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 bmr6942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.79 _LACS_plot.Line_1_terminator_val_y_1 -2.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.30 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 5.89 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ILE 4.60 -1.16 0 11 GLU 4.60 3.06 1 12 VAL 3.87 2.90 1 13 VAL 6.05 5.08 1 14 GLU 3.48 3.06 1 15 GLU 2.94 2.79 1 16 LEU 3.07 2.66 1 17 THR 3.92 3.30 1 18 ARG 2.36 2.30 1 19 LYS 0.73 0.47 1 20 THR -1.43 -1.59 1 21 TYR -0.61 -0.41 1 22 PHE -2.06 -0.21 1 23 THR -1.16 -1.32 1 24 GLU 4.57 3.88 1 25 LYS 3.82 3.46 1 26 GLU 2.12 2.52 1 27 VAL 6.86 5.62 1 28 GLN 4.15 3.42 1 29 GLN 4.16 3.42 1 30 TRP 2.55 3.25 1 31 TYR 5.10 4.21 1 32 LYS 4.09 3.46 1 34 PHE 2.97 3.32 1 35 ILE -0.82 -1.44 1 36 LYS 3.82 2.92 1 37 ASP 0.49 1.11 1 42 GLN -3.19 -1.75 1 43 LEU -2.10 0.21 1 44 ASP -3.31 -2.42 1 45 ALA 5.21 3.63 1 46 ALA 3.31 2.54 1 48 PHE 2.57 3.87 1 49 GLN 5.69 3.96 1 50 LYS 3.82 3.46 1 51 ILE 4.35 3.73 1 53 LYS 2.46 1.83 1 54 GLN 3.06 2.33 1 55 PHE 0.39 0.88 1 56 PHE -0.18 0.53 1 58 PHE 0.12 -0.21 1 62 THR 3.06 1.40 1 63 LYS 4.37 3.74 1 64 PHE 4.75 4.96 1 65 ALA 2.49 2.27 1 66 THR 6.64 4.93 1 67 PHE 3.38 1.96 1 68 VAL 4.42 3.99 1 69 PHE 4.47 4.14 1 70 ASN 2.66 2.49 1 71 VAL 3.06 2.09 1 72 PHE 2.02 2.51 1 73 ASP 1.31 -1.61 1 74 GLU 1.85 3.06 1 75 ASN 0.48 -1.32 1 76 LYS 4.36 0.20 1 77 ASP -0.86 -1.33 1 79 ARG -5.79 -2.59 1 81 GLU -1.14 -0.20 1 82 PHE 6.38 4.96 1 84 GLU 1.30 1.70 1 85 PHE 3.88 3.69 1 87 GLN 4.94 2.27 1 88 ALA 3.07 2.39 1 89 LEU 4.14 3.00 1 90 SER -3.20 -2.54 1 91 VAL 3.46 3.30 1 92 THR 0.34 1.64 1 93 SER -0.18 -0.14 1 94 ARG -1.51 -0.50 1 96 THR 5.25 4.02 1 97 LEU 3.48 3.83 1 98 ASP 2.39 2.79 1 99 GLU 4.09 4.55 1 100 LYS 3.07 3.20 1 101 LEU 4.37 3.94 1 102 ARG 4.18 4.61 1 103 TRP 2.84 2.62 1 104 ALA 4.74 4.68 1 105 PHE 3.01 2.38 1 106 LYS 3.08 1.85 1 107 LEU 0.75 1.76 1 108 TYR 0.50 -2.42 1 109 ASP 2.25 2.93 1 110 LEU -0.32 -1.61 1 111 ASP 1.85 1.40 1 112 ASN -0.87 -0.52 1 113 ASP -5.77 -2.31 1 115 TYR -2.33 -1.05 1 117 THR 4.29 3.30 1 119 ASN 3.48 2.79 1 120 GLU 3.88 3.72 1 121 MET 3.89 3.48 1 122 LEU 4.30 3.83 1 123 ASP 4.90 1.56 1 124 ILE 2.12 4.10 1 126 ASP 3.58 3.09 1 127 ALA 5.31 5.09 1 128 ILE 5.37 3.12 1 129 TYR 3.34 3.42 1 130 GLN 1.70 3.72 1 131 MET 1.58 1.54 1 132 VAL 0.49 0.04 1 134 ASN 1.48 1.40 1 135 THR -2.11 -1.18 1 136 VAL -0.87 -0.74 1 137 GLU -1.34 -0.78 1 138 LEU 3.21 3.06 1 140 GLU 2.12 1.70 1 141 GLU -3.32 -1.83 1 142 GLU 2.93 1.40 1 143 ASN -1.70 -1.50 1 144 THR 4.84 4.15 1 146 GLU -2.16 -1.70 1 147 LYS 4.27 3.12 1 148 ARG 6.32 5.08 1 149 VAL 4.57 3.83 1 150 ASP 4.53 3.66 1 151 ARG 4.89 4.27 1 152 ILE 7.19 6.04 1 153 PHE 3.58 2.81 1 154 ALA 0.89 2.09 1 155 MET 0.34 2.09 1 156 MET 0.77 -1.06 1 157 ASP 2.74 2.38 1 158 LYS 0.76 -1.32 1 159 ASN 3.04 0.91 1 160 ALA -0.86 -1.06 1 161 ASP -5.69 -1.97 1 163 LYS -3.18 -2.23 1 164 LEU -3.69 -1.86 1 165 THR 5.52 3.48 1 166 LEU -0.19 -1.47 1 167 GLN 1.85 2.25 1 168 GLU 1.75 3.32 1 169 PHE 4.42 3.96 1 170 GLN 2.94 2.79 1 171 GLU 3.87 3.00 1 173 SER 3.01 2.38 1 174 LYS 0.32 0.64 1 175 ALA -1.24 -0.97 1 176 ASP 3.27 3.27 1 178 SER 2.72 1.83 1 179 ILE 0.98 0.73 1 180 VAL 1.12 1.79 1 181 GLN 1.40 1.18 1 182 ALA 0.63 0.49 1 183 LEU -0.21 -0.27 1 184 SER 1.71 -0.33 1 185 LEU -4.15 0.13 1 186 TYR 0.77 0.84 1 187 ASP 0.08 0.49 1 189 LEU 0.07 1.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.79 _LACS_plot.Line_1_terminator_val_y_1 2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.70 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -1.30 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ILE 4.60 -5.76 0 11 GLU 4.60 -1.54 1 12 VAL 3.87 -0.97 1 13 VAL 6.05 -0.97 1 14 GLU 3.48 -0.42 1 15 GLU 2.94 -0.15 1 16 LEU 3.07 -0.41 1 17 THR 3.92 -0.62 1 18 ARG 2.36 -0.06 1 19 LYS 0.73 -0.26 1 20 THR -1.43 -0.16 1 21 TYR -0.61 0.20 1 22 PHE -2.06 1.85 1 23 THR -1.16 -0.16 1 24 GLU 4.57 -0.69 1 25 LYS 3.82 -0.36 1 26 GLU 2.12 0.40 1 27 VAL 6.86 -1.24 1 28 GLN 4.15 -0.73 1 29 GLN 4.16 -0.74 1 30 TRP 2.55 0.70 1 31 TYR 5.10 -0.89 1 32 LYS 4.09 -0.63 1 34 PHE 2.97 0.35 1 35 ILE -0.82 -0.62 1 36 LYS 3.82 -0.90 1 37 ASP 0.49 0.62 1 42 GLN -3.19 1.44 1 43 LEU -2.10 2.31 1 44 ASP -3.31 0.89 1 45 ALA 5.21 -1.58 1 46 ALA 3.31 -0.77 1 48 PHE 2.57 1.30 1 49 GLN 5.69 -1.73 1 50 LYS 3.82 -0.36 1 51 ILE 4.35 -0.62 1 53 LYS 2.46 -0.63 1 54 GLN 3.06 -0.73 1 55 PHE 0.39 0.49 1 56 PHE -0.18 0.71 1 58 PHE 0.12 -0.33 1 62 THR 3.06 -1.66 1 63 LYS 4.37 -0.63 1 64 PHE 4.75 0.21 1 65 ALA 2.49 -0.22 1 66 THR 6.64 -1.71 1 67 PHE 3.38 -1.42 1 68 VAL 4.42 -0.43 1 69 PHE 4.47 -0.33 1 70 ASN 2.66 -0.17 1 71 VAL 3.06 -0.97 1 72 PHE 2.02 0.49 1 73 ASP 1.31 -2.92 1 74 GLU 1.85 1.21 1 75 ASN 0.48 -1.80 1 76 LYS 4.36 -4.16 1 77 ASP -0.86 -0.47 1 79 ARG -5.79 3.20 1 81 GLU -1.14 0.94 1 82 PHE 6.38 -1.42 1 84 GLU 1.30 0.40 1 85 PHE 3.88 -0.19 1 87 GLN 4.94 -2.67 1 88 ALA 3.07 -0.68 1 89 LEU 4.14 -1.14 1 90 SER -3.20 0.66 1 91 VAL 3.46 -0.16 1 92 THR 0.34 1.30 1 93 SER -0.18 0.04 1 94 ARG -1.51 1.01 1 96 THR 5.25 -1.23 1 97 LEU 3.48 0.35 1 98 ASP 2.39 0.40 1 99 GLU 4.09 0.46 1 100 LYS 3.07 0.13 1 101 LEU 4.37 -0.43 1 102 ARG 4.18 0.43 1 103 TRP 2.84 -0.22 1 104 ALA 4.74 -0.06 1 105 PHE 3.01 -0.63 1 106 LYS 3.08 -1.23 1 107 LEU 0.75 1.01 1 108 TYR 0.50 -2.92 1 109 ASP 2.25 0.68 1 110 LEU -0.32 -1.29 1 111 ASP 1.85 -0.45 1 112 ASN -0.87 0.35 1 113 ASP -5.77 3.46 1 115 TYR -2.33 1.28 1 117 THR 4.29 -0.99 1 119 ASN 3.48 -0.69 1 120 GLU 3.88 -0.16 1 121 MET 3.89 -0.41 1 122 LEU 4.30 -0.47 1 123 ASP 4.90 -3.34 1 124 ILE 2.12 1.98 1 126 ASP 3.58 -0.49 1 127 ALA 5.31 -0.22 1 128 ILE 5.37 -2.25 1 129 TYR 3.34 0.08 1 130 GLN 1.70 2.02 1 131 MET 1.58 -0.04 1 132 VAL 0.49 -0.45 1 134 ASN 1.48 -0.08 1 135 THR -2.11 0.93 1 136 VAL -0.87 0.13 1 137 GLU -1.34 0.56 1 138 LEU 3.21 -0.15 1 140 GLU 2.12 -0.42 1 141 GLU -3.32 1.49 1 142 GLU 2.93 -1.53 1 143 ASN -1.70 0.20 1 144 THR 4.84 -0.69 1 146 GLU -2.16 0.46 1 147 LYS 4.27 -1.15 1 148 ARG 6.32 -1.24 1 149 VAL 4.57 -0.74 1 150 ASP 4.53 -0.87 1 151 ARG 4.89 -0.62 1 152 ILE 7.19 -1.15 1 153 PHE 3.58 -0.77 1 154 ALA 0.89 1.20 1 155 MET 0.34 1.75 1 156 MET 0.77 -1.83 1 157 ASP 2.74 -0.36 1 158 LYS 0.76 -2.08 1 159 ASN 3.04 -2.13 1 160 ALA -0.86 -0.20 1 161 ASP -5.69 3.72 1 163 LYS -3.18 0.95 1 164 LEU -3.69 1.83 1 165 THR 5.52 -2.04 1 166 LEU -0.19 -1.28 1 167 GLN 1.85 0.40 1 168 GLU 1.75 1.57 1 169 PHE 4.42 -0.46 1 170 GLN 2.94 -0.15 1 171 GLU 3.87 -0.87 1 173 SER 3.01 -0.63 1 174 LYS 0.32 0.32 1 175 ALA -1.24 0.27 1 176 ASP 3.27 0.00 1 178 SER 2.72 -0.89 1 179 ILE 0.98 -0.25 1 180 VAL 1.12 0.67 1 181 GLN 1.40 -0.22 1 182 ALA 0.63 -0.14 1 183 LEU -0.21 -0.06 1 184 SER 1.71 -2.04 1 185 LEU -4.15 4.28 1 186 TYR 0.77 0.07 1 187 ASP 0.08 0.41 1 189 LEU 0.07 0.93 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.79 _LACS_plot.Line_1_terminator_val_y_1 0.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _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 164 LEU -3.69 1.45 0 11 GLU 4.60 -0.18 1 12 VAL 3.87 -0.21 1 13 VAL 6.05 0.05 1 14 GLU 3.48 -0.34 1 15 GLU 2.94 -0.42 1 16 LEU 3.07 -0.29 1 17 THR 3.92 -0.19 1 18 ARG 2.36 -0.11 1 19 LYS 0.73 -0.02 1 20 THR -1.43 0.55 1 21 TYR -0.61 0.03 1 22 PHE -2.06 0.50 1 23 THR -1.16 0.24 1 24 GLU 4.57 0.18 1 25 LYS 3.82 -0.06 1 26 GLU 2.12 -0.32 1 27 VAL 6.86 -0.35 1 28 GLN 4.15 -0.14 1 29 GLN 4.16 -0.31 1 30 TRP 2.55 -0.02 1 31 TYR 5.10 -0.51 1 32 LYS 4.09 -0.55 1 34 PHE 2.97 -0.53 1 35 ILE -0.82 -0.31 1 36 LYS 3.82 -0.41 1 37 ASP 0.49 0.01 1 42 GLN -3.19 0.53 1 43 LEU -2.10 0.29 1 44 ASP -3.31 0.42 1 45 ALA 5.21 -0.45 1 46 ALA 3.31 -0.28 1 48 PHE 2.57 -0.18 1 49 GLN 5.69 -0.56 1 50 LYS 3.82 -0.39 1 51 ILE 4.35 -0.49 1 53 LYS 2.46 -0.17 1 54 GLN 3.06 -0.45 1 55 PHE 0.39 -0.40 1 56 PHE -0.18 0.04 1 58 PHE 0.12 0.26 1 62 THR 3.06 0.02 1 63 LYS 4.37 -0.56 1 64 PHE 4.75 0.15 1 65 ALA 2.49 -0.81 1 66 THR 6.64 -0.44 1 67 PHE 3.38 -0.10 1 68 VAL 4.42 -0.63 1 69 PHE 4.47 -0.81 1 70 ASN 2.66 -0.33 1 71 VAL 3.06 -0.43 1 72 PHE 2.02 0.46 1 73 ASP 1.31 -0.24 1 74 GLU 1.85 -0.41 1 75 ASN 0.48 -0.06 1 76 LYS 4.36 -0.31 1 77 ASP -0.86 0.07 1 79 ARG -5.79 0.90 1 80 ILE 4.60 0.72 1 81 GLU -1.14 1.00 1 82 PHE 6.38 -0.69 1 84 GLU 1.30 -0.27 1 85 PHE 3.88 -0.45 1 87 GLN 4.94 -0.77 1 88 ALA 3.07 -0.38 1 89 LEU 4.14 -0.31 1 90 SER -3.20 -0.59 1 91 VAL 3.46 -0.72 1 92 THR 0.34 -0.28 1 93 SER -0.18 -0.20 1 94 ARG -1.51 -0.06 1 96 THR 5.25 -0.30 1 97 LEU 3.48 -0.30 1 98 ASP 2.39 -0.31 1 99 GLU 4.09 -0.44 1 100 LYS 3.07 -0.03 1 101 LEU 4.37 0.13 1 102 ARG 4.18 -0.64 1 103 TRP 2.84 -0.32 1 104 ALA 4.74 -0.36 1 105 PHE 3.01 -0.46 1 106 LYS 3.08 -0.75 1 107 LEU 0.75 0.22 1 108 TYR 0.50 -0.21 1 109 ASP 2.25 -0.41 1 110 LEU -0.32 -0.08 1 111 ASP 1.85 -0.39 1 112 ASN -0.87 -0.05 1 113 ASP -5.77 0.86 1 115 TYR -2.33 0.65 1 117 THR 4.29 -0.43 1 119 ASN 3.48 -0.32 1 120 GLU 3.88 -0.18 1 121 MET 3.89 -0.47 1 122 LEU 4.30 -0.05 1 123 ASP 4.90 0.31 1 124 ILE 2.12 -0.34 1 126 ASP 3.58 -0.06 1 127 ALA 5.31 -0.01 1 128 ILE 5.37 -0.32 1 129 TYR 3.34 -0.16 1 130 GLN 1.70 -0.27 1 131 MET 1.58 -0.13 1 132 VAL 0.49 0.17 1 134 ASN 1.48 -0.13 1 135 THR -2.11 0.12 1 136 VAL -0.87 -0.06 1 137 GLU -1.34 -0.12 1 138 LEU 3.21 -0.43 1 140 GLU 2.12 -0.19 1 141 GLU -3.32 0.20 1 142 GLU 2.93 -0.26 1 143 ASN -1.70 -0.02 1 144 THR 4.84 -0.66 1 146 GLU -2.16 -0.18 1 147 LYS 4.27 -0.26 1 148 ARG 6.32 -0.47 1 149 VAL 4.57 -0.15 1 150 ASP 4.89 -0.44 1 152 ILE 7.19 -0.13 1 153 PHE 3.58 -0.15 1 154 ALA 0.89 -0.17 1 155 MET 0.34 0.02 1 156 MET 0.77 -0.02 1 157 ASP 2.74 -0.26 1 158 LYS 0.76 0.10 1 159 ASN 3.04 -0.29 1 160 ALA -0.86 0.82 1 161 ASP -5.69 1.03 1 163 LYS -3.18 0.68 1 165 THR 5.52 -0.89 1 166 LEU -0.19 -0.21 1 167 GLN 1.85 -0.18 1 168 GLU 1.75 -0.47 1 169 PHE 4.42 -0.50 1 170 GLN 2.94 -0.36 1 171 GLU 3.87 -0.13 1 173 SER 3.01 -0.31 1 174 LYS 0.32 0.00 1 175 ALA -1.24 0.00 1 176 ASP 3.27 0.34 1 178 SER 2.72 -0.10 1 179 ILE 0.98 0.06 1 180 VAL 1.12 -0.11 1 181 GLN 1.40 0.04 1 182 ALA 0.63 0.16 1 183 LEU -0.21 0.33 1 184 SER 1.71 0.20 1 185 LEU -4.15 -0.42 1 186 TYR 0.77 -0.10 1 187 ASP 0.08 0.02 1 189 LEU 0.07 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6942_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.79 _LACS_plot.Line_1_terminator_val_y_1 -1.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 2.38 _LACS_plot.Y_axis_chem_shift_offset -0.55 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 LYS 3.07 -4.77 0 11 GLU 4.60 2.60 1 12 VAL 3.87 1.43 1 13 VAL 6.05 1.87 1 14 GLU 3.48 2.11 1 15 GLU 2.94 2.26 1 16 LEU 3.07 2.72 1 17 THR 3.92 4.41 1 18 ARG 2.36 1.98 1 19 LYS 0.73 -0.93 1 20 THR -1.43 -1.57 1 21 TYR -0.61 0.03 1 22 PHE -2.06 0.38 1 23 THR -1.16 0.88 1 24 GLU 4.57 2.10 1 25 LYS 3.82 3.12 1 26 GLU 2.12 1.08 1 27 VAL 6.86 1.68 1 28 GLN 4.15 0.48 1 29 GLN 4.16 3.63 1 30 TRP 2.55 2.96 1 31 TYR 5.10 0.25 1 32 LYS 4.09 3.05 1 34 PHE 2.97 0.84 1 35 ILE -0.82 1.80 1 36 LYS 3.82 0.98 1 37 ASP 0.49 -0.09 1 42 GLN -3.19 -2.58 1 43 LEU -2.10 -1.16 1 44 ASP -3.31 -0.67 1 45 ALA 5.21 2.20 1 46 ALA 3.31 3.47 1 48 PHE 2.57 1.57 1 50 LYS 3.82 -0.84 1 53 LYS 2.46 1.16 1 54 GLN 3.06 1.49 1 55 PHE 0.39 -0.54 1 58 PHE 0.12 -0.06 1 62 THR 3.06 1.67 1 64 PHE 4.75 0.80 1 65 ALA 2.49 1.54 1 66 THR 6.64 1.24 1 67 PHE 3.38 3.43 1 68 VAL 4.42 1.35 1 69 PHE 4.47 0.57 1 70 ASN 2.66 1.02 1 72 PHE 2.02 1.77 1 73 ASP 1.31 0.10 1 74 GLU 1.85 0.65 1 75 ASN 0.48 -0.34 1 76 LYS 4.36 -0.57 1 77 ASP -0.86 -0.27 1 79 ARG -5.79 -1.41 1 80 ILE 4.60 -0.65 1 81 GLU -1.14 0.79 1 82 PHE 6.38 0.94 1 84 GLU 1.30 2.24 1 85 PHE 3.88 1.52 1 87 GLN 4.94 0.82 1 88 ALA 3.07 1.40 1 89 LEU -3.20 1.24 1 91 VAL 3.46 1.39 1 92 THR 0.34 2.01 1 93 SER -0.18 -1.41 1 94 ARG -1.51 0.51 1 96 THR 5.25 0.99 1 97 LEU 3.48 3.84 1 98 ASP 2.39 3.36 1 99 GLU 4.09 3.11 1 101 LEU 4.37 2.55 1 102 ARG 4.18 1.62 1 103 TRP 2.84 0.67 1 104 ALA 4.74 0.04 1 105 PHE 3.01 1.24 1 106 LYS 3.08 -1.39 1 107 LEU 0.75 -0.53 1 108 TYR 0.50 1.41 1 109 ASP 2.25 1.59 1 110 LEU -0.32 0.42 1 111 ASP 1.85 -0.32 1 112 ASN -0.87 1.14 1 113 ASP -5.77 -0.30 1 115 TYR -2.33 1.25 1 117 THR 4.29 2.53 1 119 ASN 3.48 0.82 1 120 GLU 3.88 1.62 1 121 MET 3.89 0.06 1 122 LEU 4.30 3.30 1 123 ASP 4.90 1.60 1 124 ILE 2.12 1.62 1 126 ASP 3.58 3.20 1 127 ALA 5.31 1.02 1 128 ILE 5.37 4.19 1 129 TYR 3.34 2.31 1 130 GLN 1.70 0.08 1 131 MET 1.58 1.78 1 132 VAL 0.49 1.12 1 134 ASN 1.48 -0.06 1 135 THR -2.11 -1.27 1 136 VAL -0.87 -0.67 1 137 GLU 3.21 1.53 1 140 GLU 2.12 -0.32 1 141 GLU -3.32 -0.62 1 142 GLU 2.93 -0.47 1 143 ASN 4.84 1.49 1 146 GLU -2.16 3.31 1 147 LYS 4.27 1.44 1 148 ARG 6.32 3.66 1 149 VAL 4.53 2.63 1 151 ARG 4.89 2.23 1 152 ILE 7.19 2.52 1 153 PHE 3.58 2.10 1 154 ALA 0.89 1.61 1 155 MET 0.34 0.66 1 156 MET 0.77 1.30 1 157 ASP 2.74 0.71 1 158 LYS 0.76 -1.03 1 159 ASN 3.04 -1.77 1 160 ALA -0.86 1.12 1 161 ASP -5.69 -1.78 1 163 LYS -3.18 0.49 1 164 LEU -3.69 0.77 1 165 THR 5.52 0.67 1 166 LEU -0.19 3.10 1 167 GLN 1.85 3.89 1 168 GLU 1.75 1.82 1 169 PHE 4.42 2.91 1 170 GLN 2.94 3.53 1 171 GLU 3.87 0.33 1 173 SER 3.01 0.98 1 174 LYS 0.32 0.02 1 175 ALA 3.27 1.98 1 178 SER 2.72 0.44 1 179 ILE 0.98 0.43 1 180 VAL 1.12 0.62 1 181 GLN 1.40 -0.49 1 182 ALA 0.63 -1.06 1 183 LEU -0.21 -1.55 1 184 SER -4.15 -0.44 1 186 TYR 0.77 0.40 1 187 ASP 0.08 1.51 1 stop_ save_