REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1e9s_1_J DATA FIRST_RESID 72 DATA SEQUENCE NSVGQGEFGG APFKRFLRGT RIVSGGKLKR MTREKAKQVT VAGVPMPRDA DATA SEQUENCE EPRHLLVNGA TGTGKSVLLR ELAYTGLLRG DRMVIVDPNG DMLSKFGRDK DATA SEQUENCE DIILNPYDQR TKGWSFFNEI RNDYDWQRYA LSVVPRGKTD EAEEWASYGR DATA SEQUENCE LLLRETAKKL ALIGTPSMRE LFHWTTIATF DDLRGFLEGT LAESLFAGSN DATA SEQUENCE EASKALTSAR FVLSDKLPEH VTMPDGDFSI RSWLEDPNGG NLFITWREDM DATA SEQUENCE GPALRPLISA WVDVVCTSIL SLPEEPKRRL WLFIDELASL EKLASLADAL DATA SEQUENCE TKGRKAGLRV VAGLQSTSQL DDVYGVKEAQ TLRASFRSLV VLGGSRTDPK DATA SEQUENCE TNEDMSLSLG EHEVERDRYS XXXXXXXXXG RALERVRERV VMPAEIANLP DATA SEQUENCE DLTAYVGFAG NRPIAKVPLE IKQFANRQPA FVE 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 72 N HA 0.000 nan 4.740 nan 0.000 0.220 72 N C 0.000 175.484 175.510 -0.043 0.000 1.280 72 N CA 0.000 53.059 53.050 0.014 0.000 0.885 72 N CB 0.000 38.528 38.487 0.069 0.000 1.341 73 S N -0.396 115.257 115.700 -0.078 0.000 2.574 73 S HA 0.254 4.696 4.470 -0.045 0.000 0.242 73 S C 0.470 174.967 174.600 -0.172 0.000 0.982 73 S CA -0.262 57.883 58.200 -0.092 0.000 0.977 73 S CB 0.829 63.998 63.200 -0.052 0.000 0.814 73 S HN 0.192 nan 8.310 nan 0.000 0.464 74 V N 0.690 120.391 119.914 -0.356 0.000 2.513 74 V HA 0.761 4.854 4.120 -0.045 0.000 0.299 74 V C 1.164 176.831 176.094 -0.712 0.000 1.035 74 V CA -0.146 61.810 62.300 -0.573 0.000 0.889 74 V CB 0.881 32.205 31.823 -0.831 0.000 0.988 74 V HN 0.444 nan 8.190 nan 0.000 0.440 75 G N 2.618 111.233 108.800 -0.308 0.000 2.217 75 G HA2 -0.281 3.651 3.960 -0.045 0.000 0.246 75 G HA3 -0.281 3.651 3.960 -0.045 0.000 0.246 75 G C 0.964 175.927 174.900 0.105 0.000 0.990 75 G CA 0.777 45.894 45.100 0.028 0.000 0.627 75 G HN 0.968 nan 8.290 nan 0.000 0.522 76 Q N 0.534 120.341 119.800 0.010 0.000 1.799 76 Q HA -0.254 4.058 4.340 -0.045 0.000 0.504 76 Q C 1.929 177.959 176.000 0.050 0.000 1.005 76 Q CA 2.790 58.607 55.803 0.024 0.000 0.861 76 Q CB -1.557 27.180 28.738 -0.001 0.000 0.931 76 Q HN 1.555 nan 8.270 nan 0.000 0.432 77 G N 0.418 109.241 108.800 0.039 0.000 3.474 77 G HA2 0.257 4.190 3.960 -0.045 0.000 0.269 77 G HA3 0.257 4.190 3.960 -0.045 0.000 0.269 77 G C 0.407 175.346 174.900 0.066 0.000 1.339 77 G CA 0.322 45.447 45.100 0.041 0.000 1.258 77 G HN 0.594 nan 8.290 nan 0.000 0.560 78 E N -0.763 119.505 120.200 0.114 0.000 2.870 78 E HA 0.183 4.506 4.350 -0.045 0.000 0.185 78 E C -0.220 176.538 176.600 0.264 0.000 1.084 78 E CA -0.742 55.755 56.400 0.161 0.000 1.246 78 E CB 0.421 30.214 29.700 0.155 0.000 1.382 78 E HN 0.212 nan 8.360 nan 0.000 0.492 79 F N 2.054 122.097 119.950 0.156 0.000 2.456 79 F HA 0.364 4.863 4.527 -0.047 0.000 0.358 79 F C 1.169 177.069 175.800 0.166 0.000 1.095 79 F CA -0.414 57.716 58.000 0.216 0.000 1.216 79 F CB 1.363 40.592 39.000 0.383 0.000 1.125 79 F HN 0.071 nan 8.300 nan 0.000 0.549 80 G N 3.998 112.579 108.800 -0.365 0.000 2.712 80 G HA2 0.204 4.137 3.960 -0.045 0.000 0.212 80 G HA3 0.204 4.137 3.960 -0.045 0.000 0.212 80 G C 0.744 175.282 174.900 -0.603 0.000 1.142 80 G CA 0.387 45.267 45.100 -0.367 0.000 0.789 80 G HN 0.982 nan 8.290 nan 0.000 0.535 81 G N -0.114 107.830 108.800 -1.426 0.000 2.574 81 G HA2 0.535 4.468 3.960 -0.045 0.000 0.248 81 G HA3 0.535 4.468 3.960 -0.045 0.000 0.248 81 G C 0.177 174.877 174.900 -0.333 0.000 1.422 81 G CA 0.047 44.636 45.100 -0.851 0.000 1.051 81 G HN 0.477 nan 8.290 nan 0.000 0.560 82 A N 0.102 122.963 122.820 0.068 0.000 2.425 82 A HA 0.606 4.898 4.320 -0.045 0.000 0.249 82 A C -2.151 175.677 177.584 0.406 0.000 1.084 82 A CA -0.810 51.346 52.037 0.198 0.000 0.781 82 A CB 0.030 19.149 19.000 0.200 0.000 1.019 82 A HN 0.388 nan 8.150 nan 0.000 0.490 83 P HA 0.402 nan 4.420 nan 0.000 0.272 83 P C -0.785 176.655 177.300 0.234 0.000 1.223 83 P CA 0.232 63.443 63.100 0.185 0.000 0.784 83 P CB 0.302 32.030 31.700 0.047 0.000 0.923 84 F N -0.685 119.353 119.950 0.147 0.000 2.620 84 F HA 0.631 5.131 4.527 -0.046 0.000 0.320 84 F C 1.149 176.982 175.800 0.054 0.000 1.069 84 F CA -1.141 56.906 58.000 0.080 0.000 0.953 84 F CB 0.900 39.913 39.000 0.021 0.000 1.322 84 F HN 0.068 nan 8.300 nan 0.000 0.479 85 K N 0.715 121.244 120.400 0.215 0.000 2.044 85 K HA 0.105 4.398 4.320 -0.045 0.000 0.204 85 K C -0.075 176.630 176.600 0.175 0.000 1.049 85 K CA 1.063 57.423 56.287 0.121 0.000 0.945 85 K CB 0.117 32.677 32.500 0.100 0.000 0.724 85 K HN 0.877 nan 8.250 nan 0.000 0.440 86 R N -0.251 120.427 120.500 0.296 0.000 2.574 86 R HA 0.157 4.470 4.340 -0.045 0.000 0.288 86 R C -1.710 174.766 176.300 0.293 0.000 1.004 86 R CA -0.603 55.659 56.100 0.269 0.000 0.895 86 R CB 0.963 31.335 30.300 0.120 0.000 1.191 86 R HN -0.036 nan 8.270 nan 0.000 0.444 87 F N 5.925 125.987 119.950 0.188 0.000 2.424 87 F HA 0.266 4.765 4.527 -0.046 0.000 0.356 87 F C 0.091 175.846 175.800 -0.075 0.000 1.110 87 F CA -0.341 57.637 58.000 -0.036 0.000 1.161 87 F CB 0.781 39.839 39.000 0.098 0.000 1.115 87 F HN 0.542 nan 8.300 nan 0.000 0.507 88 L N 5.058 125.862 121.223 -0.697 0.000 2.185 88 L HA 0.271 4.583 4.340 -0.045 0.000 0.198 88 L C 0.444 177.019 176.870 -0.492 0.000 1.079 88 L CA 0.267 54.842 54.840 -0.441 0.000 0.780 88 L CB -0.255 41.590 42.059 -0.358 0.000 0.955 88 L HN 0.633 nan 8.230 nan 0.000 0.462 89 R N -1.423 118.571 120.500 -0.843 0.000 2.741 89 R HA 0.634 4.947 4.340 -0.045 0.000 0.274 89 R C -0.518 175.555 176.300 -0.379 0.000 1.029 89 R CA -0.299 55.553 56.100 -0.413 0.000 0.880 89 R CB 1.007 31.202 30.300 -0.175 0.000 1.264 89 R HN 0.110 nan 8.270 nan 0.000 0.465 90 G N 0.160 108.976 108.800 0.027 0.000 2.472 90 G HA2 -0.119 3.814 3.960 -0.045 0.000 0.205 90 G HA3 -0.119 3.814 3.960 -0.045 0.000 0.205 90 G C -1.009 174.086 174.900 0.325 0.000 1.270 90 G CA -0.363 44.807 45.100 0.118 0.000 0.974 90 G HN 0.695 nan 8.290 nan 0.000 0.542 91 T N 1.981 116.685 114.554 0.250 0.000 2.814 91 T HA 0.522 4.845 4.350 -0.045 0.000 0.297 91 T C 0.808 175.667 174.700 0.265 0.000 0.956 91 T CA 0.168 62.389 62.100 0.202 0.000 1.123 91 T CB 0.460 69.377 68.868 0.082 0.000 0.902 91 T HN 0.581 nan 8.240 nan 0.000 0.528 92 R N 2.650 123.195 120.500 0.075 0.000 2.349 92 R HA 0.592 4.905 4.340 -0.045 0.000 0.299 92 R C -0.313 175.983 176.300 -0.006 0.000 1.027 92 R CA -0.555 55.454 56.100 -0.151 0.000 0.958 92 R CB 1.194 31.276 30.300 -0.364 0.000 1.047 92 R HN 0.581 nan 8.270 nan 0.000 0.468 93 I N 2.779 123.379 120.570 0.050 0.000 2.530 93 I HA 0.442 4.585 4.170 -0.045 0.000 0.297 93 I C -0.980 175.195 176.117 0.097 0.000 1.011 93 I CA -0.846 60.526 61.300 0.121 0.000 1.107 93 I CB 1.631 39.769 38.000 0.230 0.000 1.285 93 I HN 0.299 nan 8.210 nan 0.000 0.436 94 V N 4.858 124.825 119.914 0.088 0.000 3.158 94 V HA 0.500 4.593 4.120 -0.045 0.000 0.311 94 V C -0.346 175.790 176.094 0.070 0.000 1.181 94 V CA -0.485 61.853 62.300 0.064 0.000 1.054 94 V CB 2.738 34.584 31.823 0.037 0.000 1.085 94 V HN 0.863 nan 8.190 nan 0.000 0.446 95 S N 0.730 116.461 115.700 0.051 0.000 2.580 95 S HA 0.336 4.779 4.470 -0.045 0.000 0.274 95 S C 1.301 175.921 174.600 0.034 0.000 1.329 95 S CA 0.165 58.389 58.200 0.040 0.000 1.036 95 S CB 1.258 64.476 63.200 0.030 0.000 0.919 95 S HN 1.250 nan 8.310 nan 0.000 0.515 96 G N 1.733 110.545 108.800 0.020 0.000 2.469 96 G HA2 -0.101 3.832 3.960 -0.045 0.000 0.219 96 G HA3 -0.101 3.832 3.960 -0.045 0.000 0.219 96 G C 1.322 176.242 174.900 0.033 0.000 1.150 96 G CA 0.674 45.785 45.100 0.019 0.000 0.763 96 G HN 1.006 nan 8.290 nan 0.000 0.561 97 G N 0.356 109.172 108.800 0.026 0.000 2.418 97 G HA2 -0.214 3.719 3.960 -0.045 0.000 0.217 97 G HA3 -0.214 3.719 3.960 -0.045 0.000 0.217 97 G C 1.694 176.613 174.900 0.033 0.000 1.158 97 G CA 1.298 46.415 45.100 0.028 0.000 0.771 97 G HN 0.539 nan 8.290 nan 0.000 0.545 98 K N -0.372 120.047 120.400 0.032 0.000 2.097 98 K HA 0.026 4.319 4.320 -0.045 0.000 0.205 98 K C 2.394 179.021 176.600 0.045 0.000 1.050 98 K CA 0.869 57.175 56.287 0.032 0.000 0.938 98 K CB -0.233 32.282 32.500 0.026 0.000 0.718 98 K HN 0.235 nan 8.250 nan 0.000 0.442 99 L N 1.889 123.148 121.223 0.060 0.000 2.046 99 L HA -0.159 4.153 4.340 -0.045 0.000 0.208 99 L C 1.714 178.646 176.870 0.104 0.000 1.077 99 L CA 1.837 56.731 54.840 0.091 0.000 0.747 99 L CB -0.273 41.850 42.059 0.107 0.000 0.896 99 L HN 0.067 nan 8.230 nan 0.000 0.432 100 K N -0.866 119.588 120.400 0.089 0.000 2.209 100 K HA -0.138 4.154 4.320 -0.045 0.000 0.204 100 K C 2.095 178.730 176.600 0.057 0.000 1.048 100 K CA 1.359 57.696 56.287 0.083 0.000 0.940 100 K CB -0.130 32.411 32.500 0.068 0.000 0.729 100 K HN 0.401 nan 8.250 nan 0.000 0.451 101 R N 0.187 120.715 120.500 0.047 0.000 2.093 101 R HA 0.061 4.374 4.340 -0.045 0.000 0.224 101 R C 2.279 178.597 176.300 0.030 0.000 1.101 101 R CA 1.105 57.225 56.100 0.033 0.000 0.979 101 R CB -0.151 30.165 30.300 0.026 0.000 0.877 101 R HN 0.179 nan 8.270 nan 0.000 0.441 102 M N 0.311 119.934 119.600 0.039 0.000 2.200 102 M HA -0.075 4.378 4.480 -0.045 0.000 0.265 102 M C 2.223 178.540 176.300 0.029 0.000 1.066 102 M CA 1.857 57.178 55.300 0.035 0.000 1.127 102 M CB -0.334 32.293 32.600 0.046 0.000 1.379 102 M HN 0.208 nan 8.290 nan 0.000 0.420 103 T N -1.952 112.625 114.554 0.038 0.000 3.067 103 T HA 0.045 4.367 4.350 -0.045 0.000 0.261 103 T C 0.984 175.670 174.700 -0.023 0.000 1.110 103 T CA -0.179 61.917 62.100 -0.007 0.000 1.113 103 T CB -0.225 68.634 68.868 -0.015 0.000 0.917 103 T HN 0.198 nan 8.240 nan 0.000 0.499 104 R N 1.882 122.385 120.500 0.004 0.000 2.537 104 R HA 0.183 4.495 4.340 -0.045 0.000 0.281 104 R C -0.013 176.282 176.300 -0.008 0.000 0.988 104 R CA 0.377 56.479 56.100 0.002 0.000 1.077 104 R CB 0.164 30.472 30.300 0.014 0.000 0.932 104 R HN 0.567 nan 8.270 nan 0.000 0.409 105 E N 2.434 122.628 120.200 -0.011 0.000 2.393 105 E HA 0.171 4.494 4.350 -0.045 0.000 0.273 105 E C -0.109 176.487 176.600 -0.006 0.000 0.918 105 E CA -0.893 55.499 56.400 -0.013 0.000 0.773 105 E CB 1.223 30.908 29.700 -0.025 0.000 1.275 105 E HN 0.406 nan 8.360 nan 0.000 0.451 106 K N 0.530 120.927 120.400 -0.006 0.000 2.002 106 K HA 0.013 4.306 4.320 -0.045 0.000 0.209 106 K C 0.786 177.384 176.600 -0.003 0.000 1.048 106 K CA 1.137 57.422 56.287 -0.003 0.000 0.930 106 K CB -0.680 31.818 32.500 -0.004 0.000 0.714 106 K HN 0.559 nan 8.250 nan 0.000 0.438 107 A N 2.056 124.872 122.820 -0.006 0.000 2.455 107 A HA -0.020 4.273 4.320 -0.045 0.000 0.244 107 A C -0.195 177.390 177.584 0.001 0.000 1.099 107 A CA 0.124 52.158 52.037 -0.004 0.000 0.786 107 A CB -0.027 18.968 19.000 -0.008 0.000 1.051 107 A HN 0.223 nan 8.150 nan 0.000 0.508 108 K N 0.993 121.396 120.400 0.005 0.000 2.379 108 K HA 0.237 4.530 4.320 -0.045 0.000 0.284 108 K C -0.173 176.436 176.600 0.016 0.000 1.044 108 K CA 0.370 56.663 56.287 0.010 0.000 0.974 108 K CB 0.467 32.974 32.500 0.010 0.000 0.962 108 K HN 0.693 nan 8.250 nan 0.000 0.474 109 Q N 0.919 120.729 119.800 0.017 0.000 2.359 109 Q HA 0.469 4.782 4.340 -0.045 0.000 0.275 109 Q C -0.841 175.182 176.000 0.038 0.000 1.082 109 Q CA -0.945 54.873 55.803 0.025 0.000 0.849 109 Q CB 2.434 31.175 28.738 0.005 0.000 1.377 109 Q HN 0.300 nan 8.270 nan 0.000 0.452 110 V N 0.571 120.523 119.914 0.063 0.000 2.973 110 V HA 0.605 4.698 4.120 -0.045 0.000 0.314 110 V C -0.594 175.539 176.094 0.065 0.000 1.066 110 V CA -0.140 62.194 62.300 0.057 0.000 1.021 110 V CB 2.004 33.897 31.823 0.116 0.000 1.076 110 V HN 0.986 nan 8.190 nan 0.000 0.462 111 T N 1.313 115.911 114.554 0.073 0.000 2.861 111 T HA 0.704 5.027 4.350 -0.045 0.000 0.287 111 T C -1.076 173.715 174.700 0.152 0.000 1.003 111 T CA -0.643 61.528 62.100 0.119 0.000 0.977 111 T CB 1.496 70.434 68.868 0.117 0.000 0.996 111 T HN 0.363 nan 8.240 nan 0.000 0.448 112 V N 2.893 122.946 119.914 0.231 0.000 2.357 112 V HA 0.650 4.743 4.120 -0.045 0.000 0.284 112 V C 0.983 177.177 176.094 0.166 0.000 1.018 112 V CA -0.081 62.354 62.300 0.225 0.000 0.841 112 V CB 0.228 32.256 31.823 0.342 0.000 0.991 112 V HN 1.616 nan 8.190 nan 0.000 0.437 113 A N 4.323 127.209 122.820 0.110 0.000 2.799 113 A HA -0.048 4.245 4.320 -0.045 0.000 0.287 113 A C 1.846 179.477 177.584 0.077 0.000 1.484 113 A CA 1.464 53.544 52.037 0.071 0.000 0.813 113 A CB -1.569 17.449 19.000 0.030 0.000 1.009 113 A HN 2.548 nan 8.150 nan 0.000 0.545 114 G N -3.846 105.015 108.800 0.102 0.000 2.253 114 G HA2 -0.077 3.855 3.960 -0.045 0.000 0.251 114 G HA3 -0.077 3.855 3.960 -0.045 0.000 0.251 114 G C 0.455 175.423 174.900 0.114 0.000 0.998 114 G CA 0.412 45.568 45.100 0.094 0.000 0.621 114 G HN 1.840 nan 8.290 nan 0.000 0.524 115 V N 3.919 123.928 119.914 0.158 0.000 2.461 115 V HA 0.437 4.529 4.120 -0.045 0.000 0.275 115 V C -1.370 174.859 176.094 0.225 0.000 1.047 115 V CA -1.280 61.148 62.300 0.214 0.000 0.955 115 V CB 1.329 33.344 31.823 0.321 0.000 0.988 115 V HN 0.270 nan 8.190 nan 0.000 0.471 116 P HA 0.088 nan 4.420 nan 0.000 0.271 116 P C -0.374 176.866 177.300 -0.100 0.000 1.226 116 P CA -0.237 62.888 63.100 0.041 0.000 0.765 116 P CB 0.676 32.387 31.700 0.019 0.000 0.835 117 M N 6.293 125.798 119.600 -0.157 0.000 2.188 117 M HA 0.273 4.725 4.480 -0.045 0.000 0.354 117 M C -2.345 173.713 176.300 -0.404 0.000 1.342 117 M CA -1.962 53.027 55.300 -0.518 0.000 1.117 117 M CB 0.446 32.948 32.600 -0.164 0.000 1.670 117 M HN 0.108 nan 8.290 nan 0.000 0.466 118 P HA 0.003 nan 4.420 nan 0.000 0.264 118 P C -0.012 177.182 177.300 -0.177 0.000 1.183 118 P CA -0.099 62.833 63.100 -0.280 0.000 0.763 118 P CB 0.478 32.019 31.700 -0.266 0.000 0.807 119 R N 3.188 123.623 120.500 -0.109 0.000 2.094 119 R HA -0.190 4.123 4.340 -0.045 0.000 0.239 119 R C 1.400 177.645 176.300 -0.091 0.000 1.137 119 R CA 2.459 58.513 56.100 -0.077 0.000 0.943 119 R CB -1.393 28.874 30.300 -0.055 0.000 0.850 119 R HN 0.669 nan 8.270 nan 0.000 0.433 120 D N -0.207 120.140 120.400 -0.088 0.000 2.263 120 D HA -0.086 4.527 4.640 -0.045 0.000 0.208 120 D C 1.458 177.696 176.300 -0.103 0.000 0.971 120 D CA 1.147 55.094 54.000 -0.088 0.000 0.867 120 D CB -0.154 40.606 40.800 -0.066 0.000 0.929 120 D HN 0.217 nan 8.370 nan 0.000 0.492 121 A N 0.463 123.220 122.820 -0.105 0.000 2.067 121 A HA -0.090 4.202 4.320 -0.045 0.000 0.217 121 A C 2.000 179.517 177.584 -0.112 0.000 1.156 121 A CA 0.685 52.672 52.037 -0.084 0.000 0.683 121 A CB -0.416 18.545 19.000 -0.065 0.000 0.808 121 A HN 0.203 nan 8.150 nan 0.000 0.455 122 E N 0.212 120.328 120.200 -0.139 0.000 2.049 122 E HA -0.162 4.161 4.350 -0.045 0.000 0.198 122 E C -0.741 175.617 176.600 -0.403 0.000 1.007 122 E CA 1.496 57.767 56.400 -0.216 0.000 0.809 122 E CB -0.847 28.721 29.700 -0.219 0.000 0.749 122 E HN 0.551 nan 8.360 nan 0.000 0.450 123 P HA -0.032 nan 4.420 nan 0.000 0.245 123 P C 0.455 177.320 177.300 -0.725 0.000 1.212 123 P CA 0.713 63.516 63.100 -0.494 0.000 0.774 123 P CB 0.298 31.816 31.700 -0.303 0.000 0.999 124 R N -0.663 119.499 120.500 -0.563 0.000 2.359 124 R HA 0.128 4.441 4.340 -0.045 0.000 0.231 124 R C 0.231 176.295 176.300 -0.393 0.000 0.913 124 R CA -0.370 55.465 56.100 -0.441 0.000 1.075 124 R CB -0.910 29.295 30.300 -0.157 0.000 1.087 124 R HN 0.382 nan 8.270 nan 0.000 0.515 125 H N -0.851 118.186 119.070 -0.055 0.000 4.403 125 H HA -0.226 4.306 4.556 -0.040 0.000 0.255 125 H C -0.651 174.834 175.328 0.263 0.000 0.565 125 H CA 0.454 56.534 56.048 0.054 0.000 0.698 125 H CB -0.618 29.048 29.762 -0.160 0.000 1.053 125 H HN 0.083 nan 8.280 nan 0.000 0.299 126 L N 1.919 123.438 121.223 0.493 0.000 2.365 126 L HA 0.560 4.873 4.340 -0.045 0.000 0.273 126 L C -1.245 175.765 176.870 0.234 0.000 1.000 126 L CA -0.835 54.219 54.840 0.357 0.000 0.819 126 L CB 1.604 43.835 42.059 0.286 0.000 1.284 126 L HN 0.491 nan 8.230 nan 0.000 0.418 127 L N 6.078 127.337 121.223 0.059 0.000 2.319 127 L HA 0.612 4.924 4.340 -0.045 0.000 0.281 127 L C -1.194 175.620 176.870 -0.094 0.000 1.005 127 L CA -0.302 54.401 54.840 -0.229 0.000 0.828 127 L CB 1.709 43.580 42.059 -0.314 0.000 1.227 127 L HN 0.402 nan 8.230 nan 0.000 0.415 128 V N 5.024 124.887 119.914 -0.086 0.000 2.333 128 V HA 0.416 4.509 4.120 -0.045 0.000 0.274 128 V C -0.054 176.016 176.094 -0.039 0.000 1.028 128 V CA -0.628 61.656 62.300 -0.027 0.000 0.851 128 V CB 1.063 32.895 31.823 0.016 0.000 1.000 128 V HN 0.840 nan 8.190 nan 0.000 0.456 129 N N 3.584 122.268 118.700 -0.027 0.000 2.400 129 N HA 0.783 5.496 4.740 -0.045 0.000 0.288 129 N C -0.276 175.236 175.510 0.003 0.000 1.024 129 N CA 0.202 53.239 53.050 -0.021 0.000 0.894 129 N CB 1.834 40.306 38.487 -0.025 0.000 1.173 129 N HN 0.911 nan 8.380 nan 0.000 0.487 130 G N 0.570 109.374 108.800 0.006 0.000 2.442 130 G HA2 0.539 4.472 3.960 -0.045 0.000 0.296 130 G HA3 0.539 4.472 3.960 -0.045 0.000 0.296 130 G C -1.072 173.837 174.900 0.015 0.000 1.564 130 G CA -0.287 44.823 45.100 0.016 0.000 0.828 130 G HN 0.764 nan 8.290 nan 0.000 0.571 131 A N 0.125 122.956 122.820 0.017 0.000 2.281 131 A HA 0.713 5.006 4.320 -0.045 0.000 0.271 131 A C 0.986 178.579 177.584 0.015 0.000 1.196 131 A CA 0.596 52.642 52.037 0.015 0.000 0.807 131 A CB -0.210 18.799 19.000 0.015 0.000 1.138 131 A HN 1.266 nan 8.150 nan 0.000 0.506 132 T N 0.094 114.656 114.554 0.013 0.000 2.884 132 T HA 0.474 4.797 4.350 -0.045 0.000 0.298 132 T C 1.175 175.881 174.700 0.010 0.000 0.998 132 T CA 0.907 63.014 62.100 0.012 0.000 1.124 132 T CB 0.783 69.657 68.868 0.010 0.000 0.931 132 T HN 2.041 nan 8.240 nan 0.000 0.531 133 G N 2.588 111.393 108.800 0.009 0.000 2.179 133 G HA2 -0.313 3.620 3.960 -0.045 0.000 0.257 133 G HA3 -0.313 3.620 3.960 -0.045 0.000 0.257 133 G C 0.725 175.631 174.900 0.009 0.000 1.010 133 G CA 0.480 45.584 45.100 0.008 0.000 0.736 133 G HN 1.004 nan 8.290 nan 0.000 0.513 134 T N -2.680 111.881 114.554 0.013 0.000 3.144 134 T HA 0.470 4.793 4.350 -0.045 0.000 0.249 134 T C 1.944 176.653 174.700 0.014 0.000 1.089 134 T CA 1.164 63.272 62.100 0.013 0.000 0.989 134 T CB 0.605 69.483 68.868 0.017 0.000 0.992 134 T HN 2.084 nan 8.240 nan 0.000 0.540 135 G N 1.526 110.337 108.800 0.018 0.000 2.154 135 G HA2 -0.220 3.713 3.960 -0.045 0.000 0.186 135 G HA3 -0.220 3.713 3.960 -0.045 0.000 0.186 135 G C 0.761 175.681 174.900 0.033 0.000 1.000 135 G CA 0.111 45.225 45.100 0.024 0.000 0.664 135 G HN 0.464 nan 8.290 nan 0.000 0.513 136 K N 0.702 121.121 120.400 0.032 0.000 2.103 136 K HA -0.074 4.219 4.320 -0.045 0.000 0.207 136 K C 2.654 179.283 176.600 0.049 0.000 1.048 136 K CA 1.738 58.050 56.287 0.041 0.000 0.930 136 K CB -0.189 32.334 32.500 0.037 0.000 0.716 136 K HN 0.443 nan 8.250 nan 0.000 0.444 137 S N 0.848 116.572 115.700 0.039 0.000 2.356 137 S HA -0.122 4.320 4.470 -0.045 0.000 0.223 137 S C 2.171 176.803 174.600 0.055 0.000 1.032 137 S CA 1.272 59.495 58.200 0.038 0.000 1.005 137 S CB -0.446 62.768 63.200 0.024 0.000 0.867 137 S HN 0.018 nan 8.310 nan 0.000 0.449 138 V N 2.272 122.224 119.914 0.064 0.000 2.287 138 V HA -0.173 3.920 4.120 -0.045 0.000 0.248 138 V C 2.261 178.414 176.094 0.099 0.000 1.053 138 V CA 1.741 64.097 62.300 0.093 0.000 1.027 138 V CB -0.705 31.161 31.823 0.073 0.000 0.646 138 V HN 0.402 nan 8.190 nan 0.000 0.447 139 L N -1.057 120.213 121.223 0.078 0.000 2.017 139 L HA -0.179 4.134 4.340 -0.045 0.000 0.208 139 L C 2.335 179.258 176.870 0.089 0.000 1.073 139 L CA 1.594 56.484 54.840 0.084 0.000 0.745 139 L CB -0.155 41.947 42.059 0.073 0.000 0.894 139 L HN 0.227 nan 8.230 nan 0.000 0.432 140 L N -0.217 121.056 121.223 0.084 0.000 2.083 140 L HA -0.186 4.126 4.340 -0.045 0.000 0.209 140 L C 2.673 179.513 176.870 -0.050 0.000 1.083 140 L CA 1.602 56.492 54.840 0.083 0.000 0.752 140 L CB -0.760 41.357 42.059 0.097 0.000 0.899 140 L HN 0.183 nan 8.230 nan 0.000 0.433 141 R N -0.494 119.993 120.500 -0.021 0.000 2.075 141 R HA -0.182 4.131 4.340 -0.045 0.000 0.232 141 R C 2.318 178.591 176.300 -0.046 0.000 1.126 141 R CA 1.472 57.535 56.100 -0.062 0.000 0.963 141 R CB -0.138 30.161 30.300 -0.000 0.000 0.858 141 R HN 0.485 nan 8.270 nan 0.000 0.435 142 E N 0.178 120.441 120.200 0.106 0.000 2.106 142 E HA -0.201 4.122 4.350 -0.045 0.000 0.192 142 E C 1.920 178.575 176.600 0.092 0.000 0.984 142 E CA 0.915 57.436 56.400 0.202 0.000 0.806 142 E CB -0.061 29.753 29.700 0.190 0.000 0.750 142 E HN 0.372 nan 8.360 nan 0.000 0.458 143 L N 0.291 121.515 121.223 0.002 0.000 2.093 143 L HA -0.107 4.206 4.340 -0.045 0.000 0.208 143 L C 2.524 179.224 176.870 -0.284 0.000 1.085 143 L CA 1.158 55.951 54.840 -0.078 0.000 0.755 143 L CB -0.285 41.792 42.059 0.031 0.000 0.904 143 L HN 0.262 nan 8.230 nan 0.000 0.435 144 A N -0.924 121.629 122.820 -0.446 0.000 1.873 144 A HA -0.299 3.994 4.320 -0.045 0.000 0.215 144 A C 2.100 179.255 177.584 -0.716 0.000 1.186 144 A CA 1.585 53.137 52.037 -0.809 0.000 0.616 144 A CB -1.006 17.312 19.000 -1.137 0.000 0.823 144 A HN 0.523 nan 8.150 nan 0.000 0.442 145 Y N 2.018 121.867 120.300 -0.752 0.000 2.053 145 Y HA -0.292 4.229 4.550 -0.049 0.000 0.277 145 Y C 2.880 178.683 175.900 -0.162 0.000 1.159 145 Y CA 2.930 60.783 58.100 -0.413 0.000 1.125 145 Y CB -0.955 37.546 38.460 0.068 0.000 0.969 145 Y HN 0.426 nan 8.280 nan 0.000 0.492 146 T N -2.569 111.853 114.554 -0.219 0.000 3.007 146 T HA -0.032 4.291 4.350 -0.045 0.000 0.270 146 T C 2.069 176.636 174.700 -0.223 0.000 1.107 146 T CA 1.006 62.965 62.100 -0.234 0.000 1.118 146 T CB -1.074 67.780 68.868 -0.024 0.000 0.889 146 T HN 0.437 nan 8.240 nan 0.000 0.506 147 G N 1.285 109.915 108.800 -0.283 0.000 2.408 147 G HA2 0.117 4.050 3.960 -0.045 0.000 0.215 147 G HA3 0.117 4.050 3.960 -0.045 0.000 0.215 147 G C 1.469 176.271 174.900 -0.163 0.000 1.156 147 G CA 0.248 45.208 45.100 -0.234 0.000 0.793 147 G HN 0.507 nan 8.290 nan 0.000 0.535 148 L N 0.090 121.161 121.223 -0.254 0.000 2.056 148 L HA 0.062 4.375 4.340 -0.045 0.000 0.207 148 L C 2.792 179.577 176.870 -0.142 0.000 1.078 148 L CA 0.453 55.191 54.840 -0.169 0.000 0.749 148 L CB -0.407 41.538 42.059 -0.190 0.000 0.901 148 L HN 0.146 nan 8.230 nan 0.000 0.433 149 L N -0.349 120.724 121.223 -0.250 0.000 2.187 149 L HA -0.209 4.104 4.340 -0.045 0.000 0.213 149 L C 2.588 179.399 176.870 -0.099 0.000 1.100 149 L CA 1.094 55.812 54.840 -0.205 0.000 0.765 149 L CB -0.401 41.467 42.059 -0.319 0.000 0.904 149 L HN 0.252 nan 8.230 nan 0.000 0.437 150 R N -0.209 120.246 120.500 -0.075 0.000 2.310 150 R HA 0.043 4.355 4.340 -0.045 0.000 0.202 150 R C 1.189 177.493 176.300 0.007 0.000 0.933 150 R CA 0.649 56.739 56.100 -0.017 0.000 1.054 150 R CB 0.263 30.572 30.300 0.014 0.000 0.985 150 R HN 0.367 nan 8.270 nan 0.000 0.489 151 G N 0.971 109.772 108.800 0.000 0.000 2.157 151 G HA2 -0.209 3.723 3.960 -0.045 0.000 0.248 151 G HA3 -0.209 3.723 3.960 -0.045 0.000 0.248 151 G C -0.610 174.320 174.900 0.048 0.000 0.979 151 G CA 0.125 45.237 45.100 0.020 0.000 0.650 151 G HN 0.372 nan 8.290 nan 0.000 0.529 152 D N 0.568 121.019 120.400 0.086 0.000 2.399 152 D HA 0.379 4.992 4.640 -0.045 0.000 0.241 152 D C 1.153 177.551 176.300 0.163 0.000 1.133 152 D CA 0.223 54.326 54.000 0.172 0.000 0.890 152 D CB 0.630 41.650 40.800 0.367 0.000 1.201 152 D HN 0.427 nan 8.370 nan 0.000 0.432 153 R N 1.148 121.750 120.500 0.169 0.000 2.532 153 R HA 0.735 5.048 4.340 -0.045 0.000 0.272 153 R C 0.162 176.629 176.300 0.278 0.000 1.032 153 R CA -0.597 55.593 56.100 0.150 0.000 1.089 153 R CB 1.092 31.404 30.300 0.020 0.000 1.098 153 R HN 0.504 nan 8.270 nan 0.000 0.526 154 M N -1.388 118.389 119.600 0.295 0.000 2.605 154 M HA 0.358 4.811 4.480 -0.045 0.000 0.281 154 M C -1.507 174.957 176.300 0.272 0.000 1.166 154 M CA -1.158 54.354 55.300 0.354 0.000 0.875 154 M CB 1.744 34.565 32.600 0.368 0.000 1.732 154 M HN 0.152 nan 8.290 nan 0.000 0.504 155 V N 2.653 122.729 119.914 0.270 0.000 2.459 155 V HA 0.655 4.748 4.120 -0.045 0.000 0.295 155 V C -0.521 175.624 176.094 0.085 0.000 1.029 155 V CA -0.444 61.907 62.300 0.086 0.000 0.874 155 V CB 1.850 33.751 31.823 0.129 0.000 0.985 155 V HN 0.751 nan 8.190 nan 0.000 0.438 156 I N 4.195 124.702 120.570 -0.104 0.000 2.468 156 I HA 0.322 4.464 4.170 -0.045 0.000 0.285 156 I C -0.471 175.688 176.117 0.071 0.000 1.039 156 I CA -0.807 60.480 61.300 -0.022 0.000 1.074 156 I CB 2.292 40.122 38.000 -0.283 0.000 1.228 156 I HN 0.293 nan 8.210 nan 0.000 0.436 157 V N 4.709 124.742 119.914 0.199 0.000 2.364 157 V HA 0.040 4.133 4.120 -0.045 0.000 0.252 157 V C -0.117 176.132 176.094 0.258 0.000 1.075 157 V CA 0.128 62.623 62.300 0.326 0.000 1.033 157 V CB 0.335 32.374 31.823 0.361 0.000 1.116 157 V HN 0.625 nan 8.190 nan 0.000 0.488 158 D N 7.247 127.760 120.400 0.188 0.000 2.485 158 D HA 0.362 4.974 4.640 -0.045 0.000 0.229 158 D C -2.683 173.375 176.300 -0.402 0.000 1.101 158 D CA -2.127 51.862 54.000 -0.017 0.000 0.906 158 D CB 1.532 42.421 40.800 0.148 0.000 1.019 158 D HN 0.261 nan 8.370 nan 0.000 0.516 159 P HA 0.137 nan 4.420 nan 0.000 0.267 159 P C -0.129 176.807 177.300 -0.608 0.000 1.205 159 P CA -0.022 62.387 63.100 -1.151 0.000 0.765 159 P CB 0.481 31.724 31.700 -0.762 0.000 0.828 160 N N 2.609 120.949 118.700 -0.600 0.000 2.815 160 N HA -0.207 4.506 4.740 -0.045 0.000 0.247 160 N C 0.926 176.319 175.510 -0.195 0.000 1.030 160 N CA 1.715 54.563 53.050 -0.337 0.000 0.881 160 N CB -1.789 36.541 38.487 -0.263 0.000 1.134 160 N HN 0.832 nan 8.380 nan 0.000 0.582 161 G N 0.475 109.173 108.800 -0.170 0.000 2.179 161 G HA2 -0.377 3.555 3.960 -0.045 0.000 0.257 161 G HA3 -0.377 3.555 3.960 -0.045 0.000 0.257 161 G C 0.554 175.402 174.900 -0.086 0.000 1.010 161 G CA 1.292 46.346 45.100 -0.077 0.000 0.736 161 G HN 0.614 nan 8.290 nan 0.000 0.513 162 D N -0.339 120.005 120.400 -0.094 0.000 2.104 162 D HA -0.131 4.482 4.640 -0.045 0.000 0.194 162 D C 2.586 178.850 176.300 -0.060 0.000 0.994 162 D CA 1.828 55.778 54.000 -0.083 0.000 0.830 162 D CB -0.067 40.686 40.800 -0.079 0.000 0.959 162 D HN 0.327 nan 8.370 nan 0.000 0.452 163 M N -0.195 119.428 119.600 0.039 0.000 2.175 163 M HA -0.051 4.402 4.480 -0.045 0.000 0.264 163 M C 2.184 178.566 176.300 0.136 0.000 1.063 163 M CA 0.659 56.087 55.300 0.213 0.000 1.119 163 M CB -1.051 31.750 32.600 0.335 0.000 1.377 163 M HN 0.242 nan 8.290 nan 0.000 0.415 164 L N 1.028 122.161 121.223 -0.151 0.000 1.970 164 L HA -0.183 4.130 4.340 -0.045 0.000 0.212 164 L C 2.635 179.238 176.870 -0.444 0.000 1.071 164 L CA 2.593 56.972 54.840 -0.770 0.000 0.751 164 L CB -1.179 40.533 42.059 -0.578 0.000 0.889 164 L HN 0.449 nan 8.230 nan 0.000 0.432 165 S N -1.327 114.214 115.700 -0.266 0.000 2.419 165 S HA -0.221 4.222 4.470 -0.045 0.000 0.235 165 S C 1.854 176.305 174.600 -0.249 0.000 1.019 165 S CA 1.523 59.596 58.200 -0.212 0.000 0.982 165 S CB -0.553 62.559 63.200 -0.147 0.000 0.789 165 S HN 0.646 nan 8.310 nan 0.000 0.490 166 K N -0.777 119.413 120.400 -0.349 0.000 2.348 166 K HA 0.292 4.585 4.320 -0.045 0.000 0.194 166 K C 0.296 176.420 176.600 -0.793 0.000 1.052 166 K CA 0.398 56.321 56.287 -0.607 0.000 1.004 166 K CB 0.187 32.157 32.500 -0.883 0.000 0.873 166 K HN 0.453 nan 8.250 nan 0.000 0.523 167 F N 0.279 120.170 119.950 -0.098 0.000 2.798 167 F HA 0.258 4.758 4.527 -0.045 0.000 0.328 167 F C 1.029 176.823 175.800 -0.009 0.000 1.098 167 F CA -0.881 57.119 58.000 0.000 0.000 1.172 167 F CB 0.492 39.537 39.000 0.075 0.000 1.072 167 F HN -0.170 nan 8.300 nan 0.000 0.555 168 G N 1.656 110.368 108.800 -0.147 0.000 2.334 168 G HA2 0.391 4.324 3.960 -0.045 0.000 0.261 168 G HA3 0.391 4.324 3.960 -0.045 0.000 0.261 168 G C 0.051 174.917 174.900 -0.057 0.000 1.257 168 G CA -0.113 44.819 45.100 -0.281 0.000 0.935 168 G HN 0.139 nan 8.290 nan 0.000 0.480 169 R N 0.637 121.165 120.500 0.048 0.000 2.810 169 R HA 0.291 4.604 4.340 -0.045 0.000 0.245 169 R C 1.561 177.888 176.300 0.045 0.000 1.168 169 R CA -0.433 55.704 56.100 0.063 0.000 1.096 169 R CB 0.898 31.265 30.300 0.112 0.000 1.259 169 R HN 0.639 nan 8.270 nan 0.000 0.518 170 D N 0.949 121.376 120.400 0.045 0.000 2.117 170 D HA -0.212 4.401 4.640 -0.045 0.000 0.198 170 D C 0.832 177.169 176.300 0.062 0.000 0.982 170 D CA 1.405 55.428 54.000 0.038 0.000 0.828 170 D CB -0.036 40.784 40.800 0.033 0.000 0.967 170 D HN 0.564 nan 8.370 nan 0.000 0.464 171 K N 0.513 120.966 120.400 0.088 0.000 2.505 171 K HA 0.017 4.310 4.320 -0.045 0.000 0.192 171 K C -0.253 176.448 176.600 0.169 0.000 1.025 171 K CA -0.137 56.220 56.287 0.118 0.000 1.086 171 K CB 0.133 32.701 32.500 0.113 0.000 0.840 171 K HN -0.092 nan 8.250 nan 0.000 0.514 172 D N 1.470 121.971 120.400 0.168 0.000 2.329 172 D HA 0.179 4.792 4.640 -0.045 0.000 0.246 172 D C 0.264 176.649 176.300 0.142 0.000 1.111 172 D CA -0.316 53.823 54.000 0.233 0.000 0.941 172 D CB 1.027 42.019 40.800 0.320 0.000 1.169 172 D HN 0.014 nan 8.370 nan 0.000 0.441 173 I N 1.111 121.740 120.570 0.098 0.000 2.498 173 I HA 0.433 4.576 4.170 -0.045 0.000 0.301 173 I C 0.381 176.394 176.117 -0.172 0.000 0.984 173 I CA -0.607 60.598 61.300 -0.159 0.000 1.204 173 I CB 1.002 38.707 38.000 -0.492 0.000 1.362 173 I HN 0.181 nan 8.210 nan 0.000 0.471 174 I N 5.381 125.789 120.570 -0.270 0.000 2.533 174 I HA 0.397 4.539 4.170 -0.045 0.000 0.290 174 I C -0.872 175.030 176.117 -0.359 0.000 1.056 174 I CA -0.538 60.638 61.300 -0.208 0.000 1.057 174 I CB 2.565 40.504 38.000 -0.102 0.000 1.240 174 I HN 0.254 nan 8.210 nan 0.000 0.423 175 L N 6.537 127.508 121.223 -0.420 0.000 2.342 175 L HA 0.544 4.857 4.340 -0.045 0.000 0.276 175 L C -0.670 176.056 176.870 -0.239 0.000 0.997 175 L CA -0.315 54.133 54.840 -0.653 0.000 0.838 175 L CB 1.259 42.408 42.059 -1.516 0.000 1.224 175 L HN 0.546 nan 8.230 nan 0.000 0.416 176 N N 5.199 123.935 118.700 0.060 0.000 2.839 176 N HA 0.161 4.874 4.740 -0.045 0.000 0.258 176 N C -2.385 173.312 175.510 0.313 0.000 1.150 176 N CA -1.029 52.219 53.050 0.329 0.000 0.957 176 N CB 2.579 41.261 38.487 0.325 0.000 1.560 176 N HN 0.095 nan 8.380 nan 0.000 0.588 177 P HA -0.119 nan 4.420 nan 0.000 0.220 177 P C 0.194 177.438 177.300 -0.092 0.000 1.144 177 P CA 1.375 64.521 63.100 0.077 0.000 0.800 177 P CB 0.100 31.765 31.700 -0.057 0.000 0.772 178 Y N -1.083 119.347 120.300 0.217 0.000 2.607 178 Y HA 0.332 4.853 4.550 -0.047 0.000 0.266 178 Y C 0.679 176.692 175.900 0.189 0.000 1.178 178 Y CA -0.751 57.484 58.100 0.226 0.000 1.226 178 Y CB 0.067 38.712 38.460 0.308 0.000 1.144 178 Y HN -0.081 nan 8.280 nan 0.000 0.528 179 D N 0.441 120.975 120.400 0.223 0.000 2.391 179 D HA 0.104 4.716 4.640 -0.045 0.000 0.245 179 D C 0.568 176.846 176.300 -0.037 0.000 1.069 179 D CA -0.201 53.808 54.000 0.015 0.000 0.831 179 D CB 1.736 42.594 40.800 0.096 0.000 1.204 179 D HN 0.186 nan 8.370 nan 0.000 0.503 180 Q N 2.066 121.801 119.800 -0.108 0.000 2.308 180 Q HA -0.147 4.166 4.340 -0.045 0.000 0.209 180 Q C 1.366 177.332 176.000 -0.056 0.000 0.985 180 Q CA 1.466 57.225 55.803 -0.074 0.000 0.881 180 Q CB 0.302 28.983 28.738 -0.094 0.000 0.917 180 Q HN 0.364 nan 8.270 nan 0.000 0.443 181 R N -0.868 119.593 120.500 -0.065 0.000 2.297 181 R HA 0.072 4.385 4.340 -0.045 0.000 0.197 181 R C 0.774 177.036 176.300 -0.063 0.000 0.943 181 R CA 0.148 56.213 56.100 -0.059 0.000 1.038 181 R CB 0.198 30.456 30.300 -0.070 0.000 0.957 181 R HN 0.028 nan 8.270 nan 0.000 0.484 182 T N 1.132 115.657 114.554 -0.048 0.000 2.906 182 T HA -0.014 4.308 4.350 -0.045 0.000 0.320 182 T C 0.369 175.020 174.700 -0.083 0.000 1.088 182 T CA 0.165 62.221 62.100 -0.073 0.000 1.120 182 T CB 0.468 69.331 68.868 -0.008 0.000 1.000 182 T HN -0.123 nan 8.240 nan 0.000 0.550 183 K N 1.642 121.941 120.400 -0.168 0.000 2.098 183 K HA 0.460 4.753 4.320 -0.045 0.000 0.244 183 K C 0.517 177.148 176.600 0.051 0.000 1.014 183 K CA -0.395 55.824 56.287 -0.114 0.000 0.917 183 K CB 0.910 33.175 32.500 -0.392 0.000 1.072 183 K HN 0.782 nan 8.250 nan 0.000 0.477 184 G N 0.288 109.185 108.800 0.161 0.000 2.338 184 G HA2 0.389 4.321 3.960 -0.045 0.000 0.298 184 G HA3 0.389 4.321 3.960 -0.045 0.000 0.298 184 G C -1.470 173.666 174.900 0.393 0.000 1.140 184 G CA -0.349 44.885 45.100 0.223 0.000 0.860 184 G HN 0.559 nan 8.290 nan 0.000 0.470 185 W N 1.589 123.005 121.300 0.192 0.000 3.213 185 W HA 0.620 5.258 4.660 -0.037 0.000 0.318 185 W C -0.859 175.828 176.519 0.280 0.000 1.248 185 W CA -0.732 56.772 57.345 0.265 0.000 1.187 185 W CB 2.153 31.825 29.460 0.353 0.000 1.403 185 W HN 0.734 nan 8.180 nan 0.000 0.556 186 S N 3.559 118.707 115.700 -0.920 0.000 2.537 186 S HA 0.281 4.723 4.470 -0.045 0.000 0.270 186 S C 0.289 173.945 174.600 -1.573 0.000 1.142 186 S CA -0.383 57.248 58.200 -0.950 0.000 0.870 186 S CB 0.291 63.354 63.200 -0.228 0.000 1.112 186 S HN 0.855 nan 8.310 nan 0.000 0.466 187 F N 2.815 122.019 119.950 -1.243 0.000 2.307 187 F HA 0.084 4.584 4.527 -0.045 0.000 0.301 187 F C 1.094 176.596 175.800 -0.497 0.000 1.076 187 F CA 1.000 58.590 58.000 -0.682 0.000 1.383 187 F CB -0.788 38.055 39.000 -0.262 0.000 1.055 187 F HN 0.517 nan 8.300 nan 0.000 0.526 188 F N 1.729 121.028 119.950 -1.084 0.000 2.202 188 F HA -0.195 4.306 4.527 -0.043 0.000 0.301 188 F C 1.996 177.490 175.800 -0.510 0.000 1.082 188 F CA 1.465 58.988 58.000 -0.795 0.000 1.313 188 F CB -1.001 37.633 39.000 -0.611 0.000 1.024 188 F HN 0.056 nan 8.300 nan 0.000 0.495 189 N N 0.315 118.850 118.700 -0.276 0.000 2.585 189 N HA -0.123 4.590 4.740 -0.045 0.000 0.188 189 N C 1.188 176.593 175.510 -0.176 0.000 1.102 189 N CA 0.838 53.778 53.050 -0.183 0.000 0.920 189 N CB -0.280 38.130 38.487 -0.129 0.000 0.963 189 N HN 0.413 nan 8.380 nan 0.000 0.447 190 E N 0.107 120.140 120.200 -0.279 0.000 2.460 190 E HA 0.131 4.453 4.350 -0.045 0.000 0.200 190 E C 0.458 176.733 176.600 -0.541 0.000 1.011 190 E CA -0.135 56.012 56.400 -0.423 0.000 0.912 190 E CB 0.690 29.970 29.700 -0.700 0.000 0.953 190 E HN 0.205 nan 8.360 nan 0.000 0.494 191 I N 1.860 122.130 120.570 -0.500 0.000 2.452 191 I HA 0.109 4.252 4.170 -0.045 0.000 0.287 191 I C 1.390 177.286 176.117 -0.370 0.000 1.079 191 I CA 0.464 61.429 61.300 -0.559 0.000 1.387 191 I CB 0.628 38.083 38.000 -0.908 0.000 1.404 191 I HN -0.038 nan 8.210 nan 0.000 0.522 192 R N 3.455 123.761 120.500 -0.322 0.000 2.302 192 R HA 0.228 4.541 4.340 -0.045 0.000 0.187 192 R C 0.317 176.507 176.300 -0.183 0.000 0.904 192 R CA -0.080 55.898 56.100 -0.203 0.000 1.105 192 R CB 0.467 30.678 30.300 -0.148 0.000 1.239 192 R HN 0.609 nan 8.270 nan 0.000 0.620 193 N N 0.277 118.806 118.700 -0.284 0.000 2.741 193 N HA 0.067 4.780 4.740 -0.045 0.000 0.310 193 N C -0.154 175.246 175.510 -0.183 0.000 1.295 193 N CA -0.296 52.621 53.050 -0.221 0.000 0.893 193 N CB 1.000 39.295 38.487 -0.320 0.000 1.247 193 N HN -0.104 nan 8.380 nan 0.000 0.596 194 D N -0.535 119.879 120.400 0.022 0.000 2.194 194 D HA -0.090 4.523 4.640 -0.045 0.000 0.204 194 D C 1.579 178.040 176.300 0.267 0.000 0.964 194 D CA 0.972 55.125 54.000 0.256 0.000 0.846 194 D CB -0.018 40.944 40.800 0.270 0.000 0.962 194 D HN 0.602 nan 8.370 nan 0.000 0.490 195 Y N -0.605 119.799 120.300 0.174 0.000 2.639 195 Y HA 0.080 4.602 4.550 -0.047 0.000 0.297 195 Y C 1.106 177.092 175.900 0.143 0.000 1.151 195 Y CA 0.413 58.604 58.100 0.151 0.000 1.335 195 Y CB -0.463 38.054 38.460 0.095 0.000 0.994 195 Y HN -0.157 nan 8.280 nan 0.000 0.548 196 D N 0.216 120.463 120.400 -0.255 0.000 2.269 196 D HA -0.135 4.478 4.640 -0.045 0.000 0.208 196 D C 1.339 177.694 176.300 0.092 0.000 0.963 196 D CA 1.071 55.012 54.000 -0.099 0.000 0.864 196 D CB -0.510 40.129 40.800 -0.269 0.000 0.936 196 D HN 0.555 nan 8.370 nan 0.000 0.505 197 W N 1.325 122.717 121.300 0.154 0.000 2.333 197 W HA -0.202 4.431 4.660 -0.045 0.000 0.316 197 W C 2.707 179.309 176.519 0.139 0.000 1.215 197 W CA 0.802 58.249 57.345 0.169 0.000 1.278 197 W CB -0.472 29.066 29.460 0.130 0.000 1.154 197 W HN -0.012 nan 8.180 nan 0.000 0.486 198 Q N 1.075 121.077 119.800 0.337 0.000 2.046 198 Q HA -0.177 4.136 4.340 -0.045 0.000 0.200 198 Q C 2.221 178.287 176.000 0.110 0.000 0.975 198 Q CA 1.927 57.847 55.803 0.194 0.000 0.836 198 Q CB -0.601 28.234 28.738 0.163 0.000 0.896 198 Q HN 0.213 nan 8.270 nan 0.000 0.428 199 R N -1.187 119.374 120.500 0.103 0.000 2.134 199 R HA -0.228 4.085 4.340 -0.045 0.000 0.248 199 R C 1.417 177.543 176.300 -0.290 0.000 1.143 199 R CA 2.107 58.160 56.100 -0.078 0.000 0.957 199 R CB -0.386 29.882 30.300 -0.053 0.000 0.867 199 R HN 0.442 nan 8.270 nan 0.000 0.441 200 Y N -1.026 119.317 120.300 0.072 0.000 2.482 200 Y HA 0.252 4.774 4.550 -0.046 0.000 0.270 200 Y C 1.961 177.834 175.900 -0.045 0.000 1.152 200 Y CA 0.341 58.476 58.100 0.059 0.000 1.292 200 Y CB 0.307 38.833 38.460 0.110 0.000 1.070 200 Y HN 0.216 nan 8.280 nan 0.000 0.528 201 A N -0.325 122.517 122.820 0.036 0.000 1.968 201 A HA -0.090 4.202 4.320 -0.045 0.000 0.217 201 A C 1.947 179.491 177.584 -0.066 0.000 1.169 201 A CA 1.062 53.052 52.037 -0.079 0.000 0.638 201 A CB -0.632 18.373 19.000 0.008 0.000 0.812 201 A HN 0.330 nan 8.150 nan 0.000 0.446 202 L N 0.100 121.302 121.223 -0.034 0.000 2.131 202 L HA -0.107 4.206 4.340 -0.045 0.000 0.210 202 L C 2.662 179.512 176.870 -0.033 0.000 1.092 202 L CA 2.074 56.891 54.840 -0.038 0.000 0.759 202 L CB -0.781 41.248 42.059 -0.049 0.000 0.903 202 L HN 0.333 nan 8.230 nan 0.000 0.435 203 S N -1.556 114.136 115.700 -0.015 0.000 2.371 203 S HA -0.080 4.363 4.470 -0.045 0.000 0.224 203 S C 2.002 176.627 174.600 0.042 0.000 1.029 203 S CA 1.068 59.299 58.200 0.052 0.000 0.978 203 S CB -0.107 63.204 63.200 0.184 0.000 0.833 203 S HN 0.238 nan 8.310 nan 0.000 0.466 204 V N 1.121 121.016 119.914 -0.031 0.000 2.453 204 V HA 0.027 4.120 4.120 -0.045 0.000 0.247 204 V C 0.718 176.746 176.094 -0.109 0.000 1.048 204 V CA 0.947 63.167 62.300 -0.133 0.000 1.049 204 V CB -0.283 31.273 31.823 -0.446 0.000 0.672 204 V HN 0.259 nan 8.190 nan 0.000 0.457 205 V N 3.377 123.236 119.914 -0.090 0.000 2.250 205 V HA 0.318 4.411 4.120 -0.045 0.000 0.268 205 V C -2.123 173.950 176.094 -0.036 0.000 1.043 205 V CA -1.707 60.562 62.300 -0.051 0.000 0.814 205 V CB 0.968 32.767 31.823 -0.040 0.000 1.072 205 V HN 0.305 nan 8.190 nan 0.000 0.451 206 P HA 0.115 nan 4.420 nan 0.000 0.272 206 P C -0.155 177.109 177.300 -0.060 0.000 1.254 206 P CA -0.435 62.637 63.100 -0.048 0.000 0.795 206 P CB 0.755 32.420 31.700 -0.059 0.000 1.022 207 R N -0.173 120.277 120.500 -0.084 0.000 2.623 207 R HA 0.230 4.543 4.340 -0.045 0.000 0.271 207 R C 1.015 177.248 176.300 -0.111 0.000 1.043 207 R CA 0.291 56.334 56.100 -0.096 0.000 1.083 207 R CB -0.772 29.464 30.300 -0.108 0.000 0.974 207 R HN 0.621 nan 8.270 nan 0.000 0.436 208 G N 1.028 109.766 108.800 -0.103 0.000 2.467 208 G HA2 0.030 3.963 3.960 -0.045 0.000 0.257 208 G HA3 0.030 3.963 3.960 -0.045 0.000 0.257 208 G C 0.846 175.668 174.900 -0.130 0.000 1.227 208 G CA -0.452 44.582 45.100 -0.109 0.000 0.835 208 G HN 0.646 nan 8.290 nan 0.000 0.556 209 K N -0.070 120.259 120.400 -0.118 0.000 2.063 209 K HA -0.084 4.209 4.320 -0.045 0.000 0.208 209 K C 1.331 177.865 176.600 -0.111 0.000 1.048 209 K CA 1.630 57.852 56.287 -0.108 0.000 0.928 209 K CB -0.186 32.267 32.500 -0.079 0.000 0.713 209 K HN 0.619 nan 8.250 nan 0.000 0.442 210 T N -2.201 112.264 114.554 -0.149 0.000 2.949 210 T HA 0.186 4.509 4.350 -0.045 0.000 0.287 210 T C 0.484 175.061 174.700 -0.206 0.000 1.034 210 T CA -0.911 61.091 62.100 -0.164 0.000 1.018 210 T CB 1.476 70.232 68.868 -0.187 0.000 1.135 210 T HN -0.065 nan 8.240 nan 0.000 0.532 211 D N 0.129 120.420 120.400 -0.182 0.000 2.149 211 D HA -0.113 4.500 4.640 -0.045 0.000 0.198 211 D C 1.737 177.864 176.300 -0.288 0.000 0.990 211 D CA 1.416 55.304 54.000 -0.186 0.000 0.839 211 D CB -0.039 40.681 40.800 -0.134 0.000 0.948 211 D HN 0.874 nan 8.370 nan 0.000 0.460 212 E N 0.380 120.353 120.200 -0.377 0.000 2.106 212 E HA -0.104 4.218 4.350 -0.045 0.000 0.192 212 E C 1.940 177.863 176.600 -1.128 0.000 0.984 212 E CA 0.980 57.001 56.400 -0.632 0.000 0.806 212 E CB 0.032 29.387 29.700 -0.574 0.000 0.750 212 E HN 0.156 nan 8.360 nan 0.000 0.458 213 A N 0.672 122.955 122.820 -0.895 0.000 2.015 213 A HA -0.158 4.135 4.320 -0.045 0.000 0.219 213 A C 1.991 179.372 177.584 -0.339 0.000 1.163 213 A CA 1.560 53.168 52.037 -0.716 0.000 0.646 213 A CB -0.354 18.449 19.000 -0.329 0.000 0.806 213 A HN 0.263 nan 8.150 nan 0.000 0.448 214 E N 0.368 120.381 120.200 -0.313 0.000 2.299 214 E HA -0.105 4.218 4.350 -0.045 0.000 0.193 214 E C 1.816 178.278 176.600 -0.230 0.000 0.998 214 E CA 1.177 57.458 56.400 -0.198 0.000 0.851 214 E CB -0.239 29.362 29.700 -0.164 0.000 0.795 214 E HN 0.722 nan 8.360 nan 0.000 0.492 215 E N -0.565 119.432 120.200 -0.339 0.000 2.028 215 E HA -0.169 4.153 4.350 -0.045 0.000 0.191 215 E C 1.373 177.727 176.600 -0.410 0.000 0.988 215 E CA 1.303 57.470 56.400 -0.389 0.000 0.799 215 E CB -0.263 29.244 29.700 -0.323 0.000 0.755 215 E HN 0.309 nan 8.360 nan 0.000 0.447 216 W N 0.710 121.892 121.300 -0.195 0.000 2.354 216 W HA -0.033 4.600 4.660 -0.045 0.000 0.315 216 W C 2.590 179.097 176.519 -0.019 0.000 1.206 216 W CA 0.890 58.229 57.345 -0.009 0.000 1.290 216 W CB -1.474 28.039 29.460 0.090 0.000 1.152 216 W HN 0.241 nan 8.180 nan 0.000 0.489 217 A N 0.029 122.961 122.820 0.187 0.000 1.948 217 A HA -0.252 4.041 4.320 -0.045 0.000 0.220 217 A C 2.299 179.913 177.584 0.051 0.000 1.177 217 A CA 2.606 54.704 52.037 0.101 0.000 0.636 217 A CB -1.154 17.864 19.000 0.029 0.000 0.815 217 A HN 0.232 nan 8.150 nan 0.000 0.449 218 S N -1.777 113.895 115.700 -0.046 0.000 2.355 218 S HA -0.135 4.308 4.470 -0.045 0.000 0.222 218 S C 1.917 176.576 174.600 0.097 0.000 1.031 218 S CA 1.471 59.641 58.200 -0.050 0.000 0.993 218 S CB -0.494 62.598 63.200 -0.179 0.000 0.859 218 S HN 0.619 nan 8.310 nan 0.000 0.453 219 Y N 1.658 122.081 120.300 0.205 0.000 2.165 219 Y HA 0.010 4.534 4.550 -0.044 0.000 0.286 219 Y C 2.764 178.833 175.900 0.280 0.000 1.155 219 Y CA 0.472 58.768 58.100 0.326 0.000 1.164 219 Y CB -1.456 37.234 38.460 0.384 0.000 0.978 219 Y HN 0.355 nan 8.280 nan 0.000 0.513 220 G N -0.130 108.856 108.800 0.309 0.000 2.442 220 G HA2 -0.241 3.691 3.960 -0.045 0.000 0.219 220 G HA3 -0.241 3.691 3.960 -0.045 0.000 0.219 220 G C 1.810 176.782 174.900 0.120 0.000 1.141 220 G CA 0.769 45.968 45.100 0.164 0.000 0.763 220 G HN 0.330 nan 8.290 nan 0.000 0.554 221 R N -0.658 119.910 120.500 0.114 0.000 2.153 221 R HA 0.121 4.434 4.340 -0.045 0.000 0.218 221 R C 2.369 178.737 176.300 0.113 0.000 1.072 221 R CA 0.638 56.782 56.100 0.072 0.000 0.990 221 R CB -0.328 30.000 30.300 0.046 0.000 0.889 221 R HN 0.394 nan 8.270 nan 0.000 0.452 222 L N 0.950 122.283 121.223 0.183 0.000 2.023 222 L HA -0.093 4.220 4.340 -0.045 0.000 0.205 222 L C 2.060 179.069 176.870 0.231 0.000 1.073 222 L CA 1.431 56.383 54.840 0.188 0.000 0.745 222 L CB -0.578 41.598 42.059 0.195 0.000 0.900 222 L HN 0.068 nan 8.230 nan 0.000 0.435 223 L N -0.632 120.790 121.223 0.332 0.000 2.012 223 L HA -0.188 4.124 4.340 -0.045 0.000 0.210 223 L C 2.371 179.304 176.870 0.105 0.000 1.073 223 L CA 2.137 57.107 54.840 0.217 0.000 0.748 223 L CB -0.964 41.108 42.059 0.023 0.000 0.891 223 L HN 0.430 nan 8.230 nan 0.000 0.431 224 L N 0.344 121.612 121.223 0.076 0.000 1.989 224 L HA -0.228 4.085 4.340 -0.045 0.000 0.211 224 L C 2.876 179.798 176.870 0.087 0.000 1.071 224 L CA 2.441 57.308 54.840 0.045 0.000 0.749 224 L CB -0.730 41.305 42.059 -0.039 0.000 0.890 224 L HN 0.529 nan 8.230 nan 0.000 0.431 225 R N -1.316 119.239 120.500 0.093 0.000 2.148 225 R HA -0.138 4.175 4.340 -0.045 0.000 0.227 225 R C 1.897 178.176 176.300 -0.035 0.000 1.103 225 R CA 1.467 57.638 56.100 0.118 0.000 0.983 225 R CB -0.504 29.895 30.300 0.165 0.000 0.874 225 R HN 0.318 nan 8.270 nan 0.000 0.451 226 E N 0.524 120.725 120.200 0.002 0.000 2.122 226 E HA -0.003 4.320 4.350 -0.045 0.000 0.190 226 E C 1.619 178.213 176.600 -0.010 0.000 0.977 226 E CA 1.541 57.916 56.400 -0.042 0.000 0.820 226 E CB 0.041 29.753 29.700 0.021 0.000 0.770 226 E HN 0.339 nan 8.360 nan 0.000 0.462 227 T N 0.066 114.659 114.554 0.066 0.000 2.812 227 T HA -0.055 4.267 4.350 -0.045 0.000 0.264 227 T C 1.827 176.615 174.700 0.147 0.000 1.042 227 T CA 1.219 63.393 62.100 0.124 0.000 1.140 227 T CB -0.287 68.618 68.868 0.061 0.000 0.870 227 T HN 0.247 nan 8.240 nan 0.000 0.445 228 A N 1.825 124.741 122.820 0.159 0.000 1.873 228 A HA -0.076 4.217 4.320 -0.045 0.000 0.215 228 A C 2.236 179.824 177.584 0.007 0.000 1.186 228 A CA 1.672 53.899 52.037 0.316 0.000 0.616 228 A CB -0.553 18.757 19.000 0.516 0.000 0.823 228 A HN 0.402 nan 8.150 nan 0.000 0.442 229 K N -0.083 119.978 120.400 -0.565 0.000 2.113 229 K HA -0.228 4.065 4.320 -0.045 0.000 0.208 229 K C 2.151 178.544 176.600 -0.345 0.000 1.047 229 K CA 1.950 57.645 56.287 -0.986 0.000 0.928 229 K CB -0.172 31.707 32.500 -1.034 0.000 0.716 229 K HN 0.495 nan 8.250 nan 0.000 0.446 230 K N 0.701 121.000 120.400 -0.168 0.000 2.007 230 K HA -0.074 4.219 4.320 -0.045 0.000 0.206 230 K C 2.261 178.854 176.600 -0.011 0.000 1.047 230 K CA 1.003 57.227 56.287 -0.106 0.000 0.937 230 K CB -0.118 32.307 32.500 -0.125 0.000 0.718 230 K HN 0.108 nan 8.250 nan 0.000 0.438 231 L N 0.811 122.111 121.223 0.128 0.000 2.089 231 L HA -0.250 4.063 4.340 -0.045 0.000 0.213 231 L C 2.612 179.502 176.870 0.034 0.000 1.079 231 L CA 1.395 56.317 54.840 0.137 0.000 0.758 231 L CB -0.644 41.520 42.059 0.175 0.000 0.891 231 L HN 0.340 nan 8.230 nan 0.000 0.433 232 A N -0.157 122.699 122.820 0.059 0.000 1.902 232 A HA -0.153 4.139 4.320 -0.045 0.000 0.217 232 A C 2.275 179.873 177.584 0.024 0.000 1.181 232 A CA 1.307 53.380 52.037 0.061 0.000 0.623 232 A CB -0.547 18.629 19.000 0.293 0.000 0.818 232 A HN 0.345 nan 8.150 nan 0.000 0.443 233 L N -0.067 121.156 121.223 -0.001 0.000 2.056 233 L HA -0.112 4.201 4.340 -0.045 0.000 0.207 233 L C 2.328 179.177 176.870 -0.034 0.000 1.078 233 L CA 1.706 56.533 54.840 -0.022 0.000 0.749 233 L CB -0.506 41.518 42.059 -0.058 0.000 0.901 233 L HN 0.681 nan 8.230 nan 0.000 0.433 234 I N -2.981 117.563 120.570 -0.042 0.000 3.605 234 I HA 0.190 4.333 4.170 -0.045 0.000 0.301 234 I C 1.300 177.406 176.117 -0.017 0.000 1.267 234 I CA 0.702 61.979 61.300 -0.037 0.000 1.236 234 I CB -0.606 37.368 38.000 -0.043 0.000 1.010 234 I HN 0.325 nan 8.210 nan 0.000 0.491 235 G N 2.052 110.838 108.800 -0.024 0.000 2.179 235 G HA2 -0.314 3.619 3.960 -0.045 0.000 0.260 235 G HA3 -0.314 3.619 3.960 -0.045 0.000 0.260 235 G C 0.564 175.434 174.900 -0.051 0.000 0.977 235 G CA 0.534 45.613 45.100 -0.035 0.000 0.641 235 G HN 0.740 nan 8.290 nan 0.000 0.533 236 T N -0.783 113.747 114.554 -0.041 0.000 3.326 236 T HA 0.614 4.937 4.350 -0.045 0.000 0.274 236 T C -1.911 172.703 174.700 -0.142 0.000 1.608 236 T CA -1.086 60.981 62.100 -0.055 0.000 1.433 236 T CB 1.634 70.517 68.868 0.025 0.000 1.034 236 T HN 0.220 nan 8.240 nan 0.000 0.694 237 P HA 0.216 nan 4.420 nan 0.000 0.235 237 P C -0.285 176.512 177.300 -0.839 0.000 1.765 237 P CA 0.059 62.665 63.100 -0.823 0.000 1.034 237 P CB -0.146 30.970 31.700 -0.973 0.000 1.984 238 S N 1.918 117.423 115.700 -0.324 0.000 2.472 238 S HA 0.381 4.824 4.470 -0.045 0.000 0.303 238 S C 1.393 176.081 174.600 0.147 0.000 1.099 238 S CA -0.705 57.442 58.200 -0.088 0.000 1.077 238 S CB 0.677 63.867 63.200 -0.016 0.000 1.031 238 S HN -0.055 nan 8.310 nan 0.000 0.487 239 M N 3.836 123.575 119.600 0.233 0.000 2.279 239 M HA 0.022 4.475 4.480 -0.045 0.000 0.264 239 M C 1.871 178.343 176.300 0.286 0.000 1.062 239 M CA 1.424 56.924 55.300 0.333 0.000 1.099 239 M CB -1.155 31.621 32.600 0.294 0.000 1.394 239 M HN 0.690 nan 8.290 nan 0.000 0.426 240 R N -0.307 120.314 120.500 0.202 0.000 2.115 240 R HA -0.109 4.204 4.340 -0.045 0.000 0.230 240 R C 2.091 178.537 176.300 0.244 0.000 1.111 240 R CA 0.781 57.005 56.100 0.207 0.000 0.976 240 R CB 0.002 30.372 30.300 0.116 0.000 0.870 240 R HN 0.332 nan 8.270 nan 0.000 0.445 241 E N 0.742 121.069 120.200 0.212 0.000 2.028 241 E HA -0.153 4.170 4.350 -0.045 0.000 0.190 241 E C 1.946 178.754 176.600 0.347 0.000 0.984 241 E CA 0.731 57.279 56.400 0.248 0.000 0.800 241 E CB -0.346 29.493 29.700 0.231 0.000 0.758 241 E HN 0.098 nan 8.360 nan 0.000 0.448 242 L N 0.705 122.128 121.223 0.333 0.000 2.012 242 L HA -0.168 4.145 4.340 -0.045 0.000 0.210 242 L C 2.265 179.291 176.870 0.260 0.000 1.073 242 L CA 1.613 56.645 54.840 0.319 0.000 0.748 242 L CB -0.991 41.313 42.059 0.408 0.000 0.891 242 L HN 0.077 nan 8.230 nan 0.000 0.431 243 F N -0.483 119.554 119.950 0.145 0.000 2.171 243 F HA -0.248 4.252 4.527 -0.045 0.000 0.300 243 F C 2.709 178.519 175.800 0.018 0.000 1.090 243 F CA 2.071 60.118 58.000 0.077 0.000 1.293 243 F CB -0.537 38.516 39.000 0.088 0.000 1.013 243 F HN 0.425 nan 8.300 nan 0.000 0.486 244 H N -1.245 117.778 119.070 -0.078 0.000 2.326 244 H HA -0.205 4.324 4.556 -0.046 0.000 0.301 244 H C 2.106 177.167 175.328 -0.446 0.000 1.081 244 H CA 2.367 58.230 56.048 -0.309 0.000 1.334 244 H CB -0.917 28.666 29.762 -0.299 0.000 1.385 244 H HN 0.404 nan 8.280 nan 0.000 0.504 245 W N 1.149 122.263 121.300 -0.309 0.000 2.354 245 W HA -0.173 4.459 4.660 -0.046 0.000 0.315 245 W C 3.099 179.351 176.519 -0.446 0.000 1.206 245 W CA 2.281 59.363 57.345 -0.438 0.000 1.290 245 W CB -0.616 28.507 29.460 -0.561 0.000 1.152 245 W HN 0.328 nan 8.180 nan 0.000 0.489 246 T N -4.347 110.123 114.554 -0.140 0.000 2.995 246 T HA -0.050 4.272 4.350 -0.045 0.000 0.269 246 T C 1.354 175.832 174.700 -0.369 0.000 1.091 246 T CA 1.771 63.737 62.100 -0.223 0.000 1.128 246 T CB -0.363 68.423 68.868 -0.136 0.000 0.891 246 T HN -0.009 nan 8.240 nan 0.000 0.492 247 T N 0.477 114.717 114.554 -0.524 0.000 3.028 247 T HA 0.395 4.718 4.350 -0.045 0.000 0.250 247 T C 1.466 175.823 174.700 -0.571 0.000 0.979 247 T CA -0.154 61.576 62.100 -0.618 0.000 1.004 247 T CB 0.307 68.550 68.868 -1.040 0.000 1.120 247 T HN 0.207 nan 8.240 nan 0.000 0.482 248 I N 1.350 121.515 120.570 -0.675 0.000 3.172 248 I HA 0.388 4.531 4.170 -0.045 0.000 0.278 248 I C 1.514 177.247 176.117 -0.640 0.000 1.174 248 I CA -0.010 60.932 61.300 -0.597 0.000 1.445 248 I CB -1.516 36.154 38.000 -0.550 0.000 1.175 248 I HN 0.065 nan 8.210 nan 0.000 0.447 249 A N 2.256 124.515 122.820 -0.935 0.000 2.547 249 A HA 0.249 4.542 4.320 -0.045 0.000 0.233 249 A C 0.977 178.373 177.584 -0.313 0.000 1.067 249 A CA 0.363 51.993 52.037 -0.679 0.000 0.763 249 A CB -0.370 18.198 19.000 -0.721 0.000 1.007 249 A HN 0.522 nan 8.150 nan 0.000 0.506 250 T N -0.782 113.677 114.554 -0.159 0.000 2.813 250 T HA 0.322 4.645 4.350 -0.045 0.000 0.297 250 T C 0.842 175.571 174.700 0.048 0.000 1.036 250 T CA 0.088 62.175 62.100 -0.021 0.000 1.044 250 T CB 0.098 68.975 68.868 0.015 0.000 0.993 250 T HN 0.360 nan 8.240 nan 0.000 0.535 251 F N 1.163 121.055 119.950 -0.096 0.000 2.065 251 F HA -0.093 4.407 4.527 -0.045 0.000 0.298 251 F C 2.319 178.107 175.800 -0.018 0.000 1.112 251 F CA 2.076 60.028 58.000 -0.079 0.000 1.212 251 F CB -0.689 38.258 39.000 -0.087 0.000 0.975 251 F HN 0.600 nan 8.300 nan 0.000 0.476 252 D N 0.072 120.588 120.400 0.194 0.000 2.104 252 D HA -0.178 4.435 4.640 -0.045 0.000 0.194 252 D C 1.821 178.200 176.300 0.132 0.000 0.994 252 D CA 1.736 55.815 54.000 0.131 0.000 0.830 252 D CB -0.657 40.202 40.800 0.100 0.000 0.959 252 D HN 0.284 nan 8.370 nan 0.000 0.452 253 D N 0.199 120.687 120.400 0.147 0.000 2.117 253 D HA -0.088 4.524 4.640 -0.045 0.000 0.197 253 D C 2.149 178.685 176.300 0.394 0.000 0.987 253 D CA 0.228 54.381 54.000 0.256 0.000 0.829 253 D CB -0.302 40.611 40.800 0.188 0.000 0.961 253 D HN 0.142 nan 8.370 nan 0.000 0.460 254 L N 0.420 121.788 121.223 0.242 0.000 2.017 254 L HA -0.154 4.159 4.340 -0.045 0.000 0.208 254 L C 2.349 179.297 176.870 0.130 0.000 1.073 254 L CA 1.323 56.289 54.840 0.211 0.000 0.745 254 L CB -0.031 41.981 42.059 -0.079 0.000 0.894 254 L HN -0.010 nan 8.230 nan 0.000 0.432 255 R N -0.568 119.967 120.500 0.058 0.000 2.105 255 R HA -0.163 4.149 4.340 -0.045 0.000 0.239 255 R C 2.141 178.485 176.300 0.073 0.000 1.135 255 R CA 1.260 57.393 56.100 0.056 0.000 0.967 255 R CB -0.692 29.644 30.300 0.060 0.000 0.861 255 R HN 0.526 nan 8.270 nan 0.000 0.442 256 G N 0.472 109.335 108.800 0.106 0.000 2.404 256 G HA2 -0.292 3.641 3.960 -0.045 0.000 0.215 256 G HA3 -0.292 3.641 3.960 -0.045 0.000 0.215 256 G C 1.229 176.139 174.900 0.017 0.000 1.174 256 G CA 0.294 45.438 45.100 0.075 0.000 0.780 256 G HN 0.268 nan 8.290 nan 0.000 0.537 257 F N 1.123 120.997 119.950 -0.127 0.000 2.202 257 F HA 0.031 4.531 4.527 -0.045 0.000 0.301 257 F C 2.354 177.992 175.800 -0.271 0.000 1.082 257 F CA 1.033 58.808 58.000 -0.375 0.000 1.313 257 F CB -0.032 38.445 39.000 -0.873 0.000 1.024 257 F HN 0.029 nan 8.300 nan 0.000 0.495 258 L N -0.099 121.145 121.223 0.035 0.000 2.275 258 L HA -0.102 4.211 4.340 -0.045 0.000 0.215 258 L C 0.672 177.495 176.870 -0.079 0.000 1.119 258 L CA 0.417 55.262 54.840 0.009 0.000 0.790 258 L CB -0.694 41.414 42.059 0.082 0.000 0.919 258 L HN 0.006 nan 8.230 nan 0.000 0.443 259 E N 0.017 120.158 120.200 -0.098 0.000 2.558 259 E HA 0.095 4.418 4.350 -0.045 0.000 0.255 259 E C 1.047 177.559 176.600 -0.148 0.000 0.968 259 E CA 0.702 57.042 56.400 -0.099 0.000 0.939 259 E CB 0.303 29.952 29.700 -0.085 0.000 0.921 259 E HN 0.342 nan 8.360 nan 0.000 0.477 260 G N 2.691 111.424 108.800 -0.112 0.000 2.259 260 G HA2 -0.281 3.651 3.960 -0.045 0.000 0.217 260 G HA3 -0.281 3.651 3.960 -0.045 0.000 0.217 260 G C 0.545 175.377 174.900 -0.113 0.000 1.001 260 G CA 0.138 45.165 45.100 -0.121 0.000 0.627 260 G HN 0.675 nan 8.290 nan 0.000 0.501 261 T N -0.719 113.770 114.554 -0.110 0.000 2.849 261 T HA 0.689 5.011 4.350 -0.045 0.000 0.276 261 T C 1.640 176.301 174.700 -0.064 0.000 0.971 261 T CA -0.140 61.905 62.100 -0.092 0.000 0.949 261 T CB 1.252 70.071 68.868 -0.081 0.000 1.093 261 T HN 0.324 nan 8.240 nan 0.000 0.545 262 L N 0.085 121.273 121.223 -0.059 0.000 2.551 262 L HA 0.181 4.494 4.340 -0.045 0.000 0.228 262 L C 2.538 179.371 176.870 -0.062 0.000 1.153 262 L CA 0.676 55.484 54.840 -0.053 0.000 0.851 262 L CB -0.639 41.392 42.059 -0.045 0.000 0.959 262 L HN 0.887 nan 8.230 nan 0.000 0.451 263 A N -0.464 122.331 122.820 -0.042 0.000 2.308 263 A HA -0.025 4.268 4.320 -0.045 0.000 0.217 263 A C 2.070 179.657 177.584 0.004 0.000 1.216 263 A CA 0.089 52.102 52.037 -0.040 0.000 0.864 263 A CB -0.112 18.943 19.000 0.091 0.000 0.902 263 A HN 0.416 nan 8.150 nan 0.000 0.499 264 E N 0.470 120.663 120.200 -0.011 0.000 2.033 264 E HA -0.207 4.116 4.350 -0.045 0.000 0.199 264 E C 1.618 178.221 176.600 0.004 0.000 1.011 264 E CA 1.983 58.383 56.400 -0.001 0.000 0.815 264 E CB -0.149 29.535 29.700 -0.027 0.000 0.755 264 E HN 0.460 nan 8.360 nan 0.000 0.451 265 S N -0.032 115.653 115.700 -0.026 0.000 2.478 265 S HA 0.116 4.559 4.470 -0.045 0.000 0.222 265 S C 1.856 176.422 174.600 -0.056 0.000 1.008 265 S CA 0.050 58.234 58.200 -0.027 0.000 0.928 265 S CB 0.024 63.205 63.200 -0.031 0.000 0.781 265 S HN 0.243 nan 8.310 nan 0.000 0.518 266 L N -0.111 121.033 121.223 -0.132 0.000 2.083 266 L HA -0.027 4.286 4.340 -0.045 0.000 0.209 266 L C 0.962 177.654 176.870 -0.297 0.000 1.083 266 L CA 1.148 55.828 54.840 -0.265 0.000 0.752 266 L CB -0.300 41.500 42.059 -0.432 0.000 0.899 266 L HN 0.285 nan 8.230 nan 0.000 0.433 267 F N -0.183 119.736 119.950 -0.051 0.000 2.668 267 F HA 0.442 4.941 4.527 -0.046 0.000 0.297 267 F C 0.666 176.441 175.800 -0.041 0.000 1.124 267 F CA -0.524 57.432 58.000 -0.073 0.000 1.353 267 F CB -0.260 38.685 39.000 -0.092 0.000 0.992 267 F HN -0.112 nan 8.300 nan 0.000 0.524 268 A N -1.592 121.295 122.820 0.112 0.000 2.587 268 A HA 0.697 4.989 4.320 -0.045 0.000 0.293 268 A C 0.811 178.421 177.584 0.044 0.000 1.087 268 A CA -0.105 51.980 52.037 0.081 0.000 0.692 268 A CB 1.048 20.089 19.000 0.069 0.000 1.291 268 A HN 0.558 nan 8.150 nan 0.000 0.407 269 G N -0.614 108.211 108.800 0.041 0.000 2.218 269 G HA2 0.184 4.116 3.960 -0.045 0.000 0.216 269 G HA3 0.184 4.116 3.960 -0.045 0.000 0.216 269 G C 0.362 175.276 174.900 0.023 0.000 0.994 269 G CA 0.737 45.852 45.100 0.025 0.000 0.637 269 G HN 2.591 nan 8.290 nan 0.000 0.505 270 S N -1.518 114.200 115.700 0.030 0.000 2.611 270 S HA 0.599 5.042 4.470 -0.045 0.000 0.268 270 S C 0.479 175.098 174.600 0.032 0.000 1.156 270 S CA 0.130 58.345 58.200 0.026 0.000 0.817 270 S CB 0.969 64.182 63.200 0.022 0.000 1.122 270 S HN -0.018 nan 8.310 nan 0.000 0.466 271 N N 0.763 119.478 118.700 0.025 0.000 2.244 271 N HA -0.072 4.640 4.740 -0.045 0.000 0.183 271 N C 1.398 176.929 175.510 0.034 0.000 1.016 271 N CA 1.517 54.582 53.050 0.024 0.000 0.866 271 N CB -0.395 38.102 38.487 0.017 0.000 0.980 271 N HN 0.782 nan 8.380 nan 0.000 0.430 272 E N 1.173 121.394 120.200 0.035 0.000 2.072 272 E HA 0.046 4.369 4.350 -0.045 0.000 0.190 272 E C 1.804 178.418 176.600 0.023 0.000 0.982 272 E CA 1.059 57.481 56.400 0.037 0.000 0.803 272 E CB -0.265 29.460 29.700 0.042 0.000 0.755 272 E HN 0.271 nan 8.360 nan 0.000 0.453 273 A N -0.112 122.727 122.820 0.032 0.000 1.940 273 A HA -0.175 4.118 4.320 -0.045 0.000 0.219 273 A C 2.402 180.054 177.584 0.115 0.000 1.176 273 A CA 1.951 54.023 52.037 0.059 0.000 0.631 273 A CB -0.694 18.343 19.000 0.063 0.000 0.814 273 A HN 0.286 nan 8.150 nan 0.000 0.446 274 S N -0.693 115.067 115.700 0.101 0.000 2.383 274 S HA -0.119 4.323 4.470 -0.045 0.000 0.227 274 S C 1.976 176.648 174.600 0.121 0.000 1.026 274 S CA 1.444 59.736 58.200 0.154 0.000 0.981 274 S CB -0.190 63.081 63.200 0.118 0.000 0.818 274 S HN 0.681 nan 8.310 nan 0.000 0.472 275 K N 1.572 122.008 120.400 0.060 0.000 2.002 275 K HA -0.077 4.216 4.320 -0.045 0.000 0.209 275 K C 2.311 178.914 176.600 0.004 0.000 1.048 275 K CA 1.195 57.509 56.287 0.044 0.000 0.930 275 K CB -0.420 32.113 32.500 0.054 0.000 0.714 275 K HN 0.268 nan 8.250 nan 0.000 0.438 276 A N 2.184 124.957 122.820 -0.078 0.000 1.873 276 A HA -0.227 4.066 4.320 -0.045 0.000 0.218 276 A C 2.166 179.633 177.584 -0.196 0.000 1.193 276 A CA 1.690 53.522 52.037 -0.342 0.000 0.629 276 A CB -0.976 17.661 19.000 -0.605 0.000 0.826 276 A HN 0.465 nan 8.150 nan 0.000 0.447 277 L N -0.273 120.800 121.223 -0.250 0.000 2.013 277 L HA -0.196 4.117 4.340 -0.045 0.000 0.212 277 L C 2.534 179.129 176.870 -0.459 0.000 1.073 277 L CA 2.771 57.158 54.840 -0.756 0.000 0.753 277 L CB -1.259 40.415 42.059 -0.642 0.000 0.890 277 L HN 0.474 nan 8.230 nan 0.000 0.432 278 T N -0.558 113.909 114.554 -0.145 0.000 2.720 278 T HA -0.163 4.160 4.350 -0.045 0.000 0.268 278 T C 2.036 176.660 174.700 -0.126 0.000 1.037 278 T CA 1.672 63.728 62.100 -0.073 0.000 1.144 278 T CB -0.187 68.743 68.868 0.103 0.000 0.864 278 T HN 0.371 nan 8.240 nan 0.000 0.444 279 S N 1.139 116.820 115.700 -0.032 0.000 2.382 279 S HA -0.005 4.438 4.470 -0.045 0.000 0.228 279 S C 2.563 177.202 174.600 0.064 0.000 1.027 279 S CA 0.885 59.084 58.200 -0.001 0.000 0.991 279 S CB -0.494 62.709 63.200 0.005 0.000 0.823 279 S HN 0.605 nan 8.310 nan 0.000 0.469 280 A N 2.182 125.006 122.820 0.007 0.000 1.902 280 A HA -0.101 4.191 4.320 -0.045 0.000 0.217 280 A C 2.169 179.685 177.584 -0.113 0.000 1.181 280 A CA 1.002 53.031 52.037 -0.013 0.000 0.623 280 A CB -0.373 18.528 19.000 -0.164 0.000 0.818 280 A HN 0.325 nan 8.150 nan 0.000 0.443 281 R N -1.390 118.951 120.500 -0.264 0.000 2.073 281 R HA -0.111 4.202 4.340 -0.045 0.000 0.234 281 R C 1.888 178.074 176.300 -0.190 0.000 1.134 281 R CA 1.462 57.370 56.100 -0.320 0.000 0.952 281 R CB -0.908 29.088 30.300 -0.507 0.000 0.850 281 R HN 0.529 nan 8.270 nan 0.000 0.433 282 F N 1.024 120.910 119.950 -0.107 0.000 2.095 282 F HA -0.188 4.312 4.527 -0.046 0.000 0.298 282 F C 2.633 178.411 175.800 -0.036 0.000 1.104 282 F CA 0.902 58.853 58.000 -0.082 0.000 1.232 282 F CB -1.057 37.862 39.000 -0.134 0.000 0.987 282 F HN -0.249 nan 8.300 nan 0.000 0.475 283 V N -0.394 119.631 119.914 0.184 0.000 2.287 283 V HA -0.286 3.806 4.120 -0.045 0.000 0.248 283 V C 2.365 178.520 176.094 0.101 0.000 1.053 283 V CA 1.487 63.875 62.300 0.146 0.000 1.027 283 V CB -0.718 31.200 31.823 0.159 0.000 0.646 283 V HN 0.197 nan 8.190 nan 0.000 0.447 284 L N 0.809 122.068 121.223 0.060 0.000 2.217 284 L HA -0.070 4.243 4.340 -0.045 0.000 0.211 284 L C 2.655 179.595 176.870 0.118 0.000 1.107 284 L CA 2.100 56.970 54.840 0.050 0.000 0.783 284 L CB -0.889 41.166 42.059 -0.006 0.000 0.919 284 L HN 0.562 nan 8.230 nan 0.000 0.442 285 S N -2.252 113.512 115.700 0.106 0.000 2.474 285 S HA -0.121 4.322 4.470 -0.045 0.000 0.235 285 S C 1.570 176.308 174.600 0.230 0.000 0.997 285 S CA 0.982 59.300 58.200 0.195 0.000 0.949 285 S CB -0.269 63.002 63.200 0.118 0.000 0.766 285 S HN 0.432 nan 8.310 nan 0.000 0.517 286 D N 1.040 121.538 120.400 0.164 0.000 2.240 286 D HA 0.092 4.704 4.640 -0.045 0.000 0.206 286 D C 1.743 178.106 176.300 0.105 0.000 0.963 286 D CA 0.678 54.754 54.000 0.125 0.000 0.863 286 D CB 0.156 41.017 40.800 0.102 0.000 0.973 286 D HN 0.302 nan 8.370 nan 0.000 0.501 287 K N 0.640 121.101 120.400 0.102 0.000 2.168 287 K HA 0.144 4.437 4.320 -0.045 0.000 0.201 287 K C 2.382 179.064 176.600 0.137 0.000 1.049 287 K CA 0.067 56.404 56.287 0.083 0.000 0.974 287 K CB -0.401 32.113 32.500 0.023 0.000 0.792 287 K HN 0.166 nan 8.250 nan 0.000 0.463 288 L N 1.285 122.591 121.223 0.138 0.000 2.093 288 L HA -0.104 4.209 4.340 -0.045 0.000 0.208 288 L C -0.701 176.238 176.870 0.115 0.000 1.085 288 L CA 0.996 55.940 54.840 0.173 0.000 0.755 288 L CB -1.735 40.500 42.059 0.293 0.000 0.904 288 L HN 0.041 nan 8.230 nan 0.000 0.435 289 P HA -0.272 nan 4.420 nan 0.000 0.219 289 P C 1.292 178.518 177.300 -0.123 0.000 1.159 289 P CA 1.643 64.607 63.100 -0.226 0.000 0.944 289 P CB 0.079 31.741 31.700 -0.063 0.000 0.792 290 E N -2.569 117.624 120.200 -0.012 0.000 2.338 290 E HA -0.159 4.164 4.350 -0.045 0.000 0.197 290 E C 1.705 178.271 176.600 -0.057 0.000 1.007 290 E CA 0.968 57.347 56.400 -0.036 0.000 0.849 290 E CB -0.699 28.964 29.700 -0.060 0.000 0.774 290 E HN 0.441 nan 8.360 nan 0.000 0.506 291 H N -1.660 117.406 119.070 -0.007 0.000 2.462 291 H HA 0.008 4.536 4.556 -0.047 0.000 0.292 291 H C 1.797 177.167 175.328 0.070 0.000 1.049 291 H CA 1.108 57.211 56.048 0.091 0.000 1.334 291 H CB 0.224 30.070 29.762 0.140 0.000 1.404 291 H HN 0.003 nan 8.280 nan 0.000 0.544 292 V N 0.238 120.199 119.914 0.079 0.000 2.255 292 V HA -0.252 3.841 4.120 -0.045 0.000 0.243 292 V C 2.622 178.704 176.094 -0.019 0.000 1.038 292 V CA 2.176 64.473 62.300 -0.005 0.000 1.008 292 V CB -0.934 30.754 31.823 -0.224 0.000 0.645 292 V HN 0.669 nan 8.190 nan 0.000 0.449 293 T N -2.391 112.119 114.554 -0.073 0.000 2.803 293 T HA -0.170 4.152 4.350 -0.045 0.000 0.269 293 T C 1.107 175.755 174.700 -0.087 0.000 1.052 293 T CA 0.730 62.770 62.100 -0.100 0.000 1.136 293 T CB -0.416 68.359 68.868 -0.154 0.000 0.864 293 T HN 0.150 nan 8.240 nan 0.000 0.467 294 M N 2.907 122.493 119.600 -0.023 0.000 2.261 294 M HA 0.142 4.595 4.480 -0.045 0.000 0.350 294 M C -2.390 173.962 176.300 0.088 0.000 1.343 294 M CA -1.710 53.628 55.300 0.063 0.000 1.003 294 M CB 0.199 32.927 32.600 0.214 0.000 1.848 294 M HN 0.028 nan 8.290 nan 0.000 0.456 295 P HA -0.001 nan 4.420 nan 0.000 0.263 295 P C -1.060 176.315 177.300 0.125 0.000 1.195 295 P CA 0.125 63.269 63.100 0.073 0.000 0.762 295 P CB 0.283 32.018 31.700 0.058 0.000 0.799 296 D N 2.308 122.763 120.400 0.092 0.000 2.372 296 D HA 0.448 5.060 4.640 -0.045 0.000 0.243 296 D C 0.851 177.211 176.300 0.099 0.000 1.121 296 D CA 0.077 54.133 54.000 0.094 0.000 0.898 296 D CB 1.161 41.990 40.800 0.049 0.000 1.202 296 D HN 0.425 nan 8.370 nan 0.000 0.428 297 G N 0.050 108.918 108.800 0.112 0.000 2.490 297 G HA2 0.198 4.131 3.960 -0.045 0.000 0.308 297 G HA3 0.198 4.131 3.960 -0.045 0.000 0.308 297 G C -0.817 174.154 174.900 0.117 0.000 1.286 297 G CA -0.508 44.665 45.100 0.123 0.000 0.825 297 G HN 0.263 nan 8.290 nan 0.000 0.479 298 D N -0.535 119.948 120.400 0.138 0.000 2.398 298 D HA 0.192 4.804 4.640 -0.045 0.000 0.210 298 D C 0.250 176.637 176.300 0.145 0.000 1.094 298 D CA -0.265 53.795 54.000 0.100 0.000 0.839 298 D CB 0.287 41.125 40.800 0.063 0.000 0.963 298 D HN 0.127 nan 8.370 nan 0.000 0.506 299 F N 2.068 122.105 119.950 0.146 0.000 2.578 299 F HA 0.099 4.597 4.527 -0.047 0.000 0.376 299 F C 0.554 176.528 175.800 0.290 0.000 1.085 299 F CA 0.077 58.190 58.000 0.188 0.000 1.260 299 F CB 0.672 39.767 39.000 0.158 0.000 1.095 299 F HN -0.294 nan 8.300 nan 0.000 0.573 300 S N 6.918 122.272 115.700 -0.576 0.000 2.659 300 S HA 0.401 4.844 4.470 -0.045 0.000 0.312 300 S C 0.933 175.309 174.600 -0.374 0.000 1.114 300 S CA -0.857 57.208 58.200 -0.224 0.000 1.063 300 S CB 0.575 63.686 63.200 -0.149 0.000 0.996 300 S HN 0.700 nan 8.310 nan 0.000 0.478 301 I N 4.556 125.154 120.570 0.046 0.000 2.361 301 I HA -0.167 3.976 4.170 -0.045 0.000 0.251 301 I C 2.558 178.816 176.117 0.234 0.000 1.133 301 I CA 0.993 62.415 61.300 0.204 0.000 1.413 301 I CB -0.149 37.992 38.000 0.235 0.000 1.073 301 I HN 0.660 nan 8.210 nan 0.000 0.424 302 R N 0.239 120.818 120.500 0.130 0.000 2.075 302 R HA -0.086 4.227 4.340 -0.045 0.000 0.232 302 R C 2.469 178.803 176.300 0.057 0.000 1.126 302 R CA 1.651 57.815 56.100 0.106 0.000 0.963 302 R CB -0.478 29.849 30.300 0.045 0.000 0.858 302 R HN 0.258 nan 8.270 nan 0.000 0.435 303 S N 0.419 116.113 115.700 -0.009 0.000 2.368 303 S HA -0.160 4.283 4.470 -0.045 0.000 0.224 303 S C 1.384 175.976 174.600 -0.013 0.000 1.029 303 S CA 0.977 59.153 58.200 -0.040 0.000 0.988 303 S CB -0.315 62.828 63.200 -0.095 0.000 0.838 303 S HN 0.477 nan 8.310 nan 0.000 0.462 304 W N 2.539 123.724 121.300 -0.192 0.000 2.338 304 W HA -0.080 4.551 4.660 -0.048 0.000 0.304 304 W C 1.563 178.091 176.519 0.015 0.000 1.212 304 W CA 1.107 58.407 57.345 -0.075 0.000 1.264 304 W CB -0.478 28.994 29.460 0.019 0.000 1.142 304 W HN 0.183 nan 8.180 nan 0.000 0.512 305 L N 0.391 121.648 121.223 0.057 0.000 2.191 305 L HA -0.178 4.135 4.340 -0.045 0.000 0.212 305 L C 2.271 179.025 176.870 -0.192 0.000 1.103 305 L CA 1.546 56.304 54.840 -0.137 0.000 0.769 305 L CB -0.666 41.457 42.059 0.108 0.000 0.908 305 L HN 0.085 nan 8.230 nan 0.000 0.438 306 E N -0.760 119.369 120.200 -0.118 0.000 2.170 306 E HA -0.119 4.204 4.350 -0.045 0.000 0.191 306 E C 0.481 177.003 176.600 -0.129 0.000 0.981 306 E CA 0.098 56.440 56.400 -0.097 0.000 0.830 306 E CB 0.076 29.747 29.700 -0.049 0.000 0.775 306 E HN 0.250 nan 8.360 nan 0.000 0.470 307 D N 1.136 121.433 120.400 -0.172 0.000 2.338 307 D HA 0.013 4.626 4.640 -0.045 0.000 0.255 307 D C -1.854 174.324 176.300 -0.202 0.000 1.237 307 D CA -2.170 51.738 54.000 -0.154 0.000 0.883 307 D CB 1.266 41.992 40.800 -0.124 0.000 1.087 307 D HN -0.182 nan 8.370 nan 0.000 0.485 308 P HA -0.079 nan 4.420 nan 0.000 0.219 308 P C 0.292 177.528 177.300 -0.106 0.000 1.146 308 P CA 0.834 63.862 63.100 -0.120 0.000 0.808 308 P CB 0.250 31.907 31.700 -0.072 0.000 0.779 309 N N -1.365 117.289 118.700 -0.078 0.000 2.376 309 N HA 0.155 4.868 4.740 -0.045 0.000 0.249 309 N C 1.311 176.811 175.510 -0.017 0.000 1.140 309 N CA -0.025 53.005 53.050 -0.034 0.000 0.870 309 N CB -0.592 37.892 38.487 -0.004 0.000 1.124 309 N HN -0.068 nan 8.380 nan 0.000 0.505 310 G N -0.978 107.759 108.800 -0.105 0.000 2.712 310 G HA2 0.332 4.265 3.960 -0.045 0.000 0.212 310 G HA3 0.332 4.265 3.960 -0.045 0.000 0.212 310 G C 0.874 175.898 174.900 0.207 0.000 1.142 310 G CA 0.308 45.382 45.100 -0.044 0.000 0.789 310 G HN 0.554 nan 8.290 nan 0.000 0.535 311 G N 0.139 109.010 108.800 0.120 0.000 2.512 311 G HA2 -0.221 3.711 3.960 -0.045 0.000 0.240 311 G HA3 -0.221 3.711 3.960 -0.045 0.000 0.240 311 G C -0.493 174.656 174.900 0.414 0.000 1.246 311 G CA -0.101 45.147 45.100 0.247 0.000 0.919 311 G HN 0.538 nan 8.290 nan 0.000 0.577 312 N N -0.479 118.496 118.700 0.458 0.000 2.402 312 N HA 0.711 5.423 4.740 -0.045 0.000 0.294 312 N C -0.721 174.948 175.510 0.265 0.000 1.203 312 N CA -0.606 52.710 53.050 0.444 0.000 0.838 312 N CB 1.855 40.425 38.487 0.138 0.000 1.306 312 N HN 0.657 nan 8.380 nan 0.000 0.510 313 L N 1.265 122.412 121.223 -0.126 0.000 2.333 313 L HA 0.517 4.830 4.340 -0.045 0.000 0.280 313 L C -1.403 175.187 176.870 -0.468 0.000 1.004 313 L CA -0.653 53.900 54.840 -0.479 0.000 0.820 313 L CB 0.650 42.084 42.059 -1.042 0.000 1.247 313 L HN 0.401 nan 8.230 nan 0.000 0.416 314 F N 5.523 125.339 119.950 -0.224 0.000 2.375 314 F HA 0.422 4.924 4.527 -0.042 0.000 0.361 314 F C 0.324 176.035 175.800 -0.149 0.000 1.117 314 F CA -0.394 57.530 58.000 -0.127 0.000 1.037 314 F CB 1.340 40.294 39.000 -0.078 0.000 1.192 314 F HN 0.232 nan 8.300 nan 0.000 0.452 315 I N 4.103 124.704 120.570 0.051 0.000 2.282 315 I HA 0.191 4.334 4.170 -0.045 0.000 0.290 315 I C 0.358 176.698 176.117 0.372 0.000 1.090 315 I CA -0.216 61.153 61.300 0.114 0.000 1.231 315 I CB 0.356 38.448 38.000 0.153 0.000 1.434 315 I HN 0.591 nan 8.210 nan 0.000 0.487 316 T N 2.174 116.932 114.554 0.340 0.000 2.948 316 T HA 0.773 5.096 4.350 -0.045 0.000 0.285 316 T C -0.950 174.082 174.700 0.553 0.000 1.019 316 T CA -0.635 61.656 62.100 0.319 0.000 1.013 316 T CB 2.056 71.020 68.868 0.159 0.000 1.117 316 T HN 0.658 nan 8.240 nan 0.000 0.533 317 W N -0.811 120.527 121.300 0.063 0.000 3.546 317 W HA 0.511 5.126 4.660 -0.075 0.000 0.291 317 W C -1.657 174.792 176.519 -0.116 0.000 1.199 317 W CA -1.223 56.127 57.345 0.008 0.000 1.159 317 W CB 0.576 30.067 29.460 0.052 0.000 1.333 317 W HN 0.830 nan 8.180 nan 0.000 0.570 318 R N 2.528 122.958 120.500 -0.116 0.000 2.442 318 R HA 0.111 4.424 4.340 -0.045 0.000 0.291 318 R C 0.845 177.104 176.300 -0.068 0.000 1.069 318 R CA -0.103 55.828 56.100 -0.283 0.000 1.022 318 R CB 1.013 31.063 30.300 -0.416 0.000 0.976 318 R HN 0.721 nan 8.270 nan 0.000 0.443 319 E N 1.571 121.682 120.200 -0.150 0.000 2.209 319 E HA -0.209 4.114 4.350 -0.045 0.000 0.196 319 E C 0.860 177.489 176.600 0.047 0.000 0.993 319 E CA 1.433 57.824 56.400 -0.015 0.000 0.819 319 E CB 0.081 29.736 29.700 -0.075 0.000 0.745 319 E HN 0.631 nan 8.360 nan 0.000 0.477 320 D N -0.386 120.002 120.400 -0.020 0.000 2.363 320 D HA -0.131 4.482 4.640 -0.045 0.000 0.226 320 D C 1.174 177.467 176.300 -0.012 0.000 1.020 320 D CA 0.603 54.591 54.000 -0.020 0.000 0.892 320 D CB -0.017 40.752 40.800 -0.052 0.000 0.900 320 D HN 0.210 nan 8.370 nan 0.000 0.531 321 M N -0.155 119.461 119.600 0.025 0.000 2.496 321 M HA 0.313 4.765 4.480 -0.045 0.000 0.330 321 M C 1.585 177.920 176.300 0.057 0.000 1.133 321 M CA -0.210 55.093 55.300 0.004 0.000 0.964 321 M CB 1.649 34.202 32.600 -0.079 0.000 1.401 321 M HN 0.062 nan 8.290 nan 0.000 0.520 322 G N 2.542 111.422 108.800 0.133 0.000 2.433 322 G HA2 -0.144 3.788 3.960 -0.045 0.000 0.216 322 G HA3 -0.144 3.788 3.960 -0.045 0.000 0.216 322 G C -0.595 174.275 174.900 -0.050 0.000 1.186 322 G CA 0.680 45.831 45.100 0.085 0.000 0.779 322 G HN 0.313 nan 8.290 nan 0.000 0.543 323 P HA -0.084 nan 4.420 nan 0.000 0.216 323 P C 1.946 179.220 177.300 -0.043 0.000 1.150 323 P CA 2.023 65.108 63.100 -0.025 0.000 0.837 323 P CB -0.148 31.550 31.700 -0.003 0.000 0.786 324 A N -0.211 122.585 122.820 -0.040 0.000 1.929 324 A HA -0.037 4.256 4.320 -0.045 0.000 0.216 324 A C 2.258 179.805 177.584 -0.062 0.000 1.176 324 A CA 1.097 53.116 52.037 -0.030 0.000 0.628 324 A CB -1.284 17.710 19.000 -0.010 0.000 0.816 324 A HN 0.180 nan 8.150 nan 0.000 0.444 325 L N -1.437 119.710 121.223 -0.127 0.000 2.607 325 L HA 0.170 4.483 4.340 -0.045 0.000 0.228 325 L C 2.232 178.911 176.870 -0.319 0.000 1.123 325 L CA 0.163 54.871 54.840 -0.219 0.000 0.890 325 L CB -0.249 41.655 42.059 -0.259 0.000 1.103 325 L HN 0.394 nan 8.230 nan 0.000 0.468 326 R N 1.630 121.975 120.500 -0.258 0.000 2.113 326 R HA -0.177 4.136 4.340 -0.045 0.000 0.244 326 R C -0.431 175.750 176.300 -0.198 0.000 1.142 326 R CA 2.187 58.144 56.100 -0.238 0.000 0.953 326 R CB -1.049 29.170 30.300 -0.135 0.000 0.860 326 R HN 0.228 nan 8.270 nan 0.000 0.438 327 P HA -0.184 nan 4.420 nan 0.000 0.217 327 P C 1.574 178.787 177.300 -0.145 0.000 1.150 327 P CA 1.237 64.282 63.100 -0.092 0.000 0.832 327 P CB -0.131 31.558 31.700 -0.018 0.000 0.787 328 L N -0.656 120.392 121.223 -0.293 0.000 2.027 328 L HA -0.113 4.200 4.340 -0.045 0.000 0.206 328 L C 2.709 179.113 176.870 -0.777 0.000 1.074 328 L CA 1.444 55.894 54.840 -0.650 0.000 0.745 328 L CB -0.579 40.979 42.059 -0.835 0.000 0.898 328 L HN -0.165 nan 8.230 nan 0.000 0.433 329 I N -0.942 119.310 120.570 -0.530 0.000 2.286 329 I HA -0.291 3.852 4.170 -0.045 0.000 0.248 329 I C 2.513 178.552 176.117 -0.129 0.000 1.115 329 I CA 1.123 62.256 61.300 -0.278 0.000 1.392 329 I CB -0.230 37.516 38.000 -0.424 0.000 1.065 329 I HN 0.181 nan 8.210 nan 0.000 0.418 330 S N 0.734 116.343 115.700 -0.153 0.000 2.382 330 S HA -0.148 4.295 4.470 -0.045 0.000 0.228 330 S C 2.273 176.869 174.600 -0.007 0.000 1.027 330 S CA 1.253 59.421 58.200 -0.052 0.000 0.991 330 S CB -0.350 62.814 63.200 -0.060 0.000 0.823 330 S HN 0.548 nan 8.310 nan 0.000 0.469 331 A N 1.390 124.175 122.820 -0.059 0.000 1.877 331 A HA -0.113 4.180 4.320 -0.045 0.000 0.216 331 A C 1.886 179.536 177.584 0.110 0.000 1.186 331 A CA 1.242 53.298 52.037 0.031 0.000 0.620 331 A CB -0.895 18.145 19.000 0.066 0.000 0.822 331 A HN 0.608 nan 8.150 nan 0.000 0.443 332 W N 0.107 121.367 121.300 -0.067 0.000 2.335 332 W HA -0.123 4.503 4.660 -0.057 0.000 0.311 332 W C 2.383 178.884 176.519 -0.030 0.000 1.213 332 W CA 1.233 58.489 57.345 -0.147 0.000 1.274 332 W CB -1.362 27.935 29.460 -0.272 0.000 1.148 332 W HN 0.193 nan 8.180 nan 0.000 0.498 333 V N 0.342 120.390 119.914 0.223 0.000 2.295 333 V HA -0.302 3.791 4.120 -0.045 0.000 0.246 333 V C 2.211 178.399 176.094 0.155 0.000 1.049 333 V CA 2.381 64.781 62.300 0.168 0.000 1.024 333 V CB -0.986 30.921 31.823 0.139 0.000 0.648 333 V HN 0.139 nan 8.190 nan 0.000 0.447 334 D N 0.092 120.576 120.400 0.141 0.000 2.144 334 D HA -0.144 4.469 4.640 -0.045 0.000 0.199 334 D C 2.107 178.502 176.300 0.157 0.000 0.984 334 D CA 1.537 55.609 54.000 0.120 0.000 0.834 334 D CB 0.172 41.024 40.800 0.086 0.000 0.955 334 D HN 0.318 nan 8.370 nan 0.000 0.465 335 V N 0.732 120.800 119.914 0.255 0.000 2.392 335 V HA -0.228 3.865 4.120 -0.045 0.000 0.249 335 V C 2.749 179.038 176.094 0.324 0.000 1.059 335 V CA 0.972 63.514 62.300 0.403 0.000 1.051 335 V CB -0.381 31.760 31.823 0.529 0.000 0.658 335 V HN 0.113 nan 8.190 nan 0.000 0.455 336 V N -0.888 119.171 119.914 0.242 0.000 2.295 336 V HA -0.294 3.798 4.120 -0.045 0.000 0.246 336 V C 2.550 178.744 176.094 0.166 0.000 1.049 336 V CA 2.316 64.742 62.300 0.210 0.000 1.024 336 V CB -0.756 31.175 31.823 0.180 0.000 0.648 336 V HN 0.658 nan 8.190 nan 0.000 0.447 337 C N 0.195 119.571 119.300 0.127 0.000 2.413 337 C HA -0.168 4.265 4.460 -0.045 0.000 0.277 337 C C 2.907 177.933 174.990 0.061 0.000 1.265 337 C CA 1.776 60.839 59.018 0.076 0.000 1.752 337 C CB -1.414 26.359 27.740 0.054 0.000 1.998 337 C HN 0.716 nan 8.230 nan 0.000 0.489 338 T N 0.161 114.753 114.554 0.063 0.000 2.852 338 T HA -0.078 4.245 4.350 -0.045 0.000 0.256 338 T C 1.950 176.713 174.700 0.105 0.000 1.038 338 T CA 1.466 63.583 62.100 0.028 0.000 1.141 338 T CB -0.477 68.324 68.868 -0.111 0.000 0.869 338 T HN 0.506 nan 8.240 nan 0.000 0.439 339 S N 2.496 118.316 115.700 0.200 0.000 2.380 339 S HA -0.120 4.323 4.470 -0.045 0.000 0.229 339 S C 2.122 176.817 174.600 0.158 0.000 1.043 339 S CA 1.334 59.680 58.200 0.243 0.000 1.038 339 S CB -0.618 62.761 63.200 0.297 0.000 0.872 339 S HN 0.642 nan 8.310 nan 0.000 0.456 340 I N -0.059 120.588 120.570 0.128 0.000 2.916 340 I HA 0.006 4.149 4.170 -0.045 0.000 0.267 340 I C 1.375 177.528 176.117 0.061 0.000 1.263 340 I CA 1.233 62.584 61.300 0.087 0.000 1.471 340 I CB -0.911 37.132 38.000 0.071 0.000 1.089 340 I HN 0.159 nan 8.210 nan 0.000 0.468 341 L N 0.879 122.142 121.223 0.066 0.000 2.492 341 L HA 0.111 4.424 4.340 -0.045 0.000 0.223 341 L C 2.290 179.195 176.870 0.058 0.000 1.132 341 L CA 1.114 55.982 54.840 0.047 0.000 0.850 341 L CB -0.628 41.453 42.059 0.036 0.000 0.966 341 L HN 0.185 nan 8.230 nan 0.000 0.454 342 S N -1.304 114.447 115.700 0.086 0.000 2.517 342 S HA 0.248 4.691 4.470 -0.045 0.000 0.214 342 S C 0.790 175.429 174.600 0.066 0.000 0.991 342 S CA -0.388 57.869 58.200 0.095 0.000 0.906 342 S CB 0.092 63.377 63.200 0.141 0.000 0.789 342 S HN 0.141 nan 8.310 nan 0.000 0.513 343 L N 4.268 125.523 121.223 0.052 0.000 2.540 343 L HA 0.131 4.444 4.340 -0.045 0.000 0.276 343 L C -1.867 175.013 176.870 0.015 0.000 1.212 343 L CA -1.265 53.593 54.840 0.029 0.000 0.893 343 L CB -0.157 41.913 42.059 0.018 0.000 1.138 343 L HN 0.084 nan 8.230 nan 0.000 0.491 344 P HA -0.031 nan 4.420 nan 0.000 0.268 344 P C -0.407 176.889 177.300 -0.007 0.000 1.204 344 P CA -0.283 62.819 63.100 0.003 0.000 0.768 344 P CB 0.590 32.290 31.700 0.000 0.000 0.842 345 E N 1.939 122.134 120.200 -0.008 0.000 2.558 345 E HA -0.106 4.217 4.350 -0.045 0.000 0.255 345 E C -0.402 176.187 176.600 -0.020 0.000 0.968 345 E CA 0.362 56.753 56.400 -0.015 0.000 0.939 345 E CB 0.206 29.897 29.700 -0.015 0.000 0.921 345 E HN 0.297 nan 8.360 nan 0.000 0.477 346 E N 5.796 125.980 120.200 -0.026 0.000 2.502 346 E HA 0.267 4.590 4.350 -0.045 0.000 0.261 346 E C -2.415 174.163 176.600 -0.035 0.000 0.974 346 E CA -2.124 54.258 56.400 -0.030 0.000 0.795 346 E CB 1.379 31.059 29.700 -0.033 0.000 1.385 346 E HN 0.289 nan 8.360 nan 0.000 0.400 347 P HA -0.178 nan 4.420 nan 0.000 0.217 347 P C 0.722 177.999 177.300 -0.040 0.000 1.148 347 P CA 0.995 64.072 63.100 -0.037 0.000 0.828 347 P CB 0.365 32.047 31.700 -0.031 0.000 0.783 348 K N -0.883 119.497 120.400 -0.034 0.000 2.296 348 K HA -0.024 4.269 4.320 -0.045 0.000 0.200 348 K C 1.128 177.706 176.600 -0.037 0.000 1.048 348 K CA 0.272 56.540 56.287 -0.032 0.000 0.966 348 K CB -0.325 32.159 32.500 -0.026 0.000 0.754 348 K HN 0.208 nan 8.250 nan 0.000 0.466 349 R N 1.531 122.004 120.500 -0.045 0.000 2.537 349 R HA 0.059 4.371 4.340 -0.045 0.000 0.280 349 R C -0.623 175.637 176.300 -0.067 0.000 1.058 349 R CA 0.293 56.361 56.100 -0.052 0.000 1.057 349 R CB 0.407 30.673 30.300 -0.056 0.000 0.973 349 R HN -0.081 nan 8.270 nan 0.000 0.438 350 R N 4.734 125.198 120.500 -0.059 0.000 2.521 350 R HA 0.309 4.621 4.340 -0.045 0.000 0.295 350 R C -1.323 174.937 176.300 -0.066 0.000 1.183 350 R CA -0.603 55.438 56.100 -0.099 0.000 0.957 350 R CB 1.433 31.705 30.300 -0.047 0.000 1.171 350 R HN 0.387 nan 8.270 nan 0.000 0.494 351 L N 3.886 125.036 121.223 -0.122 0.000 2.333 351 L HA 0.518 4.830 4.340 -0.045 0.000 0.280 351 L C -1.239 175.591 176.870 -0.068 0.000 1.004 351 L CA -0.563 54.273 54.840 -0.006 0.000 0.820 351 L CB 1.043 43.116 42.059 0.024 0.000 1.247 351 L HN 0.626 nan 8.230 nan 0.000 0.416 352 W N 5.478 126.840 121.300 0.103 0.000 2.438 352 W HA 0.496 5.116 4.660 -0.067 0.000 0.324 352 W C -0.270 176.313 176.519 0.106 0.000 1.119 352 W CA -0.356 57.030 57.345 0.068 0.000 1.221 352 W CB 1.352 30.935 29.460 0.204 0.000 1.253 352 W HN 0.257 nan 8.180 nan 0.000 0.555 353 L N 4.264 125.611 121.223 0.207 0.000 2.345 353 L HA 0.449 4.761 4.340 -0.045 0.000 0.274 353 L C -1.532 175.404 176.870 0.110 0.000 0.999 353 L CA -0.784 54.173 54.840 0.194 0.000 0.849 353 L CB 0.285 42.421 42.059 0.129 0.000 1.220 353 L HN 0.294 nan 8.230 nan 0.000 0.422 354 F N 5.587 125.645 119.950 0.180 0.000 2.350 354 F HA 0.390 4.888 4.527 -0.049 0.000 0.365 354 F C 0.409 176.289 175.800 0.134 0.000 1.122 354 F CA -0.280 57.808 58.000 0.148 0.000 1.139 354 F CB 0.973 40.015 39.000 0.069 0.000 1.220 354 F HN 0.254 nan 8.300 nan 0.000 0.499 355 I N 3.777 124.494 120.570 0.244 0.000 2.337 355 I HA 0.105 4.248 4.170 -0.045 0.000 0.285 355 I C 0.887 177.124 176.117 0.200 0.000 1.041 355 I CA -0.391 61.038 61.300 0.216 0.000 1.199 355 I CB 0.930 39.035 38.000 0.175 0.000 1.370 355 I HN 0.550 nan 8.210 nan 0.000 0.470 356 D N 4.854 125.388 120.400 0.224 0.000 2.435 356 D HA -0.293 4.320 4.640 -0.045 0.000 0.206 356 D C 0.777 177.160 176.300 0.138 0.000 1.055 356 D CA 1.893 56.000 54.000 0.179 0.000 0.908 356 D CB 0.338 41.248 40.800 0.184 0.000 1.151 356 D HN 0.529 nan 8.370 nan 0.000 0.479 357 E N -0.771 119.522 120.200 0.154 0.000 2.141 357 E HA 0.201 4.524 4.350 -0.045 0.000 0.259 357 E C 0.355 177.026 176.600 0.118 0.000 0.883 357 E CA -0.465 56.003 56.400 0.113 0.000 0.744 357 E CB 0.875 30.643 29.700 0.113 0.000 1.150 357 E HN 0.264 nan 8.360 nan 0.000 0.420 358 L N 4.464 125.736 121.223 0.082 0.000 2.013 358 L HA -0.061 4.252 4.340 -0.045 0.000 0.212 358 L C 1.724 178.681 176.870 0.145 0.000 1.073 358 L CA 2.676 57.576 54.840 0.100 0.000 0.753 358 L CB -0.692 41.384 42.059 0.028 0.000 0.890 358 L HN 0.688 nan 8.230 nan 0.000 0.432 359 A N -2.425 120.465 122.820 0.116 0.000 2.255 359 A HA 0.026 4.319 4.320 -0.045 0.000 0.206 359 A C 2.156 179.805 177.584 0.109 0.000 1.193 359 A CA 1.120 53.239 52.037 0.137 0.000 0.794 359 A CB -0.499 18.559 19.000 0.097 0.000 0.794 359 A HN 0.469 nan 8.150 nan 0.000 0.481 360 S N -0.770 114.995 115.700 0.108 0.000 2.524 360 S HA 0.342 4.785 4.470 -0.045 0.000 0.215 360 S C 0.565 175.199 174.600 0.056 0.000 0.986 360 S CA -0.250 58.004 58.200 0.091 0.000 0.911 360 S CB -0.101 63.179 63.200 0.133 0.000 0.805 360 S HN 0.490 nan 8.310 nan 0.000 0.501 361 L N 1.293 122.558 121.223 0.070 0.000 2.431 361 L HA 0.448 4.760 4.340 -0.045 0.000 0.260 361 L C 0.642 177.512 176.870 -0.001 0.000 1.098 361 L CA -0.640 54.216 54.840 0.027 0.000 0.800 361 L CB 0.694 42.797 42.059 0.072 0.000 1.210 361 L HN 0.092 nan 8.230 nan 0.000 0.465 362 E N 0.380 120.551 120.200 -0.048 0.000 2.376 362 E HA 0.019 4.342 4.350 -0.045 0.000 0.254 362 E C -0.336 176.143 176.600 -0.203 0.000 1.213 362 E CA -0.399 55.938 56.400 -0.106 0.000 0.945 362 E CB 0.632 30.278 29.700 -0.090 0.000 1.057 362 E HN 0.275 nan 8.360 nan 0.000 0.479 363 K N 2.384 122.566 120.400 -0.363 0.000 2.165 363 K HA 0.040 4.333 4.320 -0.045 0.000 0.270 363 K C -0.690 175.720 176.600 -0.317 0.000 1.091 363 K CA -0.062 55.800 56.287 -0.709 0.000 1.019 363 K CB -0.474 31.654 32.500 -0.619 0.000 1.101 363 K HN 0.388 nan 8.250 nan 0.000 0.397 364 L N 4.195 125.361 121.223 -0.094 0.000 2.477 364 L HA 0.004 4.316 4.340 -0.045 0.000 0.272 364 L C 1.506 178.435 176.870 0.099 0.000 1.157 364 L CA -0.367 54.518 54.840 0.075 0.000 0.889 364 L CB 0.828 42.990 42.059 0.172 0.000 1.158 364 L HN 0.753 nan 8.230 nan 0.000 0.473 365 A N 2.492 125.333 122.820 0.035 0.000 2.014 365 A HA -0.080 4.213 4.320 -0.045 0.000 0.218 365 A C 1.894 179.493 177.584 0.025 0.000 1.163 365 A CA 1.556 53.606 52.037 0.022 0.000 0.652 365 A CB -0.089 18.905 19.000 -0.010 0.000 0.808 365 A HN 0.776 nan 8.150 nan 0.000 0.449 366 S N -0.988 114.728 115.700 0.027 0.000 2.559 366 S HA 0.259 4.701 4.470 -0.045 0.000 0.226 366 S C 1.425 176.033 174.600 0.014 0.000 1.000 366 S CA -0.166 58.040 58.200 0.010 0.000 0.948 366 S CB -0.031 63.165 63.200 -0.007 0.000 0.870 366 S HN 0.437 nan 8.310 nan 0.000 0.497 367 L N 1.943 123.192 121.223 0.043 0.000 1.989 367 L HA -0.207 4.106 4.340 -0.045 0.000 0.211 367 L C 2.759 179.596 176.870 -0.054 0.000 1.071 367 L CA 1.812 56.661 54.840 0.016 0.000 0.749 367 L CB -0.760 41.345 42.059 0.076 0.000 0.890 367 L HN 0.432 nan 8.230 nan 0.000 0.431 368 A N -0.140 122.663 122.820 -0.028 0.000 1.869 368 A HA -0.326 3.967 4.320 -0.045 0.000 0.218 368 A C 1.913 179.446 177.584 -0.084 0.000 1.203 368 A CA 2.368 54.366 52.037 -0.066 0.000 0.638 368 A CB -0.931 18.057 19.000 -0.020 0.000 0.831 368 A HN 0.532 nan 8.150 nan 0.000 0.450 369 D N -0.310 120.059 120.400 -0.051 0.000 2.123 369 D HA -0.081 4.532 4.640 -0.045 0.000 0.196 369 D C 2.280 178.541 176.300 -0.065 0.000 0.992 369 D CA 1.527 55.498 54.000 -0.049 0.000 0.833 369 D CB -0.440 40.342 40.800 -0.031 0.000 0.954 369 D HN 0.454 nan 8.370 nan 0.000 0.455 370 A N 0.922 123.699 122.820 -0.071 0.000 1.908 370 A HA -0.138 4.155 4.320 -0.045 0.000 0.218 370 A C 2.370 179.859 177.584 -0.159 0.000 1.181 370 A CA 0.952 52.940 52.037 -0.082 0.000 0.627 370 A CB -0.786 18.174 19.000 -0.066 0.000 0.818 370 A HN 0.227 nan 8.150 nan 0.000 0.445 371 L N -1.075 119.977 121.223 -0.286 0.000 2.465 371 L HA -0.060 4.253 4.340 -0.045 0.000 0.224 371 L C 2.146 178.904 176.870 -0.187 0.000 1.145 371 L CA 1.291 55.817 54.840 -0.522 0.000 0.834 371 L CB -0.236 41.399 42.059 -0.706 0.000 0.944 371 L HN 0.340 nan 8.230 nan 0.000 0.451 372 T N -1.595 112.892 114.554 -0.111 0.000 3.000 372 T HA 0.059 4.382 4.350 -0.045 0.000 0.248 372 T C 1.363 176.046 174.700 -0.029 0.000 1.034 372 T CA 0.457 62.524 62.100 -0.055 0.000 1.060 372 T CB 0.416 69.247 68.868 -0.060 0.000 0.983 372 T HN 0.160 nan 8.240 nan 0.000 0.482 373 K N 0.538 120.920 120.400 -0.030 0.000 2.469 373 K HA 0.319 4.612 4.320 -0.045 0.000 0.204 373 K C 1.505 178.096 176.600 -0.015 0.000 1.047 373 K CA -0.178 56.096 56.287 -0.022 0.000 1.072 373 K CB 0.950 33.435 32.500 -0.024 0.000 0.863 373 K HN 0.149 nan 8.250 nan 0.000 0.530 374 G N 0.828 109.625 108.800 -0.005 0.000 3.088 374 G HA2 -0.110 3.823 3.960 -0.045 0.000 0.212 374 G HA3 -0.110 3.823 3.960 -0.045 0.000 0.212 374 G C 1.283 176.170 174.900 -0.021 0.000 1.173 374 G CA -0.137 44.961 45.100 -0.002 0.000 0.779 374 G HN 0.016 nan 8.290 nan 0.000 0.540 375 R N 1.165 121.645 120.500 -0.033 0.000 2.080 375 R HA -0.061 4.251 4.340 -0.045 0.000 0.236 375 R C 2.199 178.461 176.300 -0.063 0.000 1.137 375 R CA 1.112 57.172 56.100 -0.066 0.000 0.943 375 R CB -0.162 30.100 30.300 -0.064 0.000 0.846 375 R HN 0.098 nan 8.270 nan 0.000 0.431 376 K N 0.165 120.538 120.400 -0.045 0.000 2.147 376 K HA -0.061 4.232 4.320 -0.045 0.000 0.205 376 K C 1.832 178.408 176.600 -0.039 0.000 1.049 376 K CA 1.329 57.593 56.287 -0.039 0.000 0.936 376 K CB -0.368 32.116 32.500 -0.027 0.000 0.722 376 K HN 0.245 nan 8.250 nan 0.000 0.446 377 A N 0.126 122.925 122.820 -0.035 0.000 2.169 377 A HA 0.220 4.513 4.320 -0.045 0.000 0.212 377 A C 1.326 178.878 177.584 -0.053 0.000 1.153 377 A CA 1.052 53.070 52.037 -0.031 0.000 0.756 377 A CB -0.276 18.717 19.000 -0.011 0.000 0.813 377 A HN 0.363 nan 8.150 nan 0.000 0.471 378 G N -1.056 107.698 108.800 -0.077 0.000 2.160 378 G HA2 -0.192 3.741 3.960 -0.045 0.000 0.244 378 G HA3 -0.192 3.741 3.960 -0.045 0.000 0.244 378 G C 0.036 174.838 174.900 -0.162 0.000 1.022 378 G CA 0.247 45.273 45.100 -0.122 0.000 0.741 378 G HN 0.540 nan 8.290 nan 0.000 0.508 379 L N -0.250 120.905 121.223 -0.114 0.000 2.380 379 L HA 0.620 4.933 4.340 -0.045 0.000 0.273 379 L C 0.578 177.352 176.870 -0.160 0.000 1.138 379 L CA -0.256 54.527 54.840 -0.095 0.000 0.832 379 L CB 0.581 42.641 42.059 0.001 0.000 1.124 379 L HN 0.314 nan 8.230 nan 0.000 0.454 380 R N 3.485 123.829 120.500 -0.260 0.000 2.500 380 R HA 0.469 4.782 4.340 -0.045 0.000 0.299 380 R C -1.370 174.883 176.300 -0.079 0.000 1.038 380 R CA -0.575 55.283 56.100 -0.404 0.000 0.903 380 R CB 2.142 31.674 30.300 -1.280 0.000 1.177 380 R HN 0.318 nan 8.270 nan 0.000 0.455 381 V N 3.552 123.650 119.914 0.308 0.000 2.483 381 V HA 0.494 4.587 4.120 -0.045 0.000 0.295 381 V C -0.231 176.035 176.094 0.287 0.000 1.035 381 V CA -0.806 61.615 62.300 0.202 0.000 0.896 381 V CB 1.984 33.836 31.823 0.048 0.000 0.986 381 V HN 0.413 nan 8.190 nan 0.000 0.447 382 V N 3.692 123.666 119.914 0.100 0.000 2.483 382 V HA 0.860 4.953 4.120 -0.045 0.000 0.297 382 V C 0.115 176.250 176.094 0.069 0.000 1.027 382 V CA -0.323 62.017 62.300 0.066 0.000 0.855 382 V CB 1.505 33.209 31.823 -0.199 0.000 0.995 382 V HN 1.054 nan 8.190 nan 0.000 0.424 383 A N 3.459 126.277 122.820 -0.003 0.000 2.454 383 A HA 0.960 5.253 4.320 -0.045 0.000 0.302 383 A C 0.006 177.516 177.584 -0.123 0.000 1.079 383 A CA -0.279 51.713 52.037 -0.074 0.000 0.731 383 A CB 1.946 20.832 19.000 -0.191 0.000 1.299 383 A HN 1.045 nan 8.150 nan 0.000 0.413 384 G N 0.166 108.940 108.800 -0.042 0.000 2.388 384 G HA2 0.588 4.520 3.960 -0.045 0.000 0.330 384 G HA3 0.588 4.520 3.960 -0.045 0.000 0.330 384 G C -1.313 173.558 174.900 -0.048 0.000 1.142 384 G CA -0.229 44.852 45.100 -0.032 0.000 0.908 384 G HN 0.494 nan 8.290 nan 0.000 0.473 385 L N 0.223 121.412 121.223 -0.056 0.000 2.376 385 L HA 0.548 4.861 4.340 -0.045 0.000 0.258 385 L C 0.568 177.426 176.870 -0.019 0.000 1.013 385 L CA -0.599 54.214 54.840 -0.046 0.000 0.822 385 L CB 2.072 44.078 42.059 -0.088 0.000 1.388 385 L HN 0.761 nan 8.230 nan 0.000 0.413 386 Q N -0.393 119.403 119.800 -0.006 0.000 1.981 386 Q HA 0.372 4.685 4.340 -0.045 0.000 0.157 386 Q C -0.487 175.514 176.000 0.001 0.000 0.503 386 Q CA -0.431 55.374 55.803 0.003 0.000 0.695 386 Q CB 0.419 29.165 28.738 0.013 0.000 1.038 386 Q HN 0.598 nan 8.270 nan 0.000 0.388 387 S N 1.196 116.901 115.700 0.007 0.000 2.513 387 S HA 0.123 4.566 4.470 -0.045 0.000 0.276 387 S C 0.720 175.324 174.600 0.006 0.000 1.254 387 S CA -0.264 57.940 58.200 0.007 0.000 1.053 387 S CB 1.418 64.624 63.200 0.011 0.000 0.958 387 S HN 0.293 nan 8.310 nan 0.000 0.491 388 T N 2.853 117.408 114.554 0.002 0.000 2.737 388 T HA -0.177 4.146 4.350 -0.045 0.000 0.269 388 T C 2.204 176.911 174.700 0.011 0.000 1.040 388 T CA 1.958 64.058 62.100 0.001 0.000 1.142 388 T CB -0.404 68.463 68.868 -0.001 0.000 0.861 388 T HN 0.808 nan 8.240 nan 0.000 0.456 389 S N 1.155 116.863 115.700 0.014 0.000 2.447 389 S HA -0.124 4.319 4.470 -0.045 0.000 0.233 389 S C 1.998 176.615 174.600 0.030 0.000 1.006 389 S CA 0.702 58.913 58.200 0.020 0.000 0.957 389 S CB -0.400 62.809 63.200 0.015 0.000 0.773 389 S HN 0.506 nan 8.310 nan 0.000 0.507 390 Q N 0.251 120.069 119.800 0.031 0.000 1.993 390 Q HA -0.033 4.280 4.340 -0.045 0.000 0.202 390 Q C 2.215 178.258 176.000 0.070 0.000 0.984 390 Q CA 1.570 57.399 55.803 0.044 0.000 0.837 390 Q CB -0.312 28.451 28.738 0.041 0.000 0.902 390 Q HN 0.514 nan 8.270 nan 0.000 0.423 391 L N 1.214 122.478 121.223 0.069 0.000 2.083 391 L HA -0.178 4.134 4.340 -0.045 0.000 0.209 391 L C 1.432 178.384 176.870 0.136 0.000 1.083 391 L CA 1.823 56.731 54.840 0.113 0.000 0.752 391 L CB -0.402 41.672 42.059 0.026 0.000 0.899 391 L HN 0.149 nan 8.230 nan 0.000 0.433 392 D N -0.681 119.765 120.400 0.076 0.000 2.182 392 D HA -0.204 4.409 4.640 -0.045 0.000 0.201 392 D C 1.767 178.111 176.300 0.073 0.000 0.986 392 D CA 1.363 55.404 54.000 0.069 0.000 0.847 392 D CB -0.049 40.774 40.800 0.038 0.000 0.942 392 D HN 0.449 nan 8.370 nan 0.000 0.467 393 D N -0.873 119.565 120.400 0.065 0.000 2.213 393 D HA -0.054 4.559 4.640 -0.045 0.000 0.205 393 D C 1.939 178.262 176.300 0.039 0.000 0.961 393 D CA 0.323 54.348 54.000 0.042 0.000 0.853 393 D CB 0.391 41.209 40.800 0.030 0.000 0.967 393 D HN -0.042 nan 8.370 nan 0.000 0.496 394 V N -0.242 119.718 119.914 0.077 0.000 2.302 394 V HA -0.168 3.925 4.120 -0.045 0.000 0.243 394 V C 1.553 177.608 176.094 -0.064 0.000 1.036 394 V CA 1.359 63.664 62.300 0.010 0.000 1.020 394 V CB -0.588 31.276 31.823 0.068 0.000 0.657 394 V HN 0.232 nan 8.190 nan 0.000 0.453 395 Y N 0.371 120.671 120.300 -0.001 0.000 2.497 395 Y HA 0.532 5.054 4.550 -0.047 0.000 0.265 395 Y C 1.309 177.203 175.900 -0.009 0.000 1.111 395 Y CA 0.375 58.473 58.100 -0.003 0.000 1.288 395 Y CB 0.149 38.613 38.460 0.007 0.000 1.082 395 Y HN 0.366 nan 8.280 nan 0.000 0.536 396 G N -0.533 108.348 108.800 0.134 0.000 2.675 396 G HA2 -0.163 3.770 3.960 -0.045 0.000 0.686 396 G HA3 -0.163 3.770 3.960 -0.045 0.000 0.686 396 G C 0.377 175.319 174.900 0.070 0.000 1.215 396 G CA -0.516 44.625 45.100 0.069 0.000 0.777 396 G HN -0.062 nan 8.290 nan 0.000 0.638 397 V N 1.854 121.792 119.914 0.040 0.000 2.324 397 V HA -0.224 3.869 4.120 -0.045 0.000 0.250 397 V C 3.007 179.117 176.094 0.026 0.000 1.060 397 V CA 2.684 65.001 62.300 0.029 0.000 1.042 397 V CB -0.504 31.329 31.823 0.017 0.000 0.650 397 V HN 0.747 nan 8.190 nan 0.000 0.450 398 K N 0.227 120.642 120.400 0.025 0.000 2.001 398 K HA -0.144 4.148 4.320 -0.045 0.000 0.208 398 K C 2.073 178.688 176.600 0.024 0.000 1.048 398 K CA 1.632 57.931 56.287 0.019 0.000 0.932 398 K CB -0.528 31.981 32.500 0.014 0.000 0.715 398 K HN 0.613 nan 8.250 nan 0.000 0.437 399 E N 0.646 120.874 120.200 0.047 0.000 2.150 399 E HA -0.105 4.217 4.350 -0.045 0.000 0.193 399 E C 1.995 178.603 176.600 0.012 0.000 0.985 399 E CA 0.856 57.291 56.400 0.059 0.000 0.814 399 E CB -0.099 29.684 29.700 0.138 0.000 0.752 399 E HN 0.277 nan 8.360 nan 0.000 0.466 400 A N 1.581 124.415 122.820 0.024 0.000 1.877 400 A HA -0.278 4.015 4.320 -0.045 0.000 0.216 400 A C 2.179 179.737 177.584 -0.043 0.000 1.186 400 A CA 1.613 53.624 52.037 -0.044 0.000 0.620 400 A CB -0.545 18.465 19.000 0.016 0.000 0.822 400 A HN 0.218 nan 8.150 nan 0.000 0.443 401 Q N -0.788 119.005 119.800 -0.010 0.000 2.096 401 Q HA -0.180 4.133 4.340 -0.045 0.000 0.204 401 Q C 2.015 178.013 176.000 -0.003 0.000 0.982 401 Q CA 2.199 58.000 55.803 -0.003 0.000 0.850 401 Q CB -0.287 28.453 28.738 0.003 0.000 0.901 401 Q HN 0.615 nan 8.270 nan 0.000 0.422 402 T N 1.387 115.934 114.554 -0.010 0.000 2.821 402 T HA -0.137 4.186 4.350 -0.045 0.000 0.267 402 T C 1.727 176.412 174.700 -0.025 0.000 1.046 402 T CA 1.046 63.138 62.100 -0.014 0.000 1.139 402 T CB -0.213 68.647 68.868 -0.013 0.000 0.871 402 T HN 0.187 nan 8.240 nan 0.000 0.454 403 L N 1.200 122.389 121.223 -0.056 0.000 1.976 403 L HA 0.005 4.318 4.340 -0.045 0.000 0.209 403 L C 2.583 179.508 176.870 0.092 0.000 1.071 403 L CA 1.732 56.533 54.840 -0.065 0.000 0.746 403 L CB -0.400 41.511 42.059 -0.247 0.000 0.890 403 L HN 0.040 nan 8.230 nan 0.000 0.432 404 R N -0.707 119.841 120.500 0.080 0.000 2.117 404 R HA -0.150 4.163 4.340 -0.045 0.000 0.243 404 R C 2.031 178.456 176.300 0.208 0.000 1.143 404 R CA 1.282 57.478 56.100 0.161 0.000 0.968 404 R CB -0.640 29.680 30.300 0.034 0.000 0.863 404 R HN 0.520 nan 8.270 nan 0.000 0.444 405 A N 0.146 123.026 122.820 0.100 0.000 2.216 405 A HA -0.039 4.254 4.320 -0.045 0.000 0.214 405 A C 1.738 179.356 177.584 0.057 0.000 1.160 405 A CA 1.019 53.099 52.037 0.072 0.000 0.725 405 A CB -0.019 19.000 19.000 0.031 0.000 0.784 405 A HN 0.171 nan 8.150 nan 0.000 0.472 406 S N -0.957 114.761 115.700 0.030 0.000 2.558 406 S HA 0.240 4.683 4.470 -0.045 0.000 0.217 406 S C -0.256 174.215 174.600 -0.215 0.000 0.975 406 S CA -0.077 58.045 58.200 -0.130 0.000 0.912 406 S CB -0.214 62.814 63.200 -0.286 0.000 0.776 406 S HN 0.472 nan 8.310 nan 0.000 0.526 407 F N 2.213 122.193 119.950 0.049 0.000 2.308 407 F HA 0.418 4.986 4.527 0.067 0.000 0.370 407 F C 1.287 177.133 175.800 0.077 0.000 1.100 407 F CA -0.901 57.157 58.000 0.097 0.000 1.108 407 F CB 0.793 39.831 39.000 0.063 0.000 1.293 407 F HN -0.177 nan 8.300 nan 0.000 0.478 408 R N 0.489 121.103 120.500 0.190 0.000 2.235 408 R HA 0.075 4.388 4.340 -0.045 0.000 0.213 408 R C 0.097 176.490 176.300 0.155 0.000 1.059 408 R CA 0.276 56.456 56.100 0.132 0.000 0.997 408 R CB -0.088 30.254 30.300 0.071 0.000 0.884 408 R HN 0.351 nan 8.270 nan 0.000 0.462 409 S N 0.754 116.577 115.700 0.205 0.000 2.482 409 S HA 0.513 4.956 4.470 -0.045 0.000 0.303 409 S C -0.932 173.757 174.600 0.148 0.000 1.091 409 S CA -0.678 57.643 58.200 0.202 0.000 1.057 409 S CB 1.929 65.317 63.200 0.314 0.000 1.031 409 S HN 0.048 nan 8.310 nan 0.000 0.485 410 L N 3.594 124.855 121.223 0.063 0.000 2.401 410 L HA 0.810 5.123 4.340 -0.045 0.000 0.266 410 L C -1.606 175.247 176.870 -0.030 0.000 0.991 410 L CA -0.486 54.367 54.840 0.022 0.000 0.818 410 L CB 1.956 44.027 42.059 0.020 0.000 1.321 410 L HN 0.440 nan 8.230 nan 0.000 0.413 411 V N 4.911 124.817 119.914 -0.014 0.000 2.482 411 V HA 0.488 4.581 4.120 -0.045 0.000 0.295 411 V C -0.744 175.363 176.094 0.021 0.000 1.026 411 V CA -0.682 61.609 62.300 -0.015 0.000 0.856 411 V CB 1.815 33.631 31.823 -0.012 0.000 1.001 411 V HN 0.515 nan 8.190 nan 0.000 0.424 412 V N 6.394 126.348 119.914 0.067 0.000 2.370 412 V HA 0.340 4.433 4.120 -0.045 0.000 0.279 412 V C 0.428 176.596 176.094 0.123 0.000 1.029 412 V CA -0.234 62.121 62.300 0.091 0.000 0.870 412 V CB 1.521 33.404 31.823 0.101 0.000 0.984 412 V HN 0.682 nan 8.190 nan 0.000 0.451 413 L N 3.791 125.058 121.223 0.073 0.000 2.640 413 L HA 0.554 4.867 4.340 -0.045 0.000 0.230 413 L C 1.111 178.018 176.870 0.062 0.000 1.123 413 L CA 0.865 55.738 54.840 0.056 0.000 0.900 413 L CB -0.437 41.641 42.059 0.031 0.000 1.146 413 L HN 1.049 nan 8.230 nan 0.000 0.484 414 G N -1.109 107.739 108.800 0.080 0.000 3.039 414 G HA2 0.185 4.118 3.960 -0.045 0.000 0.686 414 G HA3 0.185 4.118 3.960 -0.045 0.000 0.686 414 G C 0.006 174.929 174.900 0.039 0.000 1.066 414 G CA -0.487 44.654 45.100 0.068 0.000 0.774 414 G HN 0.523 nan 8.290 nan 0.000 0.591 415 G N -0.232 108.586 108.800 0.031 0.000 3.217 415 G HA2 0.891 4.824 3.960 -0.045 0.000 0.213 415 G HA3 0.891 4.824 3.960 -0.045 0.000 0.213 415 G C 0.285 175.195 174.900 0.016 0.000 1.294 415 G CA 0.617 45.729 45.100 0.020 0.000 0.987 415 G HN 1.772 nan 8.290 nan 0.000 0.584 416 S N -1.054 114.653 115.700 0.012 0.000 2.586 416 S HA 0.212 4.655 4.470 -0.045 0.000 0.274 416 S C 1.749 176.354 174.600 0.008 0.000 1.281 416 S CA -0.351 57.855 58.200 0.010 0.000 1.035 416 S CB 0.854 64.059 63.200 0.009 0.000 0.962 416 S HN 0.643 nan 8.310 nan 0.000 0.512 417 R N 1.656 122.161 120.500 0.007 0.000 2.235 417 R HA -0.024 4.289 4.340 -0.045 0.000 0.213 417 R C 1.364 177.666 176.300 0.004 0.000 1.059 417 R CA 1.451 57.554 56.100 0.006 0.000 0.997 417 R CB -1.370 28.934 30.300 0.005 0.000 0.884 417 R HN 0.700 nan 8.270 nan 0.000 0.462 418 T N -2.219 112.338 114.554 0.005 0.000 3.148 418 T HA -0.030 4.293 4.350 -0.045 0.000 0.253 418 T C 0.280 174.982 174.700 0.004 0.000 1.134 418 T CA 0.378 62.481 62.100 0.004 0.000 1.051 418 T CB 0.088 68.959 68.868 0.005 0.000 0.959 418 T HN 0.088 nan 8.240 nan 0.000 0.525 419 D N 1.885 122.288 120.400 0.004 0.000 2.749 419 D HA 0.288 4.901 4.640 -0.045 0.000 0.338 419 D C -1.516 174.784 176.300 0.001 0.000 1.236 419 D CA -2.471 51.531 54.000 0.003 0.000 0.845 419 D CB 1.166 41.968 40.800 0.005 0.000 1.080 419 D HN 0.075 nan 8.370 nan 0.000 0.497 420 P HA -0.181 nan 4.420 nan 0.000 0.219 420 P C 1.167 178.465 177.300 -0.005 0.000 1.146 420 P CA 0.829 63.927 63.100 -0.003 0.000 0.808 420 P CB 0.579 32.278 31.700 -0.002 0.000 0.779 421 K N -0.521 119.877 120.400 -0.003 0.000 2.057 421 K HA -0.056 4.237 4.320 -0.045 0.000 0.207 421 K C 2.159 178.756 176.600 -0.006 0.000 1.049 421 K CA 1.732 58.017 56.287 -0.004 0.000 0.931 421 K CB -0.664 31.836 32.500 -0.001 0.000 0.714 421 K HN 0.136 nan 8.250 nan 0.000 0.440 422 T N 1.377 115.929 114.554 -0.004 0.000 2.985 422 T HA -0.021 4.302 4.350 -0.045 0.000 0.266 422 T C 1.450 176.144 174.700 -0.011 0.000 1.076 422 T CA 0.793 62.889 62.100 -0.006 0.000 1.135 422 T CB -0.116 68.751 68.868 -0.003 0.000 0.890 422 T HN 0.177 nan 8.240 nan 0.000 0.480 423 N N 1.334 120.028 118.700 -0.010 0.000 2.244 423 N HA -0.081 4.632 4.740 -0.045 0.000 0.183 423 N C 1.909 177.403 175.510 -0.026 0.000 1.016 423 N CA 0.903 53.944 53.050 -0.016 0.000 0.866 423 N CB -0.223 38.258 38.487 -0.011 0.000 0.980 423 N HN 0.443 nan 8.380 nan 0.000 0.430 424 E N 1.306 121.494 120.200 -0.020 0.000 2.107 424 E HA -0.105 4.218 4.350 -0.045 0.000 0.191 424 E C 0.916 177.501 176.600 -0.025 0.000 0.982 424 E CA 1.190 57.577 56.400 -0.023 0.000 0.809 424 E CB -0.057 29.633 29.700 -0.016 0.000 0.756 424 E HN 0.160 nan 8.360 nan 0.000 0.459 425 D N -0.371 120.016 120.400 -0.021 0.000 2.123 425 D HA -0.122 4.491 4.640 -0.045 0.000 0.200 425 D C 1.750 178.034 176.300 -0.026 0.000 0.976 425 D CA 0.994 54.982 54.000 -0.019 0.000 0.831 425 D CB -0.136 40.655 40.800 -0.014 0.000 0.974 425 D HN 0.251 nan 8.370 nan 0.000 0.469 426 M N 0.452 120.034 119.600 -0.031 0.000 2.132 426 M HA -0.074 4.379 4.480 -0.045 0.000 0.263 426 M C 2.337 178.597 176.300 -0.067 0.000 1.065 426 M CA 0.813 56.088 55.300 -0.041 0.000 1.122 426 M CB -1.293 31.285 32.600 -0.036 0.000 1.365 426 M HN -0.067 nan 8.290 nan 0.000 0.411 427 S N 0.568 116.225 115.700 -0.072 0.000 2.359 427 S HA -0.106 4.337 4.470 -0.045 0.000 0.224 427 S C 2.038 176.594 174.600 -0.074 0.000 1.035 427 S CA 1.051 59.196 58.200 -0.093 0.000 1.018 427 S CB -0.224 62.932 63.200 -0.074 0.000 0.876 427 S HN 0.464 nan 8.310 nan 0.000 0.448 428 L N 0.783 121.976 121.223 -0.050 0.000 2.083 428 L HA -0.071 4.242 4.340 -0.045 0.000 0.209 428 L C 2.566 179.416 176.870 -0.033 0.000 1.083 428 L CA 1.428 56.245 54.840 -0.038 0.000 0.752 428 L CB -0.446 41.597 42.059 -0.026 0.000 0.899 428 L HN 0.362 nan 8.230 nan 0.000 0.433 429 S N -0.289 115.392 115.700 -0.032 0.000 2.368 429 S HA -0.129 4.314 4.470 -0.045 0.000 0.224 429 S C 1.751 176.335 174.600 -0.027 0.000 1.029 429 S CA 0.733 58.921 58.200 -0.021 0.000 0.988 429 S CB -0.154 63.037 63.200 -0.015 0.000 0.838 429 S HN 0.195 nan 8.310 nan 0.000 0.462 430 L N 1.033 122.223 121.223 -0.054 0.000 2.191 430 L HA 0.129 4.442 4.340 -0.045 0.000 0.212 430 L C 1.460 178.301 176.870 -0.047 0.000 1.103 430 L CA 1.541 56.341 54.840 -0.066 0.000 0.769 430 L CB -1.956 40.016 42.059 -0.144 0.000 0.908 430 L HN 0.495 nan 8.230 nan 0.000 0.438 431 G N -0.670 108.100 108.800 -0.050 0.000 2.712 431 G HA2 -0.140 3.793 3.960 -0.045 0.000 0.683 431 G HA3 -0.140 3.793 3.960 -0.045 0.000 0.683 431 G C -0.420 174.438 174.900 -0.070 0.000 1.320 431 G CA -0.506 44.570 45.100 -0.039 0.000 0.847 431 G HN 0.217 nan 8.290 nan 0.000 0.553 432 E N -0.426 119.738 120.200 -0.060 0.000 2.316 432 E HA 0.715 5.038 4.350 -0.045 0.000 0.258 432 E C 0.035 176.608 176.600 -0.045 0.000 0.952 432 E CA -0.702 55.637 56.400 -0.103 0.000 0.818 432 E CB 1.879 31.542 29.700 -0.061 0.000 1.260 432 E HN 0.885 nan 8.360 nan 0.000 0.416 433 H N -1.767 117.228 119.070 -0.125 0.000 3.016 433 H HA 0.478 5.008 4.556 -0.044 0.000 0.362 433 H C -1.095 174.024 175.328 -0.348 0.000 1.233 433 H CA -1.000 54.908 56.048 -0.234 0.000 1.124 433 H CB 2.050 31.695 29.762 -0.195 0.000 1.850 433 H HN 0.273 nan 8.280 nan 0.000 0.549 434 E N 1.704 121.671 120.200 -0.389 0.000 2.151 434 E HA 0.440 4.763 4.350 -0.045 0.000 0.275 434 E C -1.415 174.747 176.600 -0.730 0.000 0.936 434 E CA -0.891 55.256 56.400 -0.421 0.000 0.777 434 E CB 2.692 32.200 29.700 -0.320 0.000 1.108 434 E HN 0.323 nan 8.360 nan 0.000 0.401 435 V N 3.521 123.054 119.914 -0.633 0.000 2.888 435 V HA 0.191 4.284 4.120 -0.045 0.000 0.309 435 V C -0.961 174.934 176.094 -0.332 0.000 1.114 435 V CA -0.778 61.095 62.300 -0.711 0.000 0.940 435 V CB 2.433 33.441 31.823 -1.359 0.000 1.021 435 V HN 0.627 nan 8.190 nan 0.000 0.426 436 E N 3.909 124.004 120.200 -0.174 0.000 2.174 436 E HA 0.566 4.888 4.350 -0.045 0.000 0.282 436 E C -0.588 176.049 176.600 0.062 0.000 0.992 436 E CA -0.535 55.840 56.400 -0.041 0.000 0.803 436 E CB 2.018 31.712 29.700 -0.011 0.000 1.090 436 E HN 0.363 nan 8.360 nan 0.000 0.396 437 R N 2.151 122.688 120.500 0.063 0.000 2.686 437 R HA 0.193 4.506 4.340 -0.045 0.000 0.283 437 R C -1.274 175.076 176.300 0.083 0.000 0.978 437 R CA -0.772 55.400 56.100 0.119 0.000 0.897 437 R CB 1.443 31.829 30.300 0.143 0.000 1.192 437 R HN 0.443 nan 8.270 nan 0.000 0.457 438 D N 3.080 123.537 120.400 0.094 0.000 2.317 438 D HA 0.116 4.729 4.640 -0.045 0.000 0.252 438 D C -0.290 176.059 176.300 0.081 0.000 1.174 438 D CA -0.079 53.969 54.000 0.079 0.000 0.866 438 D CB 0.996 41.848 40.800 0.087 0.000 1.127 438 D HN 0.360 nan 8.370 nan 0.000 0.467 439 R N 2.578 123.103 120.500 0.043 0.000 2.369 439 R HA 0.204 4.517 4.340 -0.045 0.000 0.310 439 R C -0.221 176.060 176.300 -0.032 0.000 1.141 439 R CA -0.986 55.107 56.100 -0.013 0.000 1.116 439 R CB -0.233 30.039 30.300 -0.047 0.000 1.135 439 R HN 0.313 nan 8.270 nan 0.000 0.529 440 Y N 1.142 121.457 120.300 0.026 0.000 2.805 440 Y HA 0.087 4.610 4.550 -0.046 0.000 0.331 440 Y C -0.375 175.536 175.900 0.017 0.000 1.241 440 Y CA -0.554 57.558 58.100 0.020 0.000 1.546 440 Y CB 0.374 38.846 38.460 0.019 0.000 1.248 440 Y HN 0.428 nan 8.280 nan 0.000 0.559 452 R N 0.853 121.387 120.500 0.057 0.000 3.329 452 R HA 0.635 4.948 4.340 -0.045 0.000 0.251 452 R C -1.919 174.402 176.300 0.036 0.000 1.023 452 R CA -0.052 56.085 56.100 0.062 0.000 1.009 452 R CB 1.144 31.480 30.300 0.060 0.000 1.250 452 R HN 1.710 nan 8.270 nan 0.000 0.518 453 A N 4.137 126.977 122.820 0.033 0.000 2.577 453 A HA 0.492 4.784 4.320 -0.045 0.000 0.297 453 A C -1.951 175.646 177.584 0.022 0.000 1.060 453 A CA -0.673 51.375 52.037 0.019 0.000 0.697 453 A CB 1.750 20.753 19.000 0.004 0.000 1.281 453 A HN 0.613 nan 8.150 nan 0.000 0.402 454 L N 1.894 123.127 121.223 0.018 0.000 2.307 454 L HA 0.710 5.023 4.340 -0.045 0.000 0.282 454 L C -0.029 176.845 176.870 0.006 0.000 1.051 454 L CA -0.226 54.625 54.840 0.018 0.000 0.804 454 L CB 1.128 43.196 42.059 0.016 0.000 1.197 454 L HN 0.910 nan 8.230 nan 0.000 0.431 455 E N 3.602 123.805 120.200 0.006 0.000 2.293 455 E HA 0.549 4.872 4.350 -0.045 0.000 0.270 455 E C -1.324 175.262 176.600 -0.022 0.000 0.879 455 E CA -1.154 55.241 56.400 -0.007 0.000 0.756 455 E CB 1.749 31.447 29.700 -0.003 0.000 1.208 455 E HN 0.392 nan 8.360 nan 0.000 0.428 456 R N 1.245 121.722 120.500 -0.038 0.000 2.312 456 R HA 0.595 4.908 4.340 -0.045 0.000 0.311 456 R C -1.025 175.234 176.300 -0.067 0.000 1.004 456 R CA -0.527 55.531 56.100 -0.069 0.000 0.902 456 R CB 1.786 32.043 30.300 -0.072 0.000 1.073 456 R HN 0.431 nan 8.270 nan 0.000 0.457 457 V N 2.821 122.677 119.914 -0.096 0.000 2.808 457 V HA 0.483 4.576 4.120 -0.045 0.000 0.308 457 V C -0.415 175.626 176.094 -0.088 0.000 1.099 457 V CA -0.959 61.301 62.300 -0.067 0.000 0.920 457 V CB 2.328 34.137 31.823 -0.024 0.000 1.014 457 V HN 0.620 nan 8.190 nan 0.000 0.425 458 R N 3.228 123.702 120.500 -0.044 0.000 2.474 458 R HA 0.724 5.037 4.340 -0.045 0.000 0.295 458 R C -0.754 175.564 176.300 0.030 0.000 0.980 458 R CA -0.293 55.793 56.100 -0.023 0.000 0.934 458 R CB 1.571 31.849 30.300 -0.036 0.000 1.101 458 R HN 1.015 nan 8.270 nan 0.000 0.469 459 E N 2.858 123.100 120.200 0.069 0.000 2.416 459 E HA 0.311 4.634 4.350 -0.045 0.000 0.280 459 E C -1.172 175.378 176.600 -0.083 0.000 1.055 459 E CA -1.158 55.266 56.400 0.040 0.000 0.825 459 E CB 0.893 30.682 29.700 0.147 0.000 1.312 459 E HN 0.234 nan 8.360 nan 0.000 0.452 460 R N 1.042 121.512 120.500 -0.049 0.000 2.401 460 R HA 0.156 4.468 4.340 -0.045 0.000 0.299 460 R C 0.995 177.235 176.300 -0.100 0.000 1.064 460 R CA -0.081 55.966 56.100 -0.089 0.000 1.000 460 R CB 0.967 31.239 30.300 -0.047 0.000 0.973 460 R HN 0.504 nan 8.270 nan 0.000 0.438 461 V N 2.897 122.688 119.914 -0.204 0.000 2.407 461 V HA -0.123 3.970 4.120 -0.045 0.000 0.248 461 V C 1.002 177.142 176.094 0.077 0.000 1.055 461 V CA 1.403 63.648 62.300 -0.092 0.000 1.049 461 V CB 0.008 31.764 31.823 -0.112 0.000 0.662 461 V HN 0.382 nan 8.190 nan 0.000 0.455 462 V N 0.846 120.712 119.914 -0.081 0.000 2.409 462 V HA 0.348 4.441 4.120 -0.045 0.000 0.290 462 V C -0.157 175.854 176.094 -0.139 0.000 1.017 462 V CA -0.369 61.822 62.300 -0.181 0.000 0.841 462 V CB 1.585 33.109 31.823 -0.498 0.000 1.003 462 V HN 0.284 nan 8.190 nan 0.000 0.426 463 M N 5.810 125.359 119.600 -0.084 0.000 2.245 463 M HA 0.194 4.647 4.480 -0.045 0.000 0.330 463 M C -1.326 174.936 176.300 -0.064 0.000 1.098 463 M CA -1.154 54.112 55.300 -0.057 0.000 1.172 463 M CB 1.643 34.222 32.600 -0.035 0.000 1.467 463 M HN 0.337 nan 8.290 nan 0.000 0.454 464 P HA -0.164 nan 4.420 nan 0.000 0.215 464 P C 0.686 177.972 177.300 -0.023 0.000 1.157 464 P CA 1.910 64.987 63.100 -0.038 0.000 0.874 464 P CB -0.042 31.642 31.700 -0.026 0.000 0.790 465 A N -0.040 122.770 122.820 -0.016 0.000 1.940 465 A HA -0.252 4.041 4.320 -0.045 0.000 0.219 465 A C 2.101 179.689 177.584 0.006 0.000 1.176 465 A CA 1.659 53.693 52.037 -0.004 0.000 0.631 465 A CB -1.208 17.789 19.000 -0.004 0.000 0.814 465 A HN 0.215 nan 8.150 nan 0.000 0.446 466 E N -0.405 119.796 120.200 0.001 0.000 2.153 466 E HA -0.155 4.168 4.350 -0.045 0.000 0.194 466 E C 1.805 178.452 176.600 0.078 0.000 0.988 466 E CA 1.162 57.583 56.400 0.035 0.000 0.811 466 E CB -0.268 29.445 29.700 0.022 0.000 0.746 466 E HN 0.736 nan 8.360 nan 0.000 0.466 467 I N 0.808 121.397 120.570 0.033 0.000 2.333 467 I HA -0.165 3.977 4.170 -0.045 0.000 0.246 467 I C 2.504 178.655 176.117 0.056 0.000 1.106 467 I CA 0.671 62.008 61.300 0.061 0.000 1.411 467 I CB -0.217 37.781 38.000 -0.004 0.000 1.082 467 I HN 0.038 nan 8.210 nan 0.000 0.420 468 A N 0.498 123.336 122.820 0.030 0.000 2.015 468 A HA -0.100 4.193 4.320 -0.045 0.000 0.219 468 A C 1.642 179.242 177.584 0.027 0.000 1.163 468 A CA 1.313 53.364 52.037 0.023 0.000 0.646 468 A CB -0.356 18.652 19.000 0.012 0.000 0.806 468 A HN 0.394 nan 8.150 nan 0.000 0.448 469 N N -0.027 118.693 118.700 0.033 0.000 2.279 469 N HA 0.218 4.931 4.740 -0.045 0.000 0.226 469 N C -0.516 175.017 175.510 0.038 0.000 1.126 469 N CA -0.014 53.053 53.050 0.029 0.000 0.846 469 N CB 0.294 38.794 38.487 0.022 0.000 1.050 469 N HN 0.392 nan 8.380 nan 0.000 0.502 470 L N 2.956 124.211 121.223 0.054 0.000 2.410 470 L HA 0.207 4.520 4.340 -0.045 0.000 0.273 470 L C -1.650 175.233 176.870 0.022 0.000 1.152 470 L CA -1.111 53.761 54.840 0.053 0.000 0.855 470 L CB 0.725 42.837 42.059 0.088 0.000 1.129 470 L HN -0.079 nan 8.230 nan 0.000 0.463 471 P HA 0.121 nan 4.420 nan 0.000 0.274 471 P C -1.031 176.265 177.300 -0.007 0.000 1.231 471 P CA -0.621 62.477 63.100 -0.003 0.000 0.790 471 P CB 0.866 32.560 31.700 -0.011 0.000 0.951 472 D N 1.261 121.659 120.400 -0.004 0.000 2.419 472 D HA 0.053 4.666 4.640 -0.045 0.000 0.236 472 D C 1.116 177.410 176.300 -0.010 0.000 1.165 472 D CA 0.335 54.333 54.000 -0.003 0.000 0.882 472 D CB -0.059 40.741 40.800 -0.000 0.000 1.201 472 D HN 0.389 nan 8.370 nan 0.000 0.443 473 L N -0.616 120.603 121.223 -0.007 0.000 4.232 473 L HA -0.259 4.053 4.340 -0.045 0.000 0.415 473 L C -0.130 176.724 176.870 -0.027 0.000 1.168 473 L CA 0.544 55.379 54.840 -0.010 0.000 0.966 473 L CB -2.044 40.011 42.059 -0.007 0.000 2.052 473 L HN 0.390 nan 8.230 nan 0.000 0.887 474 T N -0.448 114.080 114.554 -0.042 0.000 2.887 474 T HA 0.857 5.179 4.350 -0.045 0.000 0.288 474 T C -0.110 174.526 174.700 -0.107 0.000 1.021 474 T CA 0.156 62.204 62.100 -0.087 0.000 1.000 474 T CB 2.323 71.129 68.868 -0.103 0.000 1.034 474 T HN 0.385 nan 8.240 nan 0.000 0.467 475 A N 1.910 124.624 122.820 -0.178 0.000 2.594 475 A HA 0.733 5.026 4.320 -0.045 0.000 0.295 475 A C -2.183 175.229 177.584 -0.286 0.000 1.071 475 A CA -0.770 51.172 52.037 -0.158 0.000 0.685 475 A CB 1.050 20.017 19.000 -0.055 0.000 1.285 475 A HN 0.758 nan 8.150 nan 0.000 0.405 476 Y N 0.429 120.708 120.300 -0.036 0.000 2.328 476 Y HA 0.498 5.018 4.550 -0.050 0.000 0.337 476 Y C 0.101 175.942 175.900 -0.098 0.000 1.008 476 Y CA -0.353 57.718 58.100 -0.048 0.000 1.129 476 Y CB 1.938 40.380 38.460 -0.031 0.000 1.185 476 Y HN 0.361 nan 8.280 nan 0.000 0.476 477 V N 3.242 123.131 119.914 -0.042 0.000 2.334 477 V HA 0.577 4.670 4.120 -0.045 0.000 0.281 477 V C 0.262 176.178 176.094 -0.298 0.000 1.016 477 V CA -0.763 61.387 62.300 -0.250 0.000 0.832 477 V CB 1.311 32.894 31.823 -0.399 0.000 0.999 477 V HN 0.946 nan 8.190 nan 0.000 0.439 478 G N 4.440 113.085 108.800 -0.258 0.000 2.788 478 G HA2 0.587 4.520 3.960 -0.045 0.000 0.327 478 G HA3 0.587 4.520 3.960 -0.045 0.000 0.327 478 G C -0.738 174.086 174.900 -0.127 0.000 1.249 478 G CA -0.261 44.753 45.100 -0.142 0.000 1.063 478 G HN 0.342 nan 8.290 nan 0.000 0.497 479 F N 1.776 121.765 119.950 0.065 0.000 2.410 479 F HA 0.537 5.034 4.527 -0.050 0.000 0.334 479 F C 1.230 177.059 175.800 0.048 0.000 1.134 479 F CA -0.467 57.568 58.000 0.059 0.000 1.227 479 F CB 1.098 40.129 39.000 0.052 0.000 1.194 479 F HN 0.574 nan 8.300 nan 0.000 0.571 480 A N 1.558 124.540 122.820 0.269 0.000 2.475 480 A HA 0.469 4.761 4.320 -0.045 0.000 0.239 480 A C 0.890 178.542 177.584 0.113 0.000 1.087 480 A CA 0.422 52.545 52.037 0.145 0.000 0.779 480 A CB -0.881 18.178 19.000 0.098 0.000 1.036 480 A HN 1.671 nan 8.150 nan 0.000 0.506 481 G N 0.333 109.178 108.800 0.074 0.000 2.642 481 G HA2 -0.189 3.744 3.960 -0.045 0.000 0.231 481 G HA3 -0.189 3.744 3.960 -0.045 0.000 0.231 481 G C 0.008 174.946 174.900 0.063 0.000 1.338 481 G CA 0.243 45.377 45.100 0.056 0.000 0.883 481 G HN 1.651 nan 8.290 nan 0.000 0.570 482 N N 1.367 120.098 118.700 0.052 0.000 2.807 482 N HA 0.425 5.138 4.740 -0.045 0.000 0.259 482 N C 0.185 175.730 175.510 0.057 0.000 1.149 482 N CA 0.202 53.283 53.050 0.052 0.000 1.042 482 N CB -0.408 38.103 38.487 0.040 0.000 1.367 482 N HN 0.623 nan 8.380 nan 0.000 0.516 483 R N 1.632 122.176 120.500 0.075 0.000 2.725 483 R HA 0.515 4.828 4.340 -0.045 0.000 0.277 483 R C -2.443 173.902 176.300 0.075 0.000 0.987 483 R CA -1.561 54.592 56.100 0.088 0.000 0.901 483 R CB 1.908 32.300 30.300 0.153 0.000 1.207 483 R HN 0.364 nan 8.270 nan 0.000 0.463 484 P HA 0.260 nan 4.420 nan 0.000 0.276 484 P C -0.384 176.952 177.300 0.060 0.000 1.252 484 P CA -0.456 62.666 63.100 0.037 0.000 0.802 484 P CB 0.845 32.548 31.700 0.005 0.000 1.035 485 I N -1.965 118.641 120.570 0.060 0.000 3.062 485 I HA 0.851 4.994 4.170 -0.045 0.000 0.318 485 I C -0.548 175.623 176.117 0.091 0.000 1.026 485 I CA -1.245 60.092 61.300 0.062 0.000 1.096 485 I CB 1.545 39.593 38.000 0.080 0.000 1.348 485 I HN 0.427 nan 8.210 nan 0.000 0.543 486 A N 2.245 125.120 122.820 0.092 0.000 2.589 486 A HA 0.482 4.775 4.320 -0.045 0.000 0.296 486 A C -1.193 176.397 177.584 0.011 0.000 1.062 486 A CA -0.838 51.245 52.037 0.078 0.000 0.686 486 A CB 1.493 20.517 19.000 0.041 0.000 1.282 486 A HN 0.778 nan 8.150 nan 0.000 0.404 487 K N 1.714 122.072 120.400 -0.070 0.000 2.285 487 K HA 0.591 4.883 4.320 -0.045 0.000 0.286 487 K C -1.305 175.171 176.600 -0.207 0.000 1.072 487 K CA -0.151 55.914 56.287 -0.370 0.000 0.913 487 K CB 0.738 32.991 32.500 -0.411 0.000 1.067 487 K HN 0.467 nan 8.250 nan 0.000 0.479 488 V N 6.836 126.627 119.914 -0.205 0.000 2.735 488 V HA 0.486 4.579 4.120 -0.045 0.000 0.310 488 V C -2.310 173.724 176.094 -0.099 0.000 1.061 488 V CA -1.900 60.336 62.300 -0.108 0.000 0.913 488 V CB 2.007 33.796 31.823 -0.057 0.000 1.005 488 V HN 0.850 nan 8.190 nan 0.000 0.428 489 P HA 0.431 nan 4.420 nan 0.000 0.292 489 P C -1.406 175.881 177.300 -0.021 0.000 1.283 489 P CA -0.546 62.527 63.100 -0.046 0.000 0.835 489 P CB 1.742 33.420 31.700 -0.037 0.000 1.017 490 L N 2.338 123.553 121.223 -0.014 0.000 2.289 490 L HA 0.340 4.653 4.340 -0.045 0.000 0.285 490 L C 0.989 177.863 176.870 0.007 0.000 1.049 490 L CA -0.185 54.659 54.840 0.006 0.000 0.804 490 L CB 0.635 42.702 42.059 0.014 0.000 1.195 490 L HN 0.446 nan 8.230 nan 0.000 0.428 491 E N 4.627 124.835 120.200 0.013 0.000 2.194 491 E HA 0.184 4.507 4.350 -0.045 0.000 0.284 491 E C -0.155 176.447 176.600 0.003 0.000 1.035 491 E CA -0.751 55.649 56.400 0.000 0.000 0.836 491 E CB 0.817 30.514 29.700 -0.005 0.000 1.070 491 E HN 0.518 nan 8.360 nan 0.000 0.401 492 I N 2.944 123.508 120.570 -0.009 0.000 2.366 492 I HA 0.180 4.322 4.170 -0.045 0.000 0.302 492 I C 0.148 176.234 176.117 -0.051 0.000 1.194 492 I CA -0.001 61.295 61.300 -0.007 0.000 1.667 492 I CB -1.147 36.847 38.000 -0.010 0.000 1.501 492 I HN 0.484 nan 8.210 nan 0.000 0.776 493 K N 3.558 123.912 120.400 -0.076 0.000 2.414 493 K HA 0.017 4.310 4.320 -0.045 0.000 0.272 493 K C 0.008 176.403 176.600 -0.341 0.000 0.993 493 K CA -0.184 55.944 56.287 -0.266 0.000 0.964 493 K CB 0.679 32.923 32.500 -0.426 0.000 0.925 493 K HN 0.509 nan 8.250 nan 0.000 0.487 494 Q N 2.822 122.359 119.800 -0.438 0.000 2.257 494 Q HA 0.320 4.632 4.340 -0.045 0.000 0.255 494 Q C -1.703 173.962 176.000 -0.557 0.000 0.920 494 Q CA -0.102 55.502 55.803 -0.332 0.000 0.927 494 Q CB 0.640 29.252 28.738 -0.211 0.000 1.229 494 Q HN 0.399 nan 8.270 nan 0.000 0.433 495 F N 1.732 121.588 119.950 -0.156 0.000 2.482 495 F HA 0.699 5.201 4.527 -0.041 0.000 0.331 495 F C 0.281 175.968 175.800 -0.188 0.000 1.115 495 F CA -0.973 56.899 58.000 -0.213 0.000 0.955 495 F CB 1.697 40.510 39.000 -0.313 0.000 1.136 495 F HN 0.621 nan 8.300 nan 0.000 0.452 496 A N 2.302 125.119 122.820 -0.005 0.000 2.371 496 A HA 0.273 4.565 4.320 -0.045 0.000 0.257 496 A C -0.099 177.444 177.584 -0.068 0.000 1.089 496 A CA -0.495 51.518 52.037 -0.041 0.000 0.794 496 A CB 0.109 19.085 19.000 -0.040 0.000 1.029 496 A HN 0.792 nan 8.150 nan 0.000 0.488 497 N N -0.023 118.634 118.700 -0.071 0.000 2.448 497 N HA 0.182 4.894 4.740 -0.045 0.000 0.250 497 N C 0.990 176.449 175.510 -0.085 0.000 1.136 497 N CA -0.157 52.838 53.050 -0.091 0.000 0.953 497 N CB 0.262 38.706 38.487 -0.071 0.000 1.251 497 N HN 0.604 nan 8.380 nan 0.000 0.502 498 R N 1.550 121.986 120.500 -0.106 0.000 2.359 498 R HA 0.226 4.539 4.340 -0.045 0.000 0.231 498 R C -0.285 175.962 176.300 -0.088 0.000 0.913 498 R CA -0.169 55.883 56.100 -0.080 0.000 1.075 498 R CB 0.289 30.550 30.300 -0.064 0.000 1.087 498 R HN 0.375 nan 8.270 nan 0.000 0.515 499 Q N 0.942 120.677 119.800 -0.109 0.000 2.438 499 Q HA 0.343 4.656 4.340 -0.045 0.000 0.272 499 Q C -2.912 173.026 176.000 -0.104 0.000 0.994 499 Q CA -2.220 53.515 55.803 -0.114 0.000 0.887 499 Q CB 2.684 31.324 28.738 -0.163 0.000 1.432 499 Q HN -0.008 nan 8.270 nan 0.000 0.392 500 P HA 0.105 nan 4.420 nan 0.000 0.276 500 P C -0.349 176.917 177.300 -0.057 0.000 1.243 500 P CA 0.243 63.306 63.100 -0.061 0.000 0.768 500 P CB 1.431 33.098 31.700 -0.055 0.000 0.856 501 A N 4.654 127.454 122.820 -0.033 0.000 1.883 501 A HA -0.135 4.158 4.320 -0.045 0.000 0.217 501 A C 0.691 178.339 177.584 0.106 0.000 1.186 501 A CA 1.392 53.424 52.037 -0.009 0.000 0.624 501 A CB -0.760 18.233 19.000 -0.012 0.000 0.822 501 A HN 0.563 nan 8.150 nan 0.000 0.444 502 F N -0.841 119.073 119.950 -0.061 0.000 2.518 502 F HA 0.570 5.071 4.527 -0.044 0.000 0.323 502 F C -1.021 174.766 175.800 -0.021 0.000 1.129 502 F CA -1.487 56.494 58.000 -0.032 0.000 0.920 502 F CB 2.083 41.069 39.000 -0.023 0.000 1.160 502 F HN -0.152 nan 8.300 nan 0.000 0.440 503 V N 6.226 125.815 119.914 -0.541 0.000 2.407 503 V HA 0.537 4.630 4.120 -0.045 0.000 0.291 503 V C -0.222 175.492 176.094 -0.633 0.000 1.018 503 V CA -0.375 61.647 62.300 -0.463 0.000 0.842 503 V CB 0.925 32.609 31.823 -0.231 0.000 0.996 503 V HN 0.917 nan 8.190 nan 0.000 0.426 504 E N 0.000 119.890 120.200 -0.517 0.000 2.725 504 E HA 0.000 4.323 4.350 -0.045 0.000 0.291 504 E CA 0.000 56.198 56.400 -0.337 0.000 0.976 504 E CB 0.000 29.559 29.700 -0.235 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440