 38.074 38.487 -0.185 0.000 0.958 189 N HN 0.337 nan 8.380 nan 0.000 0.445 190 E N -0.255 119.749 120.200 -0.326 0.000 2.489 190 E HA 0.124 4.474 4.350 -0.000 0.000 0.204 190 E C 0.172 176.468 176.600 -0.507 0.000 1.006 190 E CA -0.138 56.000 56.400 -0.436 0.000 0.936 190 E CB 0.636 29.872 29.700 -0.772 0.000 1.002 190 E HN 0.196 nan 8.360 nan 0.000 0.488 191 I N 1.702 121.964 120.570 -0.513 0.000 2.471 191 I HA 0.095 4.265 4.170 -0.000 0.000 0.286 191 I C 1.380 177.275 176.117 -0.370 0.000 1.079 191 I CA 0.502 61.462 61.300 -0.567 0.000 1.398 191 I CB 0.539 37.960 38.000 -0.965 0.000 1.403 191 I HN -0.031 nan 8.210 nan 0.000 0.530 192 R N 3.407 123.721 120.500 -0.310 0.000 2.561 192 R HA 0.245 4.585 4.340 -0.000 0.000 0.213 192 R C 0.123 176.322 176.300 -0.168 0.000 0.885 192 R CA -0.098 55.888 56.100 -0.190 0.000 1.002 192 R CB 0.661 30.887 30.300 -0.123 0.000 1.432 192 R HN 0.612 nan 8.270 nan 0.000 0.651 193 N N -0.040 118.498 118.700 -0.270 0.000 2.701 193 N HA 0.050 4.790 4.740 -0.000 0.000 0.290 193 N C -0.310 175.086 175.510 -0.191 0.000 1.338 193 N CA -0.372 52.563 53.050 -0.193 0.000 0.799 193 N CB 1.486 39.830 38.487 -0.238 0.000 1.491 193 N HN -0.153 nan 8.380 nan 0.000 0.540 194 D N -0.410 120.006 120.400 0.027 0.000 2.162 194 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 194 D C 1.664 178.087 176.300 0.206 0.000 0.967 194 D CA 1.147 55.273 54.000 0.210 0.000 0.840 194 D CB -0.006 40.944 40.800 0.251 0.000 0.972 194 D HN 0.631 nan 8.370 nan 0.000 0.482 195 Y N -0.731 119.650 120.300 0.136 0.000 2.639 195 Y HA 0.072 4.622 4.550 -0.000 0.000 0.297 195 Y C 1.165 177.126 175.900 0.102 0.000 1.151 195 Y CA 0.551 58.719 58.100 0.114 0.000 1.335 195 Y CB -0.469 38.029 38.460 0.065 0.000 0.994 195 Y HN -0.130 nan 8.280 nan 0.000 0.548 196 D N -0.012 120.144 120.400 -0.406 0.000 2.317 196 D HA -0.107 4.533 4.640 -0.000 0.000 0.211 196 D C 1.236 177.551 176.300 0.025 0.000 0.966 196 D CA 0.852 54.693 54.000 -0.265 0.000 0.876 196 D CB -0.388 40.196 40.800 -0.359 0.000 0.927 196 D HN 0.561 nan 8.370 nan 0.000 0.519 197 W N 1.158 122.526 121.300 0.113 0.000 2.378 197 W HA -0.158 4.502 4.660 -0.000 0.000 0.313 197 W C 2.656 179.265 176.519 0.149 0.000 1.197 197 W CA 0.453 57.895 57.345 0.163 0.000 1.304 197 W CB -0.366 29.164 29.460 0.117 0.000 1.148 197 W HN -0.059 nan 8.180 nan 0.000 0.494 198 Q N 1.193 121.190 119.800 0.328 0.000 2.167 198 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 198 Q C 2.159 178.224 176.000 0.108 0.000 0.970 198 Q CA 1.746 57.666 55.803 0.195 0.000 0.855 198 Q CB -0.473 28.357 28.738 0.154 0.000 0.911 198 Q HN 0.223 nan 8.270 nan 0.000 0.438 199 R N -1.169 119.367 120.500 0.060 0.000 2.096 199 R HA -0.203 4.137 4.340 -0.000 0.000 0.240 199 R C 1.292 177.423 176.300 -0.282 0.000 1.139 199 R CA 1.955 57.971 56.100 -0.140 0.000 0.952 199 R CB -0.305 29.841 30.300 -0.258 0.000 0.854 199 R HN 0.448 nan 8.270 nan 0.000 0.436 200 Y N -1.081 119.283 120.300 0.106 0.000 2.500 200 Y HA 0.258 4.808 4.550 -0.000 0.000 0.270 200 Y C 2.049 177.958 175.900 0.015 0.000 1.134 200 Y CA 0.285 58.451 58.100 0.109 0.000 1.293 200 Y CB 0.352 38.925 38.460 0.188 0.000 1.063 200 Y HN 0.203 nan 8.280 nan 0.000 0.534 201 A N -0.300 122.586 122.820 0.111 0.000 2.066 201 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 201 A C 1.909 179.484 177.584 -0.014 0.000 1.157 201 A CA 0.990 53.017 52.037 -0.016 0.000 0.670 201 A CB -0.494 18.539 19.000 0.055 0.000 0.804 201 A HN 0.328 nan 8.150 nan 0.000 0.453 202 L N -0.118 121.114 121.223 0.014 0.000 2.156 202 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 202 L C 2.500 179.377 176.870 0.013 0.000 1.095 202 L CA 1.959 56.802 54.840 0.004 0.000 0.770 202 L CB -0.981 41.073 42.059 -0.009 0.000 0.914 202 L HN 0.340 nan 8.230 nan 0.000 0.439 203 S N -1.431 114.296 115.700 0.044 0.000 2.377 203 S HA -0.059 4.410 4.470 -0.000 0.000 0.223 203 S C 2.034 176.674 174.600 0.066 0.000 1.030 203 S CA 0.902 59.160 58.200 0.096 0.000 0.970 203 S CB -0.038 63.305 63.200 0.238 0.000 0.830 203 S HN 0.218 nan 8.310 nan 0.000 0.473 204 V N 1.474 121.382 119.914 -0.008 0.000 2.307 204 V HA 0.000 4.120 4.120 -0.000 0.000 0.245 204 V C 0.837 176.893 176.094 -0.063 0.000 1.045 204 V CA 0.997 63.227 62.300 -0.117 0.000 1.024 204 V CB -0.386 31.157 31.823 -0.466 0.000 0.651 204 V HN 0.280 nan 8.190 nan 0.000 0.449 205 V N 3.583 123.463 119.914 -0.058 0.000 2.240 205 V HA 0.288 4.407 4.120 -0.000 0.000 0.265 205 V C -2.005 174.085 176.094 -0.008 0.000 1.073 205 V CA -1.724 60.565 62.300 -0.019 0.000 0.857 205 V CB 0.510 32.328 31.823 -0.010 0.000 1.114 205 V HN 0.346 nan 8.190 nan 0.000 0.469 206 P HA 0.120 nan 4.420 nan 0.000 0.271 206 P C -0.190 177.086 177.300 -0.040 0.000 1.244 206 P CA -0.485 62.599 63.100 -0.025 0.000 0.793 206 P CB 0.800 32.476 31.700 -0.040 0.000 0.984 207 R N 0.109 120.570 120.500 -0.064 0.000 2.570 207 R HA 0.199 4.539 4.340 -0.000 0.000 0.277 207 R C 1.045 177.287 176.300 -0.098 0.000 1.039 207 R CA 0.291 56.343 56.100 -0.079 0.000 1.065 207 R CB -0.765 29.479 30.300 -0.094 0.000 0.964 207 R HN 0.623 nan 8.270 nan 0.000 0.428 208 G N 1.428 110.172 108.800 -0.094 0.000 2.491 208 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.242 208 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.242 208 G C 0.882 175.704 174.900 -0.129 0.000 1.266 208 G CA -0.396 44.641 45.100 -0.104 0.000 0.844 208 G HN 0.649 nan 8.290 nan 0.000 0.571 209 K N 0.008 120.338 120.400 -0.117 0.000 2.103 209 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 209 K C 1.432 177.963 176.600 -0.114 0.000 1.048 209 K CA 1.613 57.832 56.287 -0.114 0.000 0.930 209 K CB -0.111 32.340 32.500 -0.082 0.000 0.716 209 K HN 0.653 nan 8.250 nan 0.000 0.444 210 T N -2.702 111.764 114.554 -0.146 0.000 2.940 210 T HA 0.180 4.530 4.350 -0.000 0.000 0.288 210 T C 0.520 175.095 174.700 -0.207 0.000 1.045 210 T CA -0.962 61.042 62.100 -0.159 0.000 1.018 210 T CB 1.512 70.277 68.868 -0.172 0.000 1.151 210 T HN -0.087 nan 8.240 nan 0.000 0.529 211 D N 0.164 120.453 120.400 -0.184 0.000 2.117 211 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 211 D C 1.707 177.827 176.300 -0.300 0.000 0.987 211 D CA 1.460 55.343 54.000 -0.194 0.000 0.829 211 D CB 0.012 40.728 40.800 -0.139 0.000 0.961 211 D HN 0.856 nan 8.370 nan 0.000 0.460 212 E N 0.570 120.544 120.200 -0.377 0.000 2.051 212 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 212 E C 2.010 177.931 176.600 -1.132 0.000 0.991 212 E CA 0.997 57.029 56.400 -0.614 0.000 0.799 212 E CB 0.012 29.396 29.700 -0.527 0.000 0.748 212 E HN 0.137 nan 8.360 nan 0.000 0.449 213 A N 0.879 123.097 122.820 -1.004 0.000 2.019 213 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 213 A C 1.986 179.326 177.584 -0.407 0.000 1.164 213 A CA 1.792 53.309 52.037 -0.865 0.000 0.644 213 A CB -0.478 18.298 19.000 -0.375 0.000 0.805 213 A HN 0.320 nan 8.150 nan 0.000 0.449 214 E N 0.326 120.317 120.200 -0.347 0.000 2.158 214 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 214 E C 1.857 178.314 176.600 -0.239 0.000 0.982 214 E CA 1.367 57.640 56.400 -0.212 0.000 0.823 214 E CB -0.307 29.288 29.700 -0.175 0.000 0.766 214 E HN 0.689 nan 8.360 nan 0.000 0.468 215 E N -0.557 119.427 120.200 -0.360 0.000 2.051 215 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 215 E C 1.464 177.825 176.600 -0.399 0.000 0.991 215 E CA 1.445 57.602 56.400 -0.404 0.000 0.799 215 E CB -0.224 29.259 29.700 -0.362 0.000 0.748 215 E HN 0.374 nan 8.360 nan 0.000 0.449 216 W N 0.442 121.641 121.300 -0.169 0.000 2.355 216 W HA -0.058 4.602 4.660 -0.000 0.000 0.309 216 W C 2.510 179.028 176.519 -0.001 0.000 1.206 216 W CA 0.849 58.198 57.345 0.006 0.000 1.284 216 W CB -1.429 28.087 29.460 0.094 0.000 1.145 216 W HN 0.206 nan 8.180 nan 0.000 0.502 217 A N 0.985 123.914 122.820 0.181 0.000 1.948 217 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 217 A C 2.259 179.881 177.584 0.063 0.000 1.177 217 A CA 3.226 55.328 52.037 0.108 0.000 0.636 217 A CB -1.210 17.809 19.000 0.032 0.000 0.815 217 A HN 0.318 nan 8.150 nan 0.000 0.449 218 S N -1.510 114.168 115.700 -0.037 0.000 2.402 218 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 218 S C 1.889 176.561 174.600 0.119 0.000 1.021 218 S CA 1.217 59.397 58.200 -0.035 0.000 0.974 218 S CB -0.856 62.251 63.200 -0.156 0.000 0.800 218 S HN 0.682 nan 8.310 nan 0.000 0.484 219 Y N 1.740 122.157 120.300 0.195 0.000 2.263 219 Y HA 0.087 4.637 4.550 -0.000 0.000 0.292 219 Y C 3.005 179.061 175.900 0.258 0.000 1.130 219 Y CA 0.189 58.465 58.100 0.292 0.000 1.179 219 Y CB -0.644 38.022 38.460 0.342 0.000 0.998 219 Y HN 0.476 nan 8.280 nan 0.000 0.532 220 G N 0.402 109.397 108.800 0.323 0.000 2.408 220 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.217 220 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.217 220 G C 1.623 176.605 174.900 0.137 0.000 1.150 220 G CA 0.462 45.671 45.100 0.182 0.000 0.776 220 G HN 0.305 nan 8.290 nan 0.000 0.542 221 R N -0.568 120.013 120.500 0.135 0.000 2.115 221 R HA 0.110 4.450 4.340 -0.000 0.000 0.226 221 R C 2.381 178.762 176.300 0.134 0.000 1.100 221 R CA 0.705 56.863 56.100 0.097 0.000 0.980 221 R CB -0.435 29.908 30.300 0.073 0.000 0.875 221 R HN 0.378 nan 8.270 nan 0.000 0.445 222 L N 1.175 122.518 121.223 0.200 0.000 2.017 222 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 222 L C 2.056 179.072 176.870 0.242 0.000 1.073 222 L CA 1.513 56.478 54.840 0.207 0.000 0.745 222 L CB -0.533 41.669 42.059 0.238 0.000 0.894 222 L HN 0.096 nan 8.230 nan 0.000 0.432 223 L N -0.973 120.435 121.223 0.308 0.000 2.056 223 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 223 L C 2.315 179.243 176.870 0.096 0.000 1.078 223 L CA 1.863 56.811 54.840 0.179 0.000 0.749 223 L CB -0.846 41.197 42.059 -0.026 0.000 0.901 223 L HN 0.416 nan 8.230 nan 0.000 0.433 224 L N 0.365 121.637 121.223 0.082 0.000 1.994 224 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 224 L C 2.857 179.784 176.870 0.095 0.000 1.071 224 L CA 2.419 57.297 54.840 0.063 0.000 0.745 224 L CB -0.864 41.195 42.059 -0.001 0.000 0.892 224 L HN 0.526 nan 8.230 nan 0.000 0.431 225 R N -1.181 119.378 120.500 0.099 0.000 2.096 225 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 225 R C 1.832 178.074 176.300 -0.098 0.000 1.127 225 R CA 1.503 57.656 56.100 0.089 0.000 0.968 225 R CB -0.769 29.620 30.300 0.148 0.000 0.861 225 R HN 0.343 nan 8.270 nan 0.000 0.440 226 E N 0.489 120.663 120.200 -0.042 0.000 2.152 226 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 226 E C 1.885 178.432 176.600 -0.088 0.000 0.983 226 E CA 1.526 57.866 56.400 -0.100 0.000 0.818 226 E CB -0.112 29.569 29.700 -0.032 0.000 0.758 226 E HN 0.427 nan 8.360 nan 0.000 0.467 227 T N 0.901 115.470 114.554 0.025 0.000 2.809 227 T HA -0.010 4.340 4.350 -0.000 0.000 0.260 227 T C 1.910 176.715 174.700 0.175 0.000 1.039 227 T CA 1.302 63.500 62.100 0.164 0.000 1.141 227 T CB -0.138 68.838 68.868 0.179 0.000 0.869 227 T HN 0.227 nan 8.240 nan 0.000 0.437 228 A N 1.275 124.167 122.820 0.120 0.000 2.067 228 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 228 A C 2.191 179.688 177.584 -0.145 0.000 1.158 228 A CA 1.420 53.574 52.037 0.194 0.000 0.661 228 A CB -0.419 18.740 19.000 0.265 0.000 0.801 228 A HN 0.408 nan 8.150 nan 0.000 0.452 229 K N -0.130 119.903 120.400 -0.612 0.000 2.076 229 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 229 K C 2.137 178.533 176.600 -0.340 0.000 1.051 229 K CA 1.460 57.132 56.287 -1.024 0.000 0.949 229 K CB -0.147 31.709 32.500 -1.073 0.000 0.726 229 K HN 0.435 nan 8.250 nan 0.000 0.443 230 K N 0.882 121.168 120.400 -0.189 0.000 2.025 230 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 230 K C 2.133 178.764 176.600 0.051 0.000 1.049 230 K CA 1.046 57.265 56.287 -0.114 0.000 0.933 230 K CB -0.085 32.258 32.500 -0.261 0.000 0.714 230 K HN 0.099 nan 8.250 nan 0.000 0.438 231 L N 0.539 121.891 121.223 0.215 0.000 2.129 231 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 231 L C 2.555 179.494 176.870 0.115 0.000 1.087 231 L CA 1.291 56.280 54.840 0.250 0.000 0.757 231 L CB -0.528 41.717 42.059 0.310 0.000 0.896 231 L HN 0.354 nan 8.230 nan 0.000 0.434 232 A N -0.348 122.557 122.820 0.141 0.000 1.897 232 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 232 A C 2.263 179.899 177.584 0.087 0.000 1.181 232 A CA 0.968 53.086 52.037 0.135 0.000 0.620 232 A CB -0.494 18.762 19.000 0.428 0.000 0.821 232 A HN 0.317 nan 8.150 nan 0.000 0.443 233 L N 0.169 121.430 121.223 0.063 0.000 2.012 233 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 233 L C 2.303 179.186 176.870 0.022 0.000 1.073 233 L CA 1.883 56.743 54.840 0.033 0.000 0.748 233 L CB -0.404 41.646 42.059 -0.014 0.000 0.891 233 L HN 0.683 nan 8.230 nan 0.000 0.431 234 I N -2.932 117.654 120.570 0.026 0.000 3.605 234 I HA 0.174 4.344 4.170 -0.000 0.000 0.301 234 I C 1.246 177.382 176.117 0.032 0.000 1.267 234 I CA 0.698 62.018 61.300 0.033 0.000 1.236 234 I CB -0.732 37.304 38.000 0.061 0.000 1.010 234 I HN 0.357 nan 8.210 nan 0.000 0.491 235 G N 2.098 110.907 108.800 0.016 0.000 2.184 235 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 235 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 235 G C 0.481 175.363 174.900 -0.029 0.000 0.975 235 G CA 0.506 45.602 45.100 -0.007 0.000 0.642 235 G HN 0.737 nan 8.290 nan 0.000 0.536 236 T N -0.980 113.562 114.554 -0.019 0.000 3.390 236 T HA 0.608 4.958 4.350 -0.000 0.000 0.315 236 T C -1.893 172.719 174.700 -0.147 0.000 1.799 236 T CA -1.155 60.917 62.100 -0.047 0.000 1.553 236 T CB 1.750 70.635 68.868 0.029 0.000 1.002 236 T HN 0.193 nan 8.240 nan 0.000 0.715 237 P HA 0.153 nan 4.420 nan 0.000 0.235 237 P C -0.106 176.727 177.300 -0.779 0.000 1.720 237 P CA 0.087 62.617 63.100 -0.949 0.000 1.003 237 P CB -0.274 30.770 31.700 -1.094 0.000 1.968 238 S N 1.764 117.295 115.700 -0.282 0.000 2.457 238 S HA 0.330 4.800 4.470 -0.000 0.000 0.289 238 S C 1.342 176.042 174.600 0.167 0.000 1.163 238 S CA -0.664 57.505 58.200 -0.052 0.000 1.078 238 S CB 0.435 63.633 63.200 -0.004 0.000 0.987 238 S HN -0.042 nan 8.310 nan 0.000 0.482 239 M N 4.061 123.790 119.600 0.216 0.000 2.319 239 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 239 M C 1.997 178.453 176.300 0.260 0.000 1.068 239 M CA 1.132 56.627 55.300 0.325 0.000 1.118 239 M CB -1.132 31.637 32.600 0.281 0.000 1.395 239 M HN 0.771 nan 8.290 nan 0.000 0.435 240 R N 0.068 120.664 120.500 0.160 0.000 2.090 240 R HA -0.104 4.236 4.340 -0.000 0.000 0.228 240 R C 2.008 178.407 176.300 0.164 0.000 1.110 240 R CA 1.044 57.224 56.100 0.133 0.000 0.973 240 R CB 0.187 30.514 30.300 0.045 0.000 0.869 240 R HN 0.202 nan 8.270 nan 0.000 0.440 241 E N 0.562 120.836 120.200 0.124 0.000 2.072 241 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 241 E C 1.911 178.626 176.600 0.193 0.000 0.982 241 E CA 0.727 57.178 56.400 0.084 0.000 0.803 241 E CB -0.178 29.579 29.700 0.094 0.000 0.755 241 E HN 0.207 nan 8.360 nan 0.000 0.453 242 L N 0.355 121.755 121.223 0.295 0.000 2.046 242 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 242 L C 2.170 179.200 176.870 0.266 0.000 1.077 242 L CA 1.545 56.585 54.840 0.333 0.000 0.747 242 L CB -0.747 41.565 42.059 0.421 0.000 0.896 242 L HN 0.052 nan 8.230 nan 0.000 0.432 243 F N -0.689 119.340 119.950 0.132 0.000 2.206 243 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 243 F C 2.585 178.400 175.800 0.024 0.000 1.090 243 F CA 1.753 59.801 58.000 0.080 0.000 1.323 243 F CB -0.287 38.765 39.000 0.087 0.000 1.028 243 F HN 0.431 nan 8.300 nan 0.000 0.492 244 H N -1.122 117.961 119.070 0.021 0.000 2.293 244 H HA -0.225 4.331 4.556 -0.000 0.000 0.300 244 H C 2.114 177.262 175.328 -0.301 0.000 1.082 244 H CA 2.542 58.464 56.048 -0.209 0.000 1.308 244 H CB -1.002 28.530 29.762 -0.383 0.000 1.375 244 H HN 0.416 nan 8.280 nan 0.000 0.495 245 W N 0.535 121.610 121.300 -0.375 0.000 2.333 245 W HA -0.214 4.446 4.660 -0.000 0.000 0.316 245 W C 2.946 179.226 176.519 -0.398 0.000 1.215 245 W CA 1.828 58.889 57.345 -0.475 0.000 1.278 245 W CB -0.506 28.683 29.460 -0.451 0.000 1.154 245 W HN 0.423 nan 8.180 nan 0.000 0.486 246 T N -3.797 110.720 114.554 -0.061 0.000 2.915 246 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 246 T C 1.412 175.930 174.700 -0.304 0.000 1.071 246 T CA 1.726 63.727 62.100 -0.165 0.000 1.132 246 T CB -0.588 68.210 68.868 -0.116 0.000 0.878 246 T HN 0.201 nan 8.240 nan 0.000 0.479 247 T N -2.344 111.941 114.554 -0.448 0.000 3.041 247 T HA 0.425 4.775 4.350 -0.000 0.000 0.276 247 T C 1.338 175.802 174.700 -0.392 0.000 0.948 247 T CA -0.464 61.352 62.100 -0.474 0.000 0.885 247 T CB 0.174 68.638 68.868 -0.672 0.000 1.175 247 T HN 0.258 nan 8.240 nan 0.000 0.529 248 I N 1.524 121.851 120.570 -0.406 0.000 3.443 248 I HA 0.484 4.654 4.170 -0.000 0.000 0.277 248 I C 1.690 177.610 176.117 -0.329 0.000 1.169 248 I CA -0.003 61.120 61.300 -0.294 0.000 1.419 248 I CB -1.204 36.704 38.000 -0.153 0.000 1.331 248 I HN 0.329 nan 8.210 nan 0.000 0.458 249 A N 2.218 124.662 122.820 -0.627 0.000 2.507 249 A HA 0.249 4.569 4.320 -0.000 0.000 0.235 249 A C 0.945 178.457 177.584 -0.121 0.000 1.070 249 A CA 0.409 52.193 52.037 -0.421 0.000 0.768 249 A CB -0.382 18.361 19.000 -0.428 0.000 1.011 249 A HN 0.527 nan 8.150 nan 0.000 0.502 250 T N -0.854 113.695 114.554 -0.009 0.000 2.802 250 T HA 0.225 4.575 4.350 -0.000 0.000 0.305 250 T C 0.854 175.622 174.700 0.114 0.000 1.053 250 T CA 0.277 62.412 62.100 0.059 0.000 1.058 250 T CB 0.083 68.995 68.868 0.073 0.000 0.988 250 T HN 0.416 nan 8.240 nan 0.000 0.539 251 F N 1.373 121.289 119.950 -0.057 0.000 2.091 251 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 251 F C 2.039 177.827 175.800 -0.021 0.000 1.103 251 F CA 2.116 60.078 58.000 -0.063 0.000 1.228 251 F CB -0.615 38.341 39.000 -0.073 0.000 0.984 251 F HN 0.638 nan 8.300 nan 0.000 0.477 252 D N -0.125 120.378 120.400 0.173 0.000 2.097 252 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 252 D C 1.979 178.324 176.300 0.075 0.000 0.989 252 D CA 1.597 55.657 54.000 0.099 0.000 0.827 252 D CB -0.656 40.203 40.800 0.098 0.000 0.966 252 D HN 0.266 nan 8.370 nan 0.000 0.456 253 D N 0.473 120.950 120.400 0.129 0.000 2.104 253 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 253 D C 2.285 178.700 176.300 0.191 0.000 0.994 253 D CA 0.350 54.487 54.000 0.229 0.000 0.830 253 D CB -0.379 40.634 40.800 0.356 0.000 0.959 253 D HN 0.183 nan 8.370 nan 0.000 0.452 254 L N 0.814 122.118 121.223 0.135 0.000 1.989 254 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 254 L C 2.663 179.466 176.870 -0.112 0.000 1.071 254 L CA 1.303 56.139 54.840 -0.005 0.000 0.749 254 L CB -0.055 41.929 42.059 -0.125 0.000 0.890 254 L HN -0.050 nan 8.230 nan 0.000 0.431 255 R N -0.172 120.246 120.500 -0.137 0.000 2.113 255 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 255 R C 2.084 178.331 176.300 -0.088 0.000 1.142 255 R CA 1.645 57.672 56.100 -0.121 0.000 0.953 255 R CB -1.267 28.983 30.300 -0.082 0.000 0.860 255 R HN 0.574 nan 8.270 nan 0.000 0.438 256 G N 0.102 108.869 108.800 -0.054 0.000 2.421 256 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 256 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 256 G C 1.368 176.185 174.900 -0.139 0.000 1.171 256 G CA 0.466 45.531 45.100 -0.058 0.000 0.775 256 G HN 0.308 nan 8.290 nan 0.000 0.543 257 F N 1.263 120.983 119.950 -0.382 0.000 2.161 257 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 257 F C 2.341 177.895 175.800 -0.410 0.000 1.089 257 F CA 1.132 58.775 58.000 -0.596 0.000 1.282 257 F CB -0.104 38.095 39.000 -1.334 0.000 1.010 257 F HN 0.035 nan 8.300 nan 0.000 0.485 258 L N -0.099 120.936 121.223 -0.313 0.000 2.376 258 L HA -0.075 4.264 4.340 -0.000 0.000 0.219 258 L C 0.719 177.441 176.870 -0.248 0.000 1.133 258 L CA 0.318 54.999 54.840 -0.266 0.000 0.816 258 L CB -0.745 41.254 42.059 -0.101 0.000 0.933 258 L HN 0.041 nan 8.230 nan 0.000 0.449 259 E N 0.163 120.226 120.200 -0.229 0.000 2.452 259 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 259 E C 1.104 177.578 176.600 -0.210 0.000 0.987 259 E CA 0.649 56.944 56.400 -0.175 0.000 0.926 259 E CB 0.372 29.988 29.700 -0.140 0.000 0.934 259 E HN 0.324 nan 8.360 nan 0.000 0.452 260 G N 2.730 111.435 108.800 -0.159 0.000 2.234 260 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.235 260 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.235 260 G C 0.458 175.263 174.900 -0.159 0.000 0.997 260 G CA 0.334 45.340 45.100 -0.156 0.000 0.623 260 G HN 0.688 nan 8.290 nan 0.000 0.514 261 T N -1.009 113.438 114.554 -0.178 0.000 2.943 261 T HA 0.704 5.054 4.350 -0.000 0.000 0.284 261 T C 1.656 176.287 174.700 -0.116 0.000 1.015 261 T CA -0.205 61.800 62.100 -0.159 0.000 1.042 261 T CB 1.760 70.514 68.868 -0.189 0.000 1.055 261 T HN 0.271 nan 8.240 nan 0.000 0.500 262 L N 0.840 122.004 121.223 -0.099 0.000 2.189 262 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 262 L C 2.833 179.642 176.870 -0.102 0.000 1.097 262 L CA 1.538 56.326 54.840 -0.086 0.000 0.764 262 L CB -0.764 41.254 42.059 -0.069 0.000 0.900 262 L HN 0.930 nan 8.230 nan 0.000 0.436 263 A N -0.785 121.982 122.820 -0.089 0.000 2.238 263 A HA -0.106 4.214 4.320 -0.000 0.000 0.208 263 A C 2.136 179.694 177.584 -0.043 0.000 1.177 263 A CA 0.554 52.542 52.037 -0.082 0.000 0.804 263 A CB -0.326 18.727 19.000 0.088 0.000 0.823 263 A HN 0.466 nan 8.150 nan 0.000 0.482 264 E N 0.214 120.371 120.200 -0.071 0.000 2.033 264 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 264 E C 1.884 178.453 176.600 -0.051 0.000 1.011 264 E CA 1.865 58.225 56.400 -0.065 0.000 0.815 264 E CB -0.101 29.548 29.700 -0.085 0.000 0.755 264 E HN 0.518 nan 8.360 nan 0.000 0.451 265 S N 0.207 115.864 115.700 -0.073 0.000 2.406 265 S HA 0.041 4.511 4.470 -0.000 0.000 0.224 265 S C 1.976 176.515 174.600 -0.101 0.000 1.030 265 S CA 0.301 58.460 58.200 -0.068 0.000 0.958 265 S CB -0.129 63.031 63.200 -0.065 0.000 0.811 265 S HN 0.249 nan 8.310 nan 0.000 0.489 266 L N 0.173 121.283 121.223 -0.187 0.000 2.064 266 L HA -0.168 4.172 4.340 -0.000 0.000 0.216 266 L C 1.214 177.864 176.870 -0.367 0.000 1.077 266 L CA 1.582 56.223 54.840 -0.331 0.000 0.766 266 L CB -0.572 41.171 42.059 -0.527 0.000 0.890 266 L HN 0.325 nan 8.230 nan 0.000 0.435 267 F N -0.318 119.572 119.950 -0.100 0.000 2.701 267 F HA 0.383 4.910 4.527 -0.000 0.000 0.295 267 F C 0.725 176.472 175.800 -0.088 0.000 1.165 267 F CA -0.474 57.451 58.000 -0.125 0.000 1.399 267 F CB 0.097 38.993 39.000 -0.174 0.000 0.996 267 F HN -0.012 nan 8.300 nan 0.000 0.513 268 A N -0.917 121.940 122.820 0.062 0.000 2.587 268 A HA 0.716 5.036 4.320 -0.000 0.000 0.293 268 A C 0.634 178.232 177.584 0.023 0.000 1.087 268 A CA -0.039 52.028 52.037 0.051 0.000 0.692 268 A CB 1.157 20.176 19.000 0.032 0.000 1.291 268 A HN 0.420 nan 8.150 nan 0.000 0.407 269 G N -0.663 108.154 108.800 0.029 0.000 2.211 269 G HA2 0.259 4.219 3.960 -0.000 0.000 0.201 269 G HA3 0.259 4.219 3.960 -0.000 0.000 0.201 269 G C 0.283 175.195 174.900 0.020 0.000 0.997 269 G CA 0.671 45.781 45.100 0.016 0.000 0.652 269 G HN 2.618 nan 8.290 nan 0.000 0.500 270 S N -1.644 114.075 115.700 0.031 0.000 2.643 270 S HA 0.526 4.996 4.470 -0.000 0.000 0.266 270 S C 0.415 175.039 174.600 0.039 0.000 1.130 270 S CA 0.082 58.300 58.200 0.029 0.000 0.817 270 S CB 0.583 63.797 63.200 0.023 0.000 1.107 270 S HN 0.001 nan 8.310 nan 0.000 0.471 271 N N 0.907 119.626 118.700 0.033 0.000 2.188 271 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 271 N C 1.481 177.019 175.510 0.046 0.000 1.018 271 N CA 1.618 54.688 53.050 0.033 0.000 0.858 271 N CB -0.528 37.973 38.487 0.023 0.000 0.989 271 N HN 0.773 nan 8.380 nan 0.000 0.426 272 E N 1.425 121.652 120.200 0.045 0.000 2.077 272 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 272 E C 1.786 178.408 176.600 0.036 0.000 0.989 272 E CA 1.367 57.797 56.400 0.051 0.000 0.800 272 E CB -0.346 29.384 29.700 0.051 0.000 0.746 272 E HN 0.299 nan 8.360 nan 0.000 0.452 273 A N -0.218 122.624 122.820 0.036 0.000 1.902 273 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 273 A C 2.424 180.084 177.584 0.126 0.000 1.181 273 A CA 1.932 53.996 52.037 0.046 0.000 0.623 273 A CB -0.663 18.362 19.000 0.042 0.000 0.818 273 A HN 0.297 nan 8.150 nan 0.000 0.443 274 S N -0.634 115.150 115.700 0.140 0.000 2.387 274 S HA -0.106 4.364 4.470 -0.000 0.000 0.226 274 S C 1.966 176.680 174.600 0.190 0.000 1.026 274 S CA 1.360 59.705 58.200 0.242 0.000 0.972 274 S CB -0.177 63.125 63.200 0.170 0.000 0.814 274 S HN 0.676 nan 8.310 nan 0.000 0.477 275 K N 1.623 122.080 120.400 0.096 0.000 2.057 275 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 275 K C 2.256 178.898 176.600 0.071 0.000 1.050 275 K CA 1.150 57.483 56.287 0.076 0.000 0.935 275 K CB -0.357 32.191 32.500 0.080 0.000 0.715 275 K HN 0.289 nan 8.250 nan 0.000 0.439 276 A N 1.753 124.570 122.820 -0.006 0.000 1.908 276 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 276 A C 2.142 179.671 177.584 -0.091 0.000 1.181 276 A CA 1.250 53.139 52.037 -0.246 0.000 0.627 276 A CB -0.620 17.959 19.000 -0.701 0.000 0.818 276 A HN 0.418 nan 8.150 nan 0.000 0.445 277 L N -0.741 120.432 121.223 -0.084 0.000 2.027 277 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 277 L C 2.659 179.406 176.870 -0.206 0.000 1.074 277 L CA 2.108 56.661 54.840 -0.479 0.000 0.745 277 L CB -0.634 41.103 42.059 -0.536 0.000 0.898 277 L HN 0.392 nan 8.230 nan 0.000 0.433 278 T N -0.898 113.693 114.554 0.061 0.000 2.803 278 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 278 T C 1.980 176.651 174.700 -0.049 0.000 1.052 278 T CA 1.664 63.768 62.100 0.007 0.000 1.136 278 T CB -0.047 68.833 68.868 0.019 0.000 0.864 278 T HN 0.329 nan 8.240 nan 0.000 0.467 279 S N 0.778 116.503 115.700 0.041 0.000 2.414 279 S HA 0.161 4.631 4.470 -0.000 0.000 0.227 279 S C 2.537 177.214 174.600 0.129 0.000 1.022 279 S CA 0.628 58.866 58.200 0.063 0.000 0.958 279 S CB -0.302 62.930 63.200 0.053 0.000 0.797 279 S HN 0.573 nan 8.310 nan 0.000 0.493 280 A N 2.365 125.243 122.820 0.096 0.000 1.933 280 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 280 A C 2.146 179.706 177.584 -0.041 0.000 1.175 280 A CA 1.009 53.087 52.037 0.069 0.000 0.628 280 A CB -0.352 18.604 19.000 -0.073 0.000 0.814 280 A HN 0.306 nan 8.150 nan 0.000 0.444 281 R N -1.417 118.987 120.500 -0.160 0.000 2.075 281 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 281 R C 1.930 178.127 176.300 -0.171 0.000 1.126 281 R CA 1.421 57.379 56.100 -0.238 0.000 0.963 281 R CB -0.753 29.328 30.300 -0.364 0.000 0.858 281 R HN 0.647 nan 8.270 nan 0.000 0.435 282 F N 0.534 120.432 119.950 -0.088 0.000 2.186 282 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 282 F C 2.563 178.339 175.800 -0.039 0.000 1.090 282 F CA 0.681 58.630 58.000 -0.086 0.000 1.307 282 F CB -0.209 38.700 39.000 -0.151 0.000 1.019 282 F HN -0.232 nan 8.300 nan 0.000 0.489 283 V N -0.183 119.846 119.914 0.191 0.000 2.261 283 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 283 V C 2.234 178.393 176.094 0.108 0.000 1.047 283 V CA 1.353 63.747 62.300 0.157 0.000 1.015 283 V CB -0.612 31.317 31.823 0.177 0.000 0.642 283 V HN 0.187 nan 8.190 nan 0.000 0.446 284 L N 1.108 122.368 121.223 0.061 0.000 2.127 284 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 284 L C 2.698 179.603 176.870 0.060 0.000 1.089 284 L CA 2.400 57.259 54.840 0.032 0.000 0.757 284 L CB -1.340 40.701 42.059 -0.031 0.000 0.899 284 L HN 0.616 nan 8.230 nan 0.000 0.434 285 S N -2.251 113.470 115.700 0.035 0.000 2.453 285 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 285 S C 1.561 176.273 174.600 0.187 0.000 1.005 285 S CA 0.827 59.074 58.200 0.078 0.000 0.949 285 S CB -0.187 63.027 63.200 0.023 0.000 0.774 285 S HN 0.415 nan 8.310 nan 0.000 0.510 286 D N 1.269 121.761 120.400 0.154 0.000 2.216 286 D HA 0.088 4.728 4.640 -0.000 0.000 0.208 286 D C 1.865 178.245 176.300 0.133 0.000 0.960 286 D CA 0.758 54.839 54.000 0.136 0.000 0.861 286 D CB 0.068 40.935 40.800 0.111 0.000 0.985 286 D HN 0.300 nan 8.370 nan 0.000 0.493 287 K N 0.702 121.185 120.400 0.137 0.000 2.099 287 K HA 0.121 4.441 4.320 -0.000 0.000 0.203 287 K C 2.423 179.173 176.600 0.250 0.000 1.047 287 K CA 0.087 56.460 56.287 0.144 0.000 0.963 287 K CB -0.592 31.962 32.500 0.090 0.000 0.759 287 K HN 0.168 nan 8.250 nan 0.000 0.451 288 L N 1.224 122.604 121.223 0.261 0.000 2.083 288 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 288 L C -0.704 176.366 176.870 0.334 0.000 1.083 288 L CA 1.128 56.181 54.840 0.356 0.000 0.752 288 L CB -1.651 40.667 42.059 0.432 0.000 0.899 288 L HN 0.061 nan 8.230 nan 0.000 0.433 289 P HA -0.267 nan 4.420 nan 0.000 0.222 289 P C 1.269 178.559 177.300 -0.016 0.000 1.147 289 P CA 1.653 64.766 63.100 0.022 0.000 0.958 289 P CB -0.019 31.740 31.700 0.099 0.000 0.788 290 E N -2.164 118.048 120.200 0.020 0.000 2.268 290 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 290 E C 2.004 178.577 176.600 -0.045 0.000 0.995 290 E CA 0.968 57.346 56.400 -0.035 0.000 0.836 290 E CB -0.804 28.834 29.700 -0.103 0.000 0.763 290 E HN 0.532 nan 8.360 nan 0.000 0.491 291 H N -0.197 118.910 119.070 0.062 0.000 2.395 291 H HA -0.008 4.548 4.556 -0.000 0.000 0.299 291 H C 2.197 177.603 175.328 0.131 0.000 1.070 291 H CA 0.920 57.062 56.048 0.157 0.000 1.356 291 H CB 0.245 30.112 29.762 0.175 0.000 1.401 291 H HN -0.002 nan 8.280 nan 0.000 0.524 292 V N 0.849 120.849 119.914 0.142 0.000 2.255 292 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 292 V C 2.618 178.705 176.094 -0.011 0.000 1.038 292 V CA 2.226 64.534 62.300 0.013 0.000 1.008 292 V CB -0.777 30.880 31.823 -0.275 0.000 0.645 292 V HN 0.559 nan 8.190 nan 0.000 0.449 293 T N -2.449 112.072 114.554 -0.055 0.000 3.227 293 T HA 0.017 4.367 4.350 -0.000 0.000 0.257 293 T C 0.757 175.424 174.700 -0.056 0.000 1.162 293 T CA 0.266 62.328 62.100 -0.063 0.000 1.051 293 T CB -0.332 68.492 68.868 -0.072 0.000 0.953 293 T HN 0.102 nan 8.240 nan 0.000 0.535 294 M N 2.861 122.477 119.600 0.027 0.000 2.146 294 M HA 0.358 4.837 4.480 -0.000 0.000 0.352 294 M C -2.468 173.892 176.300 0.100 0.000 1.343 294 M CA -2.723 52.632 55.300 0.091 0.000 1.115 294 M CB 0.750 33.507 32.600 0.261 0.000 1.657 294 M HN -0.041 nan 8.290 nan 0.000 0.471 295 P HA -0.070 nan 4.420 nan 0.000 0.261 295 P C -0.580 176.783 177.300 0.105 0.000 1.173 295 P CA 0.407 63.539 63.100 0.054 0.000 0.760 295 P CB 0.363 32.082 31.700 0.031 0.000 0.783 296 D N 1.442 121.887 120.400 0.076 0.000 2.341 296 D HA 0.483 5.123 4.640 -0.000 0.000 0.245 296 D C 0.552 176.904 176.300 0.086 0.000 1.106 296 D CA 0.635 54.684 54.000 0.081 0.000 0.905 296 D CB 1.204 42.030 40.800 0.043 0.000 1.202 296 D HN 0.463 nan 8.370 nan 0.000 0.426 297 G N 0.622 109.483 108.800 0.101 0.000 2.488 297 G HA2 0.185 4.145 3.960 -0.000 0.000 0.301 297 G HA3 0.185 4.145 3.960 -0.000 0.000 0.301 297 G C -0.693 174.275 174.900 0.113 0.000 1.339 297 G CA -0.545 44.625 45.100 0.116 0.000 0.803 297 G HN 0.423 nan 8.290 nan 0.000 0.482 298 D N -1.066 119.413 120.400 0.131 0.000 2.402 298 D HA 0.172 4.812 4.640 -0.000 0.000 0.216 298 D C 0.321 176.709 176.300 0.147 0.000 1.128 298 D CA -0.665 53.391 54.000 0.094 0.000 0.833 298 D CB -0.028 40.806 40.800 0.058 0.000 0.971 298 D HN 0.180 nan 8.370 nan 0.000 0.503 299 F N 2.006 122.024 119.950 0.115 0.000 2.578 299 F HA 0.229 4.756 4.527 -0.000 0.000 0.376 299 F C 0.234 176.190 175.800 0.259 0.000 1.085 299 F CA 0.200 58.300 58.000 0.167 0.000 1.260 299 F CB 0.837 39.932 39.000 0.159 0.000 1.095 299 F HN -0.111 nan 8.300 nan 0.000 0.573 300 S N 6.961 122.243 115.700 -0.698 0.000 2.659 300 S HA 0.389 4.859 4.470 -0.000 0.000 0.312 300 S C 0.880 175.124 174.600 -0.592 0.000 1.114 300 S CA -0.856 57.115 58.200 -0.380 0.000 1.063 300 S CB 0.637 63.727 63.200 -0.184 0.000 0.996 300 S HN 0.734 nan 8.310 nan 0.000 0.478 301 I N 4.502 124.938 120.570 -0.224 0.000 2.361 301 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 301 I C 2.579 178.789 176.117 0.156 0.000 1.133 301 I CA 1.028 62.339 61.300 0.019 0.000 1.413 301 I CB -0.120 37.969 38.000 0.148 0.000 1.073 301 I HN 0.647 nan 8.210 nan 0.000 0.424 302 R N 0.200 120.746 120.500 0.076 0.000 2.062 302 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 302 R C 2.532 178.856 176.300 0.040 0.000 1.136 302 R CA 1.688 57.839 56.100 0.084 0.000 0.948 302 R CB -0.456 29.875 30.300 0.050 0.000 0.845 302 R HN 0.231 nan 8.270 nan 0.000 0.430 303 S N 0.427 116.114 115.700 -0.021 0.000 2.370 303 S HA -0.206 4.263 4.470 -0.000 0.000 0.226 303 S C 1.383 175.983 174.600 -0.000 0.000 1.033 303 S CA 1.371 59.552 58.200 -0.032 0.000 1.011 303 S CB -0.389 62.768 63.200 -0.071 0.000 0.852 303 S HN 0.481 nan 8.310 nan 0.000 0.457 304 W N 2.453 123.654 121.300 -0.167 0.000 2.338 304 W HA -0.113 4.547 4.660 -0.000 0.000 0.304 304 W C 1.623 178.145 176.519 0.006 0.000 1.212 304 W CA 1.147 58.455 57.345 -0.062 0.000 1.264 304 W CB -0.549 28.891 29.460 -0.034 0.000 1.142 304 W HN 0.204 nan 8.180 nan 0.000 0.512 305 L N 0.295 121.444 121.223 -0.124 0.000 2.083 305 L HA -0.187 4.152 4.340 -0.000 0.000 0.209 305 L C 2.291 179.004 176.870 -0.261 0.000 1.083 305 L CA 1.775 56.433 54.840 -0.303 0.000 0.752 305 L CB -0.870 41.180 42.059 -0.015 0.000 0.899 305 L HN 0.041 nan 8.230 nan 0.000 0.433 306 E N -0.698 119.415 120.200 -0.145 0.000 2.285 306 E HA -0.130 4.219 4.350 -0.000 0.000 0.194 306 E C 0.372 176.896 176.600 -0.126 0.000 0.997 306 E CA 0.174 56.510 56.400 -0.107 0.000 0.845 306 E CB 0.002 29.670 29.700 -0.053 0.000 0.782 306 E HN 0.257 nan 8.360 nan 0.000 0.491 307 D N 0.756 121.054 120.400 -0.170 0.000 2.365 307 D HA 0.046 4.686 4.640 -0.000 0.000 0.237 307 D C -1.899 174.287 176.300 -0.191 0.000 1.190 307 D CA -2.491 51.425 54.000 -0.140 0.000 0.867 307 D CB 1.343 42.088 40.800 -0.091 0.000 1.050 307 D HN -0.211 nan 8.370 nan 0.000 0.491 308 P HA -0.090 nan 4.420 nan 0.000 0.215 308 P C 0.691 177.944 177.300 -0.078 0.000 1.153 308 P CA 0.858 63.894 63.100 -0.107 0.000 0.853 308 P CB 0.254 31.916 31.700 -0.063 0.000 0.788 309 N N -0.606 118.070 118.700 -0.041 0.000 2.521 309 N HA 0.001 4.741 4.740 -0.000 0.000 0.188 309 N C 1.196 176.725 175.510 0.031 0.000 1.146 309 N CA 0.490 53.543 53.050 0.004 0.000 0.893 309 N CB -0.459 38.041 38.487 0.021 0.000 0.975 309 N HN 0.125 nan 8.380 nan 0.000 0.451 310 G N -0.107 108.677 108.800 -0.025 0.000 2.554 310 G HA2 0.339 4.299 3.960 -0.000 0.000 0.238 310 G HA3 0.339 4.299 3.960 -0.000 0.000 0.238 310 G C 0.844 175.841 174.900 0.162 0.000 1.259 310 G CA -0.017 45.111 45.100 0.047 0.000 0.843 310 G HN 0.161 nan 8.290 nan 0.000 0.582 311 G N 0.487 109.560 108.800 0.455 0.000 2.935 311 G HA2 0.299 4.259 3.960 -0.000 0.000 0.157 311 G HA3 0.299 4.259 3.960 -0.000 0.000 0.157 311 G C 0.117 175.364 174.900 0.579 0.000 1.712 311 G CA -0.475 44.880 45.100 0.425 0.000 1.071 311 G HN 0.607 nan 8.290 nan 0.000 0.539 312 N N -0.725 118.301 118.700 0.543 0.000 2.272 312 N HA 0.403 5.143 4.740 -0.000 0.000 0.305 312 N C -1.381 174.259 175.510 0.217 0.000 1.103 312 N CA -0.489 52.840 53.050 0.466 0.000 0.791 312 N CB 2.505 41.097 38.487 0.175 0.000 1.356 312 N HN 0.247 nan 8.380 nan 0.000 0.486 313 L N 1.770 122.921 121.223 -0.120 0.000 2.282 313 L HA 0.519 4.859 4.340 -0.000 0.000 0.288 313 L C -1.243 175.407 176.870 -0.366 0.000 1.033 313 L CA -0.619 53.948 54.840 -0.455 0.000 0.807 313 L CB 0.364 41.845 42.059 -0.963 0.000 1.209 313 L HN 0.390 nan 8.230 nan 0.000 0.423 314 F N 5.505 125.356 119.950 -0.164 0.000 2.427 314 F HA 0.437 4.964 4.527 -0.000 0.000 0.348 314 F C 0.147 175.899 175.800 -0.081 0.000 1.125 314 F CA -0.427 57.537 58.000 -0.061 0.000 0.989 314 F CB 1.409 40.391 39.000 -0.030 0.000 1.165 314 F HN 0.217 nan 8.300 nan 0.000 0.442 315 I N 3.905 124.570 120.570 0.158 0.000 2.306 315 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 315 I C 0.203 176.568 176.117 0.412 0.000 1.036 315 I CA -0.228 61.194 61.300 0.204 0.000 1.221 315 I CB 0.797 38.950 38.000 0.255 0.000 1.385 315 I HN 0.633 nan 8.210 nan 0.000 0.472 316 T N 2.148 116.929 114.554 0.379 0.000 2.949 316 T HA 0.799 5.149 4.350 -0.000 0.000 0.287 316 T C -0.997 174.034 174.700 0.552 0.000 1.034 316 T CA -0.695 61.619 62.100 0.357 0.000 1.018 316 T CB 2.076 71.041 68.868 0.161 0.000 1.135 316 T HN 0.690 nan 8.240 nan 0.000 0.532 317 W N -0.875 120.443 121.300 0.029 0.000 3.338 317 W HA 0.576 5.236 4.660 -0.000 0.000 0.299 317 W C -1.785 174.636 176.519 -0.163 0.000 1.226 317 W CA -1.207 56.117 57.345 -0.035 0.000 1.183 317 W CB 0.763 30.240 29.460 0.028 0.000 1.360 317 W HN 0.781 nan 8.180 nan 0.000 0.569 318 R N 2.446 122.828 120.500 -0.196 0.000 2.340 318 R HA 0.129 4.469 4.340 -0.000 0.000 0.300 318 R C 1.147 177.369 176.300 -0.130 0.000 1.069 318 R CA -0.305 55.592 56.100 -0.338 0.000 0.984 318 R CB 1.235 31.277 30.300 -0.430 0.000 1.003 318 R HN 0.761 nan 8.270 nan 0.000 0.459 319 E N 1.693 121.766 120.200 -0.212 0.000 2.136 319 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 319 E C 1.061 177.690 176.600 0.049 0.000 1.019 319 E CA 1.991 58.358 56.400 -0.055 0.000 0.819 319 E CB 0.088 29.729 29.700 -0.098 0.000 0.739 319 E HN 0.651 nan 8.360 nan 0.000 0.458 320 D N -0.445 119.945 120.400 -0.017 0.000 2.384 320 D HA -0.180 4.460 4.640 -0.000 0.000 0.222 320 D C 1.376 177.676 176.300 0.000 0.000 0.976 320 D CA 0.940 54.933 54.000 -0.011 0.000 0.915 320 D CB -0.157 40.618 40.800 -0.042 0.000 0.896 320 D HN 0.286 nan 8.370 nan 0.000 0.523 321 M N -0.392 119.230 119.600 0.035 0.000 2.346 321 M HA 0.288 4.768 4.480 -0.000 0.000 0.280 321 M C 1.854 178.201 176.300 0.079 0.000 1.075 321 M CA 0.075 55.385 55.300 0.016 0.000 0.989 321 M CB 1.237 33.794 32.600 -0.071 0.000 1.447 321 M HN 0.074 nan 8.290 nan 0.000 0.511 322 G N 2.830 111.748 108.800 0.197 0.000 2.476 322 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 322 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 322 G C -0.603 174.267 174.900 -0.050 0.000 1.164 322 G CA 0.793 45.972 45.100 0.133 0.000 0.768 322 G HN 0.329 nan 8.290 nan 0.000 0.560 323 P HA -0.015 nan 4.420 nan 0.000 0.217 323 P C 1.958 179.228 177.300 -0.049 0.000 1.150 323 P CA 1.845 64.928 63.100 -0.028 0.000 0.832 323 P CB -0.109 31.590 31.700 -0.002 0.000 0.787 324 A N 0.124 122.919 122.820 -0.043 0.000 1.929 324 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 324 A C 2.256 179.798 177.584 -0.071 0.000 1.176 324 A CA 1.015 53.031 52.037 -0.035 0.000 0.628 324 A CB -1.310 17.679 19.000 -0.018 0.000 0.816 324 A HN 0.153 nan 8.150 nan 0.000 0.444 325 L N -1.182 119.962 121.223 -0.132 0.000 2.592 325 L HA 0.123 4.463 4.340 -0.000 0.000 0.227 325 L C 2.289 178.959 176.870 -0.333 0.000 1.127 325 L CA 0.127 54.830 54.840 -0.227 0.000 0.884 325 L CB -0.298 41.608 42.059 -0.254 0.000 1.065 325 L HN 0.444 nan 8.230 nan 0.000 0.457 326 R N 1.658 122.002 120.500 -0.260 0.000 2.094 326 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 326 R C -0.449 175.721 176.300 -0.216 0.000 1.137 326 R CA 1.959 57.913 56.100 -0.244 0.000 0.943 326 R CB -0.951 29.263 30.300 -0.142 0.000 0.850 326 R HN 0.202 nan 8.270 nan 0.000 0.433 327 P HA -0.182 nan 4.420 nan 0.000 0.218 327 P C 1.474 178.660 177.300 -0.191 0.000 1.149 327 P CA 1.181 64.213 63.100 -0.114 0.000 0.817 327 P CB -0.113 31.568 31.700 -0.032 0.000 0.785 328 L N -0.654 120.341 121.223 -0.379 0.000 2.068 328 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 328 L C 2.577 178.900 176.870 -0.910 0.000 1.076 328 L CA 1.202 55.594 54.840 -0.747 0.000 0.753 328 L CB -0.588 40.938 42.059 -0.889 0.000 0.910 328 L HN -0.171 nan 8.230 nan 0.000 0.439 329 I N -0.443 119.723 120.570 -0.672 0.000 2.264 329 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 329 I C 2.516 178.495 176.117 -0.230 0.000 1.111 329 I CA 1.220 62.257 61.300 -0.438 0.000 1.382 329 I CB -0.216 37.503 38.000 -0.468 0.000 1.060 329 I HN 0.225 nan 8.210 nan 0.000 0.418 330 S N 0.763 116.334 115.700 -0.215 0.000 2.382 330 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 330 S C 2.278 176.856 174.600 -0.038 0.000 1.027 330 S CA 1.232 59.380 58.200 -0.085 0.000 0.991 330 S CB -0.343 62.811 63.200 -0.078 0.000 0.823 330 S HN 0.552 nan 8.310 nan 0.000 0.469 331 A N 1.497 124.253 122.820 -0.106 0.000 1.883 331 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 331 A C 1.897 179.526 177.584 0.075 0.000 1.186 331 A CA 1.386 53.422 52.037 -0.002 0.000 0.624 331 A CB -0.917 18.104 19.000 0.035 0.000 0.822 331 A HN 0.627 nan 8.150 nan 0.000 0.444 332 W N -0.112 121.152 121.300 -0.061 0.000 2.358 332 W HA -0.078 4.582 4.660 -0.000 0.000 0.303 332 W C 2.342 178.850 176.519 -0.019 0.000 1.208 332 W CA 1.023 58.289 57.345 -0.132 0.000 1.274 332 W CB -1.392 27.921 29.460 -0.245 0.000 1.138 332 W HN 0.186 nan 8.180 nan 0.000 0.515 333 V N 0.365 120.417 119.914 0.229 0.000 2.343 333 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 333 V C 2.174 178.364 176.094 0.159 0.000 1.051 333 V CA 2.340 64.745 62.300 0.174 0.000 1.036 333 V CB -0.821 31.082 31.823 0.134 0.000 0.654 333 V HN 0.142 nan 8.190 nan 0.000 0.451 334 D N 0.059 120.548 120.400 0.148 0.000 2.144 334 D HA -0.123 4.516 4.640 -0.000 0.000 0.200 334 D C 2.098 178.508 176.300 0.184 0.000 0.978 334 D CA 1.324 55.406 54.000 0.137 0.000 0.833 334 D CB 0.258 41.123 40.800 0.109 0.000 0.961 334 D HN 0.321 nan 8.370 nan 0.000 0.470 335 V N 0.834 120.912 119.914 0.274 0.000 2.392 335 V HA -0.218 3.901 4.120 -0.000 0.000 0.249 335 V C 2.716 179.004 176.094 0.323 0.000 1.059 335 V CA 0.983 63.525 62.300 0.404 0.000 1.051 335 V CB -0.329 31.779 31.823 0.475 0.000 0.658 335 V HN 0.120 nan 8.190 nan 0.000 0.455 336 V N -1.313 118.747 119.914 0.244 0.000 2.453 336 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 336 V C 2.499 178.690 176.094 0.161 0.000 1.048 336 V CA 1.973 64.402 62.300 0.214 0.000 1.049 336 V CB -0.706 31.237 31.823 0.199 0.000 0.672 336 V HN 0.633 nan 8.190 nan 0.000 0.457 337 C N 0.330 119.708 119.300 0.130 0.000 2.425 337 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 337 C C 2.920 177.948 174.990 0.062 0.000 1.280 337 C CA 1.824 60.888 59.018 0.076 0.000 1.744 337 C CB -1.211 26.565 27.740 0.060 0.000 1.989 337 C HN 0.686 nan 8.230 nan 0.000 0.491 338 T N -0.236 114.364 114.554 0.076 0.000 2.852 338 T HA -0.069 4.281 4.350 -0.000 0.000 0.256 338 T C 1.975 176.728 174.700 0.088 0.000 1.038 338 T CA 1.393 63.514 62.100 0.035 0.000 1.141 338 T CB -0.375 68.447 68.868 -0.077 0.000 0.869 338 T HN 0.469 nan 8.240 nan 0.000 0.439 339 S N 2.304 118.106 115.700 0.170 0.000 2.387 339 S HA -0.122 4.348 4.470 -0.000 0.000 0.230 339 S C 2.127 176.804 174.600 0.130 0.000 1.035 339 S CA 1.488 59.809 58.200 0.202 0.000 1.014 339 S CB -0.587 62.772 63.200 0.265 0.000 0.836 339 S HN 0.694 nan 8.310 nan 0.000 0.466 340 I N -0.463 120.168 120.570 0.101 0.000 2.700 340 I HA -0.007 4.163 4.170 -0.000 0.000 0.261 340 I C 1.551 177.692 176.117 0.039 0.000 1.219 340 I CA 1.024 62.359 61.300 0.059 0.000 1.463 340 I CB -0.610 37.415 38.000 0.041 0.000 1.092 340 I HN 0.070 nan 8.210 nan 0.000 0.452 341 L N 0.167 121.419 121.223 0.047 0.000 2.465 341 L HA 0.063 4.403 4.340 -0.000 0.000 0.224 341 L C 2.032 178.928 176.870 0.044 0.000 1.145 341 L CA 1.248 56.107 54.840 0.032 0.000 0.834 341 L CB -0.787 41.289 42.059 0.027 0.000 0.944 341 L HN 0.304 nan 8.230 nan 0.000 0.451 342 S N -1.620 114.122 115.700 0.070 0.000 2.540 342 S HA 0.292 4.762 4.470 -0.000 0.000 0.222 342 S C 0.736 175.369 174.600 0.055 0.000 1.008 342 S CA -0.462 57.787 58.200 0.081 0.000 0.939 342 S CB 0.266 63.548 63.200 0.136 0.000 0.865 342 S HN 0.120 nan 8.310 nan 0.000 0.499 343 L N 3.678 124.923 121.223 0.038 0.000 2.499 343 L HA 0.156 4.496 4.340 -0.000 0.000 0.281 343 L C -1.839 175.033 176.870 0.004 0.000 1.234 343 L CA -1.190 53.658 54.840 0.014 0.000 0.839 343 L CB -0.242 41.815 42.059 -0.004 0.000 1.104 343 L HN 0.080 nan 8.230 nan 0.000 0.500 344 P HA 0.036 nan 4.420 nan 0.000 0.275 344 P C -0.728 176.562 177.300 -0.016 0.000 1.228 344 P CA -0.533 62.563 63.100 -0.007 0.000 0.786 344 P CB 0.812 32.506 31.700 -0.009 0.000 0.927 345 E N 1.906 122.096 120.200 -0.016 0.000 2.603 345 E HA -0.075 4.274 4.350 -0.000 0.000 0.242 345 E C -0.514 176.071 176.600 -0.026 0.000 1.083 345 E CA 0.729 57.116 56.400 -0.022 0.000 0.950 345 E CB -0.401 29.287 29.700 -0.019 0.000 0.952 345 E HN 0.270 nan 8.360 nan 0.000 0.498 346 E N 5.611 125.792 120.200 -0.032 0.000 2.460 346 E HA 0.338 4.688 4.350 -0.000 0.000 0.249 346 E C -2.373 174.202 176.600 -0.041 0.000 0.962 346 E CA -2.224 54.155 56.400 -0.035 0.000 0.787 346 E CB 1.277 30.953 29.700 -0.040 0.000 1.341 346 E HN 0.289 nan 8.360 nan 0.000 0.407 347 P HA -0.143 nan 4.420 nan 0.000 0.219 347 P C 0.689 177.964 177.300 -0.042 0.000 1.146 347 P CA 0.908 63.984 63.100 -0.040 0.000 0.808 347 P CB 0.370 32.050 31.700 -0.034 0.000 0.779 348 K N -0.998 119.380 120.400 -0.037 0.000 2.432 348 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 348 K C 1.045 177.622 176.600 -0.038 0.000 1.038 348 K CA 0.134 56.402 56.287 -0.033 0.000 0.986 348 K CB -0.115 32.369 32.500 -0.026 0.000 0.782 348 K HN 0.211 nan 8.250 nan 0.000 0.485 349 R N 1.516 121.986 120.500 -0.050 0.000 2.491 349 R HA 0.079 4.419 4.340 -0.000 0.000 0.283 349 R C -0.498 175.760 176.300 -0.070 0.000 1.072 349 R CA 0.210 56.275 56.100 -0.059 0.000 1.048 349 R CB 0.470 30.728 30.300 -0.070 0.000 0.983 349 R HN -0.069 nan 8.270 nan 0.000 0.450 350 R N 5.182 125.648 120.500 -0.058 0.000 2.545 350 R HA 0.288 4.628 4.340 -0.000 0.000 0.289 350 R C -1.154 175.112 176.300 -0.056 0.000 1.327 350 R CA -0.546 55.504 56.100 -0.084 0.000 1.040 350 R CB 1.242 31.542 30.300 -0.000 0.000 1.176 350 R HN 0.444 nan 8.270 nan 0.000 0.518 351 L N 3.252 124.393 121.223 -0.136 0.000 2.313 351 L HA 0.513 4.853 4.340 -0.000 0.000 0.283 351 L C -1.132 175.673 176.870 -0.109 0.000 1.013 351 L CA -0.731 54.089 54.840 -0.035 0.000 0.816 351 L CB 1.134 43.180 42.059 -0.023 0.000 1.236 351 L HN 0.518 nan 8.230 nan 0.000 0.419 352 W N 5.494 126.817 121.300 0.039 0.000 2.496 352 W HA 0.491 5.151 4.660 -0.000 0.000 0.327 352 W C -0.406 176.110 176.519 -0.004 0.000 1.086 352 W CA -0.372 56.955 57.345 -0.029 0.000 1.222 352 W CB 1.306 30.763 29.460 -0.006 0.000 1.304 352 W HN 0.195 nan 8.180 nan 0.000 0.547 353 L N 4.185 125.474 121.223 0.110 0.000 2.342 353 L HA 0.469 4.809 4.340 -0.000 0.000 0.276 353 L C -1.685 175.194 176.870 0.016 0.000 0.997 353 L CA -0.785 54.125 54.840 0.116 0.000 0.838 353 L CB 0.477 42.581 42.059 0.075 0.000 1.224 353 L HN 0.327 nan 8.230 nan 0.000 0.416 354 F N 5.679 125.743 119.950 0.190 0.000 2.361 354 F HA 0.431 4.958 4.527 -0.000 0.000 0.364 354 F C 0.429 176.320 175.800 0.153 0.000 1.120 354 F CA -0.321 57.777 58.000 0.164 0.000 1.102 354 F CB 1.253 40.313 39.000 0.100 0.000 1.183 354 F HN 0.254 nan 8.300 nan 0.000 0.476 355 I N 4.748 125.492 120.570 0.289 0.000 2.460 355 I HA 0.102 4.272 4.170 -0.000 0.000 0.277 355 I C 0.734 176.987 176.117 0.227 0.000 1.057 355 I CA -0.500 60.945 61.300 0.241 0.000 1.179 355 I CB 0.893 39.007 38.000 0.189 0.000 1.329 355 I HN 0.582 nan 8.210 nan 0.000 0.478 356 D N 4.244 124.791 120.400 0.245 0.000 2.133 356 D HA -0.259 4.380 4.640 -0.000 0.000 0.192 356 D C 0.506 176.896 176.300 0.151 0.000 1.001 356 D CA 1.730 55.846 54.000 0.194 0.000 0.844 356 D CB 0.326 41.231 40.800 0.174 0.000 0.944 356 D HN 0.413 nan 8.370 nan 0.000 0.447 357 E N -1.097 119.200 120.200 0.162 0.000 2.502 357 E HA 0.239 4.589 4.350 -0.000 0.000 0.261 357 E C 0.322 176.994 176.600 0.121 0.000 0.974 357 E CA -0.442 56.030 56.400 0.121 0.000 0.795 357 E CB 0.991 30.765 29.700 0.124 0.000 1.385 357 E HN 0.021 nan 8.360 nan 0.000 0.400 358 L N 3.416 124.694 121.223 0.092 0.000 2.081 358 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 358 L C 1.708 178.662 176.870 0.140 0.000 1.080 358 L CA 2.651 57.553 54.840 0.103 0.000 0.754 358 L CB -0.274 41.808 42.059 0.039 0.000 0.893 358 L HN 0.602 nan 8.230 nan 0.000 0.433 359 A N -2.269 120.619 122.820 0.113 0.000 2.209 359 A HA -0.022 4.297 4.320 -0.000 0.000 0.212 359 A C 2.240 179.889 177.584 0.108 0.000 1.158 359 A CA 1.237 53.356 52.037 0.136 0.000 0.742 359 A CB -0.519 18.537 19.000 0.094 0.000 0.790 359 A HN 0.488 nan 8.150 nan 0.000 0.472 360 S N -0.533 115.227 115.700 0.101 0.000 2.528 360 S HA 0.260 4.730 4.470 -0.000 0.000 0.219 360 S C 0.756 175.379 174.600 0.039 0.000 0.985 360 S CA -0.012 58.235 58.200 0.079 0.000 0.914 360 S CB -0.202 63.068 63.200 0.116 0.000 0.776 360 S HN 0.494 nan 8.310 nan 0.000 0.526 361 L N 1.023 122.278 121.223 0.054 0.000 2.569 361 L HA 0.400 4.740 4.340 -0.000 0.000 0.247 361 L C 0.815 177.680 176.870 -0.009 0.000 1.135 361 L CA -0.792 54.054 54.840 0.010 0.000 0.812 361 L CB 0.362 42.452 42.059 0.052 0.000 1.431 361 L HN 0.096 nan 8.230 nan 0.000 0.499 362 E N -0.037 120.135 120.200 -0.047 0.000 2.602 362 E HA 0.118 4.468 4.350 -0.000 0.000 0.255 362 E C -0.641 175.839 176.600 -0.200 0.000 1.268 362 E CA -0.772 55.565 56.400 -0.105 0.000 1.007 362 E CB 0.634 30.280 29.700 -0.090 0.000 1.208 362 E HN 0.265 nan 8.360 nan 0.000 0.584 363 K N 1.920 122.108 120.400 -0.353 0.000 2.165 363 K HA 0.065 4.385 4.320 -0.000 0.000 0.270 363 K C -0.373 176.087 176.600 -0.232 0.000 1.091 363 K CA -0.085 55.819 56.287 -0.639 0.000 1.019 363 K CB -0.551 31.622 32.500 -0.544 0.000 1.101 363 K HN 0.308 nan 8.250 nan 0.000 0.397 364 L N 3.891 125.100 121.223 -0.023 0.000 2.559 364 L HA -0.061 4.279 4.340 -0.000 0.000 0.274 364 L C 1.536 178.464 176.870 0.096 0.000 1.205 364 L CA -0.273 54.623 54.840 0.094 0.000 0.907 364 L CB 0.692 42.860 42.059 0.181 0.000 1.153 364 L HN 0.765 nan 8.230 nan 0.000 0.490 365 A N 2.527 125.375 122.820 0.047 0.000 1.968 365 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 365 A C 1.930 179.539 177.584 0.041 0.000 1.169 365 A CA 1.617 53.675 52.037 0.035 0.000 0.638 365 A CB -0.118 18.889 19.000 0.011 0.000 0.812 365 A HN 0.780 nan 8.150 nan 0.000 0.446 366 S N -0.732 114.994 115.700 0.043 0.000 2.539 366 S HA 0.256 4.726 4.470 -0.000 0.000 0.221 366 S C 1.446 176.062 174.600 0.025 0.000 0.987 366 S CA -0.167 58.049 58.200 0.026 0.000 0.929 366 S CB -0.012 63.197 63.200 0.014 0.000 0.832 366 S HN 0.442 nan 8.310 nan 0.000 0.492 367 L N 1.838 123.091 121.223 0.051 0.000 2.012 367 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 367 L C 2.736 179.584 176.870 -0.038 0.000 1.073 367 L CA 1.810 56.662 54.840 0.019 0.000 0.748 367 L CB -0.767 41.334 42.059 0.070 0.000 0.891 367 L HN 0.444 nan 8.230 nan 0.000 0.431 368 A N -0.218 122.596 122.820 -0.009 0.000 1.873 368 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 368 A C 1.867 179.420 177.584 -0.052 0.000 1.193 368 A CA 2.251 54.266 52.037 -0.036 0.000 0.629 368 A CB -0.744 18.256 19.000 0.000 0.000 0.826 368 A HN 0.523 nan 8.150 nan 0.000 0.447 369 D N -0.306 120.075 120.400 -0.032 0.000 2.219 369 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 369 D C 2.154 178.428 176.300 -0.044 0.000 0.970 369 D CA 1.216 55.197 54.000 -0.033 0.000 0.851 369 D CB -0.271 40.517 40.800 -0.020 0.000 0.943 369 D HN 0.466 nan 8.370 nan 0.000 0.488 370 A N 0.808 123.594 122.820 -0.058 0.000 1.930 370 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 370 A C 2.228 179.738 177.584 -0.123 0.000 1.175 370 A CA 0.631 52.624 52.037 -0.072 0.000 0.627 370 A CB -0.609 18.349 19.000 -0.070 0.000 0.815 370 A HN 0.192 nan 8.150 nan 0.000 0.443 371 L N -0.884 120.213 121.223 -0.210 0.000 2.610 371 L HA -0.006 4.334 4.340 -0.000 0.000 0.232 371 L C 1.793 178.639 176.870 -0.040 0.000 1.149 371 L CA 1.026 55.671 54.840 -0.325 0.000 0.872 371 L CB -0.064 41.694 42.059 -0.502 0.000 0.992 371 L HN 0.326 nan 8.230 nan 0.000 0.447 372 T N -1.927 112.604 114.554 -0.038 0.000 2.954 372 T HA 0.105 4.455 4.350 -0.000 0.000 0.252 372 T C 1.191 175.880 174.700 -0.020 0.000 0.983 372 T CA 0.133 62.220 62.100 -0.021 0.000 0.941 372 T CB 0.563 69.411 68.868 -0.034 0.000 1.141 372 T HN 0.147 nan 8.240 nan 0.000 0.500 373 K N 0.775 121.162 120.400 -0.021 0.000 2.564 373 K HA 0.349 4.669 4.320 -0.000 0.000 0.205 373 K C 1.350 177.936 176.600 -0.023 0.000 1.053 373 K CA -0.159 56.114 56.287 -0.024 0.000 1.072 373 K CB 1.066 33.551 32.500 -0.024 0.000 0.822 373 K HN 0.143 nan 8.250 nan 0.000 0.497 374 G N 0.796 109.587 108.800 -0.014 0.000 3.088 374 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 374 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 374 G C 1.206 176.079 174.900 -0.046 0.000 1.159 374 G CA -0.217 44.871 45.100 -0.020 0.000 0.760 374 G HN 0.104 nan 8.290 nan 0.000 0.550 375 R N 0.733 121.196 120.500 -0.062 0.000 2.091 375 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 375 R C 2.210 178.460 176.300 -0.083 0.000 1.136 375 R CA 1.441 57.483 56.100 -0.096 0.000 0.959 375 R CB -0.167 30.074 30.300 -0.097 0.000 0.856 375 R HN 0.226 nan 8.270 nan 0.000 0.437 376 K N -0.495 119.868 120.400 -0.061 0.000 2.097 376 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 376 K C 1.836 178.404 176.600 -0.053 0.000 1.049 376 K CA 1.417 57.672 56.287 -0.053 0.000 0.933 376 K CB -0.045 32.431 32.500 -0.040 0.000 0.717 376 K HN 0.215 nan 8.250 nan 0.000 0.442 377 A N -0.136 122.653 122.820 -0.051 0.000 2.169 377 A HA 0.133 4.453 4.320 -0.000 0.000 0.212 377 A C 1.342 178.882 177.584 -0.073 0.000 1.153 377 A CA 1.009 53.016 52.037 -0.050 0.000 0.756 377 A CB -0.182 18.798 19.000 -0.033 0.000 0.813 377 A HN 0.429 nan 8.150 nan 0.000 0.471 378 G N -1.278 107.466 108.800 -0.095 0.000 2.132 378 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.228 378 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.228 378 G C 0.096 174.885 174.900 -0.185 0.000 1.000 378 G CA 0.162 45.180 45.100 -0.137 0.000 0.693 378 G HN 0.550 nan 8.290 nan 0.000 0.515 379 L N 0.229 121.370 121.223 -0.137 0.000 2.453 379 L HA 0.490 4.830 4.340 -0.000 0.000 0.272 379 L C 0.554 177.309 176.870 -0.191 0.000 1.182 379 L CA 0.081 54.844 54.840 -0.129 0.000 0.858 379 L CB 0.352 42.387 42.059 -0.040 0.000 1.120 379 L HN 0.293 nan 8.230 nan 0.000 0.474 380 R N 3.959 124.267 120.500 -0.321 0.000 2.468 380 R HA 0.452 4.792 4.340 -0.000 0.000 0.302 380 R C -1.321 174.868 176.300 -0.185 0.000 1.041 380 R CA -0.631 55.183 56.100 -0.476 0.000 0.899 380 R CB 2.037 31.441 30.300 -1.494 0.000 1.167 380 R HN 0.340 nan 8.270 nan 0.000 0.483 381 V N 3.663 123.654 119.914 0.127 0.000 2.472 381 V HA 0.469 4.588 4.120 -0.000 0.000 0.290 381 V C -0.153 176.059 176.094 0.196 0.000 1.037 381 V CA -0.768 61.543 62.300 0.019 0.000 0.908 381 V CB 2.013 33.678 31.823 -0.264 0.000 0.985 381 V HN 0.398 nan 8.190 nan 0.000 0.454 382 V N 3.684 123.662 119.914 0.107 0.000 2.483 382 V HA 0.879 4.999 4.120 -0.000 0.000 0.297 382 V C 0.068 176.264 176.094 0.170 0.000 1.027 382 V CA -0.321 62.071 62.300 0.153 0.000 0.855 382 V CB 1.567 33.359 31.823 -0.052 0.000 0.995 382 V HN 1.057 nan 8.190 nan 0.000 0.424 383 A N 3.403 126.307 122.820 0.139 0.000 2.454 383 A HA 0.989 5.309 4.320 -0.000 0.000 0.302 383 A C -0.088 177.463 177.584 -0.055 0.000 1.079 383 A CA -0.219 51.840 52.037 0.036 0.000 0.731 383 A CB 2.055 21.038 19.000 -0.027 0.000 1.299 383 A HN 1.087 nan 8.150 nan 0.000 0.413 384 G N -0.087 108.712 108.800 -0.002 0.000 2.453 384 G HA2 0.634 4.594 3.960 -0.000 0.000 0.323 384 G HA3 0.634 4.594 3.960 -0.000 0.000 0.323 384 G C -1.469 173.412 174.900 -0.031 0.000 1.198 384 G CA -0.353 44.740 45.100 -0.011 0.000 0.959 384 G HN 0.534 nan 8.290 nan 0.000 0.482 385 L N -0.517 120.683 121.223 -0.040 0.000 2.409 385 L HA 0.545 4.885 4.340 -0.000 0.000 0.255 385 L C 0.694 177.558 176.870 -0.011 0.000 1.027 385 L CA -0.613 54.208 54.840 -0.032 0.000 0.834 385 L CB 1.908 43.924 42.059 -0.072 0.000 1.426 385 L HN 0.738 nan 8.230 nan 0.000 0.411 386 Q N -0.587 119.213 119.800 0.000 0.000 2.579 386 Q HA 0.353 4.693 4.340 -0.000 0.000 0.198 386 Q C -0.535 175.467 176.000 0.003 0.000 0.769 386 Q CA 0.092 55.899 55.803 0.007 0.000 0.861 386 Q CB 1.147 29.895 28.738 0.017 0.000 1.227 386 Q HN 0.673 nan 8.270 nan 0.000 0.615 387 S N 0.637 116.341 115.700 0.007 0.000 2.472 387 S HA 0.161 4.631 4.470 -0.000 0.000 0.303 387 S C 0.551 175.153 174.600 0.004 0.000 1.099 387 S CA -0.107 58.096 58.200 0.006 0.000 1.077 387 S CB 1.726 64.933 63.200 0.011 0.000 1.031 387 S HN 0.538 nan 8.310 nan 0.000 0.487 388 T N -0.496 114.057 114.554 -0.001 0.000 2.946 388 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 388 T C 1.733 176.439 174.700 0.010 0.000 1.104 388 T CA 1.390 63.488 62.100 -0.002 0.000 1.114 388 T CB -0.451 68.414 68.868 -0.006 0.000 0.867 388 T HN 0.593 nan 8.240 nan 0.000 0.513 389 S N 0.822 116.530 115.700 0.014 0.000 2.470 389 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 389 S C 2.039 176.658 174.600 0.031 0.000 1.006 389 S CA -0.034 58.178 58.200 0.020 0.000 0.934 389 S CB -0.348 62.862 63.200 0.016 0.000 0.778 389 S HN 0.584 nan 8.310 nan 0.000 0.517 390 Q N 0.664 120.484 119.800 0.032 0.000 1.967 390 Q HA 0.003 4.343 4.340 -0.000 0.000 0.202 390 Q C 2.176 178.221 176.000 0.074 0.000 0.985 390 Q CA 1.519 57.350 55.803 0.046 0.000 0.839 390 Q CB -0.422 28.341 28.738 0.042 0.000 0.906 390 Q HN 0.461 nan 8.270 nan 0.000 0.423 391 L N 1.227 122.495 121.223 0.076 0.000 2.131 391 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 391 L C 1.346 178.313 176.870 0.162 0.000 1.092 391 L CA 1.793 56.711 54.840 0.130 0.000 0.759 391 L CB -0.317 41.760 42.059 0.030 0.000 0.903 391 L HN 0.125 nan 8.230 nan 0.000 0.435 392 D N -0.709 119.744 120.400 0.089 0.000 2.117 392 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 392 D C 1.820 178.167 176.300 0.078 0.000 0.987 392 D CA 1.396 55.443 54.000 0.079 0.000 0.829 392 D CB -0.098 40.728 40.800 0.042 0.000 0.961 392 D HN 0.423 nan 8.370 nan 0.000 0.460 393 D N -0.622 119.815 120.400 0.061 0.000 2.144 393 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 393 D C 1.905 178.219 176.300 0.025 0.000 0.978 393 D CA 0.546 54.567 54.000 0.036 0.000 0.833 393 D CB 0.231 41.047 40.800 0.025 0.000 0.961 393 D HN -0.013 nan 8.370 nan 0.000 0.470 394 V N -0.449 119.496 119.914 0.052 0.000 2.346 394 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 394 V C 1.609 177.612 176.094 -0.151 0.000 1.037 394 V CA 1.360 63.637 62.300 -0.038 0.000 1.029 394 V CB -0.557 31.267 31.823 0.001 0.000 0.663 394 V HN 0.251 nan 8.190 nan 0.000 0.454 395 Y N 0.309 120.609 120.300 -0.001 0.000 2.497 395 Y HA 0.509 5.059 4.550 -0.000 0.000 0.265 395 Y C 1.343 177.238 175.900 -0.008 0.000 1.111 395 Y CA 0.481 58.580 58.100 -0.002 0.000 1.288 395 Y CB 0.127 38.592 38.460 0.009 0.000 1.082 395 Y HN 0.356 nan 8.280 nan 0.000 0.536 396 G N -0.531 108.343 108.800 0.123 0.000 2.675 396 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.686 396 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.686 396 G C 0.384 175.330 174.900 0.077 0.000 1.215 396 G CA -0.511 44.629 45.100 0.066 0.000 0.777 396 G HN -0.050 nan 8.290 nan 0.000 0.638 397 V N 1.846 121.787 119.914 0.045 0.000 2.255 397 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 397 V C 3.015 179.129 176.094 0.034 0.000 1.051 397 V CA 2.652 64.973 62.300 0.035 0.000 1.018 397 V CB -0.523 31.312 31.823 0.020 0.000 0.641 397 V HN 0.750 nan 8.190 nan 0.000 0.445 398 K N -0.029 120.390 120.400 0.030 0.000 2.002 398 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 398 K C 2.159 178.780 176.600 0.034 0.000 1.048 398 K CA 1.722 58.024 56.287 0.025 0.000 0.930 398 K CB -0.431 32.080 32.500 0.019 0.000 0.714 398 K HN 0.541 nan 8.250 nan 0.000 0.438 399 E N 0.283 120.517 120.200 0.058 0.000 2.110 399 E HA -0.116 4.233 4.350 -0.000 0.000 0.193 399 E C 1.815 178.446 176.600 0.051 0.000 0.988 399 E CA 1.062 57.511 56.400 0.081 0.000 0.804 399 E CB 0.006 29.795 29.700 0.149 0.000 0.745 399 E HN 0.325 nan 8.360 nan 0.000 0.458 400 A N 0.589 123.443 122.820 0.057 0.000 1.930 400 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 400 A C 2.104 179.668 177.584 -0.033 0.000 1.175 400 A CA 1.526 53.550 52.037 -0.022 0.000 0.627 400 A CB -0.515 18.507 19.000 0.037 0.000 0.815 400 A HN 0.324 nan 8.150 nan 0.000 0.443 401 Q N -0.482 119.318 119.800 -0.000 0.000 2.061 401 Q HA -0.178 4.161 4.340 -0.000 0.000 0.204 401 Q C 1.985 177.989 176.000 0.007 0.000 0.984 401 Q CA 2.238 58.043 55.803 0.003 0.000 0.846 401 Q CB -0.334 28.409 28.738 0.009 0.000 0.902 401 Q HN 0.599 nan 8.270 nan 0.000 0.421 402 T N 1.550 116.107 114.554 0.005 0.000 2.720 402 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 402 T C 1.752 176.455 174.700 0.005 0.000 1.037 402 T CA 1.170 63.273 62.100 0.006 0.000 1.144 402 T CB -0.261 68.611 68.868 0.006 0.000 0.864 402 T HN 0.166 nan 8.240 nan 0.000 0.444 403 L N 1.031 122.238 121.223 -0.026 0.000 1.994 403 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 403 L C 2.604 179.558 176.870 0.140 0.000 1.071 403 L CA 1.705 56.531 54.840 -0.023 0.000 0.745 403 L CB -0.452 41.475 42.059 -0.220 0.000 0.892 403 L HN 0.079 nan 8.230 nan 0.000 0.431 404 R N -1.043 119.504 120.500 0.078 0.000 2.096 404 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 404 R C 2.139 178.561 176.300 0.202 0.000 1.127 404 R CA 1.189 57.359 56.100 0.116 0.000 0.968 404 R CB -0.572 29.727 30.300 -0.002 0.000 0.861 404 R HN 0.476 nan 8.270 nan 0.000 0.440 405 A N 0.363 123.253 122.820 0.117 0.000 2.070 405 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 405 A C 1.957 179.605 177.584 0.107 0.000 1.159 405 A CA 1.423 53.516 52.037 0.094 0.000 0.656 405 A CB -0.163 18.865 19.000 0.047 0.000 0.800 405 A HN 0.197 nan 8.150 nan 0.000 0.453 406 S N -0.983 114.783 115.700 0.110 0.000 2.561 406 S HA 0.174 4.644 4.470 -0.000 0.000 0.225 406 S C -0.257 174.323 174.600 -0.034 0.000 0.977 406 S CA 0.069 58.269 58.200 -0.000 0.000 0.926 406 S CB -0.287 62.839 63.200 -0.123 0.000 0.769 406 S HN 0.444 nan 8.310 nan 0.000 0.533 407 F N 2.168 122.161 119.950 0.070 0.000 2.334 407 F HA 0.416 4.943 4.527 -0.000 0.000 0.367 407 F C 1.281 177.125 175.800 0.074 0.000 1.115 407 F CA -1.005 57.061 58.000 0.110 0.000 1.116 407 F CB 0.798 39.843 39.000 0.075 0.000 1.230 407 F HN -0.193 nan 8.300 nan 0.000 0.484 408 R N 0.459 121.072 120.500 0.189 0.000 2.148 408 R HA 0.044 4.384 4.340 -0.000 0.000 0.223 408 R C 0.243 176.632 176.300 0.149 0.000 1.088 408 R CA 0.334 56.508 56.100 0.125 0.000 0.985 408 R CB -0.345 29.986 30.300 0.052 0.000 0.880 408 R HN 0.355 nan 8.270 nan 0.000 0.451 409 S N 1.025 116.843 115.700 0.196 0.000 2.475 409 S HA 0.487 4.957 4.470 -0.000 0.000 0.298 409 S C -0.604 174.076 174.600 0.134 0.000 1.119 409 S CA -0.682 57.632 58.200 0.190 0.000 1.085 409 S CB 1.692 65.068 63.200 0.293 0.000 1.028 409 S HN 0.059 nan 8.310 nan 0.000 0.489 410 L N 3.705 124.955 121.223 0.046 0.000 2.370 410 L HA 0.819 5.159 4.340 -0.000 0.000 0.266 410 L C -1.523 175.323 176.870 -0.039 0.000 1.002 410 L CA -0.499 54.346 54.840 0.010 0.000 0.818 410 L CB 1.952 44.017 42.059 0.010 0.000 1.325 410 L HN 0.442 nan 8.230 nan 0.000 0.418 411 V N 4.714 124.615 119.914 -0.023 0.000 2.525 411 V HA 0.485 4.605 4.120 -0.000 0.000 0.299 411 V C -0.831 175.274 176.094 0.019 0.000 1.034 411 V CA -0.645 61.645 62.300 -0.016 0.000 0.863 411 V CB 2.016 33.828 31.823 -0.017 0.000 0.999 411 V HN 0.528 nan 8.190 nan 0.000 0.423 412 V N 6.590 126.543 119.914 0.067 0.000 2.350 412 V HA 0.363 4.483 4.120 -0.000 0.000 0.276 412 V C 0.629 176.794 176.094 0.118 0.000 1.028 412 V CA -0.167 62.185 62.300 0.087 0.000 0.860 412 V CB 1.595 33.475 31.823 0.095 0.000 0.990 412 V HN 0.759 nan 8.190 nan 0.000 0.453 413 L N 4.042 125.308 121.223 0.071 0.000 2.667 413 L HA 0.459 4.799 4.340 -0.000 0.000 0.232 413 L C 1.075 177.983 176.870 0.063 0.000 1.138 413 L CA 0.398 55.273 54.840 0.059 0.000 0.921 413 L CB -0.048 42.033 42.059 0.036 0.000 1.180 413 L HN 0.998 nan 8.230 nan 0.000 0.487 414 G N -0.017 108.831 108.800 0.080 0.000 3.153 414 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.686 414 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.686 414 G C -0.197 174.727 174.900 0.041 0.000 0.995 414 G CA -0.447 44.695 45.100 0.069 0.000 0.783 414 G HN 0.381 nan 8.290 nan 0.000 0.551 415 G N -0.117 108.702 108.800 0.033 0.000 3.013 415 G HA2 0.881 4.841 3.960 -0.000 0.000 0.278 415 G HA3 0.881 4.841 3.960 -0.000 0.000 0.278 415 G C 0.343 175.254 174.900 0.019 0.000 1.353 415 G CA 0.578 45.691 45.100 0.022 0.000 1.043 415 G HN 1.779 nan 8.290 nan 0.000 0.523 416 S N -1.537 114.171 115.700 0.015 0.000 2.579 416 S HA 0.099 4.569 4.470 -0.000 0.000 0.275 416 S C 1.794 176.400 174.600 0.011 0.000 1.345 416 S CA -0.108 58.099 58.200 0.012 0.000 1.031 416 S CB 0.529 63.735 63.200 0.011 0.000 0.892 416 S HN 0.649 nan 8.310 nan 0.000 0.529 417 R N 1.246 121.752 120.500 0.010 0.000 2.307 417 R HA 0.034 4.374 4.340 -0.000 0.000 0.199 417 R C 1.441 177.745 176.300 0.007 0.000 1.000 417 R CA 1.181 57.286 56.100 0.008 0.000 1.023 417 R CB -0.977 29.328 30.300 0.008 0.000 0.908 417 R HN 0.661 nan 8.270 nan 0.000 0.473 418 T N -2.733 111.825 114.554 0.007 0.000 3.129 418 T HA -0.019 4.331 4.350 -0.000 0.000 0.251 418 T C 0.309 175.013 174.700 0.006 0.000 1.117 418 T CA 0.114 62.218 62.100 0.006 0.000 1.034 418 T CB 0.177 69.049 68.868 0.006 0.000 0.968 418 T HN 0.102 nan 8.240 nan 0.000 0.526 419 D N 2.007 122.411 120.400 0.006 0.000 2.795 419 D HA 0.281 4.921 4.640 -0.000 0.000 0.335 419 D C -1.388 174.913 176.300 0.003 0.000 1.262 419 D CA -2.451 51.552 54.000 0.005 0.000 0.885 419 D CB 1.224 42.028 40.800 0.006 0.000 1.047 419 D HN 0.087 nan 8.370 nan 0.000 0.500 420 P HA -0.198 nan 4.420 nan 0.000 0.216 420 P C 1.228 178.526 177.300 -0.003 0.000 1.150 420 P CA 0.925 64.025 63.100 -0.000 0.000 0.837 420 P CB 0.643 32.343 31.700 0.000 0.000 0.786 421 K N -0.470 119.929 120.400 -0.002 0.000 2.009 421 K HA -0.079 4.241 4.320 -0.000 0.000 0.210 421 K C 2.289 178.886 176.600 -0.005 0.000 1.049 421 K CA 2.034 58.319 56.287 -0.003 0.000 0.929 421 K CB -0.805 31.694 32.500 -0.001 0.000 0.714 421 K HN 0.135 nan 8.250 nan 0.000 0.440 422 T N 1.453 116.005 114.554 -0.004 0.000 2.821 422 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 422 T C 1.509 176.203 174.700 -0.010 0.000 1.046 422 T CA 1.024 63.120 62.100 -0.006 0.000 1.139 422 T CB -0.200 68.666 68.868 -0.003 0.000 0.871 422 T HN 0.195 nan 8.240 nan 0.000 0.454 423 N N 1.111 119.806 118.700 -0.008 0.000 2.223 423 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 423 N C 1.961 177.458 175.510 -0.022 0.000 1.016 423 N CA 1.052 54.095 53.050 -0.012 0.000 0.863 423 N CB -0.269 38.215 38.487 -0.006 0.000 0.983 423 N HN 0.462 nan 8.380 nan 0.000 0.429 424 E N 1.529 121.718 120.200 -0.018 0.000 2.047 424 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 424 E C 1.057 177.642 176.600 -0.025 0.000 0.987 424 E CA 1.367 57.755 56.400 -0.021 0.000 0.799 424 E CB -0.204 29.488 29.700 -0.014 0.000 0.752 424 E HN 0.148 nan 8.360 nan 0.000 0.449 425 D N -0.280 120.108 120.400 -0.020 0.000 2.117 425 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 425 D C 1.840 178.123 176.300 -0.029 0.000 0.987 425 D CA 1.200 55.188 54.000 -0.021 0.000 0.829 425 D CB -0.179 40.612 40.800 -0.016 0.000 0.961 425 D HN 0.268 nan 8.370 nan 0.000 0.460 426 M N 0.327 119.907 119.600 -0.033 0.000 2.132 426 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 426 M C 2.350 178.609 176.300 -0.069 0.000 1.065 426 M CA 0.747 56.021 55.300 -0.044 0.000 1.122 426 M CB -1.106 31.471 32.600 -0.038 0.000 1.365 426 M HN -0.050 nan 8.290 nan 0.000 0.411 427 S N 0.821 116.478 115.700 -0.072 0.000 2.353 427 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 427 S C 1.994 176.547 174.600 -0.078 0.000 1.035 427 S CA 1.063 59.207 58.200 -0.093 0.000 1.025 427 S CB -0.290 62.868 63.200 -0.070 0.000 0.902 427 S HN 0.483 nan 8.310 nan 0.000 0.440 428 L N 0.919 122.110 121.223 -0.053 0.000 2.083 428 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 428 L C 2.446 179.293 176.870 -0.038 0.000 1.083 428 L CA 1.713 56.528 54.840 -0.041 0.000 0.752 428 L CB -0.661 41.381 42.059 -0.028 0.000 0.899 428 L HN 0.384 nan 8.230 nan 0.000 0.433 429 S N -0.067 115.611 115.700 -0.037 0.000 2.368 429 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 429 S C 1.750 176.330 174.600 -0.033 0.000 1.029 429 S CA 0.812 58.996 58.200 -0.027 0.000 0.988 429 S CB -0.198 62.988 63.200 -0.023 0.000 0.838 429 S HN 0.226 nan 8.310 nan 0.000 0.462 430 L N 1.066 122.252 121.223 -0.062 0.000 2.191 430 L HA 0.123 4.463 4.340 -0.000 0.000 0.212 430 L C 1.452 178.286 176.870 -0.060 0.000 1.103 430 L CA 1.493 56.286 54.840 -0.078 0.000 0.769 430 L CB -1.813 40.150 42.059 -0.160 0.000 0.908 430 L HN 0.497 nan 8.230 nan 0.000 0.438 431 G N -0.770 107.995 108.800 -0.059 0.000 2.756 431 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.678 431 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.678 431 G C -0.354 174.501 174.900 -0.074 0.000 1.349 431 G CA -0.496 44.576 45.100 -0.046 0.000 0.847 431 G HN 0.208 nan 8.290 nan 0.000 0.548 432 E N -0.421 119.745 120.200 -0.058 0.000 2.281 432 E HA 0.690 5.040 4.350 -0.000 0.000 0.257 432 E C 0.159 176.743 176.600 -0.026 0.000 0.971 432 E CA -0.586 55.767 56.400 -0.079 0.000 0.839 432 E CB 1.624 31.299 29.700 -0.043 0.000 1.238 432 E HN 0.848 nan 8.360 nan 0.000 0.412 433 H N -1.637 117.333 119.070 -0.166 0.000 2.980 433 H HA 0.515 5.071 4.556 -0.000 0.000 0.367 433 H C -1.228 173.882 175.328 -0.364 0.000 1.206 433 H CA -1.014 54.870 56.048 -0.273 0.000 1.126 433 H CB 2.012 31.609 29.762 -0.274 0.000 1.838 433 H HN 0.367 nan 8.280 nan 0.000 0.552 434 E N 2.415 122.337 120.200 -0.463 0.000 2.129 434 E HA 0.435 4.785 4.350 -0.000 0.000 0.268 434 E C -1.521 174.625 176.600 -0.757 0.000 0.900 434 E CA -0.803 55.316 56.400 -0.468 0.000 0.755 434 E CB 2.061 31.568 29.700 -0.323 0.000 1.117 434 E HN 0.399 nan 8.360 nan 0.000 0.410 435 V N 3.557 123.050 119.914 -0.702 0.000 3.074 435 V HA 0.342 4.462 4.120 -0.000 0.000 0.314 435 V C -0.803 175.094 176.094 -0.328 0.000 1.117 435 V CA -0.723 61.139 62.300 -0.729 0.000 1.014 435 V CB 2.277 33.348 31.823 -1.253 0.000 1.057 435 V HN 0.705 nan 8.190 nan 0.000 0.438 436 E N 2.401 122.499 120.200 -0.170 0.000 2.145 436 E HA 0.488 4.837 4.350 -0.000 0.000 0.262 436 E C -0.601 176.040 176.600 0.068 0.000 0.883 436 E CA -0.412 55.966 56.400 -0.036 0.000 0.748 436 E CB 1.043 30.737 29.700 -0.011 0.000 1.140 436 E HN 0.475 nan 8.360 nan 0.000 0.417 437 R N 2.170 122.707 120.500 0.063 0.000 2.893 437 R HA 0.434 4.774 4.340 -0.000 0.000 0.245 437 R C -0.624 175.718 176.300 0.069 0.000 1.192 437 R CA -0.841 55.323 56.100 0.107 0.000 1.077 437 R CB 0.938 31.313 30.300 0.125 0.000 1.253 437 R HN 0.453 nan 8.270 nan 0.000 0.505 438 D N 0.218 120.660 120.400 0.070 0.000 2.592 438 D HA 0.334 4.974 4.640 -0.000 0.000 0.259 438 D C 0.160 176.484 176.300 0.041 0.000 1.144 438 D CA -0.595 53.434 54.000 0.048 0.000 1.080 438 D CB 0.499 41.325 40.800 0.044 0.000 1.225 438 D HN 0.205 nan 8.370 nan 0.000 0.619 454 L N 1.129 122.360 121.223 0.013 0.000 2.456 454 L HA 0.254 4.594 4.340 -0.000 0.000 0.291 454 L C 0.454 177.329 176.870 0.008 0.000 1.299 454 L CA 1.395 56.243 54.840 0.014 0.000 0.822 454 L CB -0.217 41.849 42.059 0.012 0.000 1.070 454 L HN 0.841 nan 8.230 nan 0.000 0.576 455 E N -0.544 119.660 120.200 0.006 0.000 2.335 455 E HA 0.475 4.824 4.350 -0.000 0.000 0.280 455 E C -1.548 175.040 176.600 -0.020 0.000 0.918 455 E CA -1.152 55.246 56.400 -0.003 0.000 0.765 455 E CB 1.368 31.073 29.700 0.007 0.000 1.218 455 E HN 0.226 nan 8.360 nan 0.000 0.425 456 R N 1.818 122.296 120.500 -0.036 0.000 2.312 456 R HA 0.625 4.965 4.340 -0.000 0.000 0.311 456 R C -0.784 175.476 176.300 -0.067 0.000 1.004 456 R CA -1.145 54.914 56.100 -0.068 0.000 0.902 456 R CB 1.185 31.442 30.300 -0.073 0.000 1.073 456 R HN 0.455 nan 8.270 nan 0.000 0.457 457 V N 3.334 123.189 119.914 -0.098 0.000 2.709 457 V HA 0.477 4.597 4.120 -0.000 0.000 0.308 457 V C 0.038 176.072 176.094 -0.100 0.000 1.062 457 V CA -0.909 61.349 62.300 -0.069 0.000 0.901 457 V CB 2.680 34.489 31.823 -0.024 0.000 1.003 457 V HN 0.580 nan 8.190 nan 0.000 0.425 458 R N 3.491 123.961 120.500 -0.050 0.000 2.343 458 R HA 0.653 4.993 4.340 -0.000 0.000 0.320 458 R C -0.700 175.613 176.300 0.022 0.000 0.956 458 R CA -0.327 55.752 56.100 -0.034 0.000 0.836 458 R CB 1.322 31.595 30.300 -0.044 0.000 1.151 458 R HN 0.979 nan 8.270 nan 0.000 0.450 459 E N 3.068 123.316 120.200 0.079 0.000 2.430 459 E HA 0.408 4.758 4.350 -0.000 0.000 0.279 459 E C -1.043 175.526 176.600 -0.051 0.000 1.003 459 E CA -1.264 55.167 56.400 0.052 0.000 0.801 459 E CB 1.201 30.980 29.700 0.132 0.000 1.313 459 E HN 0.142 nan 8.360 nan 0.000 0.459 460 R N 1.001 121.473 120.500 -0.047 0.000 2.442 460 R HA 0.124 4.464 4.340 -0.000 0.000 0.291 460 R C 0.942 177.157 176.300 -0.142 0.000 1.069 460 R CA -0.135 55.907 56.100 -0.096 0.000 1.022 460 R CB 0.889 31.159 30.300 -0.051 0.000 0.976 460 R HN 0.513 nan 8.270 nan 0.000 0.443 461 V N 2.675 122.433 119.914 -0.260 0.000 2.407 461 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 461 V C 0.983 177.103 176.094 0.043 0.000 1.055 461 V CA 1.427 63.585 62.300 -0.236 0.000 1.049 461 V CB -0.041 31.646 31.823 -0.227 0.000 0.662 461 V HN 0.399 nan 8.190 nan 0.000 0.455 462 V N 0.637 120.495 119.914 -0.093 0.000 2.525 462 V HA 0.378 4.498 4.120 -0.000 0.000 0.299 462 V C -0.216 175.807 176.094 -0.118 0.000 1.034 462 V CA -0.528 61.675 62.300 -0.161 0.000 0.863 462 V CB 1.731 33.239 31.823 -0.524 0.000 0.999 462 V HN 0.228 nan 8.190 nan 0.000 0.423 463 M N 5.273 124.839 119.600 -0.057 0.000 2.240 463 M HA 0.239 4.719 4.480 -0.000 0.000 0.333 463 M C -1.430 174.844 176.300 -0.043 0.000 1.110 463 M CA -1.269 54.009 55.300 -0.036 0.000 1.173 463 M CB 1.173 33.767 32.600 -0.010 0.000 1.458 463 M HN 0.331 nan 8.290 nan 0.000 0.458 464 P HA -0.143 nan 4.420 nan 0.000 0.216 464 P C 0.786 178.080 177.300 -0.009 0.000 1.150 464 P CA 1.561 64.647 63.100 -0.024 0.000 0.837 464 P CB 0.030 31.720 31.700 -0.017 0.000 0.786 465 A N -0.125 122.692 122.820 -0.004 0.000 1.969 465 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 465 A C 2.108 179.703 177.584 0.018 0.000 1.169 465 A CA 1.438 53.479 52.037 0.006 0.000 0.635 465 A CB -1.049 17.953 19.000 0.004 0.000 0.810 465 A HN 0.182 nan 8.150 nan 0.000 0.445 466 E N -0.287 119.925 120.200 0.020 0.000 2.110 466 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 466 E C 1.815 178.471 176.600 0.094 0.000 0.988 466 E CA 1.230 57.664 56.400 0.057 0.000 0.804 466 E CB -0.258 29.477 29.700 0.059 0.000 0.745 466 E HN 0.729 nan 8.360 nan 0.000 0.458 467 I N 0.868 121.471 120.570 0.055 0.000 2.406 467 I HA -0.147 4.023 4.170 -0.000 0.000 0.249 467 I C 2.476 178.629 176.117 0.060 0.000 1.122 467 I CA 0.625 61.972 61.300 0.078 0.000 1.431 467 I CB -0.213 37.799 38.000 0.020 0.000 1.087 467 I HN 0.018 nan 8.210 nan 0.000 0.424 468 A N 0.546 123.387 122.820 0.035 0.000 2.067 468 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 468 A C 1.775 179.377 177.584 0.030 0.000 1.158 468 A CA 1.316 53.369 52.037 0.027 0.000 0.661 468 A CB -0.395 18.615 19.000 0.016 0.000 0.801 468 A HN 0.414 nan 8.150 nan 0.000 0.452 469 N N -0.463 118.259 118.700 0.037 0.000 2.203 469 N HA 0.205 4.945 4.740 -0.000 0.000 0.207 469 N C -0.217 175.315 175.510 0.038 0.000 1.130 469 N CA -0.062 53.007 53.050 0.032 0.000 0.861 469 N CB 0.292 38.795 38.487 0.027 0.000 1.005 469 N HN 0.389 nan 8.380 nan 0.000 0.507 470 L N 3.023 124.279 121.223 0.055 0.000 2.485 470 L HA 0.122 4.462 4.340 -0.000 0.000 0.275 470 L C -1.568 175.316 176.870 0.023 0.000 1.207 470 L CA -0.904 53.965 54.840 0.049 0.000 0.855 470 L CB 0.348 42.452 42.059 0.075 0.000 1.114 470 L HN -0.049 nan 8.230 nan 0.000 0.485 471 P HA 0.174 nan 4.420 nan 0.000 0.278 471 P C -1.098 176.202 177.300 0.000 0.000 1.266 471 P CA -0.720 62.382 63.100 0.002 0.000 0.807 471 P CB 0.812 32.508 31.700 -0.006 0.000 1.094 472 D N 0.190 120.591 120.400 0.001 0.000 2.361 472 D HA 0.086 4.726 4.640 -0.000 0.000 0.239 472 D C 1.075 177.374 176.300 -0.003 0.000 1.200 472 D CA 0.062 54.063 54.000 0.003 0.000 0.915 472 D CB 0.008 40.810 40.800 0.004 0.000 1.170 472 D HN 0.406 nan 8.370 nan 0.000 0.444 473 L N -0.706 120.517 121.223 0.001 0.000 3.839 473 L HA -0.248 4.092 4.340 -0.000 0.000 0.416 473 L C -0.276 176.584 176.870 -0.017 0.000 1.195 473 L CA 0.604 55.443 54.840 -0.001 0.000 0.946 473 L CB -2.208 39.852 42.059 0.001 0.000 1.891 473 L HN 0.301 nan 8.230 nan 0.000 0.963 474 T N -0.575 113.962 114.554 -0.028 0.000 2.881 474 T HA 0.817 5.167 4.350 -0.000 0.000 0.290 474 T C -0.029 174.622 174.700 -0.082 0.000 1.000 474 T CA 0.078 62.138 62.100 -0.067 0.000 0.978 474 T CB 2.256 71.079 68.868 -0.076 0.000 0.997 474 T HN 0.396 nan 8.240 nan 0.000 0.443 475 A N 2.366 125.108 122.820 -0.130 0.000 2.566 475 A HA 0.815 5.135 4.320 -0.000 0.000 0.292 475 A C -2.062 175.393 177.584 -0.215 0.000 1.112 475 A CA -0.841 51.132 52.037 -0.106 0.000 0.707 475 A CB 1.211 20.194 19.000 -0.028 0.000 1.302 475 A HN 0.779 nan 8.150 nan 0.000 0.409 476 Y N 0.341 120.627 120.300 -0.024 0.000 2.335 476 Y HA 0.485 5.035 4.550 -0.000 0.000 0.339 476 Y C 0.045 175.899 175.900 -0.077 0.000 0.987 476 Y CA -0.256 57.825 58.100 -0.032 0.000 1.140 476 Y CB 1.930 40.380 38.460 -0.018 0.000 1.173 476 Y HN 0.362 nan 8.280 nan 0.000 0.486 477 V N 3.283 123.201 119.914 0.007 0.000 2.370 477 V HA 0.591 4.711 4.120 -0.000 0.000 0.283 477 V C 0.259 176.238 176.094 -0.192 0.000 1.023 477 V CA -0.611 61.581 62.300 -0.180 0.000 0.857 477 V CB 1.367 33.005 31.823 -0.308 0.000 0.985 477 V HN 0.935 nan 8.190 nan 0.000 0.443 478 G N 4.578 113.251 108.800 -0.212 0.000 3.378 478 G HA2 0.530 4.490 3.960 -0.000 0.000 0.332 478 G HA3 0.530 4.490 3.960 -0.000 0.000 0.332 478 G C -0.606 174.248 174.900 -0.076 0.000 1.490 478 G CA -0.305 44.737 45.100 -0.097 0.000 1.068 478 G HN 0.364 nan 8.290 nan 0.000 0.492 479 F N 1.674 121.664 119.950 0.067 0.000 2.539 479 F HA 0.431 4.958 4.527 -0.000 0.000 0.340 479 F C 1.358 177.187 175.800 0.048 0.000 1.185 479 F CA 0.104 58.140 58.000 0.060 0.000 1.333 479 F CB 0.816 39.847 39.000 0.053 0.000 1.152 479 F HN 0.526 nan 8.300 nan 0.000 0.602 480 A N 1.491 124.479 122.820 0.279 0.000 2.492 480 A HA 0.482 4.802 4.320 -0.000 0.000 0.236 480 A C 0.833 178.485 177.584 0.113 0.000 1.078 480 A CA 0.385 52.510 52.037 0.147 0.000 0.773 480 A CB -0.813 18.247 19.000 0.101 0.000 1.023 480 A HN 1.678 nan 8.150 nan 0.000 0.504 481 G N 0.546 109.389 108.800 0.073 0.000 2.632 481 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.224 481 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.224 481 G C -0.034 174.902 174.900 0.059 0.000 1.341 481 G CA 0.211 45.343 45.100 0.053 0.000 0.880 481 G HN 1.700 nan 8.290 nan 0.000 0.566 482 N N 1.599 120.326 118.700 0.046 0.000 2.968 482 N HA 0.384 5.124 4.740 -0.000 0.000 0.271 482 N C 0.299 175.839 175.510 0.050 0.000 1.174 482 N CA 0.022 53.099 53.050 0.045 0.000 1.096 482 N CB -0.200 38.306 38.487 0.032 0.000 1.403 482 N HN 0.623 nan 8.380 nan 0.000 0.522 483 R N 1.757 122.300 120.500 0.071 0.000 2.771 483 R HA 0.558 4.898 4.340 -0.000 0.000 0.274 483 R C -2.676 173.669 176.300 0.075 0.000 0.987 483 R CA -1.600 54.550 56.100 0.083 0.000 0.908 483 R CB 1.129 31.517 30.300 0.146 0.000 1.213 483 R HN 0.339 nan 8.270 nan 0.000 0.468 484 P HA 0.334 nan 4.420 nan 0.000 0.279 484 P C -0.053 177.295 177.300 0.080 0.000 1.252 484 P CA -0.539 62.589 63.100 0.047 0.000 0.811 484 P CB 0.878 32.587 31.700 0.015 0.000 1.035 485 I N -1.774 118.844 120.570 0.081 0.000 2.934 485 I HA 0.823 4.993 4.170 -0.000 0.000 0.315 485 I C -0.522 175.667 176.117 0.119 0.000 0.997 485 I CA -1.172 60.183 61.300 0.092 0.000 1.184 485 I CB 1.504 39.565 38.000 0.101 0.000 1.400 485 I HN 0.383 nan 8.210 nan 0.000 0.549 486 A N 2.872 125.763 122.820 0.118 0.000 2.549 486 A HA 0.527 4.847 4.320 -0.000 0.000 0.297 486 A C -1.118 176.482 177.584 0.028 0.000 1.061 486 A CA -0.856 51.238 52.037 0.094 0.000 0.690 486 A CB 1.617 20.654 19.000 0.061 0.000 1.287 486 A HN 0.784 nan 8.150 nan 0.000 0.402 487 K N 1.659 122.024 120.400 -0.058 0.000 2.248 487 K HA 0.617 4.937 4.320 -0.000 0.000 0.281 487 K C -1.312 175.181 176.600 -0.179 0.000 1.054 487 K CA -0.182 55.908 56.287 -0.329 0.000 0.903 487 K CB 0.833 33.095 32.500 -0.397 0.000 1.077 487 K HN 0.480 nan 8.250 nan 0.000 0.474 488 V N 6.120 125.928 119.914 -0.177 0.000 2.962 488 V HA 0.517 4.637 4.120 -0.000 0.000 0.313 488 V C -2.376 173.667 176.094 -0.086 0.000 1.099 488 V CA -1.810 60.437 62.300 -0.090 0.000 0.971 488 V CB 2.030 33.828 31.823 -0.041 0.000 1.028 488 V HN 0.842 nan 8.190 nan 0.000 0.430 489 P HA 0.460 nan 4.420 nan 0.000 0.292 489 P C -1.261 176.032 177.300 -0.012 0.000 1.283 489 P CA -0.507 62.571 63.100 -0.036 0.000 0.835 489 P CB 1.780 33.463 31.700 -0.028 0.000 1.017 490 L N 2.748 123.968 121.223 -0.005 0.000 2.275 490 L HA 0.296 4.636 4.340 -0.000 0.000 0.288 490 L C 1.118 178.000 176.870 0.019 0.000 1.046 490 L CA -0.502 54.348 54.840 0.017 0.000 0.805 490 L CB 0.812 42.885 42.059 0.023 0.000 1.193 490 L HN 0.478 nan 8.230 nan 0.000 0.426 491 E N 5.006 125.223 120.200 0.029 0.000 2.197 491 E HA 0.313 4.663 4.350 -0.000 0.000 0.281 491 E C -0.690 175.925 176.600 0.025 0.000 0.995 491 E CA -0.674 55.737 56.400 0.018 0.000 0.808 491 E CB 1.379 31.087 29.700 0.013 0.000 1.093 491 E HN 0.511 nan 8.360 nan 0.000 0.394 492 I N 4.172 124.748 120.570 0.009 0.000 2.278 492 I HA 0.054 4.224 4.170 -0.000 0.000 0.300 492 I C 0.625 176.718 176.117 -0.040 0.000 1.174 492 I CA -0.155 61.152 61.300 0.012 0.000 1.347 492 I CB -0.225 37.777 38.000 0.003 0.000 1.473 492 I HN 0.509 nan 8.210 nan 0.000 0.595 493 K N 4.954 125.318 120.400 -0.061 0.000 2.326 493 K HA 0.155 4.475 4.320 -0.000 0.000 0.275 493 K C -0.179 176.142 176.600 -0.465 0.000 1.018 493 K CA -0.499 55.616 56.287 -0.287 0.000 0.962 493 K CB 0.761 33.030 32.500 -0.385 0.000 0.953 493 K HN 0.378 nan 8.250 nan 0.000 0.475 494 Q N 3.140 122.617 119.800 -0.540 0.000 2.257 494 Q HA 0.296 4.636 4.340 -0.000 0.000 0.255 494 Q C -1.126 174.464 176.000 -0.683 0.000 0.920 494 Q CA -0.207 55.338 55.803 -0.431 0.000 0.927 494 Q CB 1.064 29.667 28.738 -0.226 0.000 1.229 494 Q HN 0.411 nan 8.270 nan 0.000 0.433 495 F N 0.418 120.257 119.950 -0.184 0.000 2.482 495 F HA 0.561 5.088 4.527 -0.000 0.000 0.331 495 F C 0.469 176.140 175.800 -0.215 0.000 1.115 495 F CA -1.146 56.707 58.000 -0.245 0.000 0.955 495 F CB 1.409 40.179 39.000 -0.384 0.000 1.136 495 F HN 0.472 nan 8.300 nan 0.000 0.452 496 A N 2.624 125.429 122.820 -0.025 0.000 2.425 496 A HA 0.239 4.559 4.320 -0.000 0.000 0.249 496 A C 0.074 177.613 177.584 -0.075 0.000 1.084 496 A CA -0.589 51.418 52.037 -0.050 0.000 0.781 496 A CB -0.057 18.918 19.000 -0.042 0.000 1.019 496 A HN 0.895 nan 8.150 nan 0.000 0.490 497 N N 1.443 120.095 118.700 -0.080 0.000 2.400 497 N HA 0.090 4.830 4.740 -0.000 0.000 0.267 497 N C 0.785 176.244 175.510 -0.085 0.000 1.208 497 N CA -0.123 52.867 53.050 -0.100 0.000 0.951 497 N CB 0.438 38.874 38.487 -0.085 0.000 1.227 497 N HN 0.688 nan 8.380 nan 0.000 0.488 498 R N 2.270 122.713 120.500 -0.096 0.000 2.721 498 R HA 0.192 4.532 4.340 -0.000 0.000 0.296 498 R C -0.450 175.802 176.300 -0.080 0.000 1.174 498 R CA -0.017 56.044 56.100 -0.066 0.000 1.129 498 R CB 0.153 30.430 30.300 -0.038 0.000 1.316 498 R HN 0.549 nan 8.270 nan 0.000 0.571 499 Q N 0.536 120.279 119.800 -0.096 0.000 2.896 499 Q HA 0.149 4.489 4.340 -0.000 0.000 0.241 499 Q C -3.014 172.925 176.000 -0.101 0.000 0.999 499 Q CA -1.393 54.349 55.803 -0.102 0.000 0.912 499 Q CB 2.273 30.928 28.738 -0.139 0.000 2.012 499 Q HN 0.164 nan 8.270 nan 0.000 0.489 500 P HA 0.090 nan 4.420 nan 0.000 0.276 500 P C -0.164 177.104 177.300 -0.053 0.000 1.235 500 P CA 0.256 63.319 63.100 -0.062 0.000 0.772 500 P CB 1.241 32.907 31.700 -0.056 0.000 0.871 501 A N 4.046 126.848 122.820 -0.031 0.000 1.940 501 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 501 A C 0.692 178.343 177.584 0.111 0.000 1.176 501 A CA 1.428 53.459 52.037 -0.010 0.000 0.631 501 A CB -0.685 18.301 19.000 -0.023 0.000 0.814 501 A HN 0.587 nan 8.150 nan 0.000 0.446 502 F N -2.305 117.604 119.950 -0.068 0.000 2.613 502 F HA 0.561 5.087 4.527 -0.000 0.000 0.310 502 F C -1.148 174.634 175.800 -0.030 0.000 1.085 502 F CA -1.626 56.351 58.000 -0.039 0.000 0.945 502 F CB 2.123 41.106 39.000 -0.028 0.000 1.298 502 F HN -0.240 nan 8.300 nan 0.000 0.455 503 V N 4.111 123.600 119.914 -0.708 0.000 2.564 503 V HA 0.182 4.302 4.120 -0.000 0.000 0.259 503 V C -0.531 175.082 176.094 -0.802 0.000 0.936 503 V CA -0.685 61.267 62.300 -0.581 0.000 0.867 503 V CB 0.961 32.620 31.823 -0.275 0.000 1.076 503 V HN 0.757 nan 8.190 nan 0.000 0.476 504 E N 2.196 121.764 120.200 -1.053 0.000 2.265 504 E HA 0.522 4.872 4.350 -0.000 0.000 0.272 504 E C 0.534 176.995 176.600 -0.231 0.000 1.067 504 E CA 0.478 56.518 56.400 -0.600 0.000 0.900 504 E CB 0.845 30.393 29.700 -0.253 0.000 1.017 504 E HN 0.793 nan 8.360 nan 0.000 0.431 505 G N 0.000 108.719 108.800 -0.135 0.000 5.446 505 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 505 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 505 G CA 0.000 45.057 45.100 -0.071 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925