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 bmr17446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 5.18 _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 189 HIS 6.69 6.63 0 153 ILE 0.32 -3.32 0 10 GLN -0.51 -0.44 1 13 ASN -0.09 -0.30 1 15 TRP 0.81 -0.08 1 16 GLU -0.59 -0.15 1 17 SER 0.48 0.42 1 19 SER 0.10 0.09 1 20 LEU 0.40 0.18 1 21 SER 0.20 0.11 1 22 SER 0.23 0.13 1 23 ALA -0.10 -0.05 1 24 ALA -0.06 -0.06 1 25 VAL 0.25 0.04 1 26 THR -0.40 -0.30 1 27 SER 0.24 0.21 1 28 GLU -0.25 0.07 1 29 SER -0.02 -0.08 1 30 LEU -0.09 -0.08 1 34 LEU -0.41 -0.22 1 35 SER 0.24 0.08 1 38 VAL 0.20 0.08 1 39 GLU -0.41 -0.12 1 40 LYS 0.28 0.20 1 41 TYR 0.03 -0.16 1 42 ARG -0.22 -0.30 1 43 TYR 0.45 0.13 1 44 GLN 0.01 0.17 1 45 ASP 0.51 0.47 1 46 GLU -0.49 -0.02 1 47 GLU -0.50 -0.11 1 48 VAL 0.02 -0.22 1 49 LEU -0.15 -0.22 1 51 SER 0.71 0.47 1 52 GLU -0.37 -0.09 1 53 ARG 0.23 0.01 1 54 ILE -0.22 -0.31 1 55 SER -0.25 -0.21 1 57 GLN -0.06 -0.02 1 58 VAL 0.03 -0.04 1 60 ASN 0.44 0.35 1 61 GLU -0.46 0.01 1 62 VAL 0.56 0.17 1 63 LEU -0.38 -0.26 1 66 GLU 0.36 0.18 1 67 LEU 0.08 -0.05 1 68 VAL 0.21 0.06 1 69 HIS -0.25 0.52 1 70 VAL 0.20 0.09 1 71 SER -0.08 -0.02 1 72 GLU 0.06 0.27 1 73 LYS 0.39 0.32 1 74 SER 0.23 0.14 1 75 LEU 0.97 0.62 1 76 SER 0.70 0.50 1 77 GLU 0.13 0.31 1 78 ILE 0.74 0.53 1 79 GLU -0.12 0.19 1 80 ASN 0.21 0.05 1 81 VAL 1.09 0.47 1 82 HIS 0.23 0.92 1 84 PHE 0.10 0.10 1 85 VAL -0.35 -0.26 1 86 SER -0.25 -0.23 1 93 ILE 0.35 0.01 1 94 LYS -0.17 -0.29 1 95 ALA -0.79 -0.47 1 96 ASN 0.20 0.04 1 100 VAL 0.32 0.07 1 101 LEU -0.25 -0.33 1 102 VAL -0.36 -0.30 1 103 ASN -0.02 -0.01 1 104 THR 0.64 0.22 1 105 ASP 0.61 0.54 1 106 SER 0.16 0.05 1 107 LEU 0.27 0.10 1 108 GLU -0.62 -0.27 1 109 THR 0.14 0.00 1 111 THR 0.15 0.14 1 112 TYR -0.19 -0.28 1 113 VAL -0.16 -0.20 1 114 ASN 0.04 0.15 1 116 THR -0.46 -0.05 1 117 ASP 0.22 0.53 1 118 ALA 0.51 0.62 1 119 ASP -0.17 0.50 1 120 TYR -3.78 -0.67 1 121 GLU -5.61 -2.57 1 122 TYR -3.92 -1.64 1 123 GLU -4.78 -0.68 1 124 GLU -3.08 -1.63 1 125 ILE -3.91 0.03 1 126 THR 0.55 0.17 1 127 LEU -6.32 -2.64 1 128 GLU -2.60 -2.18 1 129 ARG 1.68 2.14 1 134 LEU 1.72 1.48 1 136 PHE -2.77 -1.26 1 137 SER -3.20 -1.60 1 138 ILE -7.06 -2.40 1 139 ALA -6.38 -1.44 1 142 THR 3.82 2.37 1 143 ASP 0.60 -1.37 1 144 ASN -0.00 0.31 1 146 HIS -0.85 1.92 1 147 ILE -2.63 -1.55 1 149 ASP -0.55 -0.94 1 150 ASP -0.90 -0.24 1 151 SER 0.37 0.30 1 152 SER 1.59 1.64 1 154 PHE -5.32 -1.51 1 155 ILE 1.28 -0.61 1 156 THR 0.26 -0.16 1 157 LYS -2.61 0.42 1 158 ILE -0.60 -1.03 1 159 ILE -0.12 -0.71 1 160 THR 4.64 3.49 1 163 ALA 3.48 3.04 1 164 ALA 2.46 2.27 1 165 ALA 2.91 2.45 1 166 GLN 3.46 2.89 1 167 ASP 0.04 2.78 1 169 ARG 0.04 2.46 1 170 LEU -0.92 0.03 1 171 ARG -4.77 -2.57 1 172 VAL 5.20 3.38 1 174 ASP 2.68 2.28 1 176 ILE 0.68 0.64 1 177 LEU -0.18 0.57 1 178 ARG -5.26 -0.92 1 181 GLU 0.85 0.04 1 182 ALA -0.53 -0.83 1 183 ASP -0.25 0.28 1 184 VAL -0.23 -2.81 1 186 ASP 0.62 -0.01 1 187 VAL -6.27 -3.58 1 188 THR -1.68 -0.75 1 190 SER 4.41 3.02 1 191 LYS 3.58 2.04 1 192 ALA 3.94 2.99 1 193 VAL 5.79 4.73 1 194 GLU 2.88 2.73 1 195 ALA 4.50 2.34 1 196 LEU 3.48 2.85 1 197 LYS 3.47 3.27 1 198 GLU 0.46 -0.22 1 199 ALA -0.24 0.96 1 201 SER 3.24 3.00 1 202 ILE -0.48 -0.95 1 203 VAL -1.53 -0.62 1 204 ARG -1.14 -1.09 1 205 LEU -3.97 -1.99 1 206 TYR -2.93 -1.50 1 207 VAL -6.52 -3.87 1 208 LYS -7.08 -2.81 1 209 ARG -5.41 -2.04 1 210 ARG 1.18 0.46 1 211 LYS 1.98 2.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.08 _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 -1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -1.51 _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 189 HIS 6.69 -0.06 0 153 ILE 0.32 -3.64 0 10 GLN -0.51 0.07 1 13 ASN -0.09 -0.21 1 15 TRP 0.81 -0.89 1 16 GLU -0.59 0.44 1 17 SER 0.48 -0.06 1 19 SER 0.10 -0.01 1 20 LEU 0.40 -0.22 1 21 SER 0.20 -0.09 1 22 SER 0.23 -0.10 1 23 ALA -0.10 0.05 1 24 ALA -0.06 0.00 1 25 VAL 0.25 -0.21 1 26 THR -0.40 0.10 1 27 SER 0.24 -0.03 1 28 GLU -0.25 0.32 1 29 SER -0.02 -0.06 1 30 LEU -0.09 0.01 1 34 LEU -0.41 0.19 1 35 SER 0.24 -0.16 1 38 VAL 0.20 -0.12 1 39 GLU -0.41 0.29 1 40 LYS 0.28 -0.08 1 41 TYR 0.03 -0.19 1 42 ARG -0.22 -0.08 1 43 TYR 0.45 -0.32 1 44 GLN 0.01 0.16 1 45 ASP 0.51 -0.04 1 46 GLU -0.49 0.47 1 47 GLU -0.50 0.39 1 48 VAL 0.02 -0.24 1 49 LEU -0.15 -0.07 1 51 SER 0.71 -0.24 1 52 GLU -0.37 0.28 1 53 ARG 0.23 -0.22 1 54 ILE -0.22 -0.09 1 55 SER -0.25 0.04 1 57 GLN -0.06 0.04 1 58 VAL 0.03 -0.07 1 60 ASN 0.44 -0.09 1 61 GLU -0.46 0.47 1 62 VAL 0.56 -0.39 1 63 LEU -0.38 0.12 1 66 GLU 0.36 -0.18 1 67 LEU 0.08 -0.13 1 68 VAL 0.21 -0.15 1 69 HIS -0.25 0.77 1 70 VAL 0.20 -0.11 1 71 SER -0.08 0.06 1 72 GLU 0.06 0.21 1 73 LYS 0.39 -0.07 1 74 SER 0.23 -0.09 1 75 LEU 0.97 -0.35 1 76 SER 0.70 -0.20 1 77 GLU 0.13 0.18 1 78 ILE 0.74 -0.21 1 79 GLU -0.12 0.31 1 80 ASN 0.21 -0.16 1 81 VAL 1.09 -0.62 1 82 HIS 0.23 0.69 1 84 PHE 0.10 0.00 1 85 VAL -0.35 0.09 1 86 SER -0.25 0.02 1 93 ILE 0.35 -0.34 1 94 LYS -0.17 -0.12 1 95 ALA -0.79 0.32 1 96 ASN 0.20 -0.16 1 100 VAL 0.32 -0.25 1 101 LEU -0.25 -0.08 1 102 VAL -0.36 0.06 1 103 ASN -0.02 0.01 1 104 THR 0.64 -0.42 1 105 ASP 0.61 -0.07 1 106 SER 0.16 -0.11 1 107 LEU 0.27 -0.17 1 108 GLU -0.62 0.35 1 109 THR 0.14 -0.14 1 111 THR 0.15 -0.01 1 112 TYR -0.19 -0.09 1 113 VAL -0.16 -0.04 1 114 ASN 0.04 0.11 1 116 THR -0.46 0.41 1 117 ASP 0.22 0.31 1 118 ALA 0.51 0.11 1 119 ASP -0.17 0.67 1 120 TYR -3.78 3.11 1 121 GLU -5.61 3.04 1 122 TYR -3.92 2.28 1 123 GLU -4.78 4.10 1 124 GLU -3.08 1.45 1 125 ILE -3.91 3.94 1 126 THR 0.55 -0.38 1 127 LEU -6.32 3.68 1 128 GLU -2.60 0.42 1 129 ARG 1.68 0.46 1 134 LEU 1.72 -0.24 1 136 PHE -2.77 1.51 1 137 SER -3.20 1.60 1 138 ILE -7.06 4.66 1 139 ALA -6.38 4.94 1 142 THR 3.82 -1.45 1 143 ASP 0.60 -1.97 1 144 ASN -0.00 0.31 1 146 HIS -0.85 2.77 1 147 ILE -2.63 1.08 1 149 ASP -0.55 -0.39 1 150 ASP -0.90 0.66 1 151 SER 0.37 -0.07 1 152 SER 1.59 0.05 1 154 PHE -5.32 3.81 1 155 ILE 1.28 -1.89 1 156 THR 0.26 -0.42 1 157 LYS -2.61 3.03 1 158 ILE -0.60 -0.43 1 159 ILE -0.12 -0.59 1 160 THR 4.64 -1.15 1 163 ALA 3.48 -0.44 1 164 ALA 2.46 -0.19 1 165 ALA 2.91 -0.46 1 166 GLN 3.46 -0.57 1 167 ASP 0.04 2.74 1 169 ARG 0.04 2.42 1 170 LEU -0.92 0.95 1 171 ARG -4.77 2.20 1 172 VAL 5.20 -1.82 1 174 ASP 2.68 -0.40 1 176 ILE 0.68 -0.04 1 177 LEU -0.18 0.75 1 178 ARG -5.26 4.34 1 181 GLU 0.85 -0.81 1 182 ALA -0.53 -0.30 1 183 ASP -0.25 0.53 1 184 VAL -0.23 -2.58 1 186 ASP 0.62 -0.63 1 187 VAL -6.27 2.69 1 188 THR -1.68 0.93 1 190 SER 4.41 -1.39 1 191 LYS 3.58 -1.54 1 192 ALA 3.94 -0.95 1 193 VAL 5.79 -1.06 1 194 GLU 2.88 -0.15 1 195 ALA 4.50 -2.16 1 196 LEU 3.48 -0.63 1 197 LYS 3.47 -0.20 1 198 GLU 0.46 -0.68 1 199 ALA -0.24 1.20 1 201 SER 3.24 -0.24 1 202 ILE -0.48 -0.47 1 203 VAL -1.53 0.91 1 204 ARG -1.14 0.05 1 205 LEU -3.97 1.98 1 206 TYR -2.93 1.43 1 207 VAL -6.52 2.65 1 208 LYS -7.08 4.27 1 209 ARG -5.41 3.37 1 210 ARG 1.18 -0.72 1 211 LYS 1.98 0.37 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 0.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.01 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 126 THR 0.55 0.78 0 138 ILE -7.06 1.55 0 10 GLN -0.51 -0.11 1 13 ASN -0.09 -0.32 1 15 TRP 0.81 -0.08 1 16 GLU -0.59 -0.16 1 17 SER 0.48 -0.21 1 19 SER 0.10 -0.12 1 20 LEU 0.40 -0.05 1 21 SER 0.20 -0.11 1 22 SER 0.23 -0.13 1 23 ALA -0.10 -0.10 1 24 ALA -0.06 -0.10 1 25 VAL 0.25 -0.03 1 26 THR -0.40 -0.01 1 27 SER 0.24 -0.11 1 28 GLU -0.25 -0.12 1 29 SER -0.02 -0.11 1 30 LEU -0.09 -0.13 1 34 LEU -0.41 -0.03 1 35 SER 0.24 -0.13 1 38 VAL 0.20 -0.17 1 39 GLU -0.41 -0.21 1 40 LYS 0.28 -0.22 1 41 TYR 0.03 -0.14 1 42 ARG -0.22 -0.19 1 43 TYR 0.45 -0.15 1 44 GLN 0.01 -0.17 1 45 ASP 0.51 -0.19 1 46 GLU -0.49 -0.19 1 47 GLU -0.50 -0.18 1 48 VAL 0.02 -0.12 1 49 LEU -0.15 -0.16 1 51 SER 0.71 -0.22 1 52 GLU -0.37 -0.13 1 53 ARG 0.23 -0.10 1 54 ILE -0.22 -0.07 1 55 SER -0.25 -0.11 1 57 GLN -0.06 -0.13 1 58 VAL 0.03 -0.10 1 60 ASN 0.44 -0.21 1 61 GLU -0.46 -0.15 1 62 VAL 0.56 -0.14 1 63 LEU -0.38 -0.03 1 66 GLU 0.36 -0.21 1 67 LEU 0.08 -0.09 1 68 VAL 0.21 -0.18 1 69 HIS -0.25 -0.12 1 70 VAL 0.20 -0.10 1 71 SER -0.08 -0.12 1 72 GLU 0.06 -0.17 1 73 LYS 0.39 -0.11 1 74 SER 0.23 -0.13 1 75 LEU 0.97 -0.10 1 76 SER 0.70 -0.16 1 77 GLU 0.13 -0.15 1 78 ILE 0.74 -0.17 1 79 GLU -0.12 -0.23 1 80 ASN 0.21 -0.14 1 81 VAL 1.09 -0.19 1 82 HIS 0.23 -0.18 1 84 PHE 0.10 -0.11 1 85 VAL -0.35 -0.17 1 93 ILE 0.35 -0.17 1 94 LYS -0.17 -0.11 1 95 ALA -0.79 -0.12 1 96 ASN 0.20 -0.19 1 100 VAL 0.32 -0.17 1 101 LEU -0.25 0.00 1 102 VAL -0.36 -0.09 1 103 ASN -0.02 -0.04 1 104 THR 0.64 -0.13 1 105 ASP 0.61 -0.12 1 106 SER 0.16 -0.14 1 107 LEU 0.27 -0.09 1 108 GLU -0.62 -0.13 1 109 THR 0.14 -0.16 1 111 THR 0.15 -0.24 1 112 TYR -0.19 -0.06 1 113 VAL -0.16 -0.15 1 114 ASN 0.04 -0.12 1 116 THR -0.46 0.03 1 117 ASP 0.22 -0.04 1 118 ALA 0.51 -0.12 1 119 ASP -0.17 -0.09 1 120 TYR -3.78 0.42 1 121 GLU -5.61 0.27 1 122 TYR -3.92 0.78 1 123 GLU -4.78 0.14 1 124 GLU -3.08 0.86 1 125 ILE -3.91 -0.23 1 127 LEU -6.32 0.33 1 128 GLU -2.60 0.51 1 129 ARG 1.68 -0.75 1 134 LEU 1.72 -0.28 1 136 PHE -2.77 0.68 1 137 SER -3.20 0.47 1 139 ALA -6.38 0.29 1 142 THR 3.82 -0.28 1 143 ASP 0.60 -0.21 1 144 ASN -0.00 -0.24 1 146 HIS -0.85 -0.17 1 147 ILE -2.63 -0.17 1 149 ASP -0.55 -0.08 1 150 ASP -0.90 -0.01 1 151 SER 0.37 -0.24 1 152 SER 1.59 -0.35 1 153 ILE 0.32 0.38 1 154 PHE -5.32 0.77 1 155 ILE 1.28 0.33 1 156 THR 0.26 0.14 1 157 LYS -2.61 -0.04 1 158 ILE -0.60 0.17 1 159 ILE -0.12 -0.12 1 160 THR 4.64 -0.39 1 163 ALA 3.48 -0.30 1 164 ALA 2.46 -0.14 1 165 ALA 2.91 -0.39 1 166 GLN 3.46 -0.44 1 167 ASP 0.04 -0.27 1 169 ARG 0.04 -0.18 1 170 LEU -0.92 -0.53 1 171 ARG -4.77 0.09 1 172 VAL 5.20 -0.94 1 174 ASP 2.68 -0.16 1 176 ILE 0.68 -0.31 1 177 LEU -0.18 -0.07 1 182 ALA -0.53 0.02 1 183 ASP -0.25 -0.13 1 184 VAL -0.23 0.48 1 186 ASP 0.62 -0.29 1 187 VAL -6.27 0.75 1 188 THR -1.68 0.22 1 189 HIS 6.69 -0.79 1 190 SER 4.41 -0.51 1 191 LYS 3.58 -0.28 1 192 ALA 3.94 -0.49 1 193 VAL 5.79 -0.86 1 194 GLU 2.88 -0.48 1 195 ALA 4.50 -0.37 1 196 LEU 3.48 -0.52 1 197 LYS 3.47 -0.38 1 198 GLU 0.46 -0.16 1 199 ALA -0.24 -0.20 1 201 SER 3.24 -0.34 1 202 ILE -0.48 0.42 1 203 VAL -1.53 0.17 1 204 ARG -1.14 0.47 1 205 LEU -3.97 0.72 1 206 TYR -2.93 0.77 1 207 VAL -6.52 1.27 1 208 LYS -7.08 0.72 1 209 ARG -5.41 0.63 1 210 ARG 1.18 -0.43 1 211 LYS 1.98 -0.50 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17446_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.53 _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 6.69 _LACS_plot.Line_2_terminator_val_y_2 2.97 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 144 ASN -0.00 7.61 0 10 GLN -0.51 -0.54 1 13 ASN -0.09 0.51 1 15 TRP 0.81 0.23 1 16 GLU -0.59 -0.30 1 17 SER 0.48 0.60 1 19 SER 0.10 0.06 1 20 LEU 0.40 -0.02 1 21 SER 0.20 0.12 1 22 SER 0.23 -0.38 1 23 ALA -0.10 -0.51 1 24 ALA -0.06 -0.10 1 25 VAL 0.25 0.14 1 26 THR -0.40 -0.14 1 27 SER 0.24 -0.09 1 28 GLU -0.25 -0.32 1 29 SER -0.02 -0.67 1 30 LEU -0.09 -0.45 1 34 LEU -0.41 -0.46 1 35 SER 0.24 -1.25 1 38 VAL 0.20 -0.08 1 39 GLU -0.41 -0.47 1 40 LYS 0.28 -0.54 1 41 TYR 0.03 -0.52 1 42 ARG -0.22 -0.87 1 43 TYR 0.45 -0.19 1 44 GLN 0.01 -0.77 1 45 ASP 0.51 -0.21 1 46 GLU -0.49 -0.34 1 47 GLU -0.50 -0.53 1 48 VAL 0.02 -0.49 1 49 LEU -0.15 -0.36 1 51 SER 0.71 0.18 1 52 GLU -0.37 -0.41 1 53 ARG 0.23 -0.38 1 54 ILE -0.22 -0.40 1 55 SER -0.25 -0.66 1 57 GLN -0.06 -0.23 1 58 VAL 0.03 -0.54 1 60 ASN 0.44 -0.11 1 61 GLU -0.46 -0.54 1 62 VAL 0.56 -0.35 1 63 LEU -0.38 -0.32 1 66 GLU 0.36 -0.18 1 67 LEU 0.08 -0.64 1 68 VAL 0.21 -0.64 1 69 HIS -0.25 0.69 1 70 VAL 0.20 -0.44 1 71 SER -0.08 -0.06 1 72 GLU 0.06 0.00 1 73 LYS 0.39 0.06 1 74 SER 0.23 0.26 1 75 LEU 0.97 0.12 1 76 SER 0.70 0.16 1 77 GLU 0.13 0.11 1 78 ILE 0.74 -0.07 1 79 GLU -0.12 -0.38 1 80 ASN 0.21 0.12 1 81 VAL 1.09 -0.20 1 82 HIS 0.23 1.37 1 84 PHE 0.10 -0.30 1 85 VAL -0.35 -0.87 1 86 SER -0.25 -0.21 1 93 ILE 0.35 -0.24 1 94 LYS -0.17 -0.86 1 95 ALA -0.79 -0.85 1 96 ASN 0.20 3.36 1 100 VAL 0.32 -0.44 1 101 LEU -0.25 -0.83 1 102 VAL -0.36 -0.84 1 103 ASN -0.02 0.30 1 104 THR 0.64 -0.23 1 105 ASP 0.61 0.01 1 106 SER 0.16 -0.16 1 107 LEU 0.27 -0.32 1 108 GLU -0.62 -0.35 1 109 THR 0.14 -0.55 1 111 THR 0.15 -0.61 1 112 TYR -0.19 -0.46 1 113 VAL -0.16 -0.84 1 116 THR -0.46 -0.20 1 117 ASP 0.22 -0.10 1 118 ALA 0.51 -0.60 1 119 ASP -0.17 -1.26 1 120 TYR -3.78 -1.81 1 121 GLU -5.61 -3.19 1 122 TYR -3.92 0.24 1 123 GLU -4.78 -3.52 1 124 GLU -3.08 -1.16 1 125 ILE -3.91 -2.56 1 126 THR 0.55 -1.53 1 127 LEU -6.32 -2.82 1 128 GLU -2.60 -0.80 1 129 ARG 1.68 -0.06 1 134 LEU 1.72 0.29 1 136 PHE -2.77 -3.03 1 137 SER -3.20 -0.80 1 138 ILE -7.06 -1.03 1 139 ALA -6.38 -2.40 1 142 THR 3.82 0.96 1 143 ASP 0.60 -0.42 1 146 HIS -0.85 0.46 1 147 ILE -2.63 -1.11 1 149 ASP -0.55 -0.65 1 150 ASP -0.90 0.30 1 151 SER 0.37 0.02 1 152 SER 1.59 -2.74 1 153 ILE 0.32 -1.17 1 154 PHE -5.32 0.01 1 155 ILE 1.28 1.34 1 156 THR 0.26 0.43 1 157 LYS -2.61 -2.69 1 158 ILE -0.60 -0.95 1 159 ILE -0.12 0.42 1 160 THR 4.64 0.54 1 163 ALA 3.48 3.22 1 164 ALA 2.46 3.45 1 165 ALA 2.91 1.67 1 166 GLN 3.46 1.87 1 167 ASP 0.04 1.36 1 169 ARG 0.04 0.56 1 170 LEU -0.92 -1.51 1 171 ARG -4.77 -0.28 1 172 VAL 5.20 1.67 1 174 ASP 2.68 -1.01 1 176 ILE 0.68 -2.55 1 177 LEU -0.18 0.00 1 178 ARG -5.26 -2.30 1 181 GLU 0.85 -1.03 1 182 ALA -0.53 -2.25 1 183 ASP -0.25 1.42 1 184 VAL -0.23 -1.23 1 186 ASP 0.62 -1.38 1 187 VAL -6.27 -0.29 1 188 THR -1.68 0.75 1 189 HIS 6.69 3.78 1 190 SER 4.41 2.55 1 191 LYS 3.58 2.41 1 192 ALA 3.94 0.63 1 193 VAL 5.79 3.27 1 194 GLU 2.88 1.08 1 195 ALA 4.50 3.11 1 196 LEU 3.48 0.89 1 197 LYS 3.47 2.49 1 198 GLU 0.46 0.31 1 199 ALA -0.24 -1.31 1 201 SER 3.24 -0.98 1 202 ILE -0.48 -1.51 1 203 VAL -1.53 -2.65 1 204 ARG -1.14 -0.79 1 205 LEU -3.97 -2.80 1 206 TYR -2.93 -0.78 1 207 VAL -6.52 -3.05 1 208 LYS -7.08 -2.32 1 209 ARG -5.41 -1.91 1 210 ARG 1.18 -0.16 1 211 LYS 1.98 4.78 1 stop_ save_