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 bmr26746_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 -3.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 8.07 _LACS_plot.Line_2_terminator_val_y_2 5.50 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 207 ALA -2.62 4.41 0 10 LEU -1.01 -1.28 1 11 LEU -8.04 -3.12 1 13 ALA -0.13 -0.76 1 15 GLU 1.88 0.53 1 16 SER 2.91 2.52 1 18 LYS 8.07 4.02 1 21 ILE 7.22 2.60 1 22 VAL 7.66 5.19 1 23 LYS 3.24 3.88 1 24 GLN 4.61 1.94 1 25 MET 1.87 0.90 1 26 LYS 4.21 2.60 1 27 ILE 5.29 4.24 1 28 ILE 2.79 3.18 1 29 HIS -1.17 1.44 1 30 GLU -1.25 -1.10 1 31 ALA 3.94 2.44 1 33 TYR 1.30 1.12 1 34 SER -2.13 -1.02 1 35 GLU 4.84 4.36 1 36 GLU 3.96 2.86 1 37 GLU 2.43 2.64 1 39 LYS 5.79 4.49 1 40 GLN 3.81 1.77 1 41 TYR 2.03 1.73 1 42 LYS 6.87 5.26 1 43 ALA 3.62 2.37 1 44 VAL 4.28 2.87 1 45 VAL 5.40 3.70 1 46 TYR 3.85 0.23 1 47 SER 5.26 3.68 1 48 ASN 3.11 2.96 1 55 ALA 3.70 2.20 1 56 ILE 1.87 -0.03 1 57 ILE -0.90 -1.14 1 58 ARG -0.30 3.60 1 59 ALA 4.75 1.81 1 60 MET 5.50 4.84 1 62 ARG 3.45 2.35 1 63 LEU 1.91 0.20 1 64 LYS 5.94 0.39 1 65 ILE -1.97 -0.64 1 66 ASP -2.35 -1.20 1 67 PHE 1.73 1.88 1 69 ASP -4.05 -1.77 1 70 SER 4.57 3.18 1 71 ALA 3.08 1.89 1 72 ARG 0.63 0.84 1 73 ALA 4.83 2.76 1 74 ASP 3.54 2.94 1 75 ASP 4.34 3.12 1 76 ALA 3.85 2.53 1 77 ARG 5.02 3.61 1 78 GLN 3.41 2.43 1 79 LEU 5.57 3.23 1 80 PHE 5.12 3.42 1 81 VAL 4.96 3.61 1 82 LEU 1.54 1.64 1 83 ALA 2.25 1.81 1 85 ALA 0.06 -0.38 1 86 ALA 0.76 0.26 1 87 GLU 0.34 0.24 1 88 GLU -0.19 -0.10 1 90 PHE -2.46 -1.18 1 91 MET -0.64 -1.99 1 92 THR -3.48 -1.92 1 93 ALA 4.37 2.36 1 94 GLU 3.63 2.65 1 95 LEU 4.47 2.20 1 96 ALA 4.58 2.83 1 98 VAL 5.35 3.95 1 103 TRP -0.19 0.57 1 104 LYS 0.27 -0.59 1 105 ASP -2.20 1.10 1 108 VAL 5.41 3.94 1 109 GLN 4.07 2.40 1 110 ALA 4.80 2.48 1 112 PHE 4.72 3.56 1 113 ASN 2.56 2.10 1 114 ARG 1.13 -0.10 1 115 SER 4.32 3.05 1 116 ARG 4.87 1.70 1 117 GLU 0.69 0.40 1 118 TYR 1.44 -1.74 1 119 GLN 1.83 0.33 1 129 ASN 2.78 1.50 1 130 ASP -1.18 -2.03 1 131 LEU 2.88 2.42 1 132 ASP 4.74 3.27 1 133 ARG 3.12 2.77 1 134 ILE 2.53 1.17 1 135 ALA 0.01 -0.74 1 136 GLN 1.57 0.63 1 138 ASN 1.46 3.89 1 142 THR -3.46 -2.03 1 143 GLN 5.56 4.46 1 144 GLN 5.06 2.52 1 145 ASP 4.24 3.33 1 146 VAL 7.02 4.30 1 147 LEU 3.16 2.51 1 148 ARG 0.49 -0.80 1 149 THR -1.87 1.00 1 150 ARG -1.70 -0.60 1 151 VAL -2.09 -0.43 1 152 LYS 4.27 2.70 1 153 THR -2.47 -2.10 1 154 THR -1.30 -0.47 1 156 ILE -1.49 -0.71 1 157 VAL -3.80 -2.09 1 158 GLU -1.54 -0.48 1 159 THR -5.10 -1.50 1 160 HIS -0.21 -0.75 1 161 PHE -1.81 -1.00 1 162 THR -2.21 -0.68 1 163 PHE 6.01 1.77 1 164 LYS 3.05 1.58 1 165 ASP -1.70 -1.60 1 166 LEU -0.70 -0.78 1 167 HIS -0.08 0.26 1 168 PHE -0.87 -1.48 1 169 LYS -4.02 -1.36 1 170 MET -1.82 -0.29 1 171 PHE -4.39 -1.67 1 172 ASP -6.66 -4.19 1 173 VAL 1.20 0.72 1 176 GLN 6.92 5.88 1 177 ARG 4.58 2.81 1 178 SER -0.74 -0.34 1 179 GLU 4.64 2.10 1 180 ARG 4.14 1.84 1 181 LYS 1.55 0.63 1 182 LYS 2.88 1.89 1 183 TRP 2.29 0.42 1 184 ILE 1.77 2.38 1 185 HIS 2.06 -0.98 1 187 PHE 1.25 0.65 1 188 GLU 2.50 1.34 1 190 VAL 1.22 1.47 1 191 ALA -3.50 -1.88 1 192 ALA -5.44 -3.05 1 193 ILE 0.34 -1.02 1 194 ILE -2.48 -1.95 1 195 PHE -4.72 -1.81 1 197 VAL -1.43 -2.50 1 198 ALA 3.57 2.92 1 199 LEU 2.57 0.80 1 200 SER 1.08 0.67 1 201 ASP 4.37 2.32 1 202 TYR -1.96 -3.18 1 203 ASP -3.19 -1.96 1 204 LEU -4.20 -3.10 1 205 VAL 4.49 1.28 1 206 LEU 3.88 2.44 1 208 GLU 0.98 0.19 1 209 ASP 1.86 0.82 1 210 GLU -0.05 -0.46 1 211 GLU -2.03 -2.19 1 212 MET 0.32 1.30 1 213 ASN 5.56 4.90 1 214 ARG 2.64 1.73 1 215 MET 2.64 3.88 1 216 HIS 4.58 2.92 1 217 GLU 2.90 2.13 1 221 LEU 5.79 4.25 1 222 PHE 2.32 2.85 1 223 ASP 3.05 2.53 1 224 SER 2.50 -0.05 1 225 ILE -0.40 -0.17 1 227 ASN 0.58 0.87 1 228 ASN 4.58 2.47 1 229 LYS 3.98 2.11 1 230 TRP -1.35 -3.01 1 231 PHE 6.12 5.11 1 232 THR 0.05 0.02 1 233 ASP 0.08 1.26 1 234 THR 3.13 2.30 1 235 SER 2.03 -0.59 1 236 ILE -1.38 -2.49 1 237 ILE -3.88 -2.15 1 238 LEU -2.43 -5.13 1 239 PHE 3.30 -1.40 1 240 LEU -3.42 -0.82 1 241 ASN 5.19 1.33 1 242 LYS 6.02 3.35 1 243 LYS 3.41 1.50 1 244 ASP 2.87 1.35 1 245 LEU 2.11 3.51 1 246 PHE 1.39 1.29 1 248 GLU 7.90 3.54 1 249 LYS 0.25 -1.74 1 250 ILE 2.03 1.30 1 251 LYS -1.67 0.03 1 252 LYS -2.66 -2.86 1 253 SER 2.50 1.10 1 255 LEU 1.21 0.33 1 256 THR 3.73 3.18 1 257 ILE -2.61 -2.54 1 259 TYR 4.96 3.54 1 260 GLN 1.01 -0.65 1 261 GLU 2.76 1.46 1 262 TYR -1.62 -1.87 1 263 ALA -1.00 -0.58 1 265 SER 1.53 -0.19 1 266 ASN -4.96 -3.09 1 267 THR 5.08 4.47 1 268 TYR 5.39 3.91 1 269 GLU 3.48 2.94 1 270 GLU 2.44 2.50 1 271 ALA 5.32 3.00 1 272 ALA 3.45 1.95 1 273 ALA -2.35 -2.71 1 274 TYR 4.91 3.80 1 275 ILE 4.97 2.99 1 276 GLN 4.77 1.85 1 278 GLN 4.83 4.42 1 279 PHE 4.75 3.52 1 280 GLU 2.54 1.57 1 281 ASP 2.04 0.52 1 282 LEU 0.28 -0.50 1 283 ASN 2.60 0.86 1 284 LYS 0.46 -1.58 1 285 ARG 3.95 2.84 1 286 LYS 2.62 1.33 1 287 ASP -0.54 0.02 1 288 THR -0.67 -0.53 1 289 LYS -1.90 -1.37 1 290 GLU -1.80 -2.16 1 291 ILE 0.06 -0.80 1 292 TYR 2.05 0.85 1 293 THR -6.57 0.11 1 294 HIS -0.09 -0.75 1 295 PHE -4.32 -1.32 1 296 THR 3.42 2.04 1 298 ALA 3.82 0.18 1 299 THR -1.95 -1.92 1 300 ASP 5.76 5.31 1 301 THR 5.32 3.02 1 302 LYS 2.69 3.98 1 303 ASN 7.26 4.60 1 304 VAL 5.93 4.20 1 305 GLN 3.95 3.10 1 306 PHE 5.82 3.47 1 307 VAL 6.66 4.87 1 308 PHE 4.25 4.15 1 309 ASP 3.75 2.31 1 310 ALA 5.69 3.72 1 311 VAL 2.32 6.19 1 312 THR 4.67 3.57 1 313 ASP 6.46 3.99 1 314 VAL 4.66 3.36 1 315 ILE 5.52 4.41 1 316 ILE 3.52 2.54 1 317 LYS 1.33 1.49 1 318 ASN 0.36 1.71 1 319 ASN 1.55 0.09 1 320 LEU 1.99 0.88 1 321 LYS 0.79 0.38 1 322 ASP 0.56 -0.09 1 325 LEU 0.71 0.99 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26746_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 4.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 8.07 _LACS_plot.Line_2_terminator_val_y_2 -2.57 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 207 ALA -2.62 7.03 0 10 LEU -1.01 -0.27 1 11 LEU -8.04 4.92 1 13 ALA -0.13 -0.63 1 15 GLU 1.88 -1.35 1 16 SER 2.91 -0.39 1 18 LYS 8.07 -4.05 1 21 ILE 7.22 -4.62 1 22 VAL 7.66 -2.47 1 23 LYS 3.24 0.64 1 24 GLN 4.61 -2.67 1 25 MET 1.87 -0.97 1 26 LYS 4.21 -1.61 1 27 ILE 5.29 -1.05 1 28 ILE 2.79 0.39 1 29 HIS -1.17 2.61 1 30 GLU -1.25 0.15 1 31 ALA 3.94 -1.50 1 33 TYR 1.30 -0.18 1 34 SER -2.13 1.11 1 35 GLU 4.84 -0.48 1 36 GLU 3.96 -1.10 1 37 GLU 2.43 0.21 1 39 LYS 5.79 -1.30 1 40 GLN 3.81 -2.04 1 41 TYR 2.03 -0.30 1 42 LYS 6.87 -1.61 1 43 ALA 3.62 -1.25 1 44 VAL 4.28 -1.41 1 45 VAL 5.40 -1.70 1 46 TYR 3.85 -3.62 1 47 SER 5.26 -1.58 1 48 ASN 3.11 -0.15 1 55 ALA 3.70 -1.50 1 56 ILE 1.87 -1.90 1 57 ILE -0.90 -0.24 1 58 ARG -0.30 3.90 1 59 ALA 4.75 -2.94 1 60 MET 5.50 -0.66 1 62 ARG 3.45 -1.10 1 63 LEU 1.91 -1.71 1 64 LYS 5.94 -5.55 1 65 ILE -1.97 1.33 1 66 ASP -2.35 1.15 1 67 PHE 1.73 0.15 1 69 ASP -4.05 2.28 1 70 SER 4.57 -1.39 1 71 ALA 3.08 -1.19 1 72 ARG 0.63 0.21 1 73 ALA 4.83 -2.07 1 74 ASP 3.54 -0.60 1 75 ASP 4.34 -1.22 1 76 ALA 3.85 -1.32 1 77 ARG 5.02 -1.41 1 78 GLN 3.41 -0.98 1 79 LEU 5.57 -2.34 1 80 PHE 5.12 -1.70 1 81 VAL 4.96 -1.35 1 82 LEU 1.54 0.10 1 83 ALA 2.25 -0.44 1 85 ALA 0.06 -0.44 1 86 ALA 0.76 -0.50 1 87 GLU 0.34 -0.10 1 88 GLU -0.19 0.09 1 90 PHE -2.46 1.28 1 91 MET -0.64 -1.35 1 92 THR -3.48 1.56 1 93 ALA 4.37 -2.01 1 94 GLU 3.63 -0.98 1 95 LEU 4.47 -2.27 1 96 ALA 4.58 -1.75 1 98 VAL 5.35 -1.40 1 103 TRP -0.19 0.76 1 104 LYS 0.27 -0.86 1 105 ASP -2.20 3.30 1 108 VAL 5.41 -1.47 1 109 GLN 4.07 -1.67 1 110 ALA 4.80 -2.32 1 112 PHE 4.72 -1.16 1 113 ASN 2.56 -0.46 1 114 ARG 1.13 -1.23 1 115 SER 4.32 -1.27 1 116 ARG 4.87 -3.17 1 117 GLU 0.69 -0.29 1 118 TYR 1.44 -3.18 1 119 GLN 1.83 -1.50 1 129 ASN 2.78 -1.28 1 130 ASP -1.18 -0.85 1 131 LEU 2.88 -0.46 1 132 ASP 4.74 -1.47 1 133 ARG 3.12 -0.35 1 134 ILE 2.53 -1.36 1 135 ALA 0.01 -0.75 1 136 GLN 1.57 -0.94 1 138 ASN 1.46 2.43 1 142 THR -3.46 1.43 1 143 GLN 5.56 -1.10 1 144 GLN 5.06 -2.54 1 145 ASP 4.24 -0.91 1 146 VAL 7.02 -2.72 1 147 LEU 3.16 -0.65 1 148 ARG 0.49 -1.29 1 149 THR -1.87 2.87 1 150 ARG -1.70 1.10 1 151 VAL -2.09 1.66 1 152 LYS 4.27 -1.57 1 153 THR -2.47 0.37 1 154 THR -1.30 0.83 1 156 ILE -1.49 0.78 1 157 VAL -3.80 1.71 1 158 GLU -1.54 1.06 1 159 THR -5.10 3.60 1 160 HIS -0.21 -0.54 1 161 PHE -1.81 0.81 1 162 THR -2.21 1.53 1 163 PHE 6.01 -4.24 1 164 LYS 3.05 -1.47 1 165 ASP -1.70 0.10 1 166 LEU -0.70 -0.08 1 167 HIS -0.08 0.34 1 168 PHE -0.87 -0.61 1 169 LYS -4.02 2.66 1 170 MET -1.82 1.53 1 171 PHE -4.39 2.72 1 172 ASP -6.66 2.47 1 173 VAL 1.20 -0.48 1 176 GLN 6.92 -1.04 1 177 ARG 4.58 -1.77 1 178 SER -0.74 0.40 1 179 GLU 4.64 -2.54 1 180 ARG 4.14 -2.30 1 181 LYS 1.55 -0.92 1 182 LYS 2.88 -0.99 1 183 TRP 2.29 -1.87 1 184 ILE 1.77 0.61 1 185 HIS 2.06 -3.04 1 187 PHE 1.25 -0.60 1 188 GLU 2.50 -1.16 1 190 VAL 1.22 0.25 1 191 ALA -3.50 1.62 1 192 ALA -5.44 2.39 1 193 ILE 0.34 -1.36 1 194 ILE -2.48 0.53 1 195 PHE -4.72 2.91 1 197 VAL -1.43 -1.07 1 198 ALA 3.57 -0.65 1 199 LEU 2.57 -1.77 1 200 SER 1.08 -0.41 1 201 ASP 4.37 -2.05 1 202 TYR -1.96 -1.22 1 203 ASP -3.19 1.23 1 204 LEU -4.20 1.10 1 205 VAL 4.49 -3.21 1 206 LEU 3.88 -1.44 1 208 GLU 0.98 -0.79 1 209 ASP 1.86 -1.04 1 210 GLU -0.05 -0.41 1 211 GLU -2.03 -0.16 1 212 MET 0.32 0.98 1 213 ASN 5.56 -0.66 1 214 ARG 2.64 -0.91 1 215 MET 2.64 1.24 1 216 HIS 4.58 -1.66 1 217 GLU 2.90 -0.77 1 221 LEU 5.79 -1.54 1 222 PHE 2.32 0.53 1 223 ASP 3.05 -0.52 1 224 SER 2.50 -2.55 1 225 ILE -0.40 0.23 1 227 ASN 0.58 0.29 1 228 ASN 4.58 -2.11 1 229 LYS 3.98 -1.87 1 230 TRP -1.35 -1.66 1 231 PHE 6.12 -1.01 1 232 THR 0.05 -0.03 1 233 ASP 0.08 1.18 1 234 THR 3.13 -0.83 1 235 SER 2.03 -2.62 1 236 ILE -1.38 -1.11 1 237 ILE -3.88 1.73 1 238 LEU -2.43 -2.70 1 239 PHE 3.30 -4.70 1 240 LEU -3.42 2.60 1 241 ASN 5.19 -3.86 1 242 LYS 6.02 -2.67 1 243 LYS 3.41 -1.91 1 244 ASP 2.87 -1.52 1 245 LEU 2.11 1.40 1 246 PHE 1.39 -0.10 1 248 GLU 7.90 -4.36 1 249 LYS 0.25 -1.99 1 250 ILE 2.03 -0.73 1 251 LYS -1.67 1.70 1 252 LYS -2.66 -0.20 1 253 SER 2.50 -1.40 1 255 LEU 1.21 -0.88 1 256 THR 3.73 -0.55 1 257 ILE -2.61 0.07 1 259 TYR 4.96 -1.42 1 260 GLN 1.01 -1.66 1 261 GLU 2.76 -1.30 1 262 TYR -1.62 -0.25 1 263 ALA -1.00 0.42 1 265 SER 1.53 -1.72 1 266 ASN -4.96 1.87 1 267 THR 5.08 -0.61 1 268 TYR 5.39 -1.48 1 269 GLU 3.48 -0.54 1 270 GLU 2.44 0.06 1 271 ALA 5.32 -2.32 1 272 ALA 3.45 -1.50 1 273 ALA -2.35 -0.36 1 274 TYR 4.91 -1.11 1 275 ILE 4.97 -1.98 1 276 GLN 4.77 -2.92 1 278 GLN 4.83 -0.41 1 279 PHE 4.75 -1.23 1 280 GLU 2.54 -0.97 1 281 ASP 2.04 -1.52 1 282 LEU 0.28 -0.78 1 283 ASN 2.60 -1.74 1 284 LYS 0.46 -2.04 1 285 ARG 3.95 -1.11 1 286 LYS 2.62 -1.29 1 287 ASP -0.54 0.56 1 288 THR -0.67 0.14 1 289 LYS -1.90 0.53 1 290 GLU -1.80 -0.36 1 291 ILE 0.06 -0.86 1 292 TYR 2.05 -1.20 1 293 THR -6.57 6.68 1 294 HIS -0.09 -0.66 1 295 PHE -4.32 3.00 1 296 THR 3.42 -1.38 1 298 ALA 3.82 -3.64 1 299 THR -1.95 0.03 1 300 ASP 5.76 -0.45 1 301 THR 5.32 -2.30 1 302 LYS 2.69 1.29 1 303 ASN 7.26 -2.66 1 304 VAL 5.93 -1.73 1 305 GLN 3.95 -0.85 1 306 PHE 5.82 -2.35 1 307 VAL 6.66 -1.79 1 308 PHE 4.25 -0.10 1 309 ASP 3.75 -1.44 1 310 ALA 5.69 -1.97 1 311 VAL 2.32 3.87 1 312 THR 4.67 -1.10 1 313 ASP 6.46 -2.47 1 314 VAL 4.66 -1.30 1 315 ILE 5.52 -1.11 1 316 ILE 3.52 -0.98 1 317 LYS 1.33 0.16 1 318 ASN 0.36 1.35 1 319 ASN 1.55 -1.46 1 320 LEU 1.99 -1.11 1 321 LYS 0.79 -0.41 1 322 ASP 0.56 -0.65 1 325 LEU 0.71 0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26746_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.68 _LACS_plot.Line_2_terminator_val_x_2 8.07 _LACS_plot.Line_2_terminator_val_y_2 2.52 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 GLN 1.83 8.50 0 10 LEU -1.01 -4.13 1 11 LEU -8.04 -2.58 1 13 ALA -0.13 0.22 1 15 GLU 1.88 -1.85 1 16 SER 2.91 -0.07 1 18 LYS 8.07 1.40 1 21 ILE 7.22 1.67 1 22 VAL 7.66 2.81 1 23 LYS 3.24 2.69 1 24 GLN 4.61 2.35 1 25 MET 1.87 2.13 1 26 LYS 4.21 2.73 1 27 ILE 5.29 0.58 1 28 ILE 2.79 1.37 1 29 HIS -1.17 2.45 1 30 GLU -1.25 -1.40 1 31 ALA 3.94 -0.22 1 33 TYR 1.30 0.71 1 34 SER -2.13 0.45 1 35 GLU 4.84 1.68 1 36 GLU 3.96 2.81 1 37 GLU 2.43 3.48 1 39 LYS 5.79 2.52 1 40 GLN 3.81 0.94 1 41 TYR 2.03 0.22 1 42 LYS 6.87 -0.64 1 43 ALA 3.62 1.93 1 44 VAL 4.28 1.39 1 45 VAL 5.40 4.03 1 46 TYR 3.85 1.98 1 47 SER 5.26 2.60 1 48 ASN 3.11 2.83 1 55 ALA 3.70 0.90 1 56 ILE 1.87 1.00 1 57 ILE -0.90 1.80 1 58 ARG -0.30 3.18 1 59 ALA 4.75 0.64 1 60 MET 5.50 2.49 1 62 ARG 3.45 1.61 1 63 LEU 1.91 -1.79 1 64 LYS 5.94 -1.62 1 65 ILE -1.97 -1.63 1 66 ASP -2.35 0.93 1 67 PHE 1.73 1.55 1 69 ASP -4.05 0.72 1 70 SER 4.57 2.21 1 71 ALA 3.08 2.03 1 72 ARG 0.63 1.07 1 73 ALA 4.83 2.92 1 74 ASP 3.54 2.22 1 75 ASP 4.34 0.66 1 76 ALA 3.85 -0.10 1 77 ARG 5.02 3.41 1 78 GLN 3.41 1.68 1 79 LEU 5.57 -0.44 1 80 PHE 5.12 3.46 1 81 VAL 4.96 2.62 1 82 LEU 1.54 2.08 1 83 ALA 2.25 1.33 1 85 ALA 0.06 -0.09 1 86 ALA 0.76 0.16 1 87 GLU 0.34 0.10 1 88 GLU -0.19 0.52 1 90 PHE -2.46 -3.65 1 91 MET -0.64 -2.16 1 92 THR -3.48 -0.21 1 93 ALA 4.37 3.39 1 94 GLU 3.63 2.35 1 95 LEU 4.47 -0.18 1 96 ALA 4.58 1.59 1 98 VAL 5.35 0.96 1 103 TRP -0.19 -0.36 1 104 LYS 0.27 0.12 1 105 ASP -2.20 0.53 1 108 VAL 5.41 3.40 1 109 GLN 4.07 2.20 1 110 ALA 4.80 2.75 1 112 PHE 4.72 1.18 1 113 ASN 2.56 0.68 1 114 ARG 1.13 -0.83 1 115 SER 4.32 -0.02 1 116 ARG 4.87 1.21 1 117 GLU 0.69 -1.60 1 118 TYR 1.44 -4.13 1 129 ASN 2.78 0.77 1 130 ASP -1.18 0.35 1 131 LEU 2.88 -0.30 1 132 ASP 4.74 1.50 1 133 ARG 3.12 2.00 1 134 ILE 2.53 -1.00 1 135 ALA 0.01 -0.80 1 136 GLN 1.57 1.70 1 138 ASN 1.46 3.50 1 142 THR -3.46 0.80 1 143 GLN 5.56 2.10 1 144 GLN 5.06 1.10 1 145 ASP 4.24 2.80 1 146 VAL 7.02 3.00 1 147 LEU 3.16 -0.30 1 148 ARG 0.49 2.00 1 149 THR -1.87 -0.80 1 150 ARG -1.70 -0.65 1 151 VAL -2.09 1.40 1 152 LYS 4.27 -0.85 1 153 THR -2.47 -0.80 1 154 THR -1.30 0.00 1 156 ILE -1.49 -1.90 1 157 VAL -3.80 -1.10 1 158 GLU -1.54 -2.50 1 159 THR -5.10 0.40 1 160 HIS -0.21 -3.20 1 161 PHE -1.81 -0.90 1 162 THR -2.21 -2.00 1 163 PHE 6.01 -1.90 1 164 LYS 3.05 -2.00 1 165 ASP -1.70 -2.50 1 166 LEU -0.70 -0.30 1 167 HIS -0.08 -0.40 1 168 PHE -0.87 -3.10 1 169 LYS -4.02 -2.10 1 170 MET -1.82 -3.70 1 171 PHE -4.39 -2.10 1 172 ASP -6.66 -0.50 1 173 VAL 1.20 1.75 1 176 GLN 6.92 3.00 1 177 ARG 4.58 1.30 1 178 SER -0.74 1.40 1 179 GLU 4.64 2.20 1 180 ARG 4.14 0.80 1 181 LYS 1.55 0.90 1 182 LYS 2.88 0.60 1 183 TRP 2.29 -0.10 1 184 ILE 1.77 2.70 1 185 HIS 2.06 -0.60 1 187 PHE 1.25 1.50 1 188 GLU 2.50 -0.20 1 190 VAL 1.22 -0.10 1 191 ALA -3.50 -3.65 1 192 ALA -5.44 3.40 1 193 ILE 0.34 -3.20 1 194 ILE -2.48 -0.80 1 195 PHE -4.72 -1.80 1 197 VAL -1.43 -0.60 1 198 ALA 3.57 -1.60 1 199 LEU 2.57 -1.50 1 200 SER 1.08 0.90 1 201 ASP 4.37 -2.50 1 202 TYR -1.96 -1.40 1 203 ASP -3.19 -0.30 1 204 LEU 4.49 0.10 1 206 LEU 3.88 0.30 1 207 ALA -2.62 -0.30 1 208 GLU 0.98 -1.60 1 209 ASP 1.86 -0.90 1 210 GLU -0.05 -0.20 1 211 GLU -2.03 -2.30 1 212 MET 0.32 1.70 1 213 ASN 5.56 3.00 1 214 ARG 2.64 2.40 1 215 MET 2.64 4.70 1 216 HIS 4.58 2.00 1 217 GLU 2.90 1.10 1 221 LEU 5.79 1.10 1 222 PHE 2.32 1.30 1 223 ASP 3.05 1.60 1 224 SER 2.50 0.30 1 225 ILE -0.40 -1.30 1 227 ASN 0.58 2.60 1 228 ASN 4.58 1.40 1 229 LYS 3.98 1.80 1 230 TRP -1.35 0.80 1 231 PHE 6.12 1.30 1 232 THR 0.05 -1.20 1 233 ASP 0.08 -0.30 1 234 THR 3.13 -2.40 1 235 SER 2.03 -3.70 1 236 ILE -1.38 -3.00 1 237 ILE -3.88 -2.90 1 238 LEU -2.43 -1.20 1 239 PHE 3.30 -3.80 1 240 LEU -3.42 0.00 1 241 ASN 5.19 2.00 1 242 LYS 6.02 0.10 1 243 LYS 3.41 2.10 1 244 ASP 2.87 2.90 1 245 LEU 2.11 -1.00 1 246 PHE 1.39 1.80 1 248 GLU 7.90 2.50 1 249 LYS 0.25 -2.10 1 250 ILE 2.03 1.00 1 251 LYS -1.67 -0.80 1 252 LYS -2.66 -0.20 1 253 SER 2.50 1.10 1 255 LEU 1.21 0.90 1 256 THR 3.73 -1.20 1 257 ILE -2.61 -0.10 1 259 TYR 4.96 0.80 1 260 GLN 1.01 0.20 1 261 GLU 2.76 -0.20 1 262 TYR -1.62 -0.60 1 263 ALA -1.00 1.60 1 265 SER 1.53 -1.20 1 266 ASN -4.96 -0.80 1 267 THR 5.08 0.10 1 268 TYR 5.39 3.00 1 269 GLU 3.48 2.30 1 270 GLU 2.44 1.30 1 271 ALA 5.32 1.50 1 272 ALA 3.45 2.30 1 273 ALA -2.35 2.40 1 274 TYR 4.91 1.10 1 275 ILE 4.97 3.80 1 276 GLN 4.77 2.70 1 278 GLN 4.83 2.60 1 279 PHE 4.75 3.60 1 280 GLU 2.54 0.80 1 281 ASP 2.04 -0.20 1 282 LEU 0.28 -0.10 1 283 ASN 2.60 0.40 1 284 LYS 0.46 -0.30 1 285 ARG 3.95 0.40 1 286 LYS 2.62 0.60 1 287 ASP -0.54 -0.80 1 288 THR -0.67 -2.40 1 289 LYS -1.90 -2.30 1 290 GLU -1.80 -0.90 1 291 ILE 0.06 -1.30 1 292 TYR 2.05 -0.10 1 293 THR -6.57 -0.80 1 294 HIS -0.09 0.80 1 295 PHE -4.32 -0.50 1 296 THR 3.42 -0.90 1 298 ALA 3.82 -2.00 1 299 THR -1.95 -1.60 1 300 ASP 5.76 0.30 1 301 THR 5.32 2.80 1 302 LYS 2.69 1.50 1 303 ASN 7.26 0.60 1 304 VAL 5.93 1.90 1 305 GLN 3.95 2.90 1 306 PHE 5.82 1.50 1 307 VAL 6.66 2.40 1 308 PHE 4.25 1.00 1 309 ASP 3.75 3.70 1 310 ALA 5.69 1.00 1 311 VAL 2.32 0.80 1 312 THR 4.67 2.40 1 313 ASP 6.46 1.50 1 314 VAL 4.66 2.50 1 315 ILE 5.52 1.80 1 316 ILE 3.52 1.70 1 317 LYS 1.33 1.30 1 318 ASN 0.36 -0.10 1 319 ASN 1.55 -0.20 1 320 LEU 1.99 0.20 1 321 LYS 0.79 0.10 1 322 ASP 0.56 -1.70 1 325 LEU 0.71 4.40 1 stop_ save_