data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19209_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -3.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.12 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 5.47 _LACS_plot.Y_axis_chem_shift_offset 0.83 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 220 TYR -6.37 -1.83 0 219 HIS 3.74 5.70 0 190 ILE 6.89 0.27 0 10 ASN 7.02 4.69 1 11 THR 3.44 1.35 1 12 LEU 1.25 0.58 1 13 ILE -6.18 -3.06 1 14 ASP 0.29 -3.08 1 15 THR 7.84 5.28 1 16 ALA 4.49 2.57 1 18 ALA 3.12 2.41 1 20 ARG 5.09 2.45 1 21 ARG 5.78 2.36 1 23 MET 4.10 2.03 1 24 LEU 4.78 2.58 1 25 GLU 3.39 1.30 1 26 VAL 7.66 4.70 1 27 ILE 7.29 5.67 1 28 LYS 5.31 3.03 1 29 LEU 4.14 2.85 1 30 LEU 4.83 2.54 1 31 GLN 4.14 2.03 1 32 SER 2.58 1.70 1 33 LYS 1.72 1.12 1 34 TYR 0.36 -0.37 1 35 HIS 4.77 2.12 1 36 TYR 0.51 -1.01 1 37 LYS 2.07 -1.20 1 38 GLU 5.55 2.78 1 39 GLU 4.54 1.31 1 40 ALA 2.82 2.89 1 41 GLU 3.84 2.59 1 42 ILE 4.43 2.58 1 43 ILE 5.65 4.32 1 45 ASP 4.66 3.01 1 46 LYS 3.22 2.63 1 47 VAL 8.42 4.61 1 48 GLN 5.16 3.13 1 49 VAL 5.89 3.49 1 50 LYS 5.79 3.08 1 51 LEU 2.79 1.99 1 52 SER 2.32 1.47 1 53 LYS 0.61 -1.02 1 56 PHE -2.22 -2.19 1 59 TYR 3.56 -0.39 1 60 ASN 1.21 -0.31 1 61 THR 0.27 -0.66 1 63 ILE 1.70 -0.09 1 64 THR 6.19 4.36 1 70 HIS 0.58 2.49 1 71 TRP 3.88 2.64 1 72 GLU 2.73 3.30 1 73 GLU 2.36 1.50 1 74 ALA 1.44 2.36 1 75 ILE 5.72 4.69 1 76 GLN 5.38 3.62 1 77 GLU 1.86 1.40 1 78 THR 4.30 3.23 1 79 LYS 0.56 -2.13 1 82 ALA -0.97 -1.48 1 83 ALA 1.68 -0.10 1 84 ASN -1.27 -2.64 1 85 ARG 4.40 1.72 1 86 LYS 4.88 2.31 1 87 LEU 2.38 1.17 1 88 ALA 4.43 2.94 1 89 GLU 3.62 2.67 1 90 GLU 3.66 2.65 1 92 TYR 4.49 3.06 1 93 PHE 6.23 3.31 1 94 LEU 4.10 2.13 1 95 TRP 6.88 4.86 1 96 LYS 3.79 2.92 1 97 SER 4.44 2.37 1 98 THR 6.79 4.91 1 99 ARG 4.74 2.57 1 100 LEU 4.43 2.31 1 101 GLN 3.25 1.54 1 102 HIS -0.19 1.13 1 103 MET 2.34 -0.17 1 104 THR -3.68 -2.64 1 105 LEU -1.45 -1.67 1 106 ALA -0.82 -1.28 1 107 GLU 4.38 2.73 1 108 ASP 4.43 1.46 1 109 VAL 6.10 3.71 1 110 LYS 5.52 3.88 1 111 ALA 4.19 2.04 1 112 MET 6.16 3.32 1 113 LEU 4.70 2.41 1 114 THR 6.68 5.00 1 115 GLU 3.18 1.61 1 116 LEU 3.15 2.36 1 117 ARG 1.02 0.04 1 118 LYS 3.08 1.94 1 119 GLU -2.88 -0.35 1 120 VAL -5.10 -3.40 1 122 LEU -5.70 -2.18 1 123 LEU -4.00 -1.66 1 124 LEU -2.46 -2.39 1 125 LEU -1.63 -2.37 1 126 THR -4.21 -4.69 1 127 ASN -1.07 -1.07 1 129 ASP 0.11 -0.13 1 130 ARG 3.80 3.09 1 131 GLN 4.69 3.07 1 132 THR 5.96 3.15 1 133 GLN 2.80 2.20 1 134 ARG 6.21 2.81 1 135 GLU 3.46 2.12 1 136 LYS 3.18 3.21 1 137 ILE 4.77 3.79 1 138 GLU 3.52 2.22 1 139 ALA 3.47 2.34 1 141 ALA 3.35 -0.07 1 143 GLN 6.89 4.38 1 144 SER 3.55 1.68 1 145 TYR 1.82 0.98 1 146 PHE -3.02 -0.34 1 147 ASP 2.68 2.87 1 148 ALA -3.65 -1.01 1 149 VAL -2.10 -1.20 1 150 VAL -1.60 -0.93 1 151 VAL -3.06 -3.07 1 154 GLU 0.03 -1.01 1 155 GLN -3.70 -3.76 1 156 ARG 4.54 2.86 1 157 GLU -6.41 -2.78 1 158 GLU -3.75 -3.77 1 159 LYS 5.15 2.81 1 161 ALA 1.31 0.50 1 164 ILE 5.10 2.96 1 165 PHE 6.27 4.69 1 166 TYR 4.55 0.82 1 167 TYR 4.96 3.34 1 170 ASN 3.84 2.56 1 171 LEU 3.41 2.15 1 172 LEU -2.40 -1.34 1 174 VAL -4.83 -4.27 1 175 GLN -0.20 -1.27 1 180 VAL -4.85 -3.06 1 181 MET -4.41 -2.37 1 182 VAL -2.27 -2.81 1 184 ASP -0.95 -0.48 1 185 THR 2.04 0.00 1 186 LEU 4.17 2.23 1 187 GLU 4.52 2.70 1 188 THR 0.21 -2.05 1 189 ASP 3.38 4.40 1 191 GLN 3.19 1.62 1 194 LEU 4.72 2.08 1 195 ASN 3.30 1.36 1 196 ALA -1.79 -1.85 1 198 LEU 3.00 -0.95 1 199 LYS 4.82 2.45 1 200 ALA -4.90 -2.48 1 201 THR -4.67 -2.93 1 202 VAL -1.91 -2.21 1 203 TRP -4.89 -4.14 1 204 ILE 1.28 -2.31 1 205 ASN -1.02 -4.18 1 206 LYS 3.32 2.11 1 207 ASN -0.06 -0.73 1 209 ILE 0.81 -0.21 1 210 VAL 0.74 -0.47 1 212 LEU -0.07 -0.98 1 214 SER 0.68 -0.86 1 215 SER 3.67 1.74 1 217 VAL -0.92 -1.60 1 221 MET -4.47 -1.29 1 222 VAL -4.99 -3.83 1 223 SER 0.81 0.38 1 224 SER -3.57 -2.73 1 225 VAL 3.70 1.61 1 226 LEU 3.82 0.62 1 227 GLU -0.12 -0.32 1 228 LEU 7.32 4.68 1 230 ALA 3.57 1.60 1 231 LEU 3.88 2.18 1 232 LEU 5.10 2.09 1 233 GLN 4.00 1.98 1 234 SER 2.55 1.63 1 235 ILE 3.34 1.41 1 236 ASP 2.15 0.92 1 241 ARG 1.06 0.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19209_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 2.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.12 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -2.94 _LACS_plot.Y_axis_chem_shift_offset 0.83 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 220 TYR -6.37 4.54 0 219 HIS 3.74 1.96 0 190 ILE 6.89 -6.62 0 10 ASN 7.02 -2.33 1 11 THR 3.44 -2.09 1 12 LEU 1.25 -0.67 1 13 ILE -6.18 3.12 1 14 ASP 0.29 -3.37 1 15 THR 7.84 -2.56 1 16 ALA 4.49 -1.92 1 18 ALA 3.12 -0.71 1 20 ARG 5.09 -2.64 1 21 ARG 5.78 -3.42 1 23 MET 4.10 -2.07 1 24 LEU 4.78 -2.20 1 25 GLU 3.39 -2.09 1 26 VAL 7.66 -2.96 1 27 ILE 7.29 -1.62 1 28 LYS 5.31 -2.28 1 29 LEU 4.14 -1.29 1 30 LEU 4.83 -2.29 1 31 GLN 4.14 -2.11 1 32 SER 2.58 -0.88 1 33 LYS 1.72 -0.60 1 34 TYR 0.36 -0.73 1 35 HIS 4.77 -2.65 1 36 TYR 0.51 -1.52 1 37 LYS 2.07 -3.27 1 38 GLU 5.55 -2.77 1 39 GLU 4.54 -3.23 1 40 ALA 2.82 0.07 1 41 GLU 3.84 -1.25 1 42 ILE 4.43 -1.85 1 43 ILE 5.65 -1.33 1 45 ASP 4.66 -1.65 1 46 LYS 3.22 -0.59 1 47 VAL 8.42 -3.81 1 48 GLN 5.16 -2.03 1 49 VAL 5.89 -2.40 1 50 LYS 5.79 -2.71 1 51 LEU 2.79 -0.80 1 52 SER 2.32 -0.85 1 53 LYS 0.61 -1.63 1 56 PHE -2.22 0.03 1 59 TYR 3.56 -3.95 1 60 ASN 1.21 -1.52 1 61 THR 0.27 -0.93 1 63 ILE 1.70 -1.79 1 64 THR 6.19 -1.83 1 70 HIS 0.58 1.91 1 71 TRP 3.88 -1.24 1 72 GLU 2.73 0.57 1 73 GLU 2.36 -0.86 1 74 ALA 1.44 0.92 1 75 ILE 5.72 -1.03 1 76 GLN 5.38 -1.76 1 77 GLU 1.86 -0.46 1 78 THR 4.30 -1.07 1 79 LYS 0.56 -2.69 1 82 ALA -0.97 -0.51 1 83 ALA 1.68 -1.78 1 84 ASN -1.27 -1.37 1 85 ARG 4.40 -2.68 1 86 LYS 4.88 -2.57 1 87 LEU 2.38 -1.21 1 88 ALA 4.43 -1.49 1 89 GLU 3.62 -0.95 1 90 GLU 3.66 -1.01 1 92 TYR 4.49 -1.43 1 93 PHE 6.23 -2.92 1 94 LEU 4.10 -1.97 1 95 TRP 6.88 -2.02 1 96 LYS 3.79 -0.87 1 97 SER 4.44 -2.07 1 98 THR 6.79 -1.88 1 99 ARG 4.74 -2.17 1 100 LEU 4.43 -2.12 1 101 GLN 3.25 -1.71 1 102 HIS -0.19 1.32 1 103 MET 2.34 -2.51 1 104 THR -3.68 1.04 1 105 LEU -1.45 -0.22 1 106 ALA -0.82 -0.46 1 107 GLU 4.38 -1.65 1 108 ASP 4.43 -2.97 1 109 VAL 6.10 -2.39 1 110 LYS 5.52 -1.64 1 111 ALA 4.19 -2.15 1 112 MET 6.16 -2.84 1 113 LEU 4.70 -2.29 1 114 THR 6.68 -1.68 1 115 GLU 3.18 -1.57 1 116 LEU 3.15 -0.79 1 117 ARG 1.02 -0.98 1 118 LYS 3.08 -1.14 1 119 GLU -2.88 2.53 1 120 VAL -5.10 1.70 1 122 LEU -5.70 3.52 1 123 LEU -4.00 2.34 1 124 LEU -2.46 0.07 1 125 LEU -1.63 -0.74 1 126 THR -4.21 -0.48 1 127 ASN -1.07 0.00 1 129 ASP 0.11 -0.24 1 130 ARG 3.80 -0.71 1 131 GLN 4.69 -1.62 1 132 THR 5.96 -2.81 1 133 GLN 2.80 -0.60 1 134 ARG 6.21 -3.40 1 135 GLU 3.46 -1.34 1 136 LYS 3.18 0.03 1 137 ILE 4.77 -0.98 1 138 GLU 3.52 -1.30 1 139 ALA 3.47 -1.13 1 141 ALA 3.35 -3.42 1 143 GLN 6.89 -2.51 1 144 SER 3.55 -1.87 1 145 TYR 1.82 -0.84 1 146 PHE -3.02 2.68 1 147 ASP 2.68 0.19 1 148 ALA -3.65 2.64 1 149 VAL -2.10 0.90 1 150 VAL -1.60 0.67 1 151 VAL -3.06 -0.01 1 154 GLU 0.03 -1.04 1 155 GLN -3.70 -0.06 1 156 ARG 4.54 -1.68 1 157 GLU -6.41 3.63 1 158 GLU -3.75 -0.02 1 159 LYS 5.15 -2.34 1 161 ALA 1.31 -0.81 1 164 ILE 5.10 -2.14 1 165 PHE 6.27 -1.58 1 166 TYR 4.55 -3.73 1 167 TYR 4.96 -1.62 1 170 ASN 3.84 -1.28 1 171 LEU 3.41 -1.26 1 172 LEU -2.40 1.06 1 174 VAL -4.83 0.56 1 175 GLN -0.20 -1.07 1 180 VAL -4.85 1.79 1 181 MET -4.41 2.04 1 182 VAL -2.27 -0.54 1 184 ASP -0.95 0.47 1 185 THR 2.04 -2.04 1 186 LEU 4.17 -1.94 1 187 GLU 4.52 -1.82 1 188 THR 0.21 -2.26 1 189 ASP 3.38 1.02 1 191 GLN 3.19 -1.57 1 194 LEU 4.72 -2.64 1 195 ASN 3.30 -1.94 1 196 ALA -1.79 -0.06 1 198 LEU 3.00 -3.95 1 199 LYS 4.82 -2.37 1 200 ALA -4.90 2.42 1 201 THR -4.67 1.74 1 202 VAL -1.91 -0.30 1 203 TRP -4.89 0.75 1 204 ILE 1.28 -3.59 1 205 ASN -1.02 -3.16 1 206 LYS 3.32 -1.21 1 207 ASN -0.06 -0.67 1 209 ILE 0.81 -1.02 1 210 VAL 0.74 -1.21 1 212 LEU -0.07 -0.91 1 214 SER 0.68 -1.54 1 215 SER 3.67 -1.93 1 217 VAL -0.92 -0.68 1 221 MET -4.47 3.18 1 222 VAL -4.99 1.16 1 223 SER 0.81 -0.43 1 224 SER -3.57 0.84 1 225 VAL 3.70 -2.09 1 226 LEU 3.82 -3.20 1 227 GLU -0.12 -0.20 1 228 LEU 7.32 -2.64 1 230 ALA 3.57 -1.97 1 231 LEU 3.88 -1.70 1 232 LEU 5.10 -3.01 1 233 GLN 4.00 -2.02 1 234 SER 2.55 -0.92 1 235 ILE 3.34 -1.93 1 236 ASP 2.15 -1.23 1 241 ARG 1.06 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19209_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -2.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 3.12 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 228 LEU 7.32 -1.10 0 123 LEU -4.00 -5.10 0 103 MET 2.34 -3.70 0 10 ASN 7.02 -1.50 0 70 HIS 0.58 4.70 0 124 LEU -2.46 -5.10 0 241 ARG 1.06 5.00 0 11 THR 3.44 0.60 1 12 LEU 1.25 -1.70 1 13 ILE -6.18 -0.50 1 14 ASP 0.29 -0.30 1 15 THR 7.84 2.90 1 16 ALA 4.49 3.30 1 18 ALA 3.12 2.10 1 20 ARG 5.09 2.50 1 21 ARG 5.78 3.40 1 23 MET 4.10 2.00 1 24 LEU 4.78 3.00 1 25 GLU 3.39 2.70 1 26 VAL 7.66 1.50 1 27 ILE 7.29 1.10 1 28 LYS 5.31 3.10 1 29 LEU 4.14 1.30 1 30 LEU 4.83 2.50 1 31 GLN 4.14 2.40 1 32 SER 2.58 0.30 1 33 LYS 1.72 0.50 1 34 TYR 0.36 -0.80 1 35 HIS 4.77 1.60 1 36 TYR 0.51 0.30 1 37 LYS 2.07 2.00 1 38 GLU 5.55 0.90 1 39 GLU 4.54 1.30 1 40 ALA 2.82 0.60 1 41 GLU 3.84 1.70 1 42 ILE 4.43 2.30 1 43 ILE 5.65 0.80 1 45 ASP 4.66 2.70 1 46 LYS 3.22 3.70 1 47 VAL 8.42 0.40 1 48 GLN 5.16 2.90 1 49 VAL 5.89 3.20 1 50 LYS 5.79 2.90 1 51 LEU 2.79 1.70 1 52 SER 2.32 -0.10 1 53 LYS 0.61 0.00 1 56 PHE -2.22 -1.60 1 59 TYR 3.56 0.30 1 60 ASN 1.21 -0.40 1 63 ILE 1.70 0.30 1 64 THR 6.19 1.80 1 71 TRP 3.88 1.30 1 72 GLU 2.73 2.90 1 73 GLU 2.36 1.50 1 74 ALA 1.44 2.90 1 75 ILE 5.72 1.40 1 76 GLN 5.38 3.60 1 77 GLU 1.86 1.30 1 78 THR 4.30 0.60 1 79 LYS 0.56 1.40 1 82 ALA -0.97 0.40 1 83 ALA 1.68 -0.30 1 84 ASN -1.27 -0.90 1 85 ARG 4.40 1.50 1 86 LYS 4.88 3.30 1 87 LEU 2.38 0.80 1 88 ALA 4.43 1.00 1 89 GLU 3.62 1.00 1 90 GLU 3.66 3.40 1 92 TYR 4.49 1.20 1 93 PHE 6.23 3.20 1 94 LEU 4.10 1.60 1 95 TRP 6.88 0.80 1 96 LYS 3.79 1.40 1 97 SER 4.44 3.30 1 98 THR 6.79 1.50 1 99 ARG 4.74 1.70 1 100 LEU 4.43 1.90 1 101 GLN 3.25 0.40 1 102 HIS -0.19 0.40 1 104 THR -3.68 -0.90 1 105 LEU -1.45 -1.10 1 106 ALA -0.82 1.10 1 107 GLU 4.38 2.70 1 108 ASP 4.43 2.90 1 109 VAL 6.10 1.00 1 110 LYS 5.52 2.60 1 111 ALA 4.19 1.90 1 112 MET 6.16 2.40 1 113 LEU 4.70 3.10 1 114 THR 6.68 1.50 1 115 GLU 3.18 3.80 1 116 LEU 3.15 1.20 1 117 ARG 1.02 0.30 1 118 LYS 3.08 1.30 1 119 GLU -2.88 -0.80 1 120 VAL -5.10 -2.00 1 122 LEU -5.70 -1.30 1 125 LEU -1.63 -3.70 1 126 THR -4.21 -1.40 1 127 ASN -1.07 0.60 1 129 ASP 0.11 -0.50 1 130 ARG 3.80 0.10 1 131 GLN 4.69 2.50 1 132 THR 5.96 2.90 1 133 GLN 2.80 3.00 1 134 ARG 6.21 3.30 1 135 GLU 3.46 3.80 1 136 LYS 3.18 2.00 1 137 ILE 4.77 2.10 1 138 GLU 3.52 2.70 1 139 ALA 3.47 1.30 1 141 ALA 3.35 0.60 1 143 GLN 6.89 1.50 1 144 SER 3.55 -0.20 1 145 TYR 1.82 -2.00 1 146 PHE -3.02 -1.00 1 147 ASP 2.68 -0.10 1 148 ALA -3.65 -3.30 1 149 VAL -2.10 -2.60 1 150 VAL -1.60 -3.60 1 151 VAL -3.06 1.80 1 154 GLU 0.03 -0.60 1 155 GLN -3.70 0.80 1 156 ARG 4.54 -0.60 1 157 GLU -6.41 -2.80 1 158 GLU -3.75 -0.90 1 159 LYS 5.15 2.00 1 161 ALA 1.31 1.30 1 164 ILE 5.10 0.60 1 165 PHE 6.27 2.70 1 166 TYR 4.55 2.70 1 167 TYR 4.96 1.80 1 170 ASN 3.84 2.90 1 171 LEU 3.41 1.50 1 172 LEU -2.40 -0.70 1 174 VAL -4.83 -2.00 1 175 GLN -0.20 1.60 1 180 VAL -4.85 -2.70 1 181 MET -4.41 -3.80 1 182 VAL -2.27 -2.50 1 184 ASP -0.95 1.90 1 185 THR 2.04 1.00 1 186 LEU 4.17 1.40 1 187 GLU 4.52 -0.70 1 188 THR 0.21 0.40 1 189 ASP 3.38 0.30 1 190 ILE 6.89 1.20 1 191 GLN 3.19 1.50 1 194 LEU 4.72 2.90 1 195 ASN 3.30 1.80 1 196 ALA -1.79 -1.30 1 198 LEU 3.00 -0.70 1 199 LYS 4.82 -0.10 1 200 ALA -4.90 -3.50 1 201 THR -4.67 -1.80 1 202 VAL -1.91 -3.20 1 203 TRP -4.89 -1.20 1 204 ILE 1.28 -3.00 1 205 ASN -1.02 0.50 1 206 LYS 3.32 1.30 1 207 ASN -0.06 0.40 1 209 ILE 0.81 0.20 1 210 VAL 0.74 -0.30 1 212 LEU -0.07 2.10 1 214 SER 0.68 0.40 1 215 SER 3.67 -2.10 1 217 VAL -0.92 -0.80 1 219 HIS 3.74 1.70 1 220 TYR -6.37 -2.50 1 221 MET -4.47 -1.70 1 222 VAL -4.99 -1.60 1 223 SER 0.81 -1.00 1 224 SER -3.57 0.60 1 225 VAL 3.70 -0.50 1 226 LEU 3.82 1.00 1 227 GLU -0.12 0.40 1 230 ALA 3.57 2.80 1 231 LEU 3.88 2.30 1 232 LEU 5.10 1.60 1 233 GLN 4.00 2.20 1 234 SER 2.55 1.10 1 235 ILE 3.34 -0.10 1 236 ASP 2.15 -0.20 1 stop_ save_