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_L 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 KXXXXXXXXX RALERVRERV VMPAEIANLP DATA SEQUENCE DLTAYVGFAG NRPIAKVPLE IKQFANRQPA FVEGT 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 0.000 175.511 175.510 0.001 0.000 1.280 72 N CA 0.000 53.105 53.050 0.091 0.000 0.885 72 N CB 0.000 38.585 38.487 0.163 0.000 1.341 73 S N -0.157 115.521 115.700 -0.036 0.000 2.561 73 S HA 0.288 4.757 4.470 -0.001 0.000 0.245 73 S C 0.329 174.849 174.600 -0.133 0.000 1.001 73 S CA -0.256 57.908 58.200 -0.060 0.000 1.002 73 S CB 0.632 63.816 63.200 -0.028 0.000 0.805 73 S HN 0.194 nan 8.310 nan 0.000 0.458 74 V N -0.155 119.595 119.914 -0.274 0.000 2.709 74 V HA 0.787 4.907 4.120 -0.001 0.000 0.308 74 V C 1.040 176.742 176.094 -0.653 0.000 1.062 74 V CA -0.402 61.611 62.300 -0.479 0.000 0.901 74 V CB 0.964 32.380 31.823 -0.680 0.000 1.003 74 V HN 0.372 nan 8.190 nan 0.000 0.425 75 G N 2.429 111.027 108.800 -0.336 0.000 2.253 75 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.251 75 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.251 75 G C 0.968 175.924 174.900 0.093 0.000 0.998 75 G CA 0.648 45.722 45.100 -0.043 0.000 0.621 75 G HN 0.821 nan 8.290 nan 0.000 0.524 76 Q N 0.135 119.943 119.800 0.014 0.000 2.156 76 Q HA -0.117 4.222 4.340 -0.001 0.000 0.211 76 Q C 2.122 178.147 176.000 0.041 0.000 0.995 76 Q CA 2.180 58.002 55.803 0.032 0.000 0.877 76 Q CB -0.902 27.837 28.738 0.000 0.000 0.920 76 Q HN 1.238 nan 8.270 nan 0.000 0.416 77 G N -0.206 108.617 108.800 0.039 0.000 3.609 77 G HA2 0.258 4.218 3.960 -0.001 0.000 0.280 77 G HA3 0.258 4.218 3.960 -0.001 0.000 0.280 77 G C 0.297 175.236 174.900 0.065 0.000 1.155 77 G CA -0.136 44.987 45.100 0.039 0.000 0.876 77 G HN 0.421 nan 8.290 nan 0.000 0.535 78 E N -1.021 119.249 120.200 0.116 0.000 3.590 78 E HA 0.165 4.514 4.350 -0.001 0.000 0.223 78 E C -0.402 176.362 176.600 0.272 0.000 1.195 78 E CA -0.727 55.773 56.400 0.167 0.000 1.670 78 E CB 0.525 30.324 29.700 0.165 0.000 1.578 78 E HN 0.149 nan 8.360 nan 0.000 0.763 79 F N 2.419 122.470 119.950 0.168 0.000 2.427 79 F HA 0.442 4.969 4.527 -0.001 0.000 0.352 79 F C 1.217 177.118 175.800 0.168 0.000 1.100 79 F CA -0.318 57.815 58.000 0.221 0.000 1.191 79 F CB 1.422 40.660 39.000 0.396 0.000 1.128 79 F HN 0.091 nan 8.300 nan 0.000 0.533 80 G N 4.047 112.615 108.800 -0.387 0.000 2.534 80 G HA2 0.146 4.105 3.960 -0.001 0.000 0.217 80 G HA3 0.146 4.105 3.960 -0.001 0.000 0.217 80 G C 0.783 175.275 174.900 -0.680 0.000 1.128 80 G CA 0.441 45.300 45.100 -0.403 0.000 0.784 80 G HN 0.976 nan 8.290 nan 0.000 0.542 81 G N -0.184 107.623 108.800 -1.655 0.000 2.509 81 G HA2 0.527 4.486 3.960 -0.001 0.000 0.269 81 G HA3 0.527 4.486 3.960 -0.001 0.000 0.269 81 G C 0.219 174.937 174.900 -0.303 0.000 1.416 81 G CA 0.032 44.573 45.100 -0.933 0.000 1.052 81 G HN 0.504 nan 8.290 nan 0.000 0.542 82 A N 0.189 123.090 122.820 0.135 0.000 2.462 82 A HA 0.560 4.880 4.320 -0.001 0.000 0.243 82 A C -2.058 175.810 177.584 0.473 0.000 1.076 82 A CA -0.677 51.512 52.037 0.252 0.000 0.773 82 A CB -0.124 19.020 19.000 0.239 0.000 1.010 82 A HN 0.395 nan 8.150 nan 0.000 0.493 83 P HA 0.415 nan 4.420 nan 0.000 0.270 83 P C -0.715 176.773 177.300 0.313 0.000 1.223 83 P CA 0.201 63.447 63.100 0.242 0.000 0.785 83 P CB 0.309 32.053 31.700 0.073 0.000 0.923 84 F N -1.376 118.670 119.950 0.160 0.000 2.629 84 F HA 0.639 5.166 4.527 -0.001 0.000 0.316 84 F C 1.130 176.977 175.800 0.078 0.000 1.081 84 F CA -1.236 56.825 58.000 0.101 0.000 0.954 84 F CB 1.159 40.181 39.000 0.036 0.000 1.337 84 F HN 0.128 nan 8.300 nan 0.000 0.474 85 K N 0.106 120.659 120.400 0.255 0.000 2.005 85 K HA 0.199 4.519 4.320 -0.001 0.000 0.206 85 K C 0.278 176.997 176.600 0.198 0.000 1.044 85 K CA 0.739 57.114 56.287 0.146 0.000 0.942 85 K CB 0.222 32.786 32.500 0.106 0.000 0.727 85 K HN 0.651 nan 8.250 nan 0.000 0.439 86 R N -0.016 120.653 120.500 0.282 0.000 2.744 86 R HA 0.192 4.532 4.340 -0.001 0.000 0.279 86 R C -1.761 174.707 176.300 0.280 0.000 0.977 86 R CA -0.683 55.576 56.100 0.265 0.000 0.906 86 R CB 1.383 31.751 30.300 0.113 0.000 1.197 86 R HN 0.081 nan 8.270 nan 0.000 0.463 87 F N 4.963 124.991 119.950 0.130 0.000 2.404 87 F HA 0.272 4.799 4.527 -0.001 0.000 0.354 87 F C 0.239 175.979 175.800 -0.099 0.000 1.122 87 F CA -0.447 57.491 58.000 -0.102 0.000 1.080 87 F CB 0.743 39.758 39.000 0.026 0.000 1.131 87 F HN 0.503 nan 8.300 nan 0.000 0.471 88 L N 4.979 125.726 121.223 -0.793 0.000 2.121 88 L HA 0.261 4.601 4.340 -0.001 0.000 0.200 88 L C 0.602 177.059 176.870 -0.688 0.000 1.077 88 L CA 0.356 54.865 54.840 -0.552 0.000 0.766 88 L CB -0.347 41.471 42.059 -0.401 0.000 0.931 88 L HN 0.658 nan 8.230 nan 0.000 0.452 89 R N -1.441 118.420 120.500 -1.065 0.000 2.756 89 R HA 0.636 4.976 4.340 -0.001 0.000 0.273 89 R C -0.437 175.597 176.300 -0.443 0.000 1.030 89 R CA -0.307 55.446 56.100 -0.578 0.000 0.887 89 R CB 0.924 31.083 30.300 -0.236 0.000 1.274 89 R HN 0.097 nan 8.270 nan 0.000 0.461 90 G N 0.100 108.912 108.800 0.019 0.000 2.445 90 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.212 90 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.212 90 G C -1.011 174.076 174.900 0.311 0.000 1.217 90 G CA -0.299 44.880 45.100 0.132 0.000 1.002 90 G HN 0.698 nan 8.290 nan 0.000 0.574 91 T N 2.188 116.892 114.554 0.251 0.000 2.794 91 T HA 0.542 4.891 4.350 -0.001 0.000 0.296 91 T C 0.715 175.544 174.700 0.215 0.000 0.949 91 T CA 0.011 62.221 62.100 0.184 0.000 1.101 91 T CB 0.522 69.438 68.868 0.080 0.000 0.905 91 T HN 0.565 nan 8.240 nan 0.000 0.516 92 R N 2.802 123.331 120.500 0.047 0.000 2.254 92 R HA 0.518 4.858 4.340 -0.001 0.000 0.318 92 R C -0.293 176.003 176.300 -0.007 0.000 1.031 92 R CA -0.494 55.514 56.100 -0.153 0.000 0.905 92 R CB 1.064 31.198 30.300 -0.277 0.000 1.050 92 R HN 0.583 nan 8.270 nan 0.000 0.456 93 I N 3.553 124.153 120.570 0.050 0.000 2.404 93 I HA 0.374 4.543 4.170 -0.001 0.000 0.293 93 I C -0.894 175.288 176.117 0.109 0.000 0.992 93 I CA -0.730 60.645 61.300 0.125 0.000 1.149 93 I CB 1.440 39.575 38.000 0.225 0.000 1.315 93 I HN 0.338 nan 8.210 nan 0.000 0.446 94 V N 5.829 125.800 119.914 0.095 0.000 3.145 94 V HA 0.596 4.715 4.120 -0.001 0.000 0.311 94 V C -0.173 175.969 176.094 0.080 0.000 1.238 94 V CA -0.252 62.092 62.300 0.073 0.000 1.066 94 V CB 2.700 34.549 31.823 0.043 0.000 1.144 94 V HN 0.877 nan 8.190 nan 0.000 0.465 95 S N 0.804 116.539 115.700 0.059 0.000 2.601 95 S HA 0.398 4.867 4.470 -0.001 0.000 0.271 95 S C 1.231 175.857 174.600 0.044 0.000 1.305 95 S CA 0.164 58.393 58.200 0.048 0.000 1.022 95 S CB 1.118 64.339 63.200 0.035 0.000 0.940 95 S HN 1.420 nan 8.310 nan 0.000 0.525 96 G N 1.678 110.498 108.800 0.032 0.000 2.476 96 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.218 96 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.218 96 G C 1.339 176.265 174.900 0.044 0.000 1.164 96 G CA 0.754 45.875 45.100 0.035 0.000 0.768 96 G HN 1.036 nan 8.290 nan 0.000 0.560 97 G N 0.380 109.200 108.800 0.033 0.000 2.446 97 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 97 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 97 G C 1.716 176.637 174.900 0.034 0.000 1.168 97 G CA 1.299 46.418 45.100 0.031 0.000 0.771 97 G HN 0.534 nan 8.290 nan 0.000 0.551 98 K N -0.441 119.980 120.400 0.034 0.000 2.148 98 K HA 0.040 4.359 4.320 -0.001 0.000 0.204 98 K C 2.332 178.957 176.600 0.043 0.000 1.050 98 K CA 0.764 57.070 56.287 0.032 0.000 0.942 98 K CB -0.182 32.334 32.500 0.027 0.000 0.724 98 K HN 0.271 nan 8.250 nan 0.000 0.446 99 L N 1.362 122.621 121.223 0.061 0.000 2.109 99 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 99 L C 1.584 178.508 176.870 0.090 0.000 1.086 99 L CA 1.686 56.580 54.840 0.090 0.000 0.760 99 L CB -0.145 41.989 42.059 0.124 0.000 0.910 99 L HN 0.008 nan 8.230 nan 0.000 0.437 100 K N -0.741 119.706 120.400 0.077 0.000 2.147 100 K HA -0.111 4.208 4.320 -0.001 0.000 0.205 100 K C 2.095 178.717 176.600 0.036 0.000 1.049 100 K CA 1.326 57.651 56.287 0.065 0.000 0.936 100 K CB -0.118 32.417 32.500 0.057 0.000 0.722 100 K HN 0.363 nan 8.250 nan 0.000 0.446 101 R N 0.125 120.643 120.500 0.030 0.000 2.119 101 R HA 0.084 4.423 4.340 -0.001 0.000 0.222 101 R C 2.231 178.537 176.300 0.011 0.000 1.088 101 R CA 0.920 57.030 56.100 0.017 0.000 0.984 101 R CB -0.114 30.195 30.300 0.015 0.000 0.884 101 R HN 0.188 nan 8.270 nan 0.000 0.447 102 M N 0.247 119.858 119.600 0.018 0.000 2.200 102 M HA -0.083 4.396 4.480 -0.001 0.000 0.265 102 M C 2.170 178.467 176.300 -0.006 0.000 1.066 102 M CA 1.874 57.181 55.300 0.011 0.000 1.127 102 M CB -0.209 32.406 32.600 0.026 0.000 1.379 102 M HN 0.188 nan 8.290 nan 0.000 0.420 103 T N -1.964 112.583 114.554 -0.011 0.000 3.043 103 T HA 0.029 4.378 4.350 -0.001 0.000 0.263 103 T C 1.011 175.665 174.700 -0.077 0.000 1.094 103 T CA -0.155 61.900 62.100 -0.075 0.000 1.127 103 T CB -0.287 68.505 68.868 -0.127 0.000 0.905 103 T HN 0.237 nan 8.240 nan 0.000 0.490 104 R N 1.853 122.331 120.500 -0.036 0.000 2.537 104 R HA 0.164 4.503 4.340 -0.001 0.000 0.281 104 R C -0.043 176.237 176.300 -0.034 0.000 0.988 104 R CA 0.340 56.423 56.100 -0.029 0.000 1.077 104 R CB 0.186 30.480 30.300 -0.011 0.000 0.932 104 R HN 0.528 nan 8.270 nan 0.000 0.409 105 E N 2.084 122.263 120.200 -0.036 0.000 2.392 105 E HA 0.136 4.485 4.350 -0.001 0.000 0.269 105 E C 0.213 176.799 176.600 -0.023 0.000 0.924 105 E CA -0.918 55.462 56.400 -0.033 0.000 0.784 105 E CB 0.997 30.671 29.700 -0.045 0.000 1.292 105 E HN 0.638 nan 8.360 nan 0.000 0.447 106 K N 0.716 121.104 120.400 -0.019 0.000 2.002 106 K HA 0.007 4.326 4.320 -0.001 0.000 0.209 106 K C 0.738 177.330 176.600 -0.014 0.000 1.048 106 K CA 0.991 57.270 56.287 -0.015 0.000 0.930 106 K CB -1.008 31.485 32.500 -0.013 0.000 0.714 106 K HN 0.356 nan 8.250 nan 0.000 0.438 107 A N 2.432 125.243 122.820 -0.015 0.000 2.492 107 A HA 0.069 4.389 4.320 -0.001 0.000 0.236 107 A C -0.088 177.490 177.584 -0.010 0.000 1.078 107 A CA -0.188 51.842 52.037 -0.012 0.000 0.773 107 A CB 0.026 19.019 19.000 -0.012 0.000 1.023 107 A HN 0.300 nan 8.150 nan 0.000 0.504 108 K N 1.344 121.740 120.400 -0.006 0.000 2.416 108 K HA 0.148 4.467 4.320 -0.001 0.000 0.283 108 K C -0.084 176.518 176.600 0.003 0.000 1.037 108 K CA 0.487 56.770 56.287 -0.006 0.000 0.995 108 K CB 0.401 32.898 32.500 -0.004 0.000 0.938 108 K HN 0.735 nan 8.250 nan 0.000 0.475 109 Q N 0.809 120.607 119.800 -0.002 0.000 2.445 109 Q HA 0.473 4.812 4.340 -0.001 0.000 0.281 109 Q C -0.696 175.312 176.000 0.012 0.000 1.101 109 Q CA -0.996 54.813 55.803 0.010 0.000 0.833 109 Q CB 2.246 30.977 28.738 -0.012 0.000 1.416 109 Q HN 0.263 nan 8.270 nan 0.000 0.451 110 V N 0.583 120.523 119.914 0.044 0.000 2.834 110 V HA 0.561 4.680 4.120 -0.001 0.000 0.313 110 V C -0.137 175.986 176.094 0.049 0.000 1.060 110 V CA -0.402 61.913 62.300 0.025 0.000 0.989 110 V CB 1.891 33.745 31.823 0.051 0.000 1.041 110 V HN 0.976 nan 8.190 nan 0.000 0.459 111 T N 0.241 114.825 114.554 0.050 0.000 2.863 111 T HA 0.741 5.090 4.350 -0.001 0.000 0.285 111 T C -1.046 173.740 174.700 0.143 0.000 1.009 111 T CA -0.652 61.510 62.100 0.104 0.000 0.989 111 T CB 1.648 70.568 68.868 0.086 0.000 1.004 111 T HN 0.318 nan 8.240 nan 0.000 0.455 112 V N 2.817 122.861 119.914 0.217 0.000 2.350 112 V HA 0.673 4.793 4.120 -0.001 0.000 0.285 112 V C 0.903 177.081 176.094 0.140 0.000 1.014 112 V CA -0.184 62.232 62.300 0.193 0.000 0.831 112 V CB 0.128 32.102 31.823 0.251 0.000 1.000 112 V HN 1.658 nan 8.190 nan 0.000 0.433 113 A N 4.114 126.995 122.820 0.101 0.000 2.822 113 A HA 0.003 4.322 4.320 -0.001 0.000 0.287 113 A C 1.825 179.457 177.584 0.080 0.000 1.479 113 A CA 1.398 53.479 52.037 0.073 0.000 0.779 113 A CB -1.532 17.490 19.000 0.036 0.000 1.022 113 A HN 2.560 nan 8.150 nan 0.000 0.532 114 G N -3.746 105.113 108.800 0.099 0.000 2.284 114 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.247 114 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.247 114 G C 0.462 175.424 174.900 0.103 0.000 1.012 114 G CA 0.385 45.538 45.100 0.090 0.000 0.618 114 G HN 1.876 nan 8.290 nan 0.000 0.521 115 V N 3.890 123.891 119.914 0.145 0.000 2.432 115 V HA 0.440 4.559 4.120 -0.001 0.000 0.271 115 V C -1.349 174.870 176.094 0.208 0.000 1.046 115 V CA -1.310 61.110 62.300 0.199 0.000 0.945 115 V CB 1.277 33.287 31.823 0.312 0.000 0.992 115 V HN 0.284 nan 8.190 nan 0.000 0.471 116 P HA 0.097 nan 4.420 nan 0.000 0.271 116 P C -0.469 176.745 177.300 -0.143 0.000 1.226 116 P CA -0.236 62.873 63.100 0.014 0.000 0.765 116 P CB 0.734 32.425 31.700 -0.015 0.000 0.835 117 M N 6.196 125.707 119.600 -0.148 0.000 2.120 117 M HA 0.321 4.801 4.480 -0.001 0.000 0.354 117 M C -2.382 173.693 176.300 -0.375 0.000 1.287 117 M CA -2.305 52.718 55.300 -0.462 0.000 1.103 117 M CB 0.746 33.353 32.600 0.013 0.000 1.623 117 M HN 0.088 nan 8.290 nan 0.000 0.471 118 P HA -0.033 nan 4.420 nan 0.000 0.261 118 P C -0.079 177.129 177.300 -0.154 0.000 1.173 118 P CA 0.006 62.937 63.100 -0.283 0.000 0.760 118 P CB 0.427 31.955 31.700 -0.286 0.000 0.783 119 R N 3.616 124.059 120.500 -0.094 0.000 2.119 119 R HA -0.177 4.163 4.340 -0.001 0.000 0.246 119 R C 1.476 177.736 176.300 -0.066 0.000 1.146 119 R CA 2.004 58.071 56.100 -0.055 0.000 0.962 119 R CB -1.277 28.998 30.300 -0.042 0.000 0.863 119 R HN 0.652 nan 8.270 nan 0.000 0.442 120 D N -0.067 120.289 120.400 -0.073 0.000 2.264 120 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 120 D C 1.408 177.658 176.300 -0.084 0.000 0.966 120 D CA 1.120 55.075 54.000 -0.074 0.000 0.864 120 D CB -0.150 40.614 40.800 -0.060 0.000 0.933 120 D HN 0.193 nan 8.370 nan 0.000 0.499 121 A N 0.857 123.634 122.820 -0.071 0.000 2.119 121 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 121 A C 2.093 179.642 177.584 -0.058 0.000 1.152 121 A CA 0.588 52.603 52.037 -0.036 0.000 0.708 121 A CB -0.353 18.663 19.000 0.027 0.000 0.805 121 A HN 0.159 nan 8.150 nan 0.000 0.460 122 E N 0.130 120.281 120.200 -0.082 0.000 2.038 122 E HA -0.136 4.213 4.350 -0.001 0.000 0.195 122 E C -0.834 175.548 176.600 -0.364 0.000 1.000 122 E CA 1.439 57.745 56.400 -0.157 0.000 0.803 122 E CB -0.675 28.945 29.700 -0.133 0.000 0.750 122 E HN 0.519 nan 8.360 nan 0.000 0.448 123 P HA -0.047 nan 4.420 nan 0.000 0.252 123 P C -0.020 176.858 177.300 -0.703 0.000 1.265 123 P CA 0.804 63.624 63.100 -0.466 0.000 0.775 123 P CB 0.037 31.563 31.700 -0.289 0.000 1.128 124 R N -1.038 119.102 120.500 -0.599 0.000 2.509 124 R HA 0.133 4.472 4.340 -0.001 0.000 0.300 124 R C -0.124 175.884 176.300 -0.486 0.000 0.985 124 R CA -0.465 55.317 56.100 -0.530 0.000 1.092 124 R CB -0.192 29.979 30.300 -0.214 0.000 1.237 124 R HN 0.267 nan 8.270 nan 0.000 0.546 125 H N -0.366 118.609 119.070 -0.159 0.000 4.269 125 H HA -0.206 4.349 4.556 -0.001 0.000 0.250 125 H C -0.902 174.501 175.328 0.125 0.000 0.566 125 H CA 0.474 56.446 56.048 -0.128 0.000 0.696 125 H CB -0.416 29.032 29.762 -0.522 0.000 1.069 125 H HN 0.061 nan 8.280 nan 0.000 0.302 126 L N 1.969 123.443 121.223 0.419 0.000 2.362 126 L HA 0.566 4.905 4.340 -0.001 0.000 0.275 126 L C -1.200 175.907 176.870 0.394 0.000 0.998 126 L CA -0.768 54.291 54.840 0.365 0.000 0.820 126 L CB 1.572 43.796 42.059 0.275 0.000 1.270 126 L HN 0.495 nan 8.230 nan 0.000 0.415 127 L N 5.998 127.335 121.223 0.189 0.000 2.325 127 L HA 0.644 4.983 4.340 -0.001 0.000 0.281 127 L C -1.156 175.679 176.870 -0.059 0.000 1.004 127 L CA -0.274 54.500 54.840 -0.110 0.000 0.823 127 L CB 1.775 43.682 42.059 -0.254 0.000 1.236 127 L HN 0.421 nan 8.230 nan 0.000 0.415 128 V N 5.065 124.938 119.914 -0.068 0.000 2.328 128 V HA 0.456 4.575 4.120 -0.001 0.000 0.278 128 V C -0.165 175.904 176.094 -0.043 0.000 1.021 128 V CA -0.603 61.681 62.300 -0.027 0.000 0.838 128 V CB 1.180 33.010 31.823 0.012 0.000 0.999 128 V HN 0.824 nan 8.190 nan 0.000 0.447 129 N N 2.986 121.667 118.700 -0.032 0.000 2.362 129 N HA 0.838 5.577 4.740 -0.001 0.000 0.298 129 N C -0.227 175.282 175.510 -0.002 0.000 1.048 129 N CA 0.189 53.222 53.050 -0.029 0.000 0.858 129 N CB 1.976 40.440 38.487 -0.039 0.000 1.218 129 N HN 0.964 nan 8.380 nan 0.000 0.488 130 G N 0.196 108.997 108.800 0.001 0.000 2.338 130 G HA2 0.510 4.469 3.960 -0.001 0.000 0.295 130 G HA3 0.510 4.469 3.960 -0.001 0.000 0.295 130 G C -1.249 173.657 174.900 0.011 0.000 1.461 130 G CA -0.242 44.866 45.100 0.013 0.000 0.817 130 G HN 0.740 nan 8.290 nan 0.000 0.556 131 A N -0.394 122.435 122.820 0.014 0.000 2.296 131 A HA 0.791 5.110 4.320 -0.001 0.000 0.276 131 A C 0.844 178.436 177.584 0.013 0.000 1.356 131 A CA 0.424 52.468 52.037 0.012 0.000 0.825 131 A CB -0.134 18.873 19.000 0.012 0.000 1.308 131 A HN 1.190 nan 8.150 nan 0.000 0.515 132 T N 0.252 114.813 114.554 0.011 0.000 2.794 132 T HA 0.483 4.832 4.350 -0.001 0.000 0.296 132 T C 1.006 175.711 174.700 0.009 0.000 0.949 132 T CA 1.042 63.149 62.100 0.010 0.000 1.101 132 T CB 0.663 69.537 68.868 0.009 0.000 0.905 132 T HN 1.991 nan 8.240 nan 0.000 0.516 133 G N 2.802 111.607 108.800 0.009 0.000 2.176 133 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.252 133 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.252 133 G C 0.741 175.647 174.900 0.010 0.000 1.024 133 G CA 0.445 45.549 45.100 0.008 0.000 0.755 133 G HN 0.940 nan 8.290 nan 0.000 0.507 134 T N -3.016 111.546 114.554 0.013 0.000 3.060 134 T HA 0.473 4.822 4.350 -0.001 0.000 0.249 134 T C 1.934 176.644 174.700 0.017 0.000 1.079 134 T CA 1.239 63.348 62.100 0.014 0.000 1.013 134 T CB 0.738 69.616 68.868 0.017 0.000 0.975 134 T HN 2.099 nan 8.240 nan 0.000 0.518 135 G N 1.507 110.319 108.800 0.020 0.000 2.145 135 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.145 135 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.145 135 G C 0.650 175.571 174.900 0.035 0.000 1.017 135 G CA 0.070 45.186 45.100 0.027 0.000 0.682 135 G HN 0.469 nan 8.290 nan 0.000 0.504 136 K N 0.687 121.107 120.400 0.034 0.000 2.057 136 K HA -0.026 4.293 4.320 -0.001 0.000 0.207 136 K C 2.640 179.272 176.600 0.054 0.000 1.049 136 K CA 1.660 57.974 56.287 0.044 0.000 0.931 136 K CB -0.186 32.338 32.500 0.040 0.000 0.714 136 K HN 0.354 nan 8.250 nan 0.000 0.440 137 S N 1.002 116.725 115.700 0.039 0.000 2.353 137 S HA -0.137 4.332 4.470 -0.001 0.000 0.222 137 S C 2.198 176.822 174.600 0.039 0.000 1.035 137 S CA 1.492 59.710 58.200 0.030 0.000 1.025 137 S CB -0.474 62.732 63.200 0.010 0.000 0.902 137 S HN 0.034 nan 8.310 nan 0.000 0.440 138 V N 2.169 122.114 119.914 0.051 0.000 2.324 138 V HA -0.187 3.932 4.120 -0.001 0.000 0.250 138 V C 2.215 178.366 176.094 0.095 0.000 1.060 138 V CA 1.779 64.127 62.300 0.079 0.000 1.042 138 V CB -0.760 31.108 31.823 0.075 0.000 0.650 138 V HN 0.387 nan 8.190 nan 0.000 0.450 139 L N -1.124 120.148 121.223 0.083 0.000 2.044 139 L HA -0.118 4.222 4.340 -0.001 0.000 0.205 139 L C 2.307 179.244 176.870 0.112 0.000 1.075 139 L CA 1.445 56.342 54.840 0.094 0.000 0.747 139 L CB -0.111 41.995 42.059 0.079 0.000 0.903 139 L HN 0.203 nan 8.230 nan 0.000 0.435 140 L N -0.196 121.100 121.223 0.123 0.000 2.093 140 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 140 L C 2.644 179.536 176.870 0.038 0.000 1.085 140 L CA 1.473 56.426 54.840 0.188 0.000 0.755 140 L CB -0.748 41.444 42.059 0.221 0.000 0.904 140 L HN 0.193 nan 8.230 nan 0.000 0.435 141 R N 0.009 120.513 120.500 0.008 0.000 2.082 141 R HA -0.217 4.122 4.340 -0.001 0.000 0.234 141 R C 2.353 178.627 176.300 -0.043 0.000 1.136 141 R CA 1.914 57.980 56.100 -0.057 0.000 0.935 141 R CB -0.387 29.852 30.300 -0.100 0.000 0.842 141 R HN 0.467 nan 8.270 nan 0.000 0.430 142 E N 0.033 120.300 120.200 0.112 0.000 2.085 142 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 142 E C 2.010 178.669 176.600 0.097 0.000 0.994 142 E CA 1.473 58.008 56.400 0.226 0.000 0.801 142 E CB -0.202 29.628 29.700 0.216 0.000 0.743 142 E HN 0.438 nan 8.360 nan 0.000 0.453 143 L N 0.093 121.335 121.223 0.032 0.000 2.093 143 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 143 L C 2.450 179.183 176.870 -0.228 0.000 1.085 143 L CA 1.313 56.131 54.840 -0.038 0.000 0.755 143 L CB -0.263 41.846 42.059 0.083 0.000 0.904 143 L HN 0.258 nan 8.230 nan 0.000 0.435 144 A N -1.164 121.432 122.820 -0.373 0.000 1.897 144 A HA -0.262 4.057 4.320 -0.001 0.000 0.215 144 A C 2.080 179.267 177.584 -0.662 0.000 1.181 144 A CA 1.316 52.906 52.037 -0.745 0.000 0.620 144 A CB -0.878 17.475 19.000 -1.079 0.000 0.821 144 A HN 0.554 nan 8.150 nan 0.000 0.443 145 Y N 2.074 121.948 120.300 -0.711 0.000 2.049 145 Y HA -0.261 4.288 4.550 -0.001 0.000 0.277 145 Y C 2.925 178.705 175.900 -0.199 0.000 1.143 145 Y CA 2.596 60.436 58.100 -0.434 0.000 1.115 145 Y CB -1.214 37.308 38.460 0.104 0.000 0.975 145 Y HN 0.432 nan 8.280 nan 0.000 0.487 146 T N -2.180 112.220 114.554 -0.257 0.000 2.849 146 T HA -0.132 4.217 4.350 -0.001 0.000 0.270 146 T C 2.177 176.727 174.700 -0.249 0.000 1.066 146 T CA 1.457 63.364 62.100 -0.322 0.000 1.130 146 T CB -1.339 67.437 68.868 -0.154 0.000 0.864 146 T HN 0.432 nan 8.240 nan 0.000 0.481 147 G N 1.180 109.813 108.800 -0.279 0.000 2.403 147 G HA2 0.074 4.034 3.960 -0.001 0.000 0.216 147 G HA3 0.074 4.034 3.960 -0.001 0.000 0.216 147 G C 1.521 176.327 174.900 -0.157 0.000 1.154 147 G CA 0.487 45.441 45.100 -0.243 0.000 0.784 147 G HN 0.529 nan 8.290 nan 0.000 0.538 148 L N 0.027 121.127 121.223 -0.204 0.000 2.093 148 L HA 0.053 4.392 4.340 -0.001 0.000 0.208 148 L C 2.785 179.614 176.870 -0.069 0.000 1.085 148 L CA 0.439 55.216 54.840 -0.106 0.000 0.755 148 L CB -0.337 41.662 42.059 -0.100 0.000 0.904 148 L HN 0.149 nan 8.230 nan 0.000 0.435 149 L N -0.434 120.699 121.223 -0.151 0.000 2.191 149 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 149 L C 2.551 179.374 176.870 -0.079 0.000 1.103 149 L CA 1.058 55.811 54.840 -0.144 0.000 0.769 149 L CB -0.364 41.513 42.059 -0.303 0.000 0.908 149 L HN 0.251 nan 8.230 nan 0.000 0.438 150 R N -0.008 120.453 120.500 -0.064 0.000 2.317 150 R HA 0.061 4.400 4.340 -0.001 0.000 0.208 150 R C 1.004 177.311 176.300 0.012 0.000 0.914 150 R CA 0.606 56.695 56.100 -0.018 0.000 1.060 150 R CB 0.257 30.559 30.300 0.003 0.000 1.015 150 R HN 0.330 nan 8.270 nan 0.000 0.498 151 G N 1.360 110.167 108.800 0.011 0.000 2.160 151 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.244 151 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.244 151 G C -0.635 174.300 174.900 0.058 0.000 1.022 151 G CA 0.203 45.322 45.100 0.032 0.000 0.741 151 G HN 0.380 nan 8.290 nan 0.000 0.508 152 D N -0.149 120.302 120.400 0.086 0.000 2.313 152 D HA 0.400 5.040 4.640 -0.001 0.000 0.247 152 D C 1.039 177.434 176.300 0.157 0.000 1.094 152 D CA -0.015 54.085 54.000 0.167 0.000 0.925 152 D CB 0.809 41.806 40.800 0.328 0.000 1.188 152 D HN 0.318 nan 8.370 nan 0.000 0.430 153 R N 0.610 121.216 120.500 0.177 0.000 2.536 153 R HA 0.678 5.018 4.340 -0.001 0.000 0.279 153 R C 0.042 176.509 176.300 0.278 0.000 1.001 153 R CA -0.520 55.674 56.100 0.157 0.000 1.027 153 R CB 1.249 31.568 30.300 0.031 0.000 1.096 153 R HN 0.467 nan 8.270 nan 0.000 0.502 154 M N -1.033 118.738 119.600 0.284 0.000 2.534 154 M HA 0.385 4.864 4.480 -0.001 0.000 0.280 154 M C -1.467 174.990 176.300 0.261 0.000 1.217 154 M CA -1.174 54.322 55.300 0.326 0.000 0.893 154 M CB 1.951 34.707 32.600 0.260 0.000 1.730 154 M HN 0.134 nan 8.290 nan 0.000 0.483 155 V N 3.208 123.279 119.914 0.261 0.000 2.384 155 V HA 0.575 4.695 4.120 -0.001 0.000 0.287 155 V C -0.492 175.642 176.094 0.067 0.000 1.020 155 V CA -0.383 61.978 62.300 0.102 0.000 0.850 155 V CB 1.624 33.542 31.823 0.158 0.000 0.987 155 V HN 0.714 nan 8.190 nan 0.000 0.436 156 I N 5.032 125.515 120.570 -0.144 0.000 2.410 156 I HA 0.334 4.503 4.170 -0.001 0.000 0.286 156 I C -0.240 175.908 176.117 0.053 0.000 1.009 156 I CA -0.847 60.411 61.300 -0.070 0.000 1.111 156 I CB 2.120 39.903 38.000 -0.363 0.000 1.262 156 I HN 0.253 nan 8.210 nan 0.000 0.443 157 V N 5.142 125.173 119.914 0.196 0.000 2.364 157 V HA 0.009 4.128 4.120 -0.001 0.000 0.252 157 V C -0.068 176.180 176.094 0.257 0.000 1.075 157 V CA 0.293 62.790 62.300 0.328 0.000 1.033 157 V CB 0.351 32.391 31.823 0.363 0.000 1.116 157 V HN 0.625 nan 8.190 nan 0.000 0.488 158 D N 7.438 127.939 120.400 0.170 0.000 2.477 158 D HA 0.356 4.995 4.640 -0.001 0.000 0.239 158 D C -2.698 173.337 176.300 -0.443 0.000 1.102 158 D CA -2.175 51.799 54.000 -0.044 0.000 0.901 158 D CB 1.585 42.438 40.800 0.090 0.000 1.026 158 D HN 0.254 nan 8.370 nan 0.000 0.515 159 P HA 0.146 nan 4.420 nan 0.000 0.266 159 P C -0.224 176.676 177.300 -0.666 0.000 1.215 159 P CA 0.029 62.401 63.100 -1.213 0.000 0.763 159 P CB 0.425 31.690 31.700 -0.725 0.000 0.806 160 N N 2.765 121.058 118.700 -0.678 0.000 2.909 160 N HA -0.181 4.558 4.740 -0.001 0.000 0.242 160 N C 0.846 176.225 175.510 -0.218 0.000 0.975 160 N CA 1.516 54.337 53.050 -0.382 0.000 0.921 160 N CB -1.786 36.525 38.487 -0.294 0.000 1.112 160 N HN 0.803 nan 8.380 nan 0.000 0.581 161 G N 0.042 108.729 108.800 -0.189 0.000 2.225 161 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.267 161 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.267 161 G C 0.572 175.429 174.900 -0.071 0.000 1.024 161 G CA 1.033 46.093 45.100 -0.066 0.000 0.784 161 G HN 0.522 nan 8.290 nan 0.000 0.507 162 D N -0.196 120.145 120.400 -0.099 0.000 2.097 162 D HA -0.044 4.595 4.640 -0.001 0.000 0.195 162 D C 2.684 178.925 176.300 -0.098 0.000 0.989 162 D CA 1.500 55.437 54.000 -0.105 0.000 0.827 162 D CB -0.053 40.681 40.800 -0.110 0.000 0.966 162 D HN 0.393 nan 8.370 nan 0.000 0.456 163 M N -0.119 119.481 119.600 0.001 0.000 2.229 163 M HA -0.022 4.457 4.480 -0.001 0.000 0.264 163 M C 2.052 178.489 176.300 0.229 0.000 1.063 163 M CA 0.624 56.006 55.300 0.135 0.000 1.114 163 M CB -0.690 32.040 32.600 0.218 0.000 1.387 163 M HN 0.137 nan 8.290 nan 0.000 0.420 164 L N 0.997 122.303 121.223 0.140 0.000 1.994 164 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 164 L C 2.682 179.405 176.870 -0.244 0.000 1.071 164 L CA 2.426 57.124 54.840 -0.236 0.000 0.745 164 L CB -0.985 40.919 42.059 -0.259 0.000 0.892 164 L HN 0.416 nan 8.230 nan 0.000 0.431 165 S N -1.270 114.323 115.700 -0.179 0.000 2.419 165 S HA -0.177 4.292 4.470 -0.001 0.000 0.235 165 S C 1.875 176.333 174.600 -0.237 0.000 1.019 165 S CA 1.143 59.236 58.200 -0.180 0.000 0.982 165 S CB -0.507 62.610 63.200 -0.138 0.000 0.789 165 S HN 0.497 nan 8.310 nan 0.000 0.490 166 K N -0.025 120.149 120.400 -0.377 0.000 2.276 166 K HA 0.259 4.578 4.320 -0.001 0.000 0.198 166 K C 0.683 176.864 176.600 -0.698 0.000 1.052 166 K CA 0.600 56.498 56.287 -0.648 0.000 0.984 166 K CB -0.188 31.632 32.500 -1.133 0.000 0.836 166 K HN 0.566 nan 8.250 nan 0.000 0.490 167 F N 0.498 120.432 119.950 -0.026 0.000 2.706 167 F HA 0.300 4.826 4.527 -0.001 0.000 0.313 167 F C 1.152 176.969 175.800 0.030 0.000 1.096 167 F CA -0.978 57.052 58.000 0.051 0.000 1.219 167 F CB -0.066 38.999 39.000 0.109 0.000 1.051 167 F HN -0.186 nan 8.300 nan 0.000 0.568 168 G N 1.784 110.539 108.800 -0.076 0.000 2.343 168 G HA2 0.413 4.372 3.960 -0.001 0.000 0.254 168 G HA3 0.413 4.372 3.960 -0.001 0.000 0.254 168 G C 0.148 174.984 174.900 -0.107 0.000 1.277 168 G CA -0.271 44.643 45.100 -0.311 0.000 0.909 168 G HN 0.160 nan 8.290 nan 0.000 0.502 169 R N 1.251 121.728 120.500 -0.039 0.000 2.893 169 R HA 0.293 4.632 4.340 -0.001 0.000 0.245 169 R C 0.436 176.731 176.300 -0.008 0.000 1.192 169 R CA -0.976 55.132 56.100 0.015 0.000 1.077 169 R CB 1.134 31.483 30.300 0.082 0.000 1.253 169 R HN 0.455 nan 8.270 nan 0.000 0.505 170 D N 1.263 121.670 120.400 0.012 0.000 2.144 170 D HA -0.154 4.485 4.640 -0.001 0.000 0.200 170 D C 1.238 177.557 176.300 0.032 0.000 0.978 170 D CA 1.539 55.544 54.000 0.008 0.000 0.833 170 D CB 0.102 40.910 40.800 0.014 0.000 0.961 170 D HN 0.472 nan 8.370 nan 0.000 0.470 171 K N 0.768 121.207 120.400 0.064 0.000 2.487 171 K HA 0.016 4.335 4.320 -0.001 0.000 0.192 171 K C 0.012 176.701 176.600 0.148 0.000 1.027 171 K CA 0.171 56.518 56.287 0.099 0.000 1.054 171 K CB 0.290 32.851 32.500 0.102 0.000 0.824 171 K HN -0.129 nan 8.250 nan 0.000 0.510 172 D N 1.582 122.061 120.400 0.131 0.000 2.304 172 D HA 0.149 4.788 4.640 -0.001 0.000 0.247 172 D C 0.151 176.519 176.300 0.114 0.000 1.089 172 D CA -0.304 53.815 54.000 0.199 0.000 0.910 172 D CB 0.987 41.912 40.800 0.208 0.000 1.199 172 D HN -0.017 nan 8.370 nan 0.000 0.426 173 I N 1.812 122.471 120.570 0.148 0.000 2.499 173 I HA 0.373 4.543 4.170 -0.001 0.000 0.296 173 I C 0.582 176.618 176.117 -0.136 0.000 0.992 173 I CA -0.522 60.726 61.300 -0.087 0.000 1.297 173 I CB 0.676 38.489 38.000 -0.311 0.000 1.410 173 I HN 0.180 nan 8.210 nan 0.000 0.507 174 I N 5.691 126.108 120.570 -0.256 0.000 2.582 174 I HA 0.415 4.584 4.170 -0.001 0.000 0.292 174 I C -0.849 175.055 176.117 -0.354 0.000 1.066 174 I CA -0.627 60.547 61.300 -0.210 0.000 1.053 174 I CB 2.492 40.410 38.000 -0.138 0.000 1.241 174 I HN 0.228 nan 8.210 nan 0.000 0.421 175 L N 5.888 126.876 121.223 -0.391 0.000 2.345 175 L HA 0.528 4.867 4.340 -0.001 0.000 0.274 175 L C -0.769 175.961 176.870 -0.233 0.000 0.999 175 L CA -0.287 54.183 54.840 -0.616 0.000 0.849 175 L CB 1.309 42.525 42.059 -1.405 0.000 1.220 175 L HN 0.538 nan 8.230 nan 0.000 0.422 176 N N 4.838 123.564 118.700 0.043 0.000 2.905 176 N HA 0.185 4.924 4.740 -0.001 0.000 0.255 176 N C -2.293 173.436 175.510 0.364 0.000 1.199 176 N CA -1.124 52.127 53.050 0.334 0.000 0.911 176 N CB 2.418 41.106 38.487 0.335 0.000 1.550 176 N HN 0.090 nan 8.380 nan 0.000 0.599 177 P HA -0.104 nan 4.420 nan 0.000 0.224 177 P C 0.079 177.485 177.300 0.177 0.000 1.142 177 P CA 1.186 64.486 63.100 0.333 0.000 0.778 177 P CB 0.084 32.003 31.700 0.365 0.000 0.764 178 Y N -1.230 119.207 120.300 0.228 0.000 2.584 178 Y HA 0.320 4.869 4.550 -0.001 0.000 0.254 178 Y C 0.732 176.727 175.900 0.159 0.000 1.177 178 Y CA -1.130 57.118 58.100 0.247 0.000 1.216 178 Y CB 0.067 38.754 38.460 0.377 0.000 1.172 178 Y HN -0.072 nan 8.280 nan 0.000 0.529 179 D N 0.482 120.992 120.400 0.184 0.000 2.278 179 D HA 0.070 4.709 4.640 -0.001 0.000 0.245 179 D C 0.763 177.005 176.300 -0.096 0.000 1.052 179 D CA -0.135 53.816 54.000 -0.082 0.000 0.834 179 D CB 1.770 42.584 40.800 0.024 0.000 1.194 179 D HN 0.176 nan 8.370 nan 0.000 0.481 180 Q N 2.883 122.581 119.800 -0.171 0.000 2.181 180 Q HA -0.166 4.173 4.340 -0.001 0.000 0.205 180 Q C 1.102 177.050 176.000 -0.086 0.000 0.980 180 Q CA 1.330 57.063 55.803 -0.116 0.000 0.862 180 Q CB 0.296 28.956 28.738 -0.131 0.000 0.905 180 Q HN 0.410 nan 8.270 nan 0.000 0.429 181 R N -0.291 120.150 120.500 -0.098 0.000 2.313 181 R HA 0.082 4.421 4.340 -0.001 0.000 0.199 181 R C 0.510 176.758 176.300 -0.087 0.000 0.958 181 R CA 0.180 56.228 56.100 -0.086 0.000 1.047 181 R CB 0.137 30.376 30.300 -0.100 0.000 0.955 181 R HN 0.058 nan 8.270 nan 0.000 0.481 182 T N 1.693 116.202 114.554 -0.075 0.000 2.903 182 T HA 0.044 4.394 4.350 -0.001 0.000 0.314 182 T C 0.507 175.145 174.700 -0.103 0.000 1.078 182 T CA 0.112 62.153 62.100 -0.100 0.000 1.114 182 T CB 0.686 69.530 68.868 -0.040 0.000 0.987 182 T HN -0.105 nan 8.240 nan 0.000 0.548 183 K N 1.097 121.379 120.400 -0.196 0.000 2.090 183 K HA 0.476 4.795 4.320 -0.001 0.000 0.250 183 K C 0.613 177.219 176.600 0.011 0.000 1.004 183 K CA -0.497 55.705 56.287 -0.143 0.000 0.919 183 K CB 0.709 32.953 32.500 -0.427 0.000 1.045 183 K HN 0.749 nan 8.250 nan 0.000 0.471 184 G N 0.065 108.946 108.800 0.136 0.000 2.377 184 G HA2 0.416 4.375 3.960 -0.001 0.000 0.299 184 G HA3 0.416 4.375 3.960 -0.001 0.000 0.299 184 G C -1.440 173.696 174.900 0.393 0.000 1.150 184 G CA -0.353 44.877 45.100 0.217 0.000 0.847 184 G HN 0.563 nan 8.290 nan 0.000 0.501 185 W N 1.270 122.686 121.300 0.193 0.000 3.146 185 W HA 0.590 5.249 4.660 -0.001 0.000 0.319 185 W C -0.811 175.894 176.519 0.309 0.000 1.258 185 W CA -0.722 56.785 57.345 0.271 0.000 1.189 185 W CB 1.857 31.506 29.460 0.315 0.000 1.412 185 W HN 0.900 nan 8.180 nan 0.000 0.567 186 S N 3.708 118.908 115.700 -0.833 0.000 2.537 186 S HA 0.299 4.768 4.470 -0.001 0.000 0.271 186 S C 0.098 173.897 174.600 -1.335 0.000 1.148 186 S CA -0.256 57.478 58.200 -0.776 0.000 0.868 186 S CB 0.235 63.368 63.200 -0.112 0.000 1.115 186 S HN 1.053 nan 8.310 nan 0.000 0.461 187 F N 2.719 121.999 119.950 -1.117 0.000 2.373 187 F HA 0.181 4.707 4.527 -0.001 0.000 0.300 187 F C 0.991 176.526 175.800 -0.441 0.000 1.080 187 F CA 0.647 58.276 58.000 -0.618 0.000 1.417 187 F CB -0.790 38.080 39.000 -0.216 0.000 1.070 187 F HN 0.507 nan 8.300 nan 0.000 0.546 188 F N 1.609 120.938 119.950 -1.035 0.000 2.216 188 F HA -0.135 4.392 4.527 -0.001 0.000 0.300 188 F C 1.840 177.303 175.800 -0.563 0.000 1.085 188 F CA 1.339 58.810 58.000 -0.882 0.000 1.326 188 F CB -0.934 37.725 39.000 -0.570 0.000 1.027 188 F HN 0.021 nan 8.300 nan 0.000 0.497 189 N N 0.157 118.693 118.700 -0.272 0.000 2.585 189 N HA -0.116 4.624 4.740 -0.001 0.000 0.188 189 N C 1.190 176.591 175.510 -0.181 0.000 1.102 189 N CA 0.764 53.708 53.050 -0.176 0.000 0.920 189 N CB -0.306 38.121 38.487 -0.099 0.000 0.963 189 N HN 0.367 nan 8.380 nan 0.000 0.447 190 E N -0.181 119.833 120.200 -0.310 0.000 2.473 190 E HA 0.138 4.487 4.350 -0.001 0.000 0.204 190 E C 0.271 176.518 176.600 -0.589 0.000 0.994 190 E CA -0.132 56.006 56.400 -0.436 0.000 0.945 190 E CB 0.818 30.126 29.700 -0.653 0.000 0.990 190 E HN 0.215 nan 8.360 nan 0.000 0.493 191 I N 2.571 122.800 120.570 -0.568 0.000 2.452 191 I HA 0.075 4.244 4.170 -0.001 0.000 0.287 191 I C 1.385 177.277 176.117 -0.374 0.000 1.079 191 I CA 0.297 61.242 61.300 -0.591 0.000 1.387 191 I CB 0.560 38.008 38.000 -0.921 0.000 1.404 191 I HN -0.091 nan 8.210 nan 0.000 0.522 192 R N 4.083 124.396 120.500 -0.311 0.000 2.197 192 R HA 0.248 4.587 4.340 -0.001 0.000 0.188 192 R C 0.342 176.517 176.300 -0.209 0.000 1.015 192 R CA 0.260 56.237 56.100 -0.206 0.000 1.132 192 R CB 0.035 30.248 30.300 -0.145 0.000 1.134 192 R HN 0.561 nan 8.270 nan 0.000 0.560 193 N N 0.816 119.321 118.700 -0.325 0.000 2.671 193 N HA 0.049 4.788 4.740 -0.001 0.000 0.303 193 N C 0.381 175.737 175.510 -0.257 0.000 1.277 193 N CA -0.329 52.527 53.050 -0.323 0.000 0.933 193 N CB 0.683 38.824 38.487 -0.577 0.000 1.190 193 N HN -0.095 nan 8.380 nan 0.000 0.600 194 D N -0.655 119.693 120.400 -0.086 0.000 2.162 194 D HA -0.118 4.521 4.640 -0.001 0.000 0.203 194 D C 1.599 178.030 176.300 0.219 0.000 0.967 194 D CA 0.988 55.092 54.000 0.173 0.000 0.840 194 D CB -0.060 40.854 40.800 0.190 0.000 0.972 194 D HN 0.617 nan 8.370 nan 0.000 0.482 195 Y N -0.361 120.044 120.300 0.175 0.000 2.639 195 Y HA 0.097 4.646 4.550 -0.001 0.000 0.297 195 Y C 1.111 177.104 175.900 0.154 0.000 1.151 195 Y CA 0.450 58.643 58.100 0.154 0.000 1.335 195 Y CB -0.660 37.859 38.460 0.098 0.000 0.994 195 Y HN -0.107 nan 8.280 nan 0.000 0.548 196 D N -0.131 120.237 120.400 -0.054 0.000 2.317 196 D HA -0.122 4.517 4.640 -0.001 0.000 0.211 196 D C 1.255 177.688 176.300 0.222 0.000 0.966 196 D CA 0.879 54.950 54.000 0.119 0.000 0.876 196 D CB -0.426 40.318 40.800 -0.094 0.000 0.927 196 D HN 0.555 nan 8.370 nan 0.000 0.519 197 W N 1.171 122.606 121.300 0.225 0.000 2.379 197 W HA -0.160 4.499 4.660 -0.002 0.000 0.307 197 W C 2.662 179.310 176.519 0.215 0.000 1.200 197 W CA 0.409 57.892 57.345 0.229 0.000 1.297 197 W CB -0.210 29.345 29.460 0.158 0.000 1.140 197 W HN -0.058 nan 8.180 nan 0.000 0.507 198 Q N 1.076 121.116 119.800 0.401 0.000 2.137 198 Q HA -0.127 4.212 4.340 -0.001 0.000 0.198 198 Q C 2.172 178.268 176.000 0.161 0.000 0.960 198 Q CA 1.718 57.668 55.803 0.245 0.000 0.847 198 Q CB -0.562 28.289 28.738 0.188 0.000 0.915 198 Q HN 0.246 nan 8.270 nan 0.000 0.448 199 R N -1.035 119.554 120.500 0.147 0.000 2.112 199 R HA -0.213 4.126 4.340 -0.001 0.000 0.242 199 R C 1.360 177.520 176.300 -0.233 0.000 1.137 199 R CA 2.052 58.118 56.100 -0.057 0.000 0.944 199 R CB -0.457 29.808 30.300 -0.057 0.000 0.857 199 R HN 0.382 nan 8.270 nan 0.000 0.435 200 Y N -0.519 119.883 120.300 0.170 0.000 2.490 200 Y HA 0.244 4.793 4.550 -0.001 0.000 0.281 200 Y C 1.970 177.932 175.900 0.105 0.000 1.174 200 Y CA 0.340 58.548 58.100 0.180 0.000 1.295 200 Y CB 0.241 38.852 38.460 0.252 0.000 1.062 200 Y HN 0.263 nan 8.280 nan 0.000 0.522 201 A N -0.331 122.586 122.820 0.161 0.000 1.970 201 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 201 A C 1.924 179.514 177.584 0.010 0.000 1.170 201 A CA 0.902 52.965 52.037 0.044 0.000 0.645 201 A CB -0.483 18.582 19.000 0.108 0.000 0.816 201 A HN 0.289 nan 8.150 nan 0.000 0.447 202 L N 0.330 121.568 121.223 0.024 0.000 2.191 202 L HA -0.066 4.273 4.340 -0.001 0.000 0.212 202 L C 2.428 179.303 176.870 0.008 0.000 1.103 202 L CA 1.905 56.747 54.840 0.003 0.000 0.769 202 L CB -1.328 40.724 42.059 -0.012 0.000 0.908 202 L HN 0.340 nan 8.230 nan 0.000 0.438 203 S N -1.232 114.489 115.700 0.036 0.000 2.406 203 S HA -0.032 4.438 4.470 -0.001 0.000 0.224 203 S C 2.064 176.706 174.600 0.070 0.000 1.030 203 S CA 0.566 58.818 58.200 0.086 0.000 0.958 203 S CB 0.154 63.477 63.200 0.204 0.000 0.811 203 S HN 0.205 nan 8.310 nan 0.000 0.489 204 V N 1.294 121.209 119.914 0.003 0.000 2.379 204 V HA 0.036 4.156 4.120 -0.001 0.000 0.245 204 V C 0.758 176.795 176.094 -0.095 0.000 1.044 204 V CA 0.951 63.181 62.300 -0.116 0.000 1.036 204 V CB -0.300 31.274 31.823 -0.415 0.000 0.664 204 V HN 0.272 nan 8.190 nan 0.000 0.453 205 V N 3.457 123.328 119.914 -0.071 0.000 2.239 205 V HA 0.312 4.431 4.120 -0.001 0.000 0.267 205 V C -2.082 173.998 176.094 -0.022 0.000 1.056 205 V CA -1.770 60.507 62.300 -0.037 0.000 0.830 205 V CB 0.628 32.437 31.823 -0.023 0.000 1.090 205 V HN 0.323 nan 8.190 nan 0.000 0.459 206 P HA 0.085 nan 4.420 nan 0.000 0.272 206 P C -0.125 177.143 177.300 -0.053 0.000 1.248 206 P CA -0.420 62.658 63.100 -0.037 0.000 0.799 206 P CB 0.720 32.390 31.700 -0.050 0.000 0.997 207 R N -0.029 120.426 120.500 -0.074 0.000 2.585 207 R HA 0.197 4.536 4.340 -0.001 0.000 0.275 207 R C 1.062 177.292 176.300 -0.117 0.000 1.018 207 R CA 0.354 56.398 56.100 -0.092 0.000 1.072 207 R CB -0.902 29.337 30.300 -0.103 0.000 0.953 207 R HN 0.625 nan 8.270 nan 0.000 0.419 208 G N 1.362 110.095 108.800 -0.112 0.000 2.527 208 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.248 208 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.248 208 G C 0.877 175.686 174.900 -0.152 0.000 1.231 208 G CA -0.411 44.612 45.100 -0.129 0.000 0.838 208 G HN 0.648 nan 8.290 nan 0.000 0.570 209 K N -0.216 120.096 120.400 -0.146 0.000 2.057 209 K HA -0.072 4.247 4.320 -0.001 0.000 0.207 209 K C 1.364 177.884 176.600 -0.135 0.000 1.049 209 K CA 1.615 57.819 56.287 -0.138 0.000 0.931 209 K CB -0.208 32.227 32.500 -0.109 0.000 0.714 209 K HN 0.634 nan 8.250 nan 0.000 0.440 210 T N -1.915 112.538 114.554 -0.169 0.000 2.937 210 T HA 0.187 4.536 4.350 -0.001 0.000 0.283 210 T C 0.547 175.120 174.700 -0.211 0.000 1.012 210 T CA -0.909 61.086 62.100 -0.175 0.000 0.997 210 T CB 1.306 70.058 68.868 -0.194 0.000 1.136 210 T HN -0.059 nan 8.240 nan 0.000 0.551 211 D N -0.034 120.254 120.400 -0.186 0.000 2.117 211 D HA -0.098 4.541 4.640 -0.001 0.000 0.198 211 D C 1.805 177.937 176.300 -0.281 0.000 0.982 211 D CA 1.220 55.110 54.000 -0.185 0.000 0.828 211 D CB -0.043 40.681 40.800 -0.126 0.000 0.967 211 D HN 0.847 nan 8.370 nan 0.000 0.464 212 E N 0.742 120.729 120.200 -0.355 0.000 2.077 212 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 212 E C 1.968 177.899 176.600 -1.116 0.000 0.989 212 E CA 1.068 57.126 56.400 -0.571 0.000 0.800 212 E CB 0.043 29.451 29.700 -0.487 0.000 0.746 212 E HN 0.135 nan 8.360 nan 0.000 0.452 213 A N 0.821 123.050 122.820 -0.985 0.000 1.969 213 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 213 A C 2.001 179.322 177.584 -0.440 0.000 1.169 213 A CA 1.663 53.154 52.037 -0.911 0.000 0.635 213 A CB -0.438 18.285 19.000 -0.462 0.000 0.810 213 A HN 0.313 nan 8.150 nan 0.000 0.445 214 E N 0.340 120.334 120.200 -0.344 0.000 2.274 214 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 214 E C 1.805 178.274 176.600 -0.219 0.000 0.996 214 E CA 1.332 57.608 56.400 -0.207 0.000 0.840 214 E CB -0.236 29.364 29.700 -0.168 0.000 0.772 214 E HN 0.723 nan 8.360 nan 0.000 0.491 215 E N -0.644 119.368 120.200 -0.313 0.000 2.028 215 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 215 E C 1.385 177.805 176.600 -0.300 0.000 0.988 215 E CA 1.435 57.642 56.400 -0.321 0.000 0.799 215 E CB -0.235 29.318 29.700 -0.245 0.000 0.755 215 E HN 0.349 nan 8.360 nan 0.000 0.447 216 W N 0.559 121.786 121.300 -0.121 0.000 2.358 216 W HA -0.030 4.630 4.660 -0.000 0.000 0.303 216 W C 2.489 179.014 176.519 0.011 0.000 1.208 216 W CA 0.842 58.215 57.345 0.047 0.000 1.274 216 W CB -1.410 28.116 29.460 0.110 0.000 1.138 216 W HN 0.242 nan 8.180 nan 0.000 0.515 217 A N 0.359 123.285 122.820 0.177 0.000 1.940 217 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 217 A C 2.255 179.870 177.584 0.051 0.000 1.176 217 A CA 2.472 54.567 52.037 0.097 0.000 0.631 217 A CB -1.079 17.933 19.000 0.020 0.000 0.814 217 A HN 0.197 nan 8.150 nan 0.000 0.446 218 S N -1.315 114.352 115.700 -0.055 0.000 2.368 218 S HA -0.144 4.325 4.470 -0.001 0.000 0.225 218 S C 1.793 176.429 174.600 0.060 0.000 1.030 218 S CA 1.553 59.706 58.200 -0.077 0.000 0.999 218 S CB -0.512 62.552 63.200 -0.225 0.000 0.844 218 S HN 0.681 nan 8.310 nan 0.000 0.459 219 Y N 1.535 121.968 120.300 0.221 0.000 2.293 219 Y HA 0.072 4.622 4.550 -0.001 0.000 0.291 219 Y C 2.608 178.662 175.900 0.256 0.000 1.137 219 Y CA 0.146 58.440 58.100 0.323 0.000 1.202 219 Y CB -1.308 37.350 38.460 0.331 0.000 0.990 219 Y HN 0.296 nan 8.280 nan 0.000 0.537 220 G N -0.125 108.850 108.800 0.292 0.000 2.402 220 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 220 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 220 G C 1.822 176.804 174.900 0.136 0.000 1.162 220 G CA 0.492 45.693 45.100 0.169 0.000 0.777 220 G HN 0.289 nan 8.290 nan 0.000 0.539 221 R N -0.541 120.035 120.500 0.127 0.000 2.090 221 R HA 0.053 4.392 4.340 -0.001 0.000 0.228 221 R C 2.421 178.806 176.300 0.141 0.000 1.110 221 R CA 0.908 57.066 56.100 0.097 0.000 0.973 221 R CB -0.472 29.872 30.300 0.073 0.000 0.869 221 R HN 0.381 nan 8.270 nan 0.000 0.440 222 L N 1.126 122.469 121.223 0.201 0.000 1.994 222 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 222 L C 2.012 179.030 176.870 0.246 0.000 1.071 222 L CA 1.635 56.596 54.840 0.203 0.000 0.745 222 L CB -0.737 41.461 42.059 0.231 0.000 0.892 222 L HN 0.100 nan 8.230 nan 0.000 0.431 223 L N -0.983 120.456 121.223 0.360 0.000 2.046 223 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 223 L C 2.351 179.310 176.870 0.149 0.000 1.077 223 L CA 1.871 56.881 54.840 0.283 0.000 0.747 223 L CB -0.797 41.332 42.059 0.116 0.000 0.896 223 L HN 0.454 nan 8.230 nan 0.000 0.432 224 L N 0.219 121.509 121.223 0.112 0.000 1.976 224 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 224 L C 2.852 179.792 176.870 0.118 0.000 1.071 224 L CA 2.335 57.218 54.840 0.072 0.000 0.746 224 L CB -0.727 41.325 42.059 -0.010 0.000 0.890 224 L HN 0.463 nan 8.230 nan 0.000 0.432 225 R N -1.203 119.376 120.500 0.132 0.000 2.115 225 R HA -0.150 4.189 4.340 -0.001 0.000 0.230 225 R C 1.992 178.245 176.300 -0.079 0.000 1.111 225 R CA 1.433 57.617 56.100 0.141 0.000 0.976 225 R CB -0.685 29.748 30.300 0.223 0.000 0.870 225 R HN 0.325 nan 8.270 nan 0.000 0.445 226 E N 0.837 121.027 120.200 -0.016 0.000 2.107 226 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 226 E C 1.592 178.172 176.600 -0.034 0.000 0.982 226 E CA 1.698 58.059 56.400 -0.066 0.000 0.809 226 E CB -0.117 29.584 29.700 0.002 0.000 0.756 226 E HN 0.341 nan 8.360 nan 0.000 0.459 227 T N -0.225 114.373 114.554 0.074 0.000 2.942 227 T HA 0.028 4.377 4.350 -0.001 0.000 0.265 227 T C 1.692 176.504 174.700 0.188 0.000 1.062 227 T CA 0.992 63.197 62.100 0.176 0.000 1.139 227 T CB -0.141 68.827 68.868 0.166 0.000 0.883 227 T HN 0.261 nan 8.240 nan 0.000 0.468 228 A N 1.740 124.645 122.820 0.143 0.000 1.897 228 A HA 0.003 4.322 4.320 -0.001 0.000 0.215 228 A C 2.233 179.780 177.584 -0.063 0.000 1.181 228 A CA 1.182 53.389 52.037 0.283 0.000 0.620 228 A CB -0.343 18.918 19.000 0.435 0.000 0.821 228 A HN 0.369 nan 8.150 nan 0.000 0.443 229 K N -0.163 119.822 120.400 -0.693 0.000 2.044 229 K HA -0.238 4.081 4.320 -0.001 0.000 0.210 229 K C 2.243 178.675 176.600 -0.281 0.000 1.049 229 K CA 2.039 57.782 56.287 -0.908 0.000 0.927 229 K CB -0.175 31.834 32.500 -0.817 0.000 0.713 229 K HN 0.532 nan 8.250 nan 0.000 0.443 230 K N 1.222 121.525 120.400 -0.160 0.000 2.025 230 K HA -0.108 4.212 4.320 -0.001 0.000 0.207 230 K C 2.085 178.695 176.600 0.018 0.000 1.049 230 K CA 1.037 57.261 56.287 -0.104 0.000 0.933 230 K CB -0.081 32.296 32.500 -0.205 0.000 0.714 230 K HN 0.047 nan 8.250 nan 0.000 0.438 231 L N 0.649 121.968 121.223 0.160 0.000 2.127 231 L HA -0.185 4.154 4.340 -0.001 0.000 0.211 231 L C 2.631 179.531 176.870 0.050 0.000 1.089 231 L CA 1.236 56.180 54.840 0.172 0.000 0.757 231 L CB -0.584 41.619 42.059 0.241 0.000 0.899 231 L HN 0.369 nan 8.230 nan 0.000 0.434 232 A N -0.160 122.707 122.820 0.078 0.000 1.930 232 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 232 A C 2.259 179.860 177.584 0.028 0.000 1.175 232 A CA 1.107 53.172 52.037 0.047 0.000 0.627 232 A CB -0.471 18.726 19.000 0.329 0.000 0.815 232 A HN 0.323 nan 8.150 nan 0.000 0.443 233 L N -0.096 121.138 121.223 0.018 0.000 1.994 233 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 233 L C 2.272 179.130 176.870 -0.021 0.000 1.071 233 L CA 1.723 56.557 54.840 -0.010 0.000 0.745 233 L CB -0.478 41.552 42.059 -0.049 0.000 0.892 233 L HN 0.666 nan 8.230 nan 0.000 0.431 234 I N -2.260 118.295 120.570 -0.025 0.000 3.620 234 I HA 0.179 4.348 4.170 -0.001 0.000 0.305 234 I C 1.219 177.334 176.117 -0.003 0.000 1.243 234 I CA 0.615 61.905 61.300 -0.017 0.000 1.196 234 I CB -0.898 37.095 38.000 -0.011 0.000 1.004 234 I HN 0.343 nan 8.210 nan 0.000 0.487 235 G N 1.963 110.753 108.800 -0.016 0.000 2.166 235 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.260 235 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.260 235 G C 0.405 175.279 174.900 -0.042 0.000 0.986 235 G CA 0.603 45.685 45.100 -0.030 0.000 0.683 235 G HN 0.705 nan 8.290 nan 0.000 0.527 236 T N -0.935 113.600 114.554 -0.033 0.000 3.377 236 T HA 0.578 4.928 4.350 -0.001 0.000 0.270 236 T C -1.907 172.723 174.700 -0.117 0.000 1.586 236 T CA -1.051 61.028 62.100 -0.035 0.000 1.487 236 T CB 1.860 70.757 68.868 0.049 0.000 0.994 236 T HN 0.238 nan 8.240 nan 0.000 0.689 237 P HA 0.193 nan 4.420 nan 0.000 0.231 237 P C -0.219 176.706 177.300 -0.626 0.000 1.756 237 P CA 0.116 62.725 63.100 -0.818 0.000 0.990 237 P CB -0.139 30.968 31.700 -0.989 0.000 1.973 238 S N 1.482 117.077 115.700 -0.176 0.000 2.475 238 S HA 0.395 4.865 4.470 -0.001 0.000 0.298 238 S C 1.402 176.153 174.600 0.252 0.000 1.119 238 S CA -0.729 57.494 58.200 0.038 0.000 1.085 238 S CB 0.653 63.885 63.200 0.053 0.000 1.028 238 S HN -0.060 nan 8.310 nan 0.000 0.489 239 M N 3.582 123.360 119.600 0.297 0.000 2.200 239 M HA 0.031 4.510 4.480 -0.001 0.000 0.265 239 M C 2.036 178.522 176.300 0.311 0.000 1.066 239 M CA 1.303 56.824 55.300 0.369 0.000 1.127 239 M CB -1.337 31.457 32.600 0.323 0.000 1.379 239 M HN 0.799 nan 8.290 nan 0.000 0.420 240 R N 0.291 120.923 120.500 0.220 0.000 2.115 240 R HA -0.124 4.215 4.340 -0.001 0.000 0.230 240 R C 1.983 178.420 176.300 0.229 0.000 1.111 240 R CA 1.130 57.349 56.100 0.199 0.000 0.976 240 R CB 0.159 30.524 30.300 0.109 0.000 0.870 240 R HN 0.225 nan 8.270 nan 0.000 0.445 241 E N 0.521 120.845 120.200 0.206 0.000 2.051 241 E HA -0.148 4.202 4.350 -0.001 0.000 0.189 241 E C 1.926 178.717 176.600 0.318 0.000 0.979 241 E CA 0.720 57.243 56.400 0.204 0.000 0.803 241 E CB -0.211 29.625 29.700 0.227 0.000 0.761 241 E HN 0.250 nan 8.360 nan 0.000 0.451 242 L N 0.468 121.906 121.223 0.359 0.000 2.042 242 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 242 L C 2.272 179.296 176.870 0.257 0.000 1.076 242 L CA 1.544 56.596 54.840 0.354 0.000 0.749 242 L CB -0.633 41.679 42.059 0.422 0.000 0.893 242 L HN 0.063 nan 8.230 nan 0.000 0.432 243 F N -0.829 119.208 119.950 0.146 0.000 2.216 243 F HA -0.231 4.296 4.527 -0.001 0.000 0.300 243 F C 2.602 178.407 175.800 0.008 0.000 1.085 243 F CA 1.922 59.966 58.000 0.074 0.000 1.326 243 F CB -0.417 38.630 39.000 0.079 0.000 1.027 243 F HN 0.360 nan 8.300 nan 0.000 0.497 244 H N -1.017 118.026 119.070 -0.045 0.000 2.307 244 H HA -0.188 4.368 4.556 -0.001 0.000 0.303 244 H C 2.078 177.146 175.328 -0.434 0.000 1.073 244 H CA 2.374 58.254 56.048 -0.279 0.000 1.338 244 H CB -0.962 28.590 29.762 -0.349 0.000 1.389 244 H HN 0.410 nan 8.280 nan 0.000 0.503 245 W N 1.097 122.326 121.300 -0.118 0.000 2.355 245 W HA -0.188 4.471 4.660 -0.001 0.000 0.309 245 W C 2.997 179.338 176.519 -0.297 0.000 1.206 245 W CA 2.182 59.371 57.345 -0.260 0.000 1.284 245 W CB -0.514 28.672 29.460 -0.455 0.000 1.145 245 W HN 0.336 nan 8.180 nan 0.000 0.502 246 T N -4.729 109.792 114.554 -0.055 0.000 3.023 246 T HA -0.004 4.346 4.350 -0.001 0.000 0.266 246 T C 1.361 175.876 174.700 -0.309 0.000 1.093 246 T CA 1.648 63.659 62.100 -0.148 0.000 1.129 246 T CB -0.290 68.519 68.868 -0.098 0.000 0.899 246 T HN -0.025 nan 8.240 nan 0.000 0.491 247 T N 0.735 114.989 114.554 -0.499 0.000 3.058 247 T HA 0.375 4.724 4.350 -0.001 0.000 0.247 247 T C 1.557 175.937 174.700 -0.535 0.000 0.987 247 T CA -0.116 61.617 62.100 -0.612 0.000 1.062 247 T CB 0.239 68.433 68.868 -1.123 0.000 1.048 247 T HN 0.166 nan 8.240 nan 0.000 0.468 248 I N 1.742 121.930 120.570 -0.638 0.000 2.628 248 I HA 0.342 4.511 4.170 -0.001 0.000 0.255 248 I C 1.610 177.358 176.117 -0.614 0.000 1.119 248 I CA 0.052 60.988 61.300 -0.606 0.000 1.448 248 I CB -1.648 35.925 38.000 -0.711 0.000 1.133 248 I HN 0.083 nan 8.210 nan 0.000 0.438 249 A N 2.068 124.416 122.820 -0.787 0.000 2.547 249 A HA 0.218 4.537 4.320 -0.001 0.000 0.233 249 A C 1.050 178.520 177.584 -0.191 0.000 1.067 249 A CA 0.432 52.193 52.037 -0.459 0.000 0.763 249 A CB -0.393 18.398 19.000 -0.350 0.000 1.007 249 A HN 0.540 nan 8.150 nan 0.000 0.506 250 T N -0.894 113.616 114.554 -0.074 0.000 2.748 250 T HA 0.209 4.558 4.350 -0.001 0.000 0.304 250 T C 0.873 175.626 174.700 0.089 0.000 1.041 250 T CA 0.410 62.516 62.100 0.010 0.000 1.033 250 T CB 0.075 68.965 68.868 0.038 0.000 0.995 250 T HN 0.452 nan 8.240 nan 0.000 0.536 251 F N 1.082 120.989 119.950 -0.073 0.000 2.095 251 F HA -0.052 4.475 4.527 -0.001 0.000 0.298 251 F C 2.138 177.934 175.800 -0.007 0.000 1.104 251 F CA 1.868 59.830 58.000 -0.064 0.000 1.232 251 F CB -0.618 38.336 39.000 -0.076 0.000 0.987 251 F HN 0.610 nan 8.300 nan 0.000 0.475 252 D N -0.051 120.439 120.400 0.149 0.000 2.144 252 D HA -0.157 4.482 4.640 -0.001 0.000 0.199 252 D C 1.909 178.260 176.300 0.084 0.000 0.984 252 D CA 1.417 55.468 54.000 0.085 0.000 0.834 252 D CB -0.451 40.406 40.800 0.096 0.000 0.955 252 D HN 0.318 nan 8.370 nan 0.000 0.465 253 D N 0.403 120.881 120.400 0.129 0.000 2.117 253 D HA -0.099 4.540 4.640 -0.001 0.000 0.198 253 D C 2.261 178.757 176.300 0.328 0.000 0.982 253 D CA 0.186 54.333 54.000 0.244 0.000 0.828 253 D CB -0.214 40.746 40.800 0.266 0.000 0.967 253 D HN 0.214 nan 8.370 nan 0.000 0.464 254 L N 0.745 122.095 121.223 0.212 0.000 2.027 254 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 254 L C 2.567 179.479 176.870 0.071 0.000 1.074 254 L CA 1.096 56.043 54.840 0.177 0.000 0.745 254 L CB -0.012 42.038 42.059 -0.015 0.000 0.898 254 L HN -0.079 nan 8.230 nan 0.000 0.433 255 R N -0.035 120.433 120.500 -0.052 0.000 2.112 255 R HA -0.200 4.139 4.340 -0.001 0.000 0.242 255 R C 2.100 178.398 176.300 -0.003 0.000 1.137 255 R CA 1.687 57.748 56.100 -0.065 0.000 0.944 255 R CB -1.460 28.782 30.300 -0.096 0.000 0.857 255 R HN 0.534 nan 8.270 nan 0.000 0.435 256 G N 0.189 109.007 108.800 0.031 0.000 2.446 256 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.217 256 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.217 256 G C 1.433 176.318 174.900 -0.026 0.000 1.168 256 G CA 0.621 45.732 45.100 0.018 0.000 0.771 256 G HN 0.338 nan 8.290 nan 0.000 0.551 257 F N 1.189 121.041 119.950 -0.164 0.000 2.202 257 F HA 0.025 4.551 4.527 -0.001 0.000 0.301 257 F C 2.238 177.876 175.800 -0.271 0.000 1.082 257 F CA 1.037 58.820 58.000 -0.362 0.000 1.313 257 F CB -0.013 38.533 39.000 -0.756 0.000 1.024 257 F HN 0.025 nan 8.300 nan 0.000 0.495 258 L N -0.003 121.194 121.223 -0.043 0.000 2.622 258 L HA -0.028 4.311 4.340 -0.001 0.000 0.233 258 L C 0.455 177.241 176.870 -0.141 0.000 1.156 258 L CA 0.244 55.044 54.840 -0.067 0.000 0.866 258 L CB -0.838 41.244 42.059 0.040 0.000 0.980 258 L HN 0.032 nan 8.230 nan 0.000 0.448 259 E N 0.250 120.346 120.200 -0.174 0.000 2.366 259 E HA 0.214 4.564 4.350 -0.001 0.000 0.266 259 E C 1.033 177.516 176.600 -0.195 0.000 1.015 259 E CA 0.685 56.993 56.400 -0.152 0.000 0.906 259 E CB 0.600 30.222 29.700 -0.130 0.000 0.979 259 E HN 0.289 nan 8.360 nan 0.000 0.443 260 G N 2.816 111.527 108.800 -0.148 0.000 2.213 260 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.226 260 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.226 260 G C 0.445 175.257 174.900 -0.146 0.000 0.992 260 G CA 0.233 45.244 45.100 -0.148 0.000 0.632 260 G HN 0.656 nan 8.290 nan 0.000 0.511 261 T N -1.073 113.391 114.554 -0.150 0.000 2.944 261 T HA 0.700 5.049 4.350 -0.001 0.000 0.284 261 T C 1.638 176.275 174.700 -0.104 0.000 1.010 261 T CA -0.226 61.795 62.100 -0.133 0.000 1.025 261 T CB 1.695 70.482 68.868 -0.134 0.000 1.079 261 T HN 0.257 nan 8.240 nan 0.000 0.516 262 L N 0.707 121.872 121.223 -0.096 0.000 2.265 262 L HA 0.030 4.369 4.340 -0.001 0.000 0.215 262 L C 2.686 179.487 176.870 -0.114 0.000 1.117 262 L CA 1.244 56.031 54.840 -0.089 0.000 0.782 262 L CB -0.636 41.379 42.059 -0.074 0.000 0.914 262 L HN 0.923 nan 8.230 nan 0.000 0.441 263 A N -1.065 121.686 122.820 -0.115 0.000 2.307 263 A HA -0.040 4.279 4.320 -0.001 0.000 0.218 263 A C 2.092 179.606 177.584 -0.116 0.000 1.228 263 A CA 0.071 52.005 52.037 -0.171 0.000 0.857 263 A CB -0.238 18.717 19.000 -0.074 0.000 0.897 263 A HN 0.382 nan 8.150 nan 0.000 0.495 264 E N 0.281 120.429 120.200 -0.087 0.000 2.038 264 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 264 E C 1.552 178.118 176.600 -0.057 0.000 1.000 264 E CA 1.721 58.084 56.400 -0.062 0.000 0.803 264 E CB 0.042 29.698 29.700 -0.073 0.000 0.750 264 E HN 0.561 nan 8.360 nan 0.000 0.448 265 S N 0.099 115.751 115.700 -0.080 0.000 2.486 265 S HA 0.109 4.578 4.470 -0.001 0.000 0.220 265 S C 1.895 176.437 174.600 -0.096 0.000 1.011 265 S CA -0.149 58.010 58.200 -0.068 0.000 0.921 265 S CB 0.117 63.282 63.200 -0.058 0.000 0.785 265 S HN 0.215 nan 8.310 nan 0.000 0.517 266 L N 0.119 121.228 121.223 -0.190 0.000 2.042 266 L HA -0.046 4.293 4.340 -0.001 0.000 0.210 266 L C 1.003 177.709 176.870 -0.273 0.000 1.076 266 L CA 1.236 55.898 54.840 -0.296 0.000 0.749 266 L CB -0.401 41.356 42.059 -0.503 0.000 0.893 266 L HN 0.294 nan 8.230 nan 0.000 0.432 267 F N 0.022 119.928 119.950 -0.074 0.000 2.701 267 F HA 0.435 4.961 4.527 -0.001 0.000 0.295 267 F C 0.673 176.413 175.800 -0.099 0.000 1.165 267 F CA -0.533 57.401 58.000 -0.110 0.000 1.399 267 F CB -0.592 38.321 39.000 -0.146 0.000 0.996 267 F HN -0.088 nan 8.300 nan 0.000 0.513 268 A N -1.589 121.274 122.820 0.073 0.000 2.606 268 A HA 0.689 5.008 4.320 -0.001 0.000 0.293 268 A C 0.753 178.353 177.584 0.027 0.000 1.082 268 A CA -0.124 51.940 52.037 0.044 0.000 0.685 268 A CB 1.032 20.043 19.000 0.018 0.000 1.284 268 A HN 0.564 nan 8.150 nan 0.000 0.408 269 G N -0.614 108.204 108.800 0.031 0.000 2.184 269 G HA2 0.276 4.236 3.960 -0.001 0.000 0.206 269 G HA3 0.276 4.236 3.960 -0.001 0.000 0.206 269 G C 0.301 175.217 174.900 0.026 0.000 0.995 269 G CA 0.740 45.853 45.100 0.022 0.000 0.651 269 G HN 2.751 nan 8.290 nan 0.000 0.511 270 S N -1.733 113.989 115.700 0.038 0.000 2.627 270 S HA 0.517 4.986 4.470 -0.001 0.000 0.268 270 S C 0.455 175.083 174.600 0.046 0.000 1.130 270 S CA 0.184 58.406 58.200 0.036 0.000 0.819 270 S CB 0.545 63.763 63.200 0.029 0.000 1.100 270 S HN 0.011 nan 8.310 nan 0.000 0.465 271 N N 0.915 119.638 118.700 0.038 0.000 2.188 271 N HA -0.099 4.641 4.740 -0.001 0.000 0.184 271 N C 1.493 177.026 175.510 0.039 0.000 1.018 271 N CA 1.713 54.784 53.050 0.036 0.000 0.858 271 N CB -0.488 38.013 38.487 0.022 0.000 0.989 271 N HN 0.810 nan 8.380 nan 0.000 0.426 272 E N 1.371 121.594 120.200 0.038 0.000 2.077 272 E HA -0.055 4.294 4.350 -0.001 0.000 0.193 272 E C 1.807 178.422 176.600 0.024 0.000 0.989 272 E CA 1.420 57.843 56.400 0.037 0.000 0.800 272 E CB -0.301 29.426 29.700 0.045 0.000 0.746 272 E HN 0.294 nan 8.360 nan 0.000 0.452 273 A N -0.202 122.641 122.820 0.039 0.000 1.933 273 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 273 A C 2.444 180.089 177.584 0.102 0.000 1.175 273 A CA 1.834 53.909 52.037 0.063 0.000 0.628 273 A CB -0.901 18.139 19.000 0.066 0.000 0.814 273 A HN 0.317 nan 8.150 nan 0.000 0.444 274 S N -0.769 114.997 115.700 0.110 0.000 2.371 274 S HA -0.143 4.327 4.470 -0.001 0.000 0.224 274 S C 2.106 176.792 174.600 0.142 0.000 1.029 274 S CA 1.690 60.013 58.200 0.205 0.000 0.978 274 S CB -0.264 63.052 63.200 0.193 0.000 0.833 274 S HN 0.649 nan 8.310 nan 0.000 0.466 275 K N 0.725 121.151 120.400 0.042 0.000 2.057 275 K HA -0.016 4.303 4.320 -0.001 0.000 0.206 275 K C 2.137 178.703 176.600 -0.056 0.000 1.050 275 K CA 1.195 57.480 56.287 -0.003 0.000 0.935 275 K CB -0.477 32.028 32.500 0.008 0.000 0.715 275 K HN 0.331 nan 8.250 nan 0.000 0.439 276 A N 1.740 124.478 122.820 -0.137 0.000 1.908 276 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 276 A C 2.147 179.512 177.584 -0.364 0.000 1.181 276 A CA 1.401 53.172 52.037 -0.443 0.000 0.627 276 A CB -0.682 17.909 19.000 -0.682 0.000 0.818 276 A HN 0.447 nan 8.150 nan 0.000 0.445 277 L N -0.624 120.387 121.223 -0.354 0.000 2.093 277 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 277 L C 2.581 179.274 176.870 -0.295 0.000 1.085 277 L CA 1.990 56.407 54.840 -0.706 0.000 0.755 277 L CB -0.481 41.206 42.059 -0.620 0.000 0.904 277 L HN 0.427 nan 8.230 nan 0.000 0.435 278 T N -0.996 113.537 114.554 -0.035 0.000 2.746 278 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 278 T C 2.004 176.659 174.700 -0.074 0.000 1.039 278 T CA 1.558 63.626 62.100 -0.053 0.000 1.142 278 T CB -0.099 68.740 68.868 -0.048 0.000 0.866 278 T HN 0.346 nan 8.240 nan 0.000 0.444 279 S N 1.470 117.145 115.700 -0.042 0.000 2.382 279 S HA -0.017 4.452 4.470 -0.001 0.000 0.228 279 S C 2.585 177.229 174.600 0.073 0.000 1.027 279 S CA 0.912 59.100 58.200 -0.021 0.000 0.991 279 S CB -0.518 62.657 63.200 -0.042 0.000 0.823 279 S HN 0.601 nan 8.310 nan 0.000 0.469 280 A N 2.203 125.033 122.820 0.017 0.000 1.933 280 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 280 A C 2.175 179.721 177.584 -0.063 0.000 1.175 280 A CA 0.971 53.017 52.037 0.015 0.000 0.628 280 A CB -0.353 18.571 19.000 -0.126 0.000 0.814 280 A HN 0.323 nan 8.150 nan 0.000 0.444 281 R N -1.383 119.012 120.500 -0.176 0.000 2.066 281 R HA -0.092 4.247 4.340 -0.001 0.000 0.232 281 R C 1.880 178.063 176.300 -0.195 0.000 1.131 281 R CA 1.438 57.387 56.100 -0.251 0.000 0.955 281 R CB -0.888 29.182 30.300 -0.383 0.000 0.851 281 R HN 0.538 nan 8.270 nan 0.000 0.432 282 F N 1.067 120.960 119.950 -0.095 0.000 2.102 282 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 282 F C 2.649 178.431 175.800 -0.030 0.000 1.105 282 F CA 0.929 58.881 58.000 -0.081 0.000 1.239 282 F CB -1.049 37.871 39.000 -0.133 0.000 0.991 282 F HN -0.262 nan 8.300 nan 0.000 0.474 283 V N -0.149 119.880 119.914 0.191 0.000 2.282 283 V HA -0.314 3.806 4.120 -0.001 0.000 0.249 283 V C 2.376 178.529 176.094 0.100 0.000 1.057 283 V CA 1.663 64.057 62.300 0.157 0.000 1.032 283 V CB -0.785 31.138 31.823 0.168 0.000 0.645 283 V HN 0.206 nan 8.190 nan 0.000 0.447 284 L N 0.744 121.998 121.223 0.052 0.000 2.141 284 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 284 L C 2.690 179.598 176.870 0.063 0.000 1.094 284 L CA 2.176 57.030 54.840 0.023 0.000 0.763 284 L CB -1.023 41.015 42.059 -0.035 0.000 0.908 284 L HN 0.556 nan 8.230 nan 0.000 0.437 285 S N -1.853 113.874 115.700 0.045 0.000 2.447 285 S HA -0.163 4.307 4.470 -0.001 0.000 0.233 285 S C 1.685 176.401 174.600 0.192 0.000 1.006 285 S CA 1.198 59.466 58.200 0.113 0.000 0.957 285 S CB -0.293 62.944 63.200 0.063 0.000 0.773 285 S HN 0.457 nan 8.310 nan 0.000 0.507 286 D N 0.958 121.447 120.400 0.148 0.000 2.201 286 D HA 0.049 4.688 4.640 -0.001 0.000 0.209 286 D C 1.857 178.222 176.300 0.109 0.000 0.961 286 D CA 0.787 54.861 54.000 0.123 0.000 0.861 286 D CB 0.138 41.001 40.800 0.105 0.000 0.997 286 D HN 0.336 nan 8.370 nan 0.000 0.486 287 K N 0.773 121.232 120.400 0.099 0.000 2.098 287 K HA 0.079 4.399 4.320 -0.001 0.000 0.203 287 K C 2.408 179.093 176.600 0.141 0.000 1.051 287 K CA 0.185 56.521 56.287 0.082 0.000 0.957 287 K CB -0.466 32.044 32.500 0.017 0.000 0.738 287 K HN 0.196 nan 8.250 nan 0.000 0.447 288 L N 1.099 122.415 121.223 0.156 0.000 2.141 288 L HA -0.074 4.265 4.340 -0.001 0.000 0.209 288 L C -0.741 176.274 176.870 0.242 0.000 1.094 288 L CA 0.690 55.664 54.840 0.223 0.000 0.763 288 L CB -1.673 40.577 42.059 0.318 0.000 0.908 288 L HN 0.038 nan 8.230 nan 0.000 0.437 289 P HA -0.278 nan 4.420 nan 0.000 0.221 289 P C 1.341 178.634 177.300 -0.013 0.000 1.160 289 P CA 1.628 64.699 63.100 -0.049 0.000 0.933 289 P CB 0.099 31.822 31.700 0.037 0.000 0.793 290 E N -2.488 117.755 120.200 0.072 0.000 2.338 290 E HA -0.159 4.191 4.350 -0.001 0.000 0.197 290 E C 1.674 178.310 176.600 0.060 0.000 1.007 290 E CA 1.000 57.436 56.400 0.060 0.000 0.849 290 E CB -0.672 29.035 29.700 0.011 0.000 0.774 290 E HN 0.414 nan 8.360 nan 0.000 0.506 291 H N -1.770 117.348 119.070 0.080 0.000 2.428 291 H HA 0.016 4.571 4.556 -0.001 0.000 0.296 291 H C 1.769 177.185 175.328 0.146 0.000 1.062 291 H CA 1.244 57.390 56.048 0.162 0.000 1.350 291 H CB 0.316 30.173 29.762 0.158 0.000 1.403 291 H HN 0.020 nan 8.280 nan 0.000 0.533 292 V N 0.051 120.065 119.914 0.167 0.000 2.407 292 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 292 V C 2.521 178.636 176.094 0.035 0.000 1.041 292 V CA 1.969 64.309 62.300 0.067 0.000 1.040 292 V CB -0.722 31.023 31.823 -0.130 0.000 0.671 292 V HN 0.653 nan 8.190 nan 0.000 0.455 293 T N -2.812 111.746 114.554 0.006 0.000 2.962 293 T HA -0.056 4.293 4.350 -0.001 0.000 0.270 293 T C 1.046 175.759 174.700 0.022 0.000 1.088 293 T CA 0.463 62.556 62.100 -0.013 0.000 1.127 293 T CB -0.301 68.550 68.868 -0.028 0.000 0.883 293 T HN 0.145 nan 8.240 nan 0.000 0.493 294 M N 2.955 122.618 119.600 0.105 0.000 2.284 294 M HA 0.208 4.687 4.480 -0.001 0.000 0.351 294 M C -2.417 173.978 176.300 0.158 0.000 1.443 294 M CA -2.137 53.271 55.300 0.180 0.000 1.031 294 M CB 0.357 33.147 32.600 0.315 0.000 1.893 294 M HN 0.002 nan 8.290 nan 0.000 0.456 295 P HA -0.022 nan 4.420 nan 0.000 0.261 295 P C -0.986 176.403 177.300 0.147 0.000 1.183 295 P CA 0.221 63.381 63.100 0.101 0.000 0.761 295 P CB 0.272 32.016 31.700 0.073 0.000 0.785 296 D N 2.306 122.775 120.400 0.115 0.000 2.372 296 D HA 0.405 5.044 4.640 -0.001 0.000 0.243 296 D C 0.889 177.259 176.300 0.117 0.000 1.121 296 D CA 0.397 54.468 54.000 0.118 0.000 0.898 296 D CB 1.082 41.929 40.800 0.078 0.000 1.202 296 D HN 0.424 nan 8.370 nan 0.000 0.428 297 G N 0.049 108.929 108.800 0.134 0.000 2.554 297 G HA2 0.149 4.108 3.960 -0.001 0.000 0.306 297 G HA3 0.149 4.108 3.960 -0.001 0.000 0.306 297 G C -0.304 174.679 174.900 0.138 0.000 1.320 297 G CA -0.398 44.787 45.100 0.142 0.000 0.800 297 G HN 0.321 nan 8.290 nan 0.000 0.481 298 D N -1.208 119.286 120.400 0.155 0.000 2.392 298 D HA 0.177 4.816 4.640 -0.001 0.000 0.206 298 D C 0.611 177.013 176.300 0.170 0.000 1.046 298 D CA -0.537 53.535 54.000 0.120 0.000 0.865 298 D CB 0.086 40.938 40.800 0.086 0.000 0.969 298 D HN 0.137 nan 8.370 nan 0.000 0.509 299 F N 1.644 121.680 119.950 0.144 0.000 2.623 299 F HA 0.084 4.610 4.527 -0.001 0.000 0.383 299 F C 0.276 176.246 175.800 0.283 0.000 1.077 299 F CA 0.409 58.519 58.000 0.183 0.000 1.268 299 F CB 0.538 39.628 39.000 0.151 0.000 1.053 299 F HN -0.251 nan 8.300 nan 0.000 0.571 300 S N 6.889 122.179 115.700 -0.683 0.000 2.647 300 S HA 0.410 4.879 4.470 -0.001 0.000 0.300 300 S C 0.863 175.141 174.600 -0.537 0.000 1.129 300 S CA -0.894 57.120 58.200 -0.310 0.000 1.029 300 S CB 0.653 63.767 63.200 -0.144 0.000 1.007 300 S HN 0.700 nan 8.310 nan 0.000 0.484 301 I N 4.504 125.018 120.570 -0.093 0.000 2.286 301 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 301 I C 2.649 178.891 176.117 0.209 0.000 1.115 301 I CA 1.062 62.431 61.300 0.116 0.000 1.392 301 I CB -0.206 37.913 38.000 0.198 0.000 1.065 301 I HN 0.664 nan 8.210 nan 0.000 0.418 302 R N 0.472 121.051 120.500 0.131 0.000 2.082 302 R HA -0.154 4.185 4.340 -0.001 0.000 0.234 302 R C 2.516 178.867 176.300 0.085 0.000 1.136 302 R CA 1.983 58.158 56.100 0.125 0.000 0.935 302 R CB -0.699 29.641 30.300 0.066 0.000 0.842 302 R HN 0.251 nan 8.270 nan 0.000 0.430 303 S N 0.273 115.978 115.700 0.008 0.000 2.370 303 S HA -0.204 4.266 4.470 -0.001 0.000 0.226 303 S C 1.401 176.015 174.600 0.023 0.000 1.033 303 S CA 1.366 59.558 58.200 -0.015 0.000 1.011 303 S CB -0.388 62.772 63.200 -0.067 0.000 0.852 303 S HN 0.484 nan 8.310 nan 0.000 0.457 304 W N 2.331 123.523 121.300 -0.180 0.000 2.338 304 W HA -0.101 4.558 4.660 -0.001 0.000 0.304 304 W C 1.586 178.118 176.519 0.021 0.000 1.212 304 W CA 1.123 58.428 57.345 -0.067 0.000 1.264 304 W CB -0.461 28.995 29.460 -0.008 0.000 1.142 304 W HN 0.194 nan 8.180 nan 0.000 0.512 305 L N 0.407 121.728 121.223 0.162 0.000 2.191 305 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 305 L C 2.148 178.940 176.870 -0.129 0.000 1.103 305 L CA 1.584 56.405 54.840 -0.031 0.000 0.769 305 L CB -0.650 41.513 42.059 0.173 0.000 0.908 305 L HN 0.093 nan 8.230 nan 0.000 0.438 306 E N -1.046 119.110 120.200 -0.073 0.000 2.318 306 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 306 E C 0.310 176.849 176.600 -0.101 0.000 0.998 306 E CA -0.073 56.286 56.400 -0.068 0.000 0.859 306 E CB 0.180 29.866 29.700 -0.024 0.000 0.812 306 E HN 0.215 nan 8.360 nan 0.000 0.492 307 D N 1.174 121.487 120.400 -0.145 0.000 2.352 307 D HA 0.036 4.675 4.640 -0.001 0.000 0.245 307 D C -1.841 174.346 176.300 -0.189 0.000 1.224 307 D CA -2.363 51.556 54.000 -0.135 0.000 0.879 307 D CB 1.288 42.025 40.800 -0.105 0.000 1.057 307 D HN -0.182 nan 8.370 nan 0.000 0.491 308 P HA -0.079 nan 4.420 nan 0.000 0.218 308 P C 0.342 177.582 177.300 -0.100 0.000 1.148 308 P CA 0.867 63.901 63.100 -0.110 0.000 0.822 308 P CB 0.286 31.948 31.700 -0.063 0.000 0.784 309 N N -1.274 117.382 118.700 -0.073 0.000 2.380 309 N HA 0.106 4.845 4.740 -0.001 0.000 0.255 309 N C 1.356 176.855 175.510 -0.018 0.000 1.158 309 N CA 0.181 53.211 53.050 -0.033 0.000 0.878 309 N CB 0.196 38.682 38.487 -0.002 0.000 1.138 309 N HN 0.104 nan 8.380 nan 0.000 0.509 310 G N 0.045 108.781 108.800 -0.106 0.000 2.572 310 G HA2 0.212 4.171 3.960 -0.001 0.000 0.216 310 G HA3 0.212 4.171 3.960 -0.001 0.000 0.216 310 G C 0.965 175.954 174.900 0.148 0.000 1.133 310 G CA 0.585 45.651 45.100 -0.056 0.000 0.791 310 G HN 0.491 nan 8.290 nan 0.000 0.538 311 G N 0.046 108.892 108.800 0.078 0.000 2.542 311 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.235 311 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.235 311 G C -0.512 174.624 174.900 0.394 0.000 1.286 311 G CA -0.160 45.078 45.100 0.229 0.000 0.904 311 G HN 0.524 nan 8.290 nan 0.000 0.577 312 N N -0.282 118.735 118.700 0.528 0.000 2.404 312 N HA 0.638 5.378 4.740 -0.001 0.000 0.297 312 N C -0.687 175.175 175.510 0.587 0.000 1.163 312 N CA -0.579 52.839 53.050 0.614 0.000 0.864 312 N CB 2.122 40.829 38.487 0.367 0.000 1.247 312 N HN 0.622 nan 8.380 nan 0.000 0.510 313 L N 1.542 122.906 121.223 0.234 0.000 2.322 313 L HA 0.515 4.854 4.340 -0.001 0.000 0.281 313 L C -1.382 175.364 176.870 -0.207 0.000 1.014 313 L CA -0.648 54.059 54.840 -0.222 0.000 0.815 313 L CB 0.505 41.997 42.059 -0.944 0.000 1.247 313 L HN 0.371 nan 8.230 nan 0.000 0.421 314 F N 5.332 125.167 119.950 -0.192 0.000 2.427 314 F HA 0.440 4.966 4.527 -0.001 0.000 0.348 314 F C 0.164 175.882 175.800 -0.137 0.000 1.125 314 F CA -0.557 57.382 58.000 -0.101 0.000 0.989 314 F CB 1.441 40.407 39.000 -0.057 0.000 1.165 314 F HN 0.206 nan 8.300 nan 0.000 0.442 315 I N 3.880 124.501 120.570 0.086 0.000 2.287 315 I HA 0.248 4.418 4.170 -0.001 0.000 0.290 315 I C 0.320 176.663 176.117 0.377 0.000 1.069 315 I CA -0.210 61.177 61.300 0.145 0.000 1.237 315 I CB 0.585 38.718 38.000 0.221 0.000 1.418 315 I HN 0.647 nan 8.210 nan 0.000 0.481 316 T N 2.175 116.936 114.554 0.345 0.000 2.938 316 T HA 0.801 5.150 4.350 -0.001 0.000 0.285 316 T C -0.967 174.048 174.700 0.526 0.000 1.028 316 T CA -0.639 61.639 62.100 0.298 0.000 1.005 316 T CB 2.094 71.051 68.868 0.149 0.000 1.157 316 T HN 0.679 nan 8.240 nan 0.000 0.550 317 W N -1.027 120.308 121.300 0.057 0.000 3.235 317 W HA 0.535 5.194 4.660 -0.001 0.000 0.318 317 W C -1.767 174.661 176.519 -0.152 0.000 1.124 317 W CA -1.191 56.141 57.345 -0.021 0.000 1.110 317 W CB 0.592 30.052 29.460 -0.000 0.000 1.415 317 W HN 0.806 nan 8.180 nan 0.000 0.563 318 R N 2.014 122.403 120.500 -0.184 0.000 2.441 318 R HA 0.159 4.499 4.340 -0.001 0.000 0.284 318 R C 0.751 176.994 176.300 -0.095 0.000 1.070 318 R CA -0.370 55.530 56.100 -0.333 0.000 1.047 318 R CB 1.278 31.308 30.300 -0.450 0.000 1.016 318 R HN 0.739 nan 8.270 nan 0.000 0.477 319 E N 1.294 121.399 120.200 -0.158 0.000 2.265 319 E HA -0.182 4.167 4.350 -0.001 0.000 0.196 319 E C 0.698 177.319 176.600 0.036 0.000 0.996 319 E CA 1.264 57.661 56.400 -0.005 0.000 0.832 319 E CB 0.134 29.797 29.700 -0.061 0.000 0.756 319 E HN 0.591 nan 8.360 nan 0.000 0.491 320 D N -0.445 119.937 120.400 -0.030 0.000 2.363 320 D HA -0.124 4.516 4.640 -0.001 0.000 0.226 320 D C 1.213 177.497 176.300 -0.028 0.000 1.020 320 D CA 0.578 54.561 54.000 -0.028 0.000 0.892 320 D CB -0.031 40.739 40.800 -0.049 0.000 0.900 320 D HN 0.224 nan 8.370 nan 0.000 0.531 321 M N -0.285 119.309 119.600 -0.011 0.000 2.412 321 M HA 0.315 4.795 4.480 -0.001 0.000 0.315 321 M C 1.719 178.012 176.300 -0.012 0.000 1.092 321 M CA -0.128 55.139 55.300 -0.056 0.000 0.974 321 M CB 1.478 33.969 32.600 -0.182 0.000 1.437 321 M HN 0.047 nan 8.290 nan 0.000 0.524 322 G N 3.009 111.859 108.800 0.083 0.000 2.545 322 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.217 322 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.217 322 G C -0.606 174.229 174.900 -0.107 0.000 1.218 322 G CA 0.916 46.030 45.100 0.023 0.000 0.787 322 G HN 0.304 nan 8.290 nan 0.000 0.571 323 P HA -0.112 nan 4.420 nan 0.000 0.216 323 P C 1.972 179.224 177.300 -0.080 0.000 1.150 323 P CA 2.154 65.216 63.100 -0.062 0.000 0.843 323 P CB -0.221 31.462 31.700 -0.029 0.000 0.787 324 A N -0.162 122.611 122.820 -0.079 0.000 1.930 324 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 324 A C 2.332 179.851 177.584 -0.109 0.000 1.175 324 A CA 1.144 53.139 52.037 -0.070 0.000 0.627 324 A CB -1.383 17.583 19.000 -0.057 0.000 0.815 324 A HN 0.159 nan 8.150 nan 0.000 0.443 325 L N -1.397 119.714 121.223 -0.186 0.000 2.558 325 L HA 0.075 4.414 4.340 -0.001 0.000 0.225 325 L C 2.400 179.059 176.870 -0.351 0.000 1.128 325 L CA 0.284 54.963 54.840 -0.269 0.000 0.868 325 L CB -0.279 41.586 42.059 -0.323 0.000 1.006 325 L HN 0.434 nan 8.230 nan 0.000 0.454 326 R N 1.251 121.573 120.500 -0.298 0.000 2.113 326 R HA -0.192 4.147 4.340 -0.001 0.000 0.244 326 R C -0.461 175.704 176.300 -0.225 0.000 1.142 326 R CA 2.157 58.093 56.100 -0.273 0.000 0.953 326 R CB -0.990 29.207 30.300 -0.172 0.000 0.860 326 R HN 0.249 nan 8.270 nan 0.000 0.438 327 P HA -0.177 nan 4.420 nan 0.000 0.217 327 P C 1.522 178.725 177.300 -0.162 0.000 1.151 327 P CA 1.217 64.253 63.100 -0.107 0.000 0.828 327 P CB -0.089 31.595 31.700 -0.027 0.000 0.788 328 L N -0.540 120.494 121.223 -0.314 0.000 2.044 328 L HA -0.084 4.255 4.340 -0.001 0.000 0.205 328 L C 2.728 179.055 176.870 -0.906 0.000 1.075 328 L CA 1.350 55.780 54.840 -0.685 0.000 0.747 328 L CB -0.589 40.961 42.059 -0.848 0.000 0.903 328 L HN -0.172 nan 8.230 nan 0.000 0.435 329 I N -0.778 119.400 120.570 -0.653 0.000 2.264 329 I HA -0.304 3.865 4.170 -0.001 0.000 0.248 329 I C 2.475 178.470 176.117 -0.203 0.000 1.111 329 I CA 1.242 62.305 61.300 -0.395 0.000 1.382 329 I CB -0.274 37.438 38.000 -0.479 0.000 1.060 329 I HN 0.204 nan 8.210 nan 0.000 0.418 330 S N 0.707 116.283 115.700 -0.206 0.000 2.423 330 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 330 S C 2.220 176.800 174.600 -0.034 0.000 1.014 330 S CA 1.133 59.282 58.200 -0.084 0.000 0.965 330 S CB -0.243 62.908 63.200 -0.083 0.000 0.785 330 S HN 0.546 nan 8.310 nan 0.000 0.495 331 A N 1.324 124.084 122.820 -0.101 0.000 1.873 331 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 331 A C 1.867 179.511 177.584 0.100 0.000 1.186 331 A CA 1.038 53.081 52.037 0.010 0.000 0.616 331 A CB -0.799 18.228 19.000 0.045 0.000 0.823 331 A HN 0.604 nan 8.150 nan 0.000 0.442 332 W N 0.160 121.432 121.300 -0.047 0.000 2.355 332 W HA -0.096 4.563 4.660 -0.001 0.000 0.309 332 W C 2.286 178.790 176.519 -0.025 0.000 1.206 332 W CA 1.171 58.435 57.345 -0.134 0.000 1.284 332 W CB -1.380 27.923 29.460 -0.262 0.000 1.145 332 W HN 0.183 nan 8.180 nan 0.000 0.502 333 V N 0.282 120.333 119.914 0.228 0.000 2.490 333 V HA -0.288 3.831 4.120 -0.001 0.000 0.250 333 V C 1.712 177.896 176.094 0.150 0.000 1.061 333 V CA 2.398 64.798 62.300 0.167 0.000 1.064 333 V CB -1.025 30.877 31.823 0.132 0.000 0.670 333 V HN 0.045 nan 8.190 nan 0.000 0.461 334 D N -0.466 120.021 120.400 0.144 0.000 2.194 334 D HA -0.103 4.536 4.640 -0.001 0.000 0.204 334 D C 2.043 178.445 176.300 0.170 0.000 0.964 334 D CA 0.745 54.822 54.000 0.129 0.000 0.846 334 D CB 0.130 40.990 40.800 0.101 0.000 0.962 334 D HN 0.175 nan 8.370 nan 0.000 0.490 335 V N -0.066 120.005 119.914 0.261 0.000 2.407 335 V HA -0.217 3.903 4.120 -0.001 0.000 0.248 335 V C 2.405 178.686 176.094 0.312 0.000 1.055 335 V CA 1.151 63.683 62.300 0.387 0.000 1.049 335 V CB -0.242 31.881 31.823 0.500 0.000 0.662 335 V HN 0.184 nan 8.190 nan 0.000 0.455 336 V N -1.140 118.919 119.914 0.240 0.000 2.343 336 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 336 V C 2.511 178.705 176.094 0.168 0.000 1.051 336 V CA 2.200 64.627 62.300 0.212 0.000 1.036 336 V CB -0.796 31.136 31.823 0.183 0.000 0.654 336 V HN 0.646 nan 8.190 nan 0.000 0.451 337 C N 0.691 120.070 119.300 0.131 0.000 2.413 337 C HA -0.151 4.308 4.460 -0.001 0.000 0.277 337 C C 3.035 178.065 174.990 0.066 0.000 1.265 337 C CA 1.788 60.853 59.018 0.079 0.000 1.752 337 C CB -1.324 26.451 27.740 0.059 0.000 1.998 337 C HN 0.791 nan 8.230 nan 0.000 0.489 338 T N -1.691 112.907 114.554 0.074 0.000 2.894 338 T HA -0.058 4.291 4.350 -0.001 0.000 0.258 338 T C 1.826 176.588 174.700 0.102 0.000 1.043 338 T CA 1.485 63.608 62.100 0.037 0.000 1.141 338 T CB -0.531 68.291 68.868 -0.076 0.000 0.873 338 T HN 0.414 nan 8.240 nan 0.000 0.449 339 S N 2.456 118.272 115.700 0.193 0.000 2.374 339 S HA -0.076 4.393 4.470 -0.001 0.000 0.227 339 S C 2.112 176.812 174.600 0.165 0.000 1.037 339 S CA 1.405 59.750 58.200 0.241 0.000 1.024 339 S CB -0.613 62.770 63.200 0.303 0.000 0.861 339 S HN 0.700 nan 8.310 nan 0.000 0.456 340 I N 0.064 120.716 120.570 0.136 0.000 2.850 340 I HA -0.013 4.156 4.170 -0.001 0.000 0.266 340 I C 1.327 177.483 176.117 0.066 0.000 1.257 340 I CA 1.263 62.620 61.300 0.096 0.000 1.465 340 I CB -1.150 36.899 38.000 0.082 0.000 1.091 340 I HN 0.158 nan 8.210 nan 0.000 0.467 341 L N 0.787 122.050 121.223 0.066 0.000 2.554 341 L HA 0.095 4.434 4.340 -0.001 0.000 0.226 341 L C 2.204 179.104 176.870 0.051 0.000 1.137 341 L CA 0.998 55.863 54.840 0.041 0.000 0.863 341 L CB -0.502 41.572 42.059 0.024 0.000 0.985 341 L HN 0.175 nan 8.230 nan 0.000 0.451 342 S N -1.427 114.323 115.700 0.084 0.000 2.512 342 S HA 0.295 4.765 4.470 -0.001 0.000 0.216 342 S C 0.722 175.367 174.600 0.075 0.000 1.006 342 S CA -0.410 57.848 58.200 0.097 0.000 0.915 342 S CB 0.198 63.491 63.200 0.156 0.000 0.824 342 S HN 0.110 nan 8.310 nan 0.000 0.497 343 L N 4.149 125.410 121.223 0.063 0.000 2.490 343 L HA 0.173 4.513 4.340 -0.001 0.000 0.274 343 L C -1.906 174.980 176.870 0.026 0.000 1.201 343 L CA -1.343 53.522 54.840 0.042 0.000 0.869 343 L CB -0.174 41.905 42.059 0.033 0.000 1.123 343 L HN 0.073 nan 8.230 nan 0.000 0.484 344 P HA -0.017 nan 4.420 nan 0.000 0.267 344 P C -0.414 176.887 177.300 0.002 0.000 1.205 344 P CA -0.275 62.832 63.100 0.011 0.000 0.765 344 P CB 0.602 32.307 31.700 0.009 0.000 0.828 345 E N 2.765 122.965 120.200 -0.001 0.000 2.729 345 E HA -0.087 4.263 4.350 -0.001 0.000 0.246 345 E C -0.368 176.226 176.600 -0.011 0.000 0.984 345 E CA 0.579 56.974 56.400 -0.008 0.000 0.951 345 E CB 0.160 29.855 29.700 -0.009 0.000 0.914 345 E HN 0.289 nan 8.360 nan 0.000 0.509 346 E N 5.336 125.527 120.200 -0.016 0.000 2.580 346 E HA 0.162 4.512 4.350 -0.001 0.000 0.248 346 E C -2.087 174.499 176.600 -0.023 0.000 1.018 346 E CA -1.904 54.485 56.400 -0.019 0.000 0.775 346 E CB 1.418 31.105 29.700 -0.020 0.000 1.378 346 E HN 0.408 nan 8.360 nan 0.000 0.401 347 P HA -0.207 nan 4.420 nan 0.000 0.220 347 P C 1.291 178.575 177.300 -0.026 0.000 1.144 347 P CA 1.256 64.340 63.100 -0.026 0.000 0.800 347 P CB 0.394 32.081 31.700 -0.023 0.000 0.772 348 K N -0.254 120.133 120.400 -0.022 0.000 2.305 348 K HA -0.048 4.271 4.320 -0.001 0.000 0.199 348 K C 1.067 177.656 176.600 -0.018 0.000 1.047 348 K CA 0.012 56.288 56.287 -0.018 0.000 0.976 348 K CB -0.007 32.484 32.500 -0.014 0.000 0.765 348 K HN -0.026 nan 8.250 nan 0.000 0.474 349 R N 1.386 121.870 120.500 -0.026 0.000 2.543 349 R HA 0.102 4.442 4.340 -0.001 0.000 0.277 349 R C -0.940 175.339 176.300 -0.036 0.000 1.074 349 R CA 0.015 56.098 56.100 -0.029 0.000 1.076 349 R CB 0.547 30.826 30.300 -0.035 0.000 0.993 349 R HN 0.113 nan 8.270 nan 0.000 0.459 350 R N 4.494 124.980 120.500 -0.023 0.000 2.569 350 R HA 0.318 4.658 4.340 -0.001 0.000 0.293 350 R C -1.458 174.840 176.300 -0.003 0.000 1.186 350 R CA -0.735 55.338 56.100 -0.045 0.000 0.956 350 R CB 1.518 31.822 30.300 0.007 0.000 1.196 350 R HN 0.337 nan 8.270 nan 0.000 0.444 351 L N 3.640 124.826 121.223 -0.061 0.000 2.341 351 L HA 0.544 4.883 4.340 -0.001 0.000 0.278 351 L C -1.301 175.563 176.870 -0.011 0.000 1.005 351 L CA -0.566 54.305 54.840 0.052 0.000 0.818 351 L CB 1.272 43.370 42.059 0.066 0.000 1.259 351 L HN 0.645 nan 8.230 nan 0.000 0.418 352 W N 5.355 126.747 121.300 0.154 0.000 2.417 352 W HA 0.498 5.158 4.660 -0.001 0.000 0.317 352 W C -0.180 176.463 176.519 0.206 0.000 1.121 352 W CA -0.357 57.096 57.345 0.181 0.000 1.208 352 W CB 1.298 30.968 29.460 0.350 0.000 1.253 352 W HN 0.254 nan 8.180 nan 0.000 0.533 353 L N 4.380 125.783 121.223 0.301 0.000 2.324 353 L HA 0.416 4.755 4.340 -0.001 0.000 0.274 353 L C -1.356 175.631 176.870 0.196 0.000 1.012 353 L CA -0.817 54.164 54.840 0.236 0.000 0.859 353 L CB 0.205 42.331 42.059 0.112 0.000 1.224 353 L HN 0.316 nan 8.230 nan 0.000 0.429 354 F N 5.536 125.597 119.950 0.185 0.000 2.406 354 F HA 0.327 4.853 4.527 -0.001 0.000 0.358 354 F C 0.565 176.447 175.800 0.137 0.000 1.161 354 F CA -0.195 57.900 58.000 0.158 0.000 1.185 354 F CB 0.549 39.599 39.000 0.082 0.000 1.421 354 F HN 0.293 nan 8.300 nan 0.000 0.576 355 I N 3.643 124.339 120.570 0.210 0.000 2.294 355 I HA 0.026 4.196 4.170 -0.001 0.000 0.295 355 I C 1.149 177.378 176.117 0.186 0.000 1.098 355 I CA -0.173 61.243 61.300 0.193 0.000 1.277 355 I CB 0.508 38.598 38.000 0.150 0.000 1.434 355 I HN 0.508 nan 8.210 nan 0.000 0.498 356 D N 4.983 125.519 120.400 0.226 0.000 2.435 356 D HA -0.281 4.359 4.640 -0.001 0.000 0.206 356 D C 0.731 177.116 176.300 0.141 0.000 1.055 356 D CA 1.854 55.971 54.000 0.194 0.000 0.908 356 D CB 0.326 41.258 40.800 0.220 0.000 1.151 356 D HN 0.491 nan 8.370 nan 0.000 0.479 357 E N -0.849 119.441 120.200 0.150 0.000 2.149 357 E HA 0.207 4.557 4.350 -0.001 0.000 0.255 357 E C 0.357 177.013 176.600 0.094 0.000 0.888 357 E CA -0.386 56.075 56.400 0.101 0.000 0.742 357 E CB 0.923 30.688 29.700 0.108 0.000 1.164 357 E HN 0.257 nan 8.360 nan 0.000 0.422 358 L N 4.354 125.609 121.223 0.054 0.000 2.043 358 L HA -0.090 4.250 4.340 -0.001 0.000 0.212 358 L C 1.677 178.610 176.870 0.105 0.000 1.075 358 L CA 2.664 57.541 54.840 0.061 0.000 0.752 358 L CB -0.517 41.527 42.059 -0.026 0.000 0.891 358 L HN 0.637 nan 8.230 nan 0.000 0.432 359 A N -2.382 120.488 122.820 0.083 0.000 2.235 359 A HA 0.027 4.347 4.320 -0.001 0.000 0.208 359 A C 2.182 179.812 177.584 0.077 0.000 1.172 359 A CA 1.092 53.193 52.037 0.106 0.000 0.786 359 A CB -0.481 18.563 19.000 0.073 0.000 0.804 359 A HN 0.471 nan 8.150 nan 0.000 0.479 360 S N -0.551 115.192 115.700 0.072 0.000 2.548 360 S HA 0.311 4.780 4.470 -0.001 0.000 0.215 360 S C 0.550 175.156 174.600 0.009 0.000 0.976 360 S CA -0.128 58.102 58.200 0.050 0.000 0.908 360 S CB -0.191 63.063 63.200 0.090 0.000 0.781 360 S HN 0.481 nan 8.310 nan 0.000 0.519 361 L N 1.321 122.560 121.223 0.027 0.000 2.387 361 L HA 0.391 4.730 4.340 -0.001 0.000 0.266 361 L C 0.843 177.697 176.870 -0.026 0.000 1.059 361 L CA -0.794 54.038 54.840 -0.012 0.000 0.801 361 L CB 0.580 42.660 42.059 0.036 0.000 1.223 361 L HN 0.094 nan 8.230 nan 0.000 0.456 362 E N 0.500 120.662 120.200 -0.065 0.000 2.421 362 E HA 0.011 4.360 4.350 -0.001 0.000 0.253 362 E C -0.381 176.117 176.600 -0.170 0.000 1.277 362 E CA -0.371 55.964 56.400 -0.109 0.000 0.968 362 E CB 0.473 30.116 29.700 -0.096 0.000 1.040 362 E HN 0.288 nan 8.360 nan 0.000 0.512 363 K N 1.970 122.183 120.400 -0.312 0.000 2.237 363 K HA 0.089 4.408 4.320 -0.001 0.000 0.283 363 K C -0.356 176.112 176.600 -0.219 0.000 1.080 363 K CA -0.107 55.822 56.287 -0.596 0.000 0.965 363 K CB -0.427 31.716 32.500 -0.596 0.000 1.098 363 K HN 0.288 nan 8.250 nan 0.000 0.434 364 L N 3.657 124.885 121.223 0.008 0.000 2.453 364 L HA 0.025 4.365 4.340 -0.001 0.000 0.272 364 L C 1.415 178.354 176.870 0.113 0.000 1.182 364 L CA -0.300 54.600 54.840 0.100 0.000 0.858 364 L CB 0.979 43.137 42.059 0.164 0.000 1.120 364 L HN 0.746 nan 8.230 nan 0.000 0.474 365 A N 2.022 124.875 122.820 0.055 0.000 2.021 365 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 365 A C 1.921 179.529 177.584 0.040 0.000 1.163 365 A CA 1.054 53.114 52.037 0.039 0.000 0.676 365 A CB -0.036 18.969 19.000 0.009 0.000 0.818 365 A HN 0.762 nan 8.150 nan 0.000 0.453 366 S N -0.698 115.026 115.700 0.040 0.000 2.523 366 S HA 0.221 4.690 4.470 -0.001 0.000 0.217 366 S C 1.517 176.133 174.600 0.026 0.000 0.996 366 S CA -0.183 58.031 58.200 0.023 0.000 0.921 366 S CB -0.037 63.170 63.200 0.011 0.000 0.829 366 S HN 0.462 nan 8.310 nan 0.000 0.495 367 L N 1.931 123.185 121.223 0.053 0.000 2.013 367 L HA -0.239 4.101 4.340 -0.001 0.000 0.212 367 L C 2.695 179.552 176.870 -0.021 0.000 1.073 367 L CA 1.796 56.653 54.840 0.028 0.000 0.753 367 L CB -0.713 41.393 42.059 0.077 0.000 0.890 367 L HN 0.417 nan 8.230 nan 0.000 0.432 368 A N -0.202 122.620 122.820 0.004 0.000 1.873 368 A HA -0.305 4.014 4.320 -0.001 0.000 0.218 368 A C 1.911 179.472 177.584 -0.038 0.000 1.193 368 A CA 2.278 54.302 52.037 -0.021 0.000 0.629 368 A CB -0.828 18.177 19.000 0.008 0.000 0.826 368 A HN 0.541 nan 8.150 nan 0.000 0.447 369 D N -0.196 120.190 120.400 -0.023 0.000 2.117 369 D HA -0.072 4.567 4.640 -0.001 0.000 0.197 369 D C 2.273 178.550 176.300 -0.037 0.000 0.987 369 D CA 1.501 55.485 54.000 -0.027 0.000 0.829 369 D CB -0.424 40.364 40.800 -0.020 0.000 0.961 369 D HN 0.450 nan 8.370 nan 0.000 0.460 370 A N 1.009 123.803 122.820 -0.043 0.000 1.978 370 A HA -0.141 4.179 4.320 -0.001 0.000 0.220 370 A C 2.348 179.870 177.584 -0.105 0.000 1.170 370 A CA 0.956 52.960 52.037 -0.056 0.000 0.636 370 A CB -0.730 18.240 19.000 -0.050 0.000 0.810 370 A HN 0.216 nan 8.150 nan 0.000 0.448 371 L N -1.585 119.532 121.223 -0.177 0.000 2.395 371 L HA -0.022 4.318 4.340 -0.001 0.000 0.218 371 L C 2.201 179.058 176.870 -0.021 0.000 1.130 371 L CA 1.234 55.910 54.840 -0.273 0.000 0.826 371 L CB -0.193 41.609 42.059 -0.429 0.000 0.941 371 L HN 0.298 nan 8.230 nan 0.000 0.451 372 T N -1.231 113.304 114.554 -0.033 0.000 2.990 372 T HA 0.093 4.442 4.350 -0.001 0.000 0.249 372 T C 1.208 175.897 174.700 -0.017 0.000 1.039 372 T CA 0.414 62.502 62.100 -0.020 0.000 1.036 372 T CB 0.390 69.241 68.868 -0.029 0.000 0.994 372 T HN 0.221 nan 8.240 nan 0.000 0.489 373 K N 0.458 120.849 120.400 -0.016 0.000 2.536 373 K HA 0.336 4.656 4.320 -0.001 0.000 0.203 373 K C 1.329 177.921 176.600 -0.013 0.000 1.063 373 K CA -0.160 56.116 56.287 -0.018 0.000 1.063 373 K CB 1.094 33.582 32.500 -0.020 0.000 0.843 373 K HN 0.110 nan 8.250 nan 0.000 0.521 374 G N 1.009 109.807 108.800 -0.003 0.000 3.088 374 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.217 374 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.217 374 G C 1.305 176.189 174.900 -0.026 0.000 1.159 374 G CA -0.183 44.915 45.100 -0.003 0.000 0.760 374 G HN 0.045 nan 8.290 nan 0.000 0.550 375 R N 1.081 121.554 120.500 -0.045 0.000 2.091 375 R HA -0.061 4.278 4.340 -0.001 0.000 0.238 375 R C 2.015 178.277 176.300 -0.063 0.000 1.136 375 R CA 1.055 57.108 56.100 -0.078 0.000 0.959 375 R CB -0.107 30.144 30.300 -0.082 0.000 0.856 375 R HN 0.083 nan 8.270 nan 0.000 0.437 376 K N 0.100 120.474 120.400 -0.043 0.000 2.147 376 K HA -0.047 4.272 4.320 -0.001 0.000 0.205 376 K C 1.767 178.348 176.600 -0.031 0.000 1.049 376 K CA 1.320 57.586 56.287 -0.035 0.000 0.936 376 K CB -0.259 32.227 32.500 -0.024 0.000 0.722 376 K HN 0.236 nan 8.250 nan 0.000 0.446 377 A N 0.103 122.907 122.820 -0.027 0.000 2.251 377 A HA 0.266 4.586 4.320 -0.001 0.000 0.209 377 A C 1.165 178.726 177.584 -0.038 0.000 1.187 377 A CA 0.836 52.861 52.037 -0.020 0.000 0.823 377 A CB -0.251 18.748 19.000 -0.001 0.000 0.846 377 A HN 0.344 nan 8.150 nan 0.000 0.486 378 G N -0.739 108.024 108.800 -0.061 0.000 2.198 378 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.257 378 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.257 378 G C 0.026 174.847 174.900 -0.132 0.000 1.042 378 G CA 0.281 45.323 45.100 -0.098 0.000 0.791 378 G HN 0.553 nan 8.290 nan 0.000 0.502 379 L N -0.234 120.931 121.223 -0.097 0.000 2.349 379 L HA 0.603 4.943 4.340 -0.001 0.000 0.275 379 L C 0.499 177.293 176.870 -0.127 0.000 1.115 379 L CA -0.225 54.566 54.840 -0.081 0.000 0.820 379 L CB 0.621 42.679 42.059 -0.002 0.000 1.135 379 L HN 0.322 nan 8.230 nan 0.000 0.445 380 R N 3.884 124.227 120.500 -0.263 0.000 2.468 380 R HA 0.441 4.780 4.340 -0.001 0.000 0.302 380 R C -1.193 175.014 176.300 -0.156 0.000 1.041 380 R CA -0.593 55.247 56.100 -0.434 0.000 0.899 380 R CB 2.035 31.471 30.300 -1.440 0.000 1.167 380 R HN 0.348 nan 8.270 nan 0.000 0.483 381 V N 3.433 123.455 119.914 0.181 0.000 2.539 381 V HA 0.446 4.566 4.120 -0.001 0.000 0.292 381 V C -0.087 176.101 176.094 0.156 0.000 1.045 381 V CA -0.728 61.568 62.300 -0.007 0.000 0.945 381 V CB 1.959 33.556 31.823 -0.377 0.000 0.993 381 V HN 0.394 nan 8.190 nan 0.000 0.464 382 V N 3.763 123.713 119.914 0.061 0.000 2.447 382 V HA 0.795 4.914 4.120 -0.001 0.000 0.292 382 V C 0.102 176.223 176.094 0.045 0.000 1.021 382 V CA -0.339 61.975 62.300 0.024 0.000 0.850 382 V CB 1.456 33.039 31.823 -0.401 0.000 1.005 382 V HN 1.039 nan 8.190 nan 0.000 0.426 383 A N 3.522 126.396 122.820 0.091 0.000 2.380 383 A HA 0.980 5.299 4.320 -0.001 0.000 0.315 383 A C 0.157 177.686 177.584 -0.092 0.000 1.101 383 A CA -0.228 51.793 52.037 -0.026 0.000 0.771 383 A CB 1.828 20.737 19.000 -0.152 0.000 1.287 383 A HN 1.013 nan 8.150 nan 0.000 0.436 384 G N -0.318 108.459 108.800 -0.038 0.000 2.400 384 G HA2 0.610 4.569 3.960 -0.001 0.000 0.333 384 G HA3 0.610 4.569 3.960 -0.001 0.000 0.333 384 G C -1.347 173.517 174.900 -0.060 0.000 1.143 384 G CA -0.274 44.807 45.100 -0.030 0.000 0.914 384 G HN 0.617 nan 8.290 nan 0.000 0.480 385 L N -0.420 120.767 121.223 -0.060 0.000 2.479 385 L HA 0.505 4.844 4.340 -0.001 0.000 0.255 385 L C 0.479 177.331 176.870 -0.030 0.000 1.026 385 L CA -0.482 54.322 54.840 -0.059 0.000 0.842 385 L CB 2.249 44.241 42.059 -0.112 0.000 1.444 385 L HN 0.763 nan 8.230 nan 0.000 0.409 386 Q N -0.699 119.090 119.800 -0.019 0.000 1.915 386 Q HA 0.400 4.740 4.340 -0.001 0.000 0.153 386 Q C -0.533 175.461 176.000 -0.010 0.000 0.480 386 Q CA -0.441 55.357 55.803 -0.008 0.000 0.723 386 Q CB 0.581 29.322 28.738 0.004 0.000 0.940 386 Q HN 0.603 nan 8.270 nan 0.000 0.357 387 S N 0.851 116.549 115.700 -0.004 0.000 2.554 387 S HA 0.148 4.617 4.470 -0.001 0.000 0.278 387 S C 0.736 175.332 174.600 -0.008 0.000 1.242 387 S CA -0.320 57.878 58.200 -0.005 0.000 1.051 387 S CB 1.491 64.692 63.200 0.001 0.000 0.986 387 S HN 0.295 nan 8.310 nan 0.000 0.502 388 T N 2.592 117.139 114.554 -0.011 0.000 2.720 388 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 388 T C 2.219 176.919 174.700 -0.001 0.000 1.037 388 T CA 1.866 63.959 62.100 -0.012 0.000 1.144 388 T CB -0.490 68.371 68.868 -0.012 0.000 0.864 388 T HN 0.794 nan 8.240 nan 0.000 0.444 389 S N 1.446 117.148 115.700 0.003 0.000 2.419 389 S HA -0.191 4.278 4.470 -0.001 0.000 0.235 389 S C 2.034 176.644 174.600 0.017 0.000 1.019 389 S CA 0.947 59.152 58.200 0.009 0.000 0.982 389 S CB -0.498 62.706 63.200 0.005 0.000 0.789 389 S HN 0.505 nan 8.310 nan 0.000 0.490 390 Q N 0.217 120.028 119.800 0.017 0.000 2.020 390 Q HA -0.027 4.312 4.340 -0.001 0.000 0.202 390 Q C 2.193 178.224 176.000 0.052 0.000 0.982 390 Q CA 1.507 57.326 55.803 0.027 0.000 0.838 390 Q CB -0.252 28.500 28.738 0.023 0.000 0.899 390 Q HN 0.532 nan 8.270 nan 0.000 0.423 391 L N 1.014 122.271 121.223 0.057 0.000 2.141 391 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 391 L C 1.435 178.392 176.870 0.144 0.000 1.094 391 L CA 1.696 56.605 54.840 0.115 0.000 0.763 391 L CB -0.308 41.767 42.059 0.026 0.000 0.908 391 L HN 0.151 nan 8.230 nan 0.000 0.437 392 D N -0.571 119.873 120.400 0.073 0.000 2.144 392 D HA -0.203 4.436 4.640 -0.001 0.000 0.199 392 D C 1.725 178.060 176.300 0.059 0.000 0.984 392 D CA 1.393 55.431 54.000 0.063 0.000 0.834 392 D CB 0.020 40.838 40.800 0.030 0.000 0.955 392 D HN 0.449 nan 8.370 nan 0.000 0.465 393 D N -0.655 119.772 120.400 0.044 0.000 2.183 393 D HA -0.076 4.563 4.640 -0.001 0.000 0.203 393 D C 1.972 178.274 176.300 0.004 0.000 0.969 393 D CA 0.412 54.422 54.000 0.018 0.000 0.842 393 D CB 0.357 41.163 40.800 0.009 0.000 0.957 393 D HN -0.054 nan 8.370 nan 0.000 0.484 394 V N -0.343 119.589 119.914 0.030 0.000 2.302 394 V HA -0.167 3.952 4.120 -0.001 0.000 0.243 394 V C 1.579 177.566 176.094 -0.179 0.000 1.036 394 V CA 1.374 63.637 62.300 -0.062 0.000 1.020 394 V CB -0.560 31.256 31.823 -0.011 0.000 0.657 394 V HN 0.248 nan 8.190 nan 0.000 0.453 395 Y N 0.337 120.628 120.300 -0.016 0.000 2.509 395 Y HA 0.515 5.064 4.550 -0.002 0.000 0.270 395 Y C 1.308 177.196 175.900 -0.020 0.000 1.103 395 Y CA 0.475 58.566 58.100 -0.016 0.000 1.278 395 Y CB 0.086 38.542 38.460 -0.007 0.000 1.087 395 Y HN 0.365 nan 8.280 nan 0.000 0.542 396 G N -0.602 108.268 108.800 0.117 0.000 2.697 396 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 396 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 396 G C 0.370 175.310 174.900 0.066 0.000 1.179 396 G CA -0.517 44.617 45.100 0.058 0.000 0.765 396 G HN -0.060 nan 8.290 nan 0.000 0.649 397 V N 1.859 121.794 119.914 0.036 0.000 2.278 397 V HA -0.242 3.877 4.120 -0.001 0.000 0.251 397 V C 3.027 179.136 176.094 0.024 0.000 1.062 397 V CA 2.773 65.089 62.300 0.026 0.000 1.038 397 V CB -0.465 31.365 31.823 0.013 0.000 0.646 397 V HN 0.755 nan 8.190 nan 0.000 0.447 398 K N 0.005 120.420 120.400 0.024 0.000 2.001 398 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 398 K C 2.081 178.698 176.600 0.028 0.000 1.048 398 K CA 1.615 57.914 56.287 0.020 0.000 0.932 398 K CB -0.538 31.971 32.500 0.015 0.000 0.715 398 K HN 0.612 nan 8.250 nan 0.000 0.437 399 E N 0.640 120.873 120.200 0.054 0.000 2.110 399 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 399 E C 1.995 178.612 176.600 0.028 0.000 0.988 399 E CA 0.944 57.387 56.400 0.072 0.000 0.804 399 E CB -0.114 29.679 29.700 0.154 0.000 0.745 399 E HN 0.278 nan 8.360 nan 0.000 0.458 400 A N 1.514 124.361 122.820 0.045 0.000 1.902 400 A HA -0.281 4.038 4.320 -0.001 0.000 0.217 400 A C 2.161 179.712 177.584 -0.055 0.000 1.181 400 A CA 1.649 53.662 52.037 -0.039 0.000 0.623 400 A CB -0.529 18.487 19.000 0.027 0.000 0.818 400 A HN 0.231 nan 8.150 nan 0.000 0.443 401 Q N -0.833 118.957 119.800 -0.016 0.000 2.084 401 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 401 Q C 2.008 178.003 176.000 -0.008 0.000 0.978 401 Q CA 2.086 57.882 55.803 -0.011 0.000 0.844 401 Q CB -0.284 28.453 28.738 -0.001 0.000 0.898 401 Q HN 0.591 nan 8.270 nan 0.000 0.426 402 T N 1.303 115.852 114.554 -0.009 0.000 2.746 402 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 402 T C 1.700 176.397 174.700 -0.006 0.000 1.039 402 T CA 1.046 63.143 62.100 -0.004 0.000 1.142 402 T CB -0.199 68.668 68.868 -0.002 0.000 0.866 402 T HN 0.155 nan 8.240 nan 0.000 0.444 403 L N 1.085 122.279 121.223 -0.049 0.000 1.976 403 L HA 0.024 4.364 4.340 -0.001 0.000 0.209 403 L C 2.588 179.518 176.870 0.099 0.000 1.071 403 L CA 1.732 56.543 54.840 -0.048 0.000 0.746 403 L CB -0.467 41.423 42.059 -0.281 0.000 0.890 403 L HN 0.067 nan 8.230 nan 0.000 0.432 404 R N -1.000 119.511 120.500 0.019 0.000 2.105 404 R HA -0.155 4.185 4.340 -0.001 0.000 0.239 404 R C 2.048 178.440 176.300 0.154 0.000 1.135 404 R CA 1.235 57.364 56.100 0.047 0.000 0.967 404 R CB -0.548 29.728 30.300 -0.039 0.000 0.861 404 R HN 0.486 nan 8.270 nan 0.000 0.442 405 A N 0.051 122.927 122.820 0.093 0.000 2.172 405 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 405 A C 1.880 179.523 177.584 0.098 0.000 1.154 405 A CA 1.209 53.294 52.037 0.080 0.000 0.701 405 A CB -0.065 18.957 19.000 0.038 0.000 0.789 405 A HN 0.186 nan 8.150 nan 0.000 0.465 406 S N -0.945 114.834 115.700 0.133 0.000 2.527 406 S HA 0.196 4.665 4.470 -0.001 0.000 0.222 406 S C -0.223 174.362 174.600 -0.024 0.000 0.985 406 S CA 0.022 58.238 58.200 0.027 0.000 0.921 406 S CB -0.204 62.952 63.200 -0.072 0.000 0.772 406 S HN 0.458 nan 8.310 nan 0.000 0.529 407 F N 2.337 122.313 119.950 0.043 0.000 2.350 407 F HA 0.421 4.947 4.527 -0.002 0.000 0.365 407 F C 1.335 177.163 175.800 0.047 0.000 1.122 407 F CA -1.020 57.025 58.000 0.075 0.000 1.139 407 F CB 0.689 39.715 39.000 0.045 0.000 1.220 407 F HN -0.174 nan 8.300 nan 0.000 0.499 408 R N 0.513 121.097 120.500 0.140 0.000 2.148 408 R HA 0.038 4.377 4.340 -0.001 0.000 0.223 408 R C 0.232 176.603 176.300 0.118 0.000 1.088 408 R CA 0.416 56.574 56.100 0.096 0.000 0.985 408 R CB -0.158 30.163 30.300 0.035 0.000 0.880 408 R HN 0.365 nan 8.270 nan 0.000 0.451 409 S N 1.032 116.824 115.700 0.155 0.000 2.451 409 S HA 0.451 4.921 4.470 -0.001 0.000 0.301 409 S C -0.636 174.021 174.600 0.094 0.000 1.116 409 S CA -0.685 57.594 58.200 0.133 0.000 1.093 409 S CB 1.707 65.032 63.200 0.209 0.000 1.017 409 S HN 0.061 nan 8.310 nan 0.000 0.482 410 L N 3.959 125.188 121.223 0.009 0.000 2.370 410 L HA 0.817 5.156 4.340 -0.001 0.000 0.266 410 L C -1.497 175.337 176.870 -0.060 0.000 1.002 410 L CA -0.490 54.344 54.840 -0.009 0.000 0.818 410 L CB 1.881 43.940 42.059 -0.001 0.000 1.325 410 L HN 0.431 nan 8.230 nan 0.000 0.418 411 V N 4.976 124.869 119.914 -0.035 0.000 2.482 411 V HA 0.468 4.587 4.120 -0.001 0.000 0.295 411 V C -0.767 175.337 176.094 0.016 0.000 1.026 411 V CA -0.650 61.634 62.300 -0.027 0.000 0.856 411 V CB 1.896 33.700 31.823 -0.031 0.000 1.001 411 V HN 0.526 nan 8.190 nan 0.000 0.424 412 V N 6.582 126.538 119.914 0.071 0.000 2.333 412 V HA 0.283 4.403 4.120 -0.001 0.000 0.274 412 V C 0.578 176.750 176.094 0.131 0.000 1.028 412 V CA -0.182 62.176 62.300 0.097 0.000 0.851 412 V CB 1.364 33.251 31.823 0.106 0.000 1.000 412 V HN 0.699 nan 8.190 nan 0.000 0.456 413 L N 3.901 125.167 121.223 0.072 0.000 2.558 413 L HA 0.480 4.819 4.340 -0.001 0.000 0.225 413 L C 1.218 178.125 176.870 0.061 0.000 1.128 413 L CA 1.018 55.891 54.840 0.055 0.000 0.868 413 L CB -0.801 41.277 42.059 0.031 0.000 1.006 413 L HN 0.997 nan 8.230 nan 0.000 0.454 414 G N -1.301 107.546 108.800 0.077 0.000 3.039 414 G HA2 0.182 4.142 3.960 -0.001 0.000 0.686 414 G HA3 0.182 4.142 3.960 -0.001 0.000 0.686 414 G C 0.032 174.955 174.900 0.038 0.000 1.066 414 G CA -0.497 44.643 45.100 0.067 0.000 0.774 414 G HN 0.518 nan 8.290 nan 0.000 0.591 415 G N -0.218 108.600 108.800 0.030 0.000 3.122 415 G HA2 0.889 4.849 3.960 -0.001 0.000 0.180 415 G HA3 0.889 4.849 3.960 -0.001 0.000 0.180 415 G C 0.266 175.175 174.900 0.015 0.000 1.279 415 G CA 0.649 45.760 45.100 0.018 0.000 0.987 415 G HN 1.781 nan 8.290 nan 0.000 0.589 416 S N -1.281 114.425 115.700 0.010 0.000 2.585 416 S HA 0.264 4.733 4.470 -0.001 0.000 0.277 416 S C 1.628 176.232 174.600 0.007 0.000 1.241 416 S CA -0.425 57.780 58.200 0.008 0.000 1.041 416 S CB 1.002 64.206 63.200 0.006 0.000 0.987 416 S HN 0.589 nan 8.310 nan 0.000 0.512 417 R N 1.405 121.909 120.500 0.006 0.000 2.280 417 R HA -0.007 4.332 4.340 -0.001 0.000 0.207 417 R C 1.454 177.756 176.300 0.003 0.000 1.043 417 R CA 1.391 57.494 56.100 0.005 0.000 1.006 417 R CB -1.149 29.154 30.300 0.005 0.000 0.885 417 R HN 0.679 nan 8.270 nan 0.000 0.467 418 T N -2.263 112.293 114.554 0.003 0.000 3.169 418 T HA -0.011 4.338 4.350 -0.001 0.000 0.250 418 T C 0.171 174.872 174.700 0.001 0.000 1.111 418 T CA 0.128 62.229 62.100 0.002 0.000 1.010 418 T CB 0.163 69.033 68.868 0.002 0.000 0.984 418 T HN 0.078 nan 8.240 nan 0.000 0.537 419 D N 1.734 122.135 120.400 0.001 0.000 2.613 419 D HA 0.286 4.925 4.640 -0.001 0.000 0.312 419 D C -1.614 174.685 176.300 -0.002 0.000 1.202 419 D CA -2.357 51.643 54.000 -0.000 0.000 0.825 419 D CB 1.359 42.159 40.800 0.000 0.000 1.113 419 D HN 0.034 nan 8.370 nan 0.000 0.502 420 P HA -0.163 nan 4.420 nan 0.000 0.220 420 P C 1.197 178.493 177.300 -0.007 0.000 1.148 420 P CA 0.741 63.839 63.100 -0.004 0.000 0.803 420 P CB 0.616 32.313 31.700 -0.003 0.000 0.782 421 K N -0.486 119.910 120.400 -0.006 0.000 2.057 421 K HA -0.049 4.270 4.320 -0.001 0.000 0.206 421 K C 2.147 178.741 176.600 -0.011 0.000 1.050 421 K CA 1.703 57.986 56.287 -0.008 0.000 0.935 421 K CB -0.627 31.869 32.500 -0.006 0.000 0.715 421 K HN 0.132 nan 8.250 nan 0.000 0.439 422 T N 1.441 115.989 114.554 -0.010 0.000 2.951 422 T HA -0.024 4.325 4.350 -0.001 0.000 0.268 422 T C 1.475 176.166 174.700 -0.016 0.000 1.073 422 T CA 0.767 62.859 62.100 -0.013 0.000 1.134 422 T CB -0.103 68.759 68.868 -0.010 0.000 0.884 422 T HN 0.188 nan 8.240 nan 0.000 0.479 423 N N 1.281 119.973 118.700 -0.013 0.000 2.188 423 N HA -0.091 4.649 4.740 -0.001 0.000 0.184 423 N C 1.957 177.451 175.510 -0.027 0.000 1.018 423 N CA 1.003 54.042 53.050 -0.017 0.000 0.858 423 N CB -0.243 38.238 38.487 -0.010 0.000 0.989 423 N HN 0.446 nan 8.380 nan 0.000 0.426 424 E N 1.590 121.776 120.200 -0.022 0.000 2.047 424 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 424 E C 0.999 177.581 176.600 -0.030 0.000 0.987 424 E CA 1.419 57.804 56.400 -0.025 0.000 0.799 424 E CB -0.170 29.519 29.700 -0.018 0.000 0.752 424 E HN 0.153 nan 8.360 nan 0.000 0.449 425 D N -0.398 119.986 120.400 -0.026 0.000 2.117 425 D HA -0.161 4.479 4.640 -0.001 0.000 0.197 425 D C 1.789 178.068 176.300 -0.035 0.000 0.987 425 D CA 1.169 55.153 54.000 -0.027 0.000 0.829 425 D CB -0.173 40.614 40.800 -0.023 0.000 0.961 425 D HN 0.268 nan 8.370 nan 0.000 0.460 426 M N 0.242 119.819 119.600 -0.040 0.000 2.132 426 M HA -0.063 4.417 4.480 -0.001 0.000 0.263 426 M C 2.334 178.587 176.300 -0.079 0.000 1.065 426 M CA 0.798 56.067 55.300 -0.052 0.000 1.122 426 M CB -1.238 31.335 32.600 -0.045 0.000 1.365 426 M HN -0.045 nan 8.290 nan 0.000 0.411 427 S N 0.729 116.380 115.700 -0.082 0.000 2.359 427 S HA -0.106 4.363 4.470 -0.001 0.000 0.224 427 S C 2.033 176.584 174.600 -0.081 0.000 1.035 427 S CA 0.984 59.123 58.200 -0.101 0.000 1.018 427 S CB -0.264 62.890 63.200 -0.077 0.000 0.876 427 S HN 0.458 nan 8.310 nan 0.000 0.448 428 L N 0.937 122.126 121.223 -0.056 0.000 2.042 428 L HA -0.105 4.234 4.340 -0.001 0.000 0.210 428 L C 2.560 179.405 176.870 -0.041 0.000 1.076 428 L CA 1.706 56.520 54.840 -0.043 0.000 0.749 428 L CB -0.650 41.391 42.059 -0.031 0.000 0.893 428 L HN 0.387 nan 8.230 nan 0.000 0.432 429 S N -0.267 115.407 115.700 -0.043 0.000 2.368 429 S HA -0.133 4.337 4.470 -0.001 0.000 0.224 429 S C 1.725 176.301 174.600 -0.040 0.000 1.029 429 S CA 0.784 58.963 58.200 -0.034 0.000 0.988 429 S CB -0.126 63.054 63.200 -0.032 0.000 0.838 429 S HN 0.208 nan 8.310 nan 0.000 0.462 430 L N 0.906 122.086 121.223 -0.071 0.000 2.201 430 L HA 0.173 4.512 4.340 -0.001 0.000 0.212 430 L C 1.459 178.295 176.870 -0.057 0.000 1.105 430 L CA 1.375 56.165 54.840 -0.083 0.000 0.775 430 L CB -1.908 40.044 42.059 -0.179 0.000 0.913 430 L HN 0.479 nan 8.230 nan 0.000 0.440 431 G N -0.620 108.146 108.800 -0.057 0.000 2.661 431 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.685 431 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.685 431 G C -0.434 174.427 174.900 -0.065 0.000 1.298 431 G CA -0.660 44.415 45.100 -0.041 0.000 0.855 431 G HN 0.165 nan 8.290 nan 0.000 0.560 432 E N -0.363 119.808 120.200 -0.049 0.000 2.299 432 E HA 0.670 5.019 4.350 -0.001 0.000 0.260 432 E C 0.010 176.602 176.600 -0.014 0.000 0.944 432 E CA -0.699 55.656 56.400 -0.076 0.000 0.815 432 E CB 1.780 31.452 29.700 -0.046 0.000 1.252 432 E HN 0.817 nan 8.360 nan 0.000 0.418 433 H N -1.433 117.575 119.070 -0.103 0.000 2.961 433 H HA 0.482 5.037 4.556 -0.001 0.000 0.371 433 H C -1.043 174.112 175.328 -0.288 0.000 1.190 433 H CA -0.994 54.951 56.048 -0.172 0.000 1.138 433 H CB 1.961 31.670 29.762 -0.089 0.000 1.816 433 H HN 0.256 nan 8.280 nan 0.000 0.551 434 E N 1.850 121.866 120.200 -0.306 0.000 2.179 434 E HA 0.462 4.812 4.350 -0.001 0.000 0.275 434 E C -1.130 175.072 176.600 -0.664 0.000 0.945 434 E CA -0.974 55.206 56.400 -0.366 0.000 0.792 434 E CB 2.883 32.403 29.700 -0.301 0.000 1.125 434 E HN 0.312 nan 8.360 nan 0.000 0.397 435 V N 2.573 122.152 119.914 -0.557 0.000 3.087 435 V HA 0.195 4.314 4.120 -0.001 0.000 0.306 435 V C -0.977 174.937 176.094 -0.301 0.000 1.187 435 V CA -0.845 61.078 62.300 -0.628 0.000 0.999 435 V CB 2.539 33.678 31.823 -1.139 0.000 1.049 435 V HN 0.616 nan 8.190 nan 0.000 0.431 436 E N 2.863 122.962 120.200 -0.168 0.000 2.134 436 E HA 0.585 4.934 4.350 -0.001 0.000 0.278 436 E C -0.732 175.901 176.600 0.054 0.000 0.959 436 E CA -0.574 55.797 56.400 -0.047 0.000 0.783 436 E CB 2.112 31.797 29.700 -0.025 0.000 1.095 436 E HN 0.342 nan 8.360 nan 0.000 0.399 437 R N 2.005 122.535 120.500 0.050 0.000 2.686 437 R HA 0.223 4.562 4.340 -0.001 0.000 0.283 437 R C -1.274 175.047 176.300 0.034 0.000 0.978 437 R CA -0.883 55.282 56.100 0.109 0.000 0.897 437 R CB 1.578 31.969 30.300 0.153 0.000 1.192 437 R HN 0.437 nan 8.270 nan 0.000 0.457 438 D N 1.582 121.987 120.400 0.008 0.000 2.312 438 D HA 0.113 4.753 4.640 -0.001 0.000 0.252 438 D C -0.407 175.772 176.300 -0.201 0.000 1.150 438 D CA 0.150 54.024 54.000 -0.209 0.000 0.870 438 D CB 0.841 41.348 40.800 -0.489 0.000 1.153 438 D HN 0.140 nan 8.370 nan 0.000 0.457 439 R N 3.899 124.286 120.500 -0.188 0.000 2.369 439 R HA 0.174 4.513 4.340 -0.001 0.000 0.310 439 R C -0.584 175.660 176.300 -0.093 0.000 1.141 439 R CA -0.608 55.464 56.100 -0.046 0.000 1.116 439 R CB -0.078 30.217 30.300 -0.009 0.000 1.135 439 R HN 0.385 nan 8.270 nan 0.000 0.529 440 Y N 0.848 121.165 120.300 0.028 0.000 2.480 440 Y HA 0.097 4.647 4.550 -0.001 0.000 0.338 440 Y C 0.973 176.885 175.900 0.019 0.000 1.220 440 Y CA 0.576 58.690 58.100 0.022 0.000 1.430 440 Y CB 1.070 39.543 38.460 0.022 0.000 1.311 440 Y HN 0.367 nan 8.280 nan 0.000 0.575 441 S N 2.048 117.838 115.700 0.151 0.000 2.569 441 S HA 0.762 5.231 4.470 -0.001 0.000 0.280 441 S C -1.015 173.634 174.600 0.081 0.000 1.111 441 S CA -0.859 57.396 58.200 0.092 0.000 0.887 441 S CB 1.112 64.341 63.200 0.048 0.000 1.095 441 S HN 0.663 nan 8.310 nan 0.000 0.476 453 A N 5.521 128.242 122.820 -0.166 0.000 2.285 453 A HA 0.508 4.827 4.320 -0.001 0.000 0.310 453 A C -0.646 176.871 177.584 -0.111 0.000 1.266 453 A CA -0.764 51.210 52.037 -0.106 0.000 0.832 453 A CB 0.910 19.867 19.000 -0.073 0.000 1.163 453 A HN 0.642 nan 8.150 nan 0.000 0.499 454 L N 2.636 123.810 121.223 -0.081 0.000 2.305 454 L HA 0.443 4.782 4.340 -0.001 0.000 0.281 454 L C 0.535 177.378 176.870 -0.044 0.000 1.085 454 L CA -0.081 54.722 54.840 -0.063 0.000 0.813 454 L CB 1.145 43.175 42.059 -0.048 0.000 1.157 454 L HN 0.913 nan 8.230 nan 0.000 0.436 455 E N 3.232 123.412 120.200 -0.034 0.000 2.317 455 E HA 0.584 4.934 4.350 -0.001 0.000 0.270 455 E C -1.159 175.421 176.600 -0.035 0.000 0.885 455 E CA -1.189 55.194 56.400 -0.028 0.000 0.760 455 E CB 1.819 31.509 29.700 -0.016 0.000 1.227 455 E HN 0.292 nan 8.360 nan 0.000 0.434 456 R N 1.159 121.633 120.500 -0.044 0.000 2.312 456 R HA 0.535 4.874 4.340 -0.001 0.000 0.311 456 R C -1.033 175.231 176.300 -0.061 0.000 1.004 456 R CA -0.592 55.468 56.100 -0.068 0.000 0.902 456 R CB 1.840 32.096 30.300 -0.073 0.000 1.073 456 R HN 0.430 nan 8.270 nan 0.000 0.457 457 V N 2.532 122.396 119.914 -0.084 0.000 2.760 457 V HA 0.546 4.665 4.120 -0.001 0.000 0.309 457 V C -0.207 175.845 176.094 -0.071 0.000 1.077 457 V CA -1.029 61.239 62.300 -0.054 0.000 0.910 457 V CB 2.191 34.007 31.823 -0.012 0.000 1.008 457 V HN 0.575 nan 8.190 nan 0.000 0.424 458 R N 3.267 123.748 120.500 -0.032 0.000 2.338 458 R HA 0.645 4.985 4.340 -0.001 0.000 0.317 458 R C -0.699 175.615 176.300 0.023 0.000 0.968 458 R CA -0.214 55.876 56.100 -0.017 0.000 0.849 458 R CB 1.530 31.811 30.300 -0.031 0.000 1.128 458 R HN 1.066 nan 8.270 nan 0.000 0.448 459 E N 3.119 123.352 120.200 0.054 0.000 2.430 459 E HA 0.391 4.740 4.350 -0.001 0.000 0.279 459 E C -1.013 175.530 176.600 -0.095 0.000 1.003 459 E CA -1.215 55.197 56.400 0.019 0.000 0.801 459 E CB 1.165 30.928 29.700 0.105 0.000 1.313 459 E HN 0.163 nan 8.360 nan 0.000 0.459 460 R N 1.128 121.597 120.500 -0.051 0.000 2.370 460 R HA 0.110 4.449 4.340 -0.001 0.000 0.309 460 R C 0.955 177.195 176.300 -0.100 0.000 1.059 460 R CA -0.048 56.003 56.100 -0.082 0.000 0.981 460 R CB 0.792 31.070 30.300 -0.036 0.000 0.972 460 R HN 0.519 nan 8.270 nan 0.000 0.437 461 V N 3.036 122.823 119.914 -0.210 0.000 2.343 461 V HA -0.141 3.978 4.120 -0.001 0.000 0.247 461 V C 1.055 177.200 176.094 0.085 0.000 1.051 461 V CA 1.464 63.680 62.300 -0.141 0.000 1.036 461 V CB -0.057 31.683 31.823 -0.139 0.000 0.654 461 V HN 0.394 nan 8.190 nan 0.000 0.451 462 V N 0.880 120.753 119.914 -0.069 0.000 2.443 462 V HA 0.362 4.481 4.120 -0.001 0.000 0.293 462 V C -0.099 175.925 176.094 -0.116 0.000 1.021 462 V CA -0.423 61.788 62.300 -0.149 0.000 0.848 462 V CB 1.589 33.124 31.823 -0.480 0.000 0.998 462 V HN 0.257 nan 8.190 nan 0.000 0.424 463 M N 5.433 124.997 119.600 -0.060 0.000 2.198 463 M HA 0.216 4.695 4.480 -0.001 0.000 0.315 463 M C -1.391 174.878 176.300 -0.051 0.000 1.134 463 M CA -1.133 54.143 55.300 -0.042 0.000 1.171 463 M CB 1.145 33.733 32.600 -0.019 0.000 1.413 463 M HN 0.332 nan 8.290 nan 0.000 0.467 464 P HA -0.063 nan 4.420 nan 0.000 0.217 464 P C 0.656 177.948 177.300 -0.014 0.000 1.151 464 P CA 1.330 64.412 63.100 -0.030 0.000 0.828 464 P CB 0.021 31.708 31.700 -0.022 0.000 0.788 465 A N 0.049 122.864 122.820 -0.008 0.000 2.015 465 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 465 A C 2.007 179.599 177.584 0.013 0.000 1.163 465 A CA 1.396 53.434 52.037 0.002 0.000 0.646 465 A CB -1.033 17.967 19.000 0.000 0.000 0.806 465 A HN 0.203 nan 8.150 nan 0.000 0.448 466 E N -0.436 119.773 120.200 0.015 0.000 2.208 466 E HA -0.044 4.305 4.350 -0.001 0.000 0.193 466 E C 1.608 178.265 176.600 0.095 0.000 0.988 466 E CA 0.832 57.263 56.400 0.052 0.000 0.828 466 E CB -0.161 29.573 29.700 0.055 0.000 0.763 466 E HN 0.721 nan 8.360 nan 0.000 0.478 467 I N 0.808 121.410 120.570 0.055 0.000 2.584 467 I HA -0.103 4.066 4.170 -0.001 0.000 0.255 467 I C 2.422 178.575 176.117 0.060 0.000 1.145 467 I CA 0.484 61.832 61.300 0.079 0.000 1.462 467 I CB -0.073 37.935 38.000 0.014 0.000 1.102 467 I HN 0.031 nan 8.210 nan 0.000 0.433 468 A N 0.721 123.562 122.820 0.034 0.000 2.014 468 A HA -0.087 4.232 4.320 -0.001 0.000 0.218 468 A C 1.646 179.246 177.584 0.028 0.000 1.163 468 A CA 1.343 53.395 52.037 0.025 0.000 0.652 468 A CB -0.361 18.647 19.000 0.014 0.000 0.808 468 A HN 0.351 nan 8.150 nan 0.000 0.449 469 N N -0.229 118.491 118.700 0.033 0.000 2.268 469 N HA 0.205 4.945 4.740 -0.001 0.000 0.204 469 N C -0.289 175.242 175.510 0.034 0.000 1.124 469 N CA -0.026 53.041 53.050 0.028 0.000 0.838 469 N CB -0.055 38.445 38.487 0.022 0.000 0.994 469 N HN 0.419 nan 8.380 nan 0.000 0.489 470 L N 2.908 124.161 121.223 0.050 0.000 2.462 470 L HA 0.155 4.495 4.340 -0.001 0.000 0.272 470 L C -1.652 175.229 176.870 0.018 0.000 1.166 470 L CA -1.110 53.757 54.840 0.045 0.000 0.880 470 L CB 0.573 42.676 42.059 0.074 0.000 1.142 470 L HN -0.029 nan 8.230 nan 0.000 0.473 471 P HA 0.089 nan 4.420 nan 0.000 0.274 471 P C -0.949 176.348 177.300 -0.005 0.000 1.231 471 P CA -0.613 62.485 63.100 -0.002 0.000 0.790 471 P CB 0.773 32.468 31.700 -0.009 0.000 0.951 472 D N 1.590 121.990 120.400 -0.001 0.000 2.390 472 D HA 0.012 4.651 4.640 -0.001 0.000 0.236 472 D C 1.197 177.495 176.300 -0.004 0.000 1.189 472 D CA 0.326 54.327 54.000 0.001 0.000 0.887 472 D CB 0.230 41.032 40.800 0.004 0.000 1.198 472 D HN 0.451 nan 8.370 nan 0.000 0.444 473 L N -0.362 120.861 121.223 -0.000 0.000 4.040 473 L HA -0.232 4.108 4.340 -0.001 0.000 0.410 473 L C -0.203 176.656 176.870 -0.018 0.000 1.187 473 L CA 0.581 55.421 54.840 -0.001 0.000 0.956 473 L CB -2.191 39.871 42.059 0.005 0.000 2.022 473 L HN 0.340 nan 8.230 nan 0.000 0.897 474 T N -0.596 113.938 114.554 -0.034 0.000 2.881 474 T HA 0.837 5.186 4.350 -0.001 0.000 0.290 474 T C -0.042 174.599 174.700 -0.098 0.000 1.000 474 T CA 0.071 62.124 62.100 -0.078 0.000 0.978 474 T CB 2.312 71.124 68.868 -0.094 0.000 0.997 474 T HN 0.389 nan 8.240 nan 0.000 0.443 475 A N 2.176 124.907 122.820 -0.149 0.000 2.566 475 A HA 0.820 5.139 4.320 -0.001 0.000 0.292 475 A C -2.088 175.350 177.584 -0.244 0.000 1.112 475 A CA -0.834 51.128 52.037 -0.125 0.000 0.707 475 A CB 1.195 20.172 19.000 -0.039 0.000 1.302 475 A HN 0.758 nan 8.150 nan 0.000 0.409 476 Y N 0.202 120.488 120.300 -0.024 0.000 2.331 476 Y HA 0.501 5.051 4.550 -0.001 0.000 0.338 476 Y C -0.034 175.821 175.900 -0.075 0.000 0.992 476 Y CA -0.349 57.732 58.100 -0.031 0.000 1.121 476 Y CB 2.039 40.487 38.460 -0.020 0.000 1.184 476 Y HN 0.373 nan 8.280 nan 0.000 0.469 477 V N 2.816 122.737 119.914 0.011 0.000 2.357 477 V HA 0.674 4.794 4.120 -0.001 0.000 0.284 477 V C 0.203 176.179 176.094 -0.198 0.000 1.018 477 V CA -0.820 61.376 62.300 -0.172 0.000 0.841 477 V CB 1.357 33.027 31.823 -0.256 0.000 0.991 477 V HN 0.942 nan 8.190 nan 0.000 0.437 478 G N 3.950 112.611 108.800 -0.231 0.000 2.744 478 G HA2 0.617 4.577 3.960 -0.001 0.000 0.309 478 G HA3 0.617 4.577 3.960 -0.001 0.000 0.309 478 G C -0.841 173.964 174.900 -0.158 0.000 1.328 478 G CA -0.296 44.730 45.100 -0.123 0.000 1.034 478 G HN 0.339 nan 8.290 nan 0.000 0.518 479 F N 1.816 121.803 119.950 0.061 0.000 2.406 479 F HA 0.523 5.049 4.527 -0.001 0.000 0.327 479 F C 1.285 177.110 175.800 0.042 0.000 1.153 479 F CA -0.100 57.932 58.000 0.054 0.000 1.218 479 F CB 1.121 40.149 39.000 0.047 0.000 1.215 479 F HN 0.586 nan 8.300 nan 0.000 0.570 480 A N 1.667 124.646 122.820 0.265 0.000 2.492 480 A HA 0.452 4.772 4.320 -0.001 0.000 0.236 480 A C 0.889 178.541 177.584 0.114 0.000 1.078 480 A CA 0.394 52.515 52.037 0.140 0.000 0.773 480 A CB -0.919 18.138 19.000 0.094 0.000 1.023 480 A HN 1.648 nan 8.150 nan 0.000 0.504 481 G N 0.558 109.401 108.800 0.072 0.000 2.645 481 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.239 481 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.239 481 G C 0.075 175.013 174.900 0.063 0.000 1.331 481 G CA 0.283 45.416 45.100 0.055 0.000 0.890 481 G HN 1.610 nan 8.290 nan 0.000 0.572 482 N N 1.846 120.577 118.700 0.051 0.000 2.895 482 N HA 0.317 5.056 4.740 -0.001 0.000 0.277 482 N C 0.168 175.712 175.510 0.057 0.000 1.185 482 N CA 0.105 53.186 53.050 0.051 0.000 1.106 482 N CB -0.297 38.214 38.487 0.040 0.000 1.422 482 N HN 0.580 nan 8.380 nan 0.000 0.521 483 R N 1.929 122.476 120.500 0.078 0.000 2.686 483 R HA 0.526 4.865 4.340 -0.001 0.000 0.283 483 R C -2.577 173.775 176.300 0.086 0.000 0.978 483 R CA -1.594 54.563 56.100 0.094 0.000 0.897 483 R CB 1.137 31.535 30.300 0.164 0.000 1.192 483 R HN 0.312 nan 8.270 nan 0.000 0.457 484 P HA 0.268 nan 4.420 nan 0.000 0.274 484 P C 0.104 177.454 177.300 0.083 0.000 1.256 484 P CA -0.459 62.671 63.100 0.049 0.000 0.795 484 P CB 0.763 32.472 31.700 0.016 0.000 1.038 485 I N -2.589 118.031 120.570 0.083 0.000 2.918 485 I HA 0.828 4.997 4.170 -0.001 0.000 0.316 485 I C -0.675 175.518 176.117 0.127 0.000 1.001 485 I CA -1.254 60.105 61.300 0.099 0.000 1.142 485 I CB 1.645 39.710 38.000 0.107 0.000 1.356 485 I HN 0.427 nan 8.210 nan 0.000 0.524 486 A N 2.860 125.762 122.820 0.136 0.000 2.589 486 A HA 0.490 4.809 4.320 -0.001 0.000 0.296 486 A C -1.234 176.373 177.584 0.038 0.000 1.062 486 A CA -0.839 51.263 52.037 0.108 0.000 0.686 486 A CB 1.583 20.627 19.000 0.074 0.000 1.282 486 A HN 0.775 nan 8.150 nan 0.000 0.404 487 K N 1.707 122.068 120.400 -0.065 0.000 2.253 487 K HA 0.609 4.929 4.320 -0.001 0.000 0.277 487 K C -1.297 175.196 176.600 -0.180 0.000 1.053 487 K CA -0.178 55.900 56.287 -0.348 0.000 0.892 487 K CB 0.814 33.058 32.500 -0.428 0.000 1.102 487 K HN 0.488 nan 8.250 nan 0.000 0.469 488 V N 6.385 126.200 119.914 -0.164 0.000 2.823 488 V HA 0.500 4.619 4.120 -0.001 0.000 0.312 488 V C -2.292 173.757 176.094 -0.076 0.000 1.072 488 V CA -1.869 60.383 62.300 -0.079 0.000 0.937 488 V CB 1.953 33.760 31.823 -0.027 0.000 1.013 488 V HN 0.824 nan 8.190 nan 0.000 0.430 489 P HA 0.458 nan 4.420 nan 0.000 0.284 489 P C -1.326 175.972 177.300 -0.003 0.000 1.258 489 P CA -0.504 62.578 63.100 -0.029 0.000 0.824 489 P CB 1.662 33.349 31.700 -0.022 0.000 1.038 490 L N 1.799 123.025 121.223 0.004 0.000 2.282 490 L HA 0.345 4.684 4.340 -0.001 0.000 0.288 490 L C 1.060 177.950 176.870 0.033 0.000 1.033 490 L CA -0.553 54.303 54.840 0.027 0.000 0.807 490 L CB 1.069 43.147 42.059 0.031 0.000 1.209 490 L HN 0.434 nan 8.230 nan 0.000 0.423 491 E N 4.839 125.067 120.200 0.047 0.000 2.229 491 E HA 0.204 4.553 4.350 -0.001 0.000 0.283 491 E C -0.542 176.094 176.600 0.060 0.000 1.030 491 E CA -0.598 55.828 56.400 0.044 0.000 0.836 491 E CB 0.965 30.693 29.700 0.046 0.000 1.068 491 E HN 0.539 nan 8.360 nan 0.000 0.401 492 I N 5.634 126.231 120.570 0.045 0.000 2.270 492 I HA 0.058 4.227 4.170 -0.001 0.000 0.300 492 I C 0.764 176.910 176.117 0.048 0.000 1.186 492 I CA -0.062 61.272 61.300 0.057 0.000 1.431 492 I CB -0.205 37.817 38.000 0.037 0.000 1.485 492 I HN 0.378 nan 8.210 nan 0.000 0.650 493 K N 4.505 124.950 120.400 0.074 0.000 2.295 493 K HA 0.123 4.442 4.320 -0.001 0.000 0.270 493 K C -0.101 176.457 176.600 -0.071 0.000 1.011 493 K CA -0.420 55.838 56.287 -0.048 0.000 0.953 493 K CB 0.726 33.158 32.500 -0.113 0.000 0.956 493 K HN 0.369 nan 8.250 nan 0.000 0.477 494 Q N 3.065 122.728 119.800 -0.229 0.000 2.257 494 Q HA 0.290 4.629 4.340 -0.001 0.000 0.255 494 Q C -1.000 174.766 176.000 -0.390 0.000 0.920 494 Q CA -0.149 55.559 55.803 -0.160 0.000 0.927 494 Q CB 1.004 29.671 28.738 -0.120 0.000 1.229 494 Q HN 0.393 nan 8.270 nan 0.000 0.433 495 F N 0.317 120.172 119.950 -0.158 0.000 2.520 495 F HA 0.561 5.087 4.527 -0.001 0.000 0.322 495 F C 0.345 176.026 175.800 -0.199 0.000 1.103 495 F CA -1.041 56.823 58.000 -0.227 0.000 0.926 495 F CB 1.577 40.371 39.000 -0.344 0.000 1.154 495 F HN 0.510 nan 8.300 nan 0.000 0.453 496 A N 2.355 125.160 122.820 -0.026 0.000 2.354 496 A HA 0.330 4.649 4.320 -0.001 0.000 0.269 496 A C -0.162 177.377 177.584 -0.075 0.000 1.109 496 A CA -0.723 51.283 52.037 -0.052 0.000 0.800 496 A CB 0.009 18.978 19.000 -0.053 0.000 1.045 496 A HN 0.866 nan 8.150 nan 0.000 0.489 497 N N 1.818 120.472 118.700 -0.077 0.000 2.402 497 N HA 0.116 4.855 4.740 -0.001 0.000 0.259 497 N C 0.419 175.878 175.510 -0.084 0.000 1.167 497 N CA -0.199 52.793 53.050 -0.096 0.000 0.949 497 N CB 0.676 39.116 38.487 -0.077 0.000 1.212 497 N HN 0.584 nan 8.380 nan 0.000 0.493 498 R N 1.259 121.699 120.500 -0.100 0.000 2.297 498 R HA 0.057 4.396 4.340 -0.001 0.000 0.197 498 R C 0.151 176.404 176.300 -0.080 0.000 0.943 498 R CA 0.541 56.597 56.100 -0.073 0.000 1.038 498 R CB 0.213 30.479 30.300 -0.058 0.000 0.957 498 R HN 0.528 nan 8.270 nan 0.000 0.484 499 Q N -0.144 119.595 119.800 -0.101 0.000 2.435 499 Q HA 0.299 4.638 4.340 -0.001 0.000 0.282 499 Q C -2.781 173.162 176.000 -0.095 0.000 1.020 499 Q CA -2.230 53.510 55.803 -0.104 0.000 0.820 499 Q CB 3.002 31.653 28.738 -0.145 0.000 1.436 499 Q HN -0.169 nan 8.270 nan 0.000 0.395 500 P HA 0.092 nan 4.420 nan 0.000 0.276 500 P C -0.613 176.656 177.300 -0.052 0.000 1.230 500 P CA 0.166 63.231 63.100 -0.058 0.000 0.776 500 P CB 1.489 33.155 31.700 -0.055 0.000 0.888 501 A N 3.942 126.749 122.820 -0.021 0.000 1.877 501 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 501 A C 0.665 178.316 177.584 0.113 0.000 1.186 501 A CA 1.295 53.335 52.037 0.004 0.000 0.620 501 A CB -0.694 18.304 19.000 -0.004 0.000 0.822 501 A HN 0.563 nan 8.150 nan 0.000 0.443 502 F N -0.635 119.279 119.950 -0.060 0.000 2.539 502 F HA 0.575 5.102 4.527 -0.001 0.000 0.318 502 F C -1.003 174.784 175.800 -0.022 0.000 1.135 502 F CA -1.478 56.502 58.000 -0.034 0.000 0.915 502 F CB 2.060 41.047 39.000 -0.023 0.000 1.176 502 F HN -0.124 nan 8.300 nan 0.000 0.440 503 V N 6.004 125.588 119.914 -0.549 0.000 2.487 503 V HA 0.583 4.703 4.120 -0.001 0.000 0.298 503 V C -0.215 175.502 176.094 -0.629 0.000 1.028 503 V CA -0.390 61.641 62.300 -0.449 0.000 0.860 503 V CB 1.328 33.007 31.823 -0.241 0.000 0.991 503 V HN 0.855 nan 8.190 nan 0.000 0.427 504 E N 2.280 122.217 120.200 -0.439 0.000 7.278 504 E HA 0.011 4.361 4.350 -0.001 0.000 0.539 504 E C 0.090 176.509 176.600 -0.302 0.000 1.442 504 E CA 1.215 57.432 56.400 -0.305 0.000 2.853 504 E CB -0.912 28.634 29.700 -0.256 0.000 0.958 504 E HN 1.798 nan 8.360 nan 0.000 0.281 505 G N -1.094 107.663 108.800 -0.072 0.000 2.472 505 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.205 505 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.205 505 G C -0.107 174.875 174.900 0.137 0.000 1.270 505 G CA 0.587 45.777 45.100 0.149 0.000 0.974 505 G HN 0.988 nan 8.290 nan 0.000 0.542 506 T N 0.000 114.672 114.554 0.196 0.000 3.816 506 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 506 T CA 0.000 62.177 62.100 0.128 0.000 1.349 506 T CB 0.000 68.941 68.868 0.122 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658