X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2FDNA-PROT_scbase.parm;fp=PARAM%2FDNA-PROT_scbase.parm;h=fd5664878cd5fa2b866e41dbedf63bc7b39e3382;hb=fa303bca64ee8c5549cdc075600e06fb60974c9c;hp=0000000000000000000000000000000000000000;hpb=254aac5de5a2d56e17a059d77c5f32f7b77a41fa;p=unres4.git diff --git a/PARAM/DNA-PROT_scbase.parm b/PARAM/DNA-PROT_scbase.parm new file mode 100644 index 0000000..fd56648 --- /dev/null +++ b/PARAM/DNA-PROT_scbase.parm @@ -0,0 +1,482 @@ +1.20 3.37 -0.167 -0.087 -0.972 -0.046 !block LJ +1.62 3.33 0.01 1.91 1.84 2.45 0.561 0.241 !block cavity +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !CysAGCT +1.2 3.43 -0.151 -0.023 -0.840 -0.073 +1.60 3.12 0.004 1.90 1.90 2.53 0.538 0.173 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 ! CysG +0.90 3.77 -0.127 -0.166 -0.892 0.024 +1.39 2.71 0.001 1.95 1.77 2.35 0.703 0.215 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 ! CysC +1.00 3.73 -0.148 0.173 -0.761 0.475 +2.26 3.30 1.26 1.98 1.37 1.82 0.914 0.036 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 ! CysT +1.00 3.55 -0.042 0.044 -0.979 0.054 +1.73 2.97 0.0004 1.94 1.67 2.22 0.745 0.404 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetA +1.60 3.47 0.032 0.195 -0.761 -0.020 +2.07 3.30 0.03 1.87 1.86 2.47 0.630 0.433 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetG +1.20 3.71 0.138 0.090 -0.359 0.578 +1.49 2.97 0.06 2.01 1.36 1.81 0.966 0.107 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetC +1.52 3.67 0.068 0.049 -0.557 0.316 +1.80 3.18 0.002 1.99 1.43 1.90 0.930 0.149 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetT +0.80 3.69 -0.053 0.131 -0.936 0.052 +1.27 2.81 0.38 1.98 1.65 2.19 0.771 0.449 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheA +2.00 3.59 -0.010 0.088 -0.869 -0.007 +2.03 3.27 0.04 1.86 1.97 2.61 0.650 0.187 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheG +0.80 3.68 0.196 0.171 -0.278 0.238 +0.75 2.60 0.07 2.00 1.70 2.25 0.710 0.640 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheC +1.60 3.65 0.220 -0.275 0.053 -0.845 +1.51 3.00 0.01 1.95 1.94 2.57 0.380 0.464 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheT +1.60 3.75 -0.132 0.071 -0.845 0.040 +1.85 3.00 0.04 1.87 2.01 2.67 0.572 0.216 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !IleA +1.60 3.78 -0.183 0.109 -0.911 0.079 +1.93 3.21 0.01 1.88 1.93 2.57 0.619 0.201 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !IleG +1.60 4.08 -0.121 -0.003 -0.678 0.108 +1.74 2.94 0.92 1.96 1.68 2.23 0.839 0.126 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !IleC +1.60 3.99 -0.265 0.135 -0.760 0.179 +2.11 3.21 0.08 1.95 1.49 1.98 0.904 0.054 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !IleT +1.20 3.83 -0.052 0.222 -0.707 0.472 +0.57 14.48 3.35 2.23 1.40 1.86 0.945 0.072 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !LeuA +4.00 3.51 0.143 0.051 -0.161 -0.196 +0.67 14.76 0.01 1.86 2.35 3.12 0.318 0.241 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !LeuG +1.20 4.05 0.161 0.127 -0.114 0.208 +1.14 2.46 1.59 1.98 1.95 2.59 0.623 0.604 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !LeuC +1.87 3.95 -0.052 0.180 -0.468 0.278 +0.68 14.73 1.94 2.05 1.55 2.06 0.864 0.141 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !LeuT +1.60 3.67 -0.086 0.032 -0.724 0.009 +1.83 3.03 0.12 1.85 2.09 2.78 0.478 0.232 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ValA +1.60 3.72 -0.097 0.067 -0.688 0.026 +1.73 3.00 0.03 1.86 2.06 2.74 0.495 0.296 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ValG +1.60 3.91 -0.001 -0.048 -0.428 0.006 +1.34 2.79 0.01 1.85 2.23 2.97 0.435 0.303 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ValC +1.20 3.99 -0.098 0.225 -0.597 0.759 +1.45 2.81 0.07 2.03 1.37 1.83 0.974 -0.025 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ValT +1.00 3.68 0.200 0.219 0.050 0.348 +0.30 1.00 0.00005 2.08 1.66 2.21 0.788 0.759 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TrpA +1.60 3.70 -0.040 0.065 -0.874 -0.013 +1.97 2.90 0.006 1.92 1.85 2.47 0.721 0.260 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TrpG +1.00 3.73 0.101 0.040 -0.478 0.027 +1.06 2.66 0.03 1.94 1.86 2.47 0.699 0.459 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TrpC +1.60 3.64 0.132 0.276 0.071 0.420 +0.89 2.72 0.003 1.97 1.80 2.20 0.462 0.537 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TrpT +1.00 3.58 0.114 0.129 -0.216 0.206 +0.93 2.54 1.13 2.09 1.50 2.00 0.811 0.609 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TyrA +2.00 3.57 0.195 -0.064 0.043 -0.997 +2.39 3.43 0.004 1.90 1.75 2.33 0.205 0.778 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TyrG +0.60 3.64 0.302 0.354 -0.017 0.974 +0.10 1.42 3.29 2.18 1.32 1.75 0.451 0.533 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TyrC +2.40 3.51 -0.081 0.119 -0.878 0.094 +2.97 3.49 0.03 1.84 1.73 2.30 0.705 0.161 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !TyrT +1.60 3.25 -0.052 0.025 -0.449 -0.080 +1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaA +1.60 3.28 -0.016 0.077 -0.540 -0.025 +1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaG +1.60 3.50 -0.016 -0.290 -0.427 -0.094 +1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaC +1.60 3.41 0.018 -0.238 -0.393 -0.110 +1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaT +0.55 3.13 -0.217 -0.037 -0.997 0.019 +1.00 2.63 0.05 1.98 1.84 2.44 0.337 0.292 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !GlyA +1.20 2.91 -0.031 0.032 -0.594 0.008 +1.45 2.68 0.17 2.10 1.96 2.61 0.248 0.225 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !GlyG +0.24 3.63 -0.088 -0.323 -1.000 0.071 +1.95 2.66 1.92 2.07 1.37 1.82 0.142 0.780 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !GlyC +0.50 3.51 -0.336 0.082 -0.938 0.369 +1.35 2.94 1.21 2.08 1.12 1.48 0.967 0.012 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !GlyT +0.80 3.68 -0.159 -0.025 -0.998 -0.50 +0.38 14.58 0.43 2.28 1.85 2.20 0.685 0.307 +0.0 0.0 0.0 0.0 +5.782 35.876 35.053 0.0 0.0 +0.0 0.0 !ThrA +1.80 3.48 -0.048 -0.029 -0.528 -0.082 +0.49 14.55 0.03 2.19 2.28 2.71 0.401 0.223 +0.0 0.0 0.0 0.0 +3.794 35.889 35.474 0.0 0.0 +0.0 0.0 !ThrG +0.80 3.92 -0.110 -0.137 -0.956 0.046 +0.35 14.54 0.01 2.24 2.06 2.45 0.630 0.265 +0.0 0.0 0.0 0.0 +6.386 35.972 34.505 0.0 0.0 +0.0 0.0 !ThrC +0.40 3.97 -0.031 0.152 -0.999 0.270 +0.13 14.55 0.05 2.25 2.05 2.45 0.557 0.636 +0.0 0.0 0.0 0.0 +5.010 35.265 32.821 0.0 0.0 +0.0 0.0 !ThrT +0.60 3.53 -0.115 -0.128 -1.000 0.007 +0.28 14.57 0.03 2.29 1.77 2.11 0.685 0.328 +0.0 0.0 0.0 0.0 +3.240 35.343 33.758 0.0 0.0 +0.0 0.0 !SerA +0.80 3.51 -0.209 -0.033 -0.997 -0.0003 +0.32 14.60 0.04 2.24 1.87 2.23 0.642 0.209 +0.0 0.0 0.0 0.0 +0.018 35.284 32.678 0.0 0.0 +0.0 0.0 !SerG +0.80 3.68 -0.070 -0.158 -0.745 -0.060 +0.28 14.26 0.17 2.31 1.95 2.33 0.662 0.190 +0.0 0.0 0.0 0.0 +0.148 29.330 0.755 0.0 0.0 +0.0 0.0 !SerC +0.60 3.68 -0.121 -0.090 -0.997 0.041 +0.25 14.68 0.08 2.16 1.81 2.15 0.714 0.302 +0.0 0.0 0.0 0.0 +1.384 33.437 21.906 0.0 0.0 +0.0 0.0 !SerT +1.20 3.51 0.041 0.100 -0.992 0.015 +0.50 14.43 0.01 2.29 1.92 2.29 0.705 0.356 +0.0 0.0 0.0 0.0 +0.030 35.098 31.323 0.0 0.0 +0.0 0.0 !GlnA +1.20 3.57 -0.090 0.066 -1.000 -0.001 +0.53 14.58 0.21 2.27 1.82 2.17 0.764 0.190 +0.0 0.0 0.0 0.0 +0.001 35.631 35.077 0.0 0.0 +0.0 0.0 !GlnG +1.20 3.81 -0.059 -0.043 -0.831 0.0004 +0.45 14.56 0.02 2.31 1.79 2.14 0.836 0.135 +0.0 0.0 0.0 0.0 +1.113 35.347 34.502 0.0 0.0 +0.0 0.0 !GlnC +1.20 3.71 -0.057 -0.050 -0.941 -0.032 +0.49 14.58 0.55 2.29 1.77 2.11 0.841 0.141 +0.0 0.0 0.0 0.0 +0.016 35.641 34.421 0.0 0.0 +0.0 0.0 !GlnT +1.20 3.48 -0.214 0.065 -1.000 -0.024 +0.48 14.58 0.73 2.28 1.86 2.22 0.684 0.212 +0.0 0.0 0.0 0.0 +0.003 35.890 35.725 0.0 0.0 +0.0 0.0 !AsnA +1.20 3.52 -0.253 0.010 -1.000 -0.017 +0.48 14.57 0.88 2.29 1.86 2.22 0.682 0.164 +0.0 0.0 0.0 0.0 +0.038 35.945 35.791 0.0 0.0 +0.0 0.0 !AsnG +1.20 3.74 -0.019 -0.231 -0.738 -0.078 +0.35 14.56 0.07 2.22 2.12 2.53 0.623 0.278 +0.0 0.0 0.0 0.0 +0.011 36.033 34.968 0.0 0.0 +0.0 0.0 !AsnC +1.20 3.57 -0.083 -0.072 -0.759 -0.110 +0.43 14.56 1.11 2.25 2.07 2.47 0.587 0.165 +0.0 0.0 0.0 0.0 +0.003 35.936 35.802 0.0 0.0 +0.0 0.0 !AsnT +0.80 3.80 -0.106 0.063 -0.992 0.030 +0.47 14.52 3.10 2.12 1.90 2.53 0.618 0.377 +0.047 0.065 2.00 1.00 +0.0 0.0 0.0 1.448 2.794 +0.0018 0.60 !GluA +0.80 3.83 0.141 -0.048 -0.045 -0.918 +0.40 14.47 3.20 2.13 2.02 2.69 0.354 0.653 +0.000 0.106 2.00 1.00 +0.0 0.0 0.0 9.597 2.531 +0.0054 0.60 !GluG +1.00 3.95 0.090 -0.021 -0.524 -0.062 +0.35 14.54 2.93 2.06 2.12 2.82 0.544 0.383 +0.010 0.048 2.00 1.00 +0.0 0.0 0.0 3.487 2.527 +0.0011 0.60 !GluC +0.80 4.02 -0.062 -0.059 -0.923 0.002 +0.52 14.49 3.22 2.16 1.91 2.41 0.688 0.388 +0.792 0.212 2.00 1.00 +0.0 0.0 0.0 6.126 2.686 +0.0022 0.60 !GluT +0.80 3.74 -0.184 -0.558 -0.991 -0.151 +0.56 14.47 3.36 2.12 2.06 2.74 0.428 0.139 +0.124 0.625 2.00 1.00 +0.0 0.0 0.0 0.005 2.140 +0.0133 0.60 !AspA +0.40 3.99 0.057 -0.022 -0.106 -0.998 +0.26 14.75 0.01 1.96 1.91 2.53 0.149 0.834 +1.022 0.779 2.00 1.00 +0.0 0.0 0.0 15.412 0.012 +0.0000 0.61 !AspG +0.80 3.98 0.057 -0.043 -0.042 -0.753 +0.37 14.46 3.42 2.12 2.09 2.78 0.510 0.300 +0.025 0.617 2.00 1.00 +0.0 0.0 0.0 0.0 2.083 +0.0152 0.60 !AspC +0.20 4.18 0.015 -0.012 -0.997 0.063 +1.41 14.56 3.29 2.22 1.21 1.60 0.497 0.739 +0.008 0.426 2.00 1.00 +0.0 0.0 0.0 0.002 2.566 +0.0047 0.60 !AspT +1.20 3.54 -0.014 0.168 -0.919 0.059 +1.52 2.87 0.04 1.95 1.71 2.28 0.730 0.384 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !HisA +1.80 3.54 -0.022 0.091 -0.920 -0.036 +2.08 3.34 0.01 1.88 1.88 2.50 0.670 0.153 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !HisG +1.20 3.69 0.114 0.013 -0.497 0.014 +1.21 2.75 0.07 1.98 1.75 2.33 0.737 0.399 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !HisC +1.40 3.65 0.240 0.183 -0.138 0.091 +0.46 2.56 0.11 1.99 1.84 2.45 0.666 0.660 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !HisT +1.20 3.41 0.261 0.005 0.030 -0.993 +0.64 14.59 2.63 2.09 1.84 2.44 0.528 0.563 +0.001 0.942 2.00 1.00 +0.0 0.0 0.0 0.014 3.091 +0.0018 0.60 !ArgA +1.10 3.41 0.284 -0.146 0.048 -0.992 +0.56 14.57 2.73 2.13 1.69 2.25 0.426 0.643 +0.454 0.792 2.00 1.00 +0.0 0.0 0.0 0.025 4.334 +0.00003 0.60 !ArgG +1.20 3.26 0.332 -0.064 0.010 -0.999 +0.52 14.46 2.30 2.07 1.79 2.38 0.555 0.511 +0.238 1.830 2.00 1.00 +0.0 0.0 0.0 0.003 3.596 +0.0007 0.60 !ArgC +0.80 3.56 0.154 -0.134 -0.102 -0.799 +0.47 14.48 3.33 2.20 1.68 2.23 0.613 0.518 +0.066 0.671 2.00 1.00 +0.0 0.0 0.0 0.194 2.302 +0.0102 0.60 !ArgT +0.80 3.17 0.248 0.167 -0.113 -0.326 +1.63 1.70 14.58 3.29 1.21 1.61 0.315 0.443 +0.010 0.546 3.00 1.00 +0.0 0.0 0.0 1.939 0.015 +0.0193 0.60 !LysA +0.70 3.55 0.146 -0.141 -0.082 -0.926 +0.39 14.33 3.44 2.28 1.70 2.26 0.629 0.572 +0.000 0.704 2.00 1.00 +0.0 0.0 0.0 0.032 2.721 +0.0030 0.60 !LysG +0.45 3.90 0.084 -0.189 -0.203 -0.715 +0.41 14.49 3.25 2.22 1.49 1.98 0.819 0.555 +0.000 0.893 2.00 1.00 +0.0 0.0 0.0 0.062 3.318 +0.0013 0.60 !LysC +0.70 4.03 0.088 -0.517 -0.918 -0.143 +0.49 14.47 3.37 2.15 1.94 2.58 0.696 0.410 +0.000 0.789 2.00 1.00 +0.0 0.0 0.0 0.022 2.311 +0.0105 0.60 !LysT +1.60 3.51 -0.131 0.011 -0.742 -0.034 +1.88 3.04 0.13 1.88 1.96 2.61 0.520 0.271 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ProA +1.60 3.53 -0.001 -0.008 -0.463 -0.115 +1.61 2.94 0.04 1.88 2.05 2.72 0.465 0.235 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ProG +1.20 3.83 -0.027 -0.045 -0.473 0.012 +1.32 2.84 0.07 1.91 1.97 2.62 0.547 0.377 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ProC +1.00 3.80 -0.056 0.114 -0.599 0.409 +1.49 2.84 0.05 2.02 1.39 1.85 0.908 0.109 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !ProT +1.00 3.55 -0.042 0.044 -0.979 0.054 +1.73 2.97 0.0004 1.94 1.67 2.22 0.745 0.404 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetA +1.60 3.47 0.032 0.195 -0.761 -0.020 +2.07 3.30 0.03 1.87 1.86 2.47 0.630 0.433 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetG +1.20 3.71 0.138 0.090 -0.359 0.578 +1.49 2.97 0.06 2.01 1.36 1.81 0.966 0.107 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetC +1.52 3.67 0.068 0.049 -0.557 0.316 +1.80 3.18 0.002 1.99 1.43 1.90 0.930 0.149 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !MetT +0.80 3.69 -0.053 0.131 -0.936 0.052 +1.27 2.81 0.38 1.98 1.65 2.19 0.771 0.449 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheA +2.00 3.59 -0.010 0.088 -0.869 -0.007 +2.03 3.27 0.04 1.86 1.97 2.61 0.650 0.187 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheG +0.80 3.68 0.196 0.171 -0.278 0.238 +0.75 2.60 0.07 2.00 1.70 2.25 0.710 0.640 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheC +1.60 3.65 0.220 -0.275 0.053 -0.845 +1.51 3.00 0.01 1.95 1.94 2.57 0.380 0.464 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !PheT +1.60 3.25 -0.052 0.025 -0.449 -0.080 +1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaA +1.60 3.28 -0.016 0.077 -0.540 -0.025 +1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaG +1.60 3.50 -0.016 -0.290 -0.427 -0.094 +1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaC +1.60 3.41 0.018 -0.238 -0.393 -0.110 +1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaT +1.60 3.25 -0.052 0.025 -0.449 -0.080 +1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaA +1.60 3.28 -0.016 0.077 -0.540 -0.025 +1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaG +1.60 3.50 -0.016 -0.290 -0.427 -0.094 +1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaC +1.60 3.41 0.018 -0.238 -0.393 -0.110 +1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227 +0.0 0.0 0.0 0.0 +0.0 0.0 0.0 0.0 0.0 +0.0 0.0 !AlaT + +