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 bmr19143_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.02 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 6.80 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 PHE -3.00 -5.17 0 13 SER 0.83 0.65 1 15 HIS 0.10 0.92 1 16 ILE 0.11 0.51 1 17 ASP 0.36 0.57 1 19 ASP 0.62 0.73 1 20 ASP 0.68 0.56 1 21 LYS 0.94 0.45 1 22 HIS 1.04 0.95 1 23 MET 0.35 0.50 1 24 ALA -0.68 -0.09 1 25 ASP 0.79 1.03 1 26 TRP -2.56 -0.37 1 28 ARG -3.37 -0.84 1 29 GLN -2.22 -0.92 1 30 ILE -4.46 -2.58 1 31 THR -0.49 0.35 1 32 ASP -3.42 -1.57 1 33 SER 2.99 2.62 1 34 ARG -0.93 -0.98 1 36 THR 0.67 0.87 1 37 HIS -2.96 -0.94 1 38 THR 1.11 1.39 1 39 LEU -1.87 -1.11 1 40 GLU 2.01 2.82 1 41 SER -3.65 -2.03 1 42 GLN 0.36 0.03 1 44 GLN -3.18 0.08 1 45 ARG -2.86 -0.69 1 47 VAL -2.47 -1.23 1 48 SER -3.55 -2.60 1 49 THR 1.08 0.60 1 50 SER -3.86 -3.66 1 51 VAL 4.53 3.42 1 52 THR 6.26 5.59 1 53 LEU 2.15 2.36 1 56 SER 3.84 5.10 1 58 LEU 3.97 2.38 1 59 ALA 3.70 3.04 1 60 ILE 0.16 -0.71 1 61 ASP 3.82 1.65 1 62 ALA -0.30 -0.46 1 64 VAL -4.18 -3.78 1 65 ILE -0.77 -0.09 1 66 ALA -5.08 -1.20 1 67 SER -4.57 -3.07 1 69 ALA -5.56 -1.22 1 70 THR -4.73 -3.65 1 71 THR 1.19 1.88 1 73 ASN 3.35 1.47 1 74 ASN 8.39 7.56 1 75 ARG 3.73 3.94 1 76 VAL -1.78 -1.09 1 77 ALA -6.27 -1.11 1 78 ASP -2.49 -2.23 1 79 ASP 2.83 1.83 1 80 GLN -2.17 -0.73 1 83 LEU 4.37 0.45 1 84 ARG 4.06 4.69 1 85 GLN 5.76 2.50 1 86 TRP -0.05 -2.18 1 88 LYS 4.49 3.77 1 89 VAL 4.05 3.33 1 90 ALA 2.96 2.99 1 91 LYS 4.03 3.63 1 92 GLU 3.15 2.99 1 93 ARG 1.83 0.32 1 94 LYS 4.98 0.75 1 95 LEU 0.53 1.61 1 96 GLN -0.81 -0.13 1 97 ARG -1.33 -0.39 1 98 LEU -3.23 1.51 1 99 TYR -2.13 -2.58 1 100 ILE -0.99 0.19 1 102 GLU -0.31 0.28 1 104 SER -3.49 -2.96 1 105 ALA 3.46 2.57 1 106 GLU 4.58 3.67 1 107 ALA 2.03 2.15 1 108 VAL 6.19 4.72 1 109 ALA 4.24 3.04 1 110 ALA 2.44 1.80 1 111 GLN 0.41 -0.54 1 112 MET 4.70 2.60 1 114 ASP -0.94 -1.05 1 118 ILE -4.66 -0.85 1 119 SER -2.63 -1.15 1 120 ALA 0.37 1.80 1 121 THR -4.86 -2.35 1 124 ASP -1.47 -1.88 1 125 SER 0.06 0.45 1 126 ALA 0.90 -1.35 1 127 LEU 3.19 3.63 1 128 ALA 3.41 2.51 1 129 LEU -1.48 -1.17 1 130 TYR 5.85 6.52 1 131 ASP 5.28 3.84 1 132 GLN 3.31 3.23 1 133 LEU 4.23 2.81 1 134 SER 3.21 2.86 1 135 THR 1.56 1.43 1 136 ILE 2.77 2.84 1 137 ALA -1.25 -0.03 1 139 THR -1.91 -0.17 1 140 LEU -6.64 -2.36 1 141 ILE -1.64 -0.85 1 142 ILE -4.06 -3.17 1 143 ASN -2.53 -1.71 1 144 TYR -2.40 -2.08 1 145 ASP -1.00 1.02 1 146 ASP -0.63 -0.97 1 147 LYS -2.37 -2.13 1 148 SER -2.35 -1.18 1 149 TRP 4.33 2.39 1 150 GLN 8.81 5.96 1 151 SER 3.90 3.46 1 152 LEU 3.64 3.22 1 153 LEU 4.99 3.86 1 154 THR 6.65 5.49 1 155 GLN 4.79 4.01 1 156 LEU 3.13 2.44 1 158 GLU 2.72 2.52 1 160 THR -1.90 0.13 1 162 HIS 1.09 0.37 1 163 GLU 5.74 4.56 1 164 LYS 4.21 3.39 1 165 GLN 6.45 5.17 1 166 ALA 4.58 3.78 1 167 ALA 3.84 2.60 1 168 GLU 3.12 3.01 1 170 ILE 5.27 5.78 1 171 ALA 3.63 2.79 1 172 GLN 4.57 3.51 1 173 PHE 5.12 5.01 1 174 ASP 4.78 3.84 1 175 LYS 3.82 3.43 1 176 GLN 4.17 2.76 1 177 LEU 5.99 4.79 1 178 ALA 4.02 2.89 1 179 ALA 3.27 2.36 1 180 ALA 4.17 2.99 1 181 LYS 3.39 3.63 1 182 GLU 0.85 1.27 1 183 GLN -0.79 1.36 1 184 ILE 0.40 1.90 1 185 LYS -0.15 -1.65 1 186 LEU 1.79 1.14 1 189 GLN -3.92 -1.37 1 191 VAL -4.59 -2.46 1 192 THR -0.52 1.23 1 193 ALA -3.97 -1.93 1 194 ILE -6.69 -1.56 1 195 VAL -0.98 0.99 1 196 TYR -3.35 -0.90 1 197 THR 0.18 -1.06 1 198 ALA 3.63 3.01 1 199 ALA 2.60 1.85 1 200 ALA -2.29 -1.21 1 201 HIS 2.89 1.71 1 202 SER -4.14 -1.77 1 203 ALA -7.02 -1.61 1 204 ASN -2.76 -1.58 1 205 LEU -1.96 -0.18 1 206 TRP -0.96 -0.87 1 207 THR 1.58 0.32 1 209 GLU 0.82 0.68 1 210 SER -3.76 -0.24 1 211 ALA 3.48 2.91 1 212 GLN 8.02 5.71 1 214 GLN 3.74 3.45 1 215 MET 5.21 4.36 1 216 LEU 5.45 3.06 1 217 GLU 4.36 3.61 1 218 GLN 4.07 3.52 1 219 LEU -1.15 0.78 1 221 PHE 0.87 0.20 1 222 THR -1.57 -0.01 1 223 LEU 0.46 -0.34 1 224 ALA 0.41 -0.04 1 225 LYS -0.58 -0.60 1 226 LEU 0.30 0.32 1 228 ALA 2.01 1.62 1 230 LEU 0.29 0.52 1 231 ASN 0.51 0.55 1 232 ALA 0.37 0.61 1 233 SER 0.50 0.98 1 234 GLN 0.45 0.54 1 235 SER -0.10 0.61 1 236 GLN 1.03 0.91 1 238 LYS 0.07 0.29 1 239 ARG -0.53 0.13 1 240 HIS -0.02 0.74 1 241 ASP 1.85 1.30 1 242 ILE -6.88 -2.01 1 243 ILE -3.25 -0.76 1 244 GLN 0.36 0.76 1 245 LEU -4.01 -1.31 1 248 GLU 2.53 1.96 1 249 ASN -0.10 0.39 1 250 LEU 3.89 3.71 1 251 ALA 3.98 2.84 1 252 ALA 1.62 1.49 1 254 LEU 1.23 -2.08 1 255 ASN 1.62 0.32 1 257 GLU 1.42 1.28 1 258 SER -2.85 -0.29 1 259 LEU -5.31 -1.47 1 260 PHE -3.20 -1.24 1 261 LEU -0.16 -1.09 1 262 PHE 0.82 1.15 1 263 ALA 0.53 1.13 1 265 ASP -4.28 -2.54 1 266 GLN 3.83 2.92 1 267 LYS 4.85 3.19 1 268 ASP 3.33 3.78 1 269 ALA 4.75 3.14 1 270 ASP 4.61 3.37 1 271 ALA 3.34 2.54 1 272 ILE 5.87 2.78 1 273 TYR 4.23 3.20 1 274 ALA -0.95 -0.47 1 275 ASN -0.16 -0.27 1 277 LEU 2.21 1.53 1 278 LEU -0.46 -1.90 1 279 ALA 1.98 2.59 1 280 HIS -0.18 0.36 1 281 LEU 1.44 0.23 1 283 ALA 2.74 3.13 1 284 VAL 3.78 3.44 1 285 GLN 4.12 3.80 1 286 ASN 0.57 0.06 1 287 LYS 5.87 1.34 1 288 GLN -1.97 -2.73 1 289 VAL -0.31 -0.60 1 290 TYR -3.22 -1.07 1 291 ALA -1.51 -0.94 1 292 LEU -0.31 -0.22 1 294 THR 4.95 3.46 1 295 GLU 2.83 1.94 1 296 THR 1.15 0.52 1 297 PHE 3.96 4.00 1 298 ARG -3.40 -1.84 1 299 LEU -0.07 -0.80 1 300 ASP -4.45 -2.32 1 301 TYR 3.81 3.75 1 302 TYR 4.88 4.07 1 303 SER 3.01 2.39 1 304 ALA 4.56 3.50 1 305 MET 4.03 2.48 1 306 GLN 4.66 3.71 1 308 LEU 4.20 3.59 1 309 ASP 3.91 3.63 1 310 ARG 3.67 2.59 1 311 LEU 3.34 3.28 1 312 LYS 3.71 3.05 1 313 ALA 1.72 1.42 1 314 LEU 0.34 1.67 1 315 PHE -1.24 0.21 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19143_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.02 _LACS_plot.Line_1_terminator_val_y_1 4.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.99 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.72 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 -2.00 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 PHE -3.00 -2.17 0 13 SER 0.83 -0.18 1 15 HIS 0.10 0.82 1 16 ILE 0.11 0.40 1 17 ASP 0.36 0.21 1 19 ASP 0.62 0.11 1 20 ASP 0.68 -0.12 1 21 LYS 0.94 -0.49 1 22 HIS 1.04 -0.09 1 23 MET 0.35 0.15 1 24 ALA -0.68 0.59 1 25 ASP 0.79 0.24 1 26 TRP -2.56 2.19 1 28 ARG -3.37 2.53 1 29 GLN -2.22 1.30 1 30 ILE -4.46 1.88 1 31 THR -0.49 0.84 1 32 ASP -3.42 1.85 1 33 SER 2.99 -0.37 1 34 ARG -0.93 -0.05 1 36 THR 0.67 0.20 1 37 HIS -2.96 2.02 1 38 THR 1.11 0.28 1 39 LEU -1.87 0.76 1 40 GLU 2.01 0.81 1 41 SER -3.65 1.62 1 42 GLN 0.36 -0.33 1 44 GLN -3.18 3.26 1 45 ARG -2.86 2.17 1 47 VAL -2.47 1.24 1 48 SER -3.55 0.95 1 49 THR 1.08 -0.48 1 50 SER -3.86 0.20 1 51 VAL 4.53 -1.11 1 52 THR 6.26 -0.67 1 53 LEU 2.15 0.21 1 56 SER 3.84 1.26 1 58 LEU 3.97 -1.59 1 59 ALA 3.70 -0.66 1 60 ILE 0.16 -0.87 1 61 ASP 3.82 -2.17 1 62 ALA -0.30 -0.16 1 64 VAL -4.18 0.40 1 65 ILE -0.77 0.68 1 66 ALA -5.08 3.88 1 67 SER -4.57 1.50 1 69 ALA -5.56 4.34 1 70 THR -4.73 1.08 1 71 THR 1.19 0.69 1 73 ASN 3.35 -1.88 1 74 ASN 8.39 -0.83 1 75 ARG 3.73 0.21 1 76 VAL -1.78 0.69 1 77 ALA -6.27 5.16 1 78 ASP -2.49 0.26 1 79 ASP 2.83 -1.00 1 80 GLN -2.17 1.44 1 83 LEU 4.37 -3.92 1 84 ARG 4.06 0.63 1 85 GLN 5.76 -3.26 1 86 TRP -0.05 -2.13 1 88 LYS 4.49 -0.72 1 89 VAL 4.05 -0.72 1 90 ALA 2.96 0.03 1 91 LYS 4.03 -0.40 1 92 GLU 3.15 -0.16 1 93 ARG 1.83 -1.51 1 94 LYS 4.98 -4.23 1 95 LEU 0.53 1.08 1 96 GLN -0.81 0.68 1 97 ARG -1.33 0.94 1 98 LEU -3.23 4.74 1 99 TYR -2.13 -0.45 1 100 ILE -0.99 1.18 1 102 GLU -0.31 0.59 1 104 SER -3.49 0.53 1 105 ALA 3.46 -0.89 1 106 GLU 4.58 -0.91 1 107 ALA 2.03 0.12 1 108 VAL 6.19 -1.47 1 109 ALA 4.24 -1.20 1 110 ALA 2.44 -0.64 1 111 GLN 0.41 -0.95 1 112 MET 4.70 -2.10 1 114 ASP -0.94 -0.11 1 118 ILE -4.66 3.81 1 119 SER -2.63 1.48 1 120 ALA 0.37 1.43 1 121 THR -4.86 2.51 1 124 ASP -1.47 -0.41 1 125 SER 0.06 0.39 1 126 ALA 0.90 -2.25 1 127 LEU 3.19 0.44 1 128 ALA 3.41 -0.90 1 129 LEU -1.48 0.31 1 130 TYR 5.85 0.67 1 131 ASP 5.28 -1.44 1 132 GLN 3.31 -0.08 1 133 LEU 4.23 -1.42 1 134 SER 3.21 -0.35 1 135 THR 1.56 -0.13 1 136 ILE 2.77 0.07 1 137 ALA -1.25 1.22 1 139 THR -1.91 1.74 1 140 LEU -6.64 4.28 1 141 ILE -1.64 0.79 1 142 ILE -4.06 0.89 1 143 ASN -2.53 0.82 1 144 TYR -2.40 0.32 1 145 ASP -1.00 2.02 1 146 ASP -0.63 -0.34 1 147 LYS -2.37 0.24 1 148 SER -2.35 1.17 1 149 TRP 4.33 -1.94 1 150 GLN 8.81 -2.85 1 151 SER 3.90 -0.44 1 152 LEU 3.64 -0.42 1 153 LEU 4.99 -1.13 1 154 THR 6.65 -1.16 1 155 GLN 4.79 -0.78 1 156 LEU 3.13 -0.69 1 158 GLU 2.72 -0.20 1 160 THR -1.90 2.03 1 162 HIS 1.09 -0.72 1 163 GLU 5.74 -1.18 1 164 LYS 4.21 -0.82 1 165 GLN 6.45 -1.28 1 166 ALA 4.58 -0.80 1 167 ALA 3.84 -1.24 1 168 GLU 3.12 -0.11 1 170 ILE 5.27 0.51 1 171 ALA 3.63 -0.84 1 172 GLN 4.57 -1.06 1 173 PHE 5.12 -0.11 1 174 ASP 4.78 -0.94 1 175 LYS 3.82 -0.39 1 176 GLN 4.17 -1.41 1 177 LEU 5.99 -1.20 1 178 ALA 4.02 -1.13 1 179 ALA 3.27 -0.91 1 180 ALA 4.17 -1.18 1 181 LYS 3.39 0.24 1 182 GLU 0.85 0.42 1 183 GLN -0.79 2.15 1 184 ILE 0.40 1.50 1 185 LYS -0.15 -1.50 1 186 LEU 1.79 -0.65 1 189 GLN -3.92 2.55 1 191 VAL -4.59 2.13 1 192 THR -0.52 1.75 1 193 ALA -3.97 2.04 1 194 ILE -6.69 5.13 1 195 VAL -0.98 1.97 1 196 TYR -3.35 2.45 1 197 THR 0.18 -1.24 1 198 ALA 3.63 -0.62 1 199 ALA 2.60 -0.75 1 200 ALA -2.29 1.08 1 201 HIS 2.89 -1.18 1 202 SER -4.14 2.37 1 203 ALA -7.02 5.41 1 204 ASN -2.76 1.18 1 205 LEU -1.96 1.78 1 206 TRP -0.96 0.09 1 207 THR 1.58 -1.26 1 209 GLU 0.82 -0.14 1 210 SER -3.76 3.52 1 211 ALA 3.48 -0.57 1 212 GLN 8.02 -2.31 1 214 GLN 3.74 -0.29 1 215 MET 5.21 -0.85 1 216 LEU 5.45 -2.39 1 217 GLU 4.36 -0.75 1 218 GLN 4.07 -0.55 1 219 LEU -1.15 1.93 1 221 PHE 0.87 -0.67 1 222 THR -1.57 1.56 1 223 LEU 0.46 -0.80 1 224 ALA 0.41 -0.45 1 225 LYS -0.58 -0.02 1 226 LEU 0.30 0.02 1 228 ALA 2.01 -0.39 1 230 LEU 0.29 0.23 1 231 ASN 0.51 0.04 1 232 ALA 0.37 0.24 1 233 SER 0.50 0.48 1 234 GLN 0.45 0.09 1 235 SER -0.10 0.71 1 236 GLN 1.03 -0.12 1 238 LYS 0.07 0.22 1 239 ARG -0.53 0.66 1 240 HIS -0.02 0.76 1 241 ASP 1.85 -0.55 1 242 ILE -6.88 4.87 1 243 ILE -3.25 2.49 1 244 GLN 0.36 0.40 1 245 LEU -4.01 2.70 1 248 GLU 2.53 -0.57 1 249 ASN -0.10 0.49 1 250 LEU 3.89 -0.18 1 251 ALA 3.98 -1.14 1 252 ALA 1.62 -0.13 1 254 LEU 1.23 -3.31 1 255 ASN 1.62 -1.30 1 257 GLU 1.42 -0.14 1 258 SER -2.85 2.56 1 259 LEU -5.31 3.84 1 260 PHE -3.20 1.96 1 261 LEU -0.16 -0.93 1 262 PHE 0.82 0.33 1 263 ALA 0.53 0.60 1 265 ASP -4.28 1.74 1 266 GLN 3.83 -0.91 1 267 LYS 4.85 -1.66 1 268 ASP 3.33 0.45 1 269 ALA 4.75 -1.61 1 270 ASP 4.61 -1.24 1 271 ALA 3.34 -0.80 1 272 ILE 5.87 -3.09 1 273 TYR 4.23 -1.03 1 274 ALA -0.95 0.48 1 275 ASN -0.16 -0.11 1 277 LEU 2.21 -0.68 1 278 LEU -0.46 -1.44 1 279 ALA 1.98 0.61 1 280 HIS -0.18 0.54 1 281 LEU 1.44 -1.21 1 283 ALA 2.74 0.39 1 284 VAL 3.78 -0.34 1 285 GLN 4.12 -0.32 1 286 ASN 0.57 -0.51 1 287 LYS 5.87 -4.53 1 288 GLN -1.97 -0.76 1 289 VAL -0.31 -0.29 1 290 TYR -3.22 2.15 1 291 ALA -1.51 0.57 1 292 LEU -0.31 0.09 1 294 THR 4.95 -1.49 1 295 GLU 2.83 -0.89 1 296 THR 1.15 -0.63 1 297 PHE 3.96 0.04 1 298 ARG -3.40 1.56 1 299 LEU -0.07 -0.73 1 300 ASP -4.45 2.13 1 301 TYR 3.81 -0.06 1 302 TYR 4.88 -0.81 1 303 SER 3.01 -0.62 1 304 ALA 4.56 -1.06 1 305 MET 4.03 -1.55 1 306 GLN 4.66 -0.95 1 308 LEU 4.20 -0.61 1 309 ASP 3.91 -0.28 1 310 ARG 3.67 -1.08 1 311 LEU 3.34 -0.06 1 312 LYS 3.71 -0.66 1 313 ALA 1.72 -0.30 1 314 LEU 0.34 1.33 1 315 PHE -1.24 1.45 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19143_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.02 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 3.29 _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 160 THR -1.90 3.60 0 315 PHE -1.24 4.40 0 13 SER 0.83 0.50 1 15 HIS 0.10 0.60 1 16 ILE 0.11 -0.60 1 17 ASP 0.36 -0.20 1 19 ASP 0.62 0.10 1 20 ASP 0.68 0.30 1 21 LYS 0.94 0.20 1 22 HIS 1.04 0.80 1 23 MET 0.35 -0.50 1 24 ALA -0.68 -0.50 1 25 ASP 0.79 -1.90 1 26 TRP -2.56 -0.60 1 28 ARG -3.37 -2.60 1 29 GLN -2.22 -0.50 1 30 ILE -4.46 -0.70 1 31 THR -0.49 -0.30 1 32 ASP -3.42 1.10 1 33 SER 2.99 1.00 1 34 ARG -0.93 -0.20 1 36 THR 0.67 -0.90 1 37 HIS -2.96 -0.10 1 38 THR 1.11 -0.50 1 39 LEU -1.87 -0.70 1 40 GLU 2.01 -1.00 1 41 SER -3.65 -2.90 1 42 GLN 0.36 0.20 1 44 GLN -3.18 -0.60 1 45 ARG -2.86 -1.70 1 47 VAL -2.47 -1.60 1 48 SER -3.55 0.90 1 49 THR 1.08 -3.20 1 50 SER -3.86 0.00 1 51 VAL 4.53 -1.20 1 52 THR 6.26 5.00 1 53 LEU 2.15 1.10 1 56 SER 3.84 1.00 1 58 LEU 3.97 3.60 1 59 ALA 3.70 0.70 1 60 ILE 0.16 -3.70 1 61 ASP 3.82 -1.50 1 62 ALA -0.30 0.90 1 64 VAL -4.18 -1.50 1 65 ILE -0.77 0.70 1 66 ALA -5.08 -2.70 1 67 SER -4.57 1.90 1 69 ALA -5.56 0.10 1 70 THR -4.73 -3.30 1 71 THR 1.19 -0.70 1 73 ASN 3.35 -0.60 1 74 ASN 8.39 0.60 1 75 ARG 3.73 1.10 1 76 VAL -1.78 -0.30 1 77 ALA -6.27 -1.30 1 78 ASP -2.49 1.80 1 79 ASP 2.83 0.10 1 80 GLN -2.17 -0.30 1 82 PHE -3.00 -0.50 1 83 LEU 4.37 0.80 1 84 ARG 4.06 2.00 1 85 GLN 5.76 -1.30 1 86 TRP -0.05 -0.20 1 88 LYS 4.49 2.40 1 89 VAL 4.05 1.80 1 90 ALA 2.96 2.20 1 91 LYS 4.03 4.30 1 92 GLU 3.15 2.00 1 93 ARG 1.83 -1.30 1 94 LYS 4.98 -0.20 1 95 LEU 0.53 -0.40 1 96 GLN -0.81 -1.00 1 97 ARG -1.33 0.50 1 98 LEU -3.23 -2.20 1 99 TYR -2.13 -2.70 1 100 ILE -0.99 0.40 1 102 GLU -0.31 -1.20 1 104 SER -3.49 0.20 1 105 ALA 3.46 1.60 1 106 GLU 4.58 2.70 1 107 ALA 2.03 2.30 1 108 VAL 6.19 1.40 1 109 ALA 4.24 3.30 1 110 ALA 2.44 1.10 1 111 GLN 0.41 -1.10 1 112 MET 4.70 -1.30 1 114 ASP -0.94 -0.40 1 118 ILE -4.66 -2.00 1 119 SER -2.63 1.10 1 120 ALA 0.37 -0.90 1 121 THR -4.86 -1.70 1 124 ASP -1.47 0.60 1 125 SER 0.06 2.30 1 126 ALA 0.90 -1.10 1 127 LEU 3.19 1.30 1 128 ALA 3.41 1.10 1 129 LEU -1.48 -0.60 1 130 TYR 5.85 1.20 1 131 ASP 5.28 2.00 1 132 GLN 3.31 3.10 1 133 LEU 4.23 0.30 1 134 SER 3.21 0.90 1 135 THR 1.56 0.60 1 136 ILE 2.77 -0.60 1 137 ALA -1.25 -3.60 1 139 THR -1.91 -0.80 1 140 LEU -6.64 -2.70 1 141 ILE -1.64 -0.70 1 142 ILE -4.06 -2.00 1 143 ASN -2.53 -0.50 1 144 TYR -2.40 0.60 1 145 ASP -1.00 0.50 1 146 ASP -0.63 -1.10 1 147 LYS -2.37 -1.60 1 148 SER -2.35 1.10 1 149 TRP 4.33 3.20 1 150 GLN 8.81 2.10 1 151 SER 3.90 2.90 1 152 LEU 3.64 1.10 1 153 LEU 4.99 2.10 1 154 THR 6.65 2.50 1 155 GLN 4.79 3.20 1 156 LEU 3.13 3.30 1 158 GLU 2.72 1.20 1 162 HIS 1.09 -0.10 1 163 GLU 5.74 4.20 1 164 LYS 4.21 2.10 1 165 GLN 6.45 2.80 1 166 ALA 4.58 0.20 1 167 ALA 3.84 3.70 1 168 GLU 3.12 3.00 1 170 ILE 5.27 1.30 1 171 ALA 3.63 3.40 1 172 GLN 4.57 3.20 1 173 PHE 5.12 0.60 1 174 ASP 4.78 4.00 1 175 LYS 3.82 3.20 1 176 GLN 4.17 3.10 1 177 LEU 5.99 0.80 1 178 ALA 4.02 2.80 1 179 ALA 3.27 2.80 1 180 ALA 4.17 1.40 1 181 LYS 3.39 1.40 1 182 GLU 0.85 0.70 1 183 GLN -0.79 1.20 1 184 ILE 0.40 -1.20 1 185 LYS -0.15 -1.00 1 186 LEU 1.79 0.00 1 189 GLN -3.92 0.40 1 191 VAL -4.59 -2.00 1 192 THR -0.52 -2.40 1 193 ALA -3.97 -2.40 1 194 ILE -6.69 0.20 1 195 VAL -0.98 -0.10 1 196 TYR -3.35 -1.20 1 197 THR 0.18 -0.40 1 198 ALA 3.63 2.60 1 199 ALA 2.60 -0.10 1 200 ALA -2.29 -1.20 1 201 HIS 2.89 -1.20 1 202 SER -4.14 -3.10 1 203 ALA -7.02 -2.90 1 204 ASN -2.76 -1.90 1 205 LEU -1.96 -1.90 1 206 TRP -0.96 1.00 1 207 THR 1.58 2.90 1 209 GLU 0.82 0.50 1 210 SER -3.76 -0.70 1 211 ALA 3.48 2.80 1 212 GLN 8.02 1.10 1 214 GLN 3.74 3.00 1 215 MET 5.21 1.50 1 216 LEU 5.45 2.30 1 217 GLU 4.36 5.60 1 218 GLN 4.07 2.10 1 219 LEU -1.15 -2.40 1 221 PHE 0.87 -0.60 1 222 THR -1.57 -0.80 1 223 LEU 0.46 0.70 1 224 ALA 0.41 -0.40 1 225 LYS -0.58 0.20 1 226 LEU 0.30 -0.20 1 228 ALA 2.01 1.70 1 230 LEU 0.29 -0.70 1 231 ASN 0.51 0.10 1 232 ALA 0.37 0.30 1 233 SER 0.50 0.50 1 234 GLN 0.45 0.40 1 235 SER -0.10 0.30 1 236 GLN 1.03 0.70 1 238 LYS 0.07 0.00 1 240 HIS -0.02 0.70 1 241 ASP 1.85 -1.60 1 242 ILE -6.88 -0.80 1 243 ILE -3.25 -1.10 1 244 GLN 0.36 -0.70 1 245 LEU -4.01 -1.40 1 248 GLU 2.53 0.70 1 249 ASN -0.10 0.30 1 250 LEU 3.89 -0.50 1 251 ALA 3.98 1.70 1 252 ALA 1.62 1.30 1 254 LEU 1.23 -2.30 1 255 ASN 1.62 1.40 1 257 GLU 1.42 0.30 1 258 SER -2.85 -2.10 1 259 LEU -5.31 -3.70 1 260 PHE -3.20 -1.60 1 261 LEU -0.16 0.00 1 262 PHE 0.82 -0.30 1 263 ALA 0.53 -2.50 1 265 ASP -4.28 1.00 1 266 GLN 3.83 1.60 1 267 LYS 4.85 3.80 1 268 ASP 3.33 1.10 1 269 ALA 4.75 1.20 1 270 ASP 4.61 3.00 1 271 ALA 3.34 3.00 1 272 ILE 5.87 1.90 1 273 TYR 4.23 1.10 1 274 ALA -0.95 -0.60 1 275 ASN -0.16 2.10 1 277 LEU 2.21 0.40 1 278 LEU -0.46 -1.00 1 279 ALA 1.98 -0.10 1 280 HIS -0.18 1.40 1 281 LEU 1.44 0.60 1 283 ALA 2.74 1.20 1 284 VAL 3.78 3.70 1 285 GLN 4.12 2.00 1 286 ASN 0.57 -0.70 1 287 LYS 5.87 -0.50 1 288 GLN -1.97 -2.30 1 289 VAL -0.31 -1.20 1 290 TYR -3.22 -1.80 1 291 ALA -1.51 0.50 1 292 LEU -0.31 -2.10 1 294 THR 4.95 1.70 1 295 GLU 2.83 1.10 1 296 THR 1.15 -1.10 1 297 PHE 3.96 -1.30 1 298 ARG -3.40 -0.30 1 299 LEU -0.07 -2.80 1 300 ASP -4.45 -2.90 1 301 TYR 3.81 -0.60 1 302 TYR 4.88 4.90 1 303 SER 3.01 1.70 1 304 ALA 4.56 2.60 1 305 MET 4.03 3.00 1 306 GLN 4.66 3.00 1 308 LEU 4.20 1.10 1 309 ASP 3.91 3.30 1 310 ARG 3.67 2.60 1 311 LEU 3.34 1.20 1 312 LYS 3.71 1.40 1 313 ALA 1.72 2.20 1 314 LEU 0.34 -0.20 1 stop_ save_