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 bmr19945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.59 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.14 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 7.12 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 GLU 9.48 8.13 0 59 TYR 6.75 1.56 0 144 ILE -3.21 -4.38 0 120 TRP -8.59 -2.20 0 10 SER -2.61 0.01 1 11 ASP 2.35 1.35 1 12 THR -0.33 -1.56 1 14 ASN 6.03 3.96 1 15 THR 7.37 5.53 1 16 GLU 3.99 2.47 1 17 ASN 4.46 3.20 1 18 ILE 5.65 1.40 1 19 ALA 3.44 3.16 1 20 LYS 4.62 3.62 1 21 MET 2.90 4.26 1 22 ILE 5.74 4.62 1 23 GLN 5.54 3.99 1 24 LYS 3.70 2.96 1 25 GLN 2.87 2.38 1 26 LEU 1.22 1.97 1 28 LYS 3.73 2.73 1 29 ASP 2.31 1.01 1 30 VAL 1.58 1.52 1 31 ALA -6.57 -2.34 1 32 ASP -4.48 -1.79 1 33 VAL -1.88 -0.90 1 34 HIS -5.85 -1.43 1 35 ASP -2.74 -2.44 1 36 ILE -2.22 -1.75 1 37 ALA 0.87 1.12 1 38 LYS -2.38 -2.05 1 39 SER -1.11 0.63 1 40 SER -5.92 -2.30 1 41 LYS 4.56 4.77 1 42 GLU 4.65 3.39 1 43 ASP 3.69 3.40 1 44 LEU 4.46 4.78 1 45 GLU 1.74 2.08 1 46 ALA 0.84 0.82 1 47 TYR -3.15 -0.29 1 48 ASP 0.46 1.01 1 49 ILE -1.84 -0.57 1 50 LEU -7.92 -2.28 1 51 LEU -3.71 -1.79 1 52 LEU -1.31 -2.22 1 54 ILE -6.98 -2.69 1 56 THR 0.69 0.58 1 57 TRP -6.38 -1.23 1 58 TYR 3.90 1.30 1 61 GLU -1.72 -1.12 1 62 ALA -2.80 -0.69 1 65 ASP 3.81 3.93 1 66 TRP 2.66 3.02 1 67 ASP 1.84 3.14 1 68 ASP 2.35 2.06 1 69 PHE -0.70 1.23 1 70 PHE 7.86 3.52 1 72 THR 6.60 4.00 1 73 LEU 1.66 3.05 1 74 GLU 0.95 1.07 1 75 GLU -1.18 -0.57 1 76 ILE 0.76 0.97 1 77 ASP -0.83 -1.06 1 78 PHE 0.87 1.44 1 79 ASN 3.51 3.35 1 81 LYS -1.05 -0.20 1 82 LEU -3.05 -1.30 1 83 VAL -6.45 -3.00 1 84 ALA -7.10 -2.07 1 85 LEU -5.64 -2.13 1 86 PHE -6.40 -3.02 1 90 ASP -3.81 -1.65 1 91 GLN 1.32 1.36 1 92 GLU -0.13 0.74 1 93 ASP 2.07 1.22 1 94 TYR 0.44 -1.52 1 95 ALA 1.97 3.42 1 96 GLU 1.10 0.38 1 97 TYR -3.95 -1.46 1 98 PHE 1.90 0.96 1 100 ASP 3.08 3.93 1 101 ALA 2.19 1.90 1 102 LEU 2.43 2.74 1 104 THR 5.84 4.00 1 105 ILE 5.50 4.45 1 106 ARG 7.85 4.27 1 107 ASP 3.73 2.30 1 108 ILE 2.23 2.88 1 109 ILE 4.90 3.51 1 112 ARG 0.14 -0.26 1 114 ALA 0.38 0.89 1 115 THR 1.33 1.03 1 116 ILE -0.08 -0.58 1 117 VAL -2.73 -3.27 1 119 HIS 0.74 0.60 1 122 THR 1.32 0.28 1 123 ALA 2.20 1.38 1 125 TYR -2.89 -1.14 1 126 HIS -0.24 -0.85 1 127 PHE -2.55 -2.40 1 128 GLU -1.46 0.47 1 129 ALA -2.95 -0.05 1 130 SER -4.23 -0.83 1 131 LYS 1.17 0.70 1 133 LEU 2.28 0.38 1 134 ALA -0.72 -0.21 1 135 ASP -0.67 -1.24 1 136 ASP 3.88 3.64 1 137 ASP -2.24 -0.88 1 138 HIS -1.40 1.60 1 139 PHE -2.41 0.86 1 140 VAL 0.28 -0.08 1 142 LEU 4.26 0.60 1 143 ALA -3.62 -2.87 1 145 ASP -4.05 -1.65 1 146 GLU -2.68 -0.33 1 147 ASP 1.65 3.80 1 148 ARG -2.95 -3.04 1 149 GLN -2.34 -0.30 1 151 GLU 4.12 1.80 1 152 LEU -0.33 -0.79 1 153 THR 6.94 6.16 1 154 ALA 5.92 4.04 1 155 GLU 2.41 2.22 1 156 ARG 4.35 4.47 1 157 VAL 6.27 5.20 1 158 GLU 3.86 3.14 1 159 LYS 3.20 3.79 1 160 TRP 6.12 5.31 1 161 VAL 7.35 4.80 1 162 LYS 4.91 4.17 1 163 GLN 4.41 4.03 1 164 ILE 5.20 4.08 1 165 SER 6.30 4.88 1 166 GLU 3.26 2.60 1 167 GLU 2.50 3.40 1 168 LEU -1.22 -0.32 1 169 HIS 4.55 1.27 1 170 LEU 3.41 2.87 1 171 ASP 3.53 2.49 1 172 GLU 1.43 1.53 1 173 ILE 2.30 2.50 1 174 LEU 1.11 1.17 1 175 ASN -0.25 0.12 1 176 ALA 0.87 1.91 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.59 _LACS_plot.Line_1_terminator_val_y_1 5.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.86 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -2.36 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 GLU 9.48 -1.35 0 59 TYR 6.75 -5.19 0 144 ILE -3.21 -1.17 0 120 TRP -8.59 6.39 0 10 SER -2.61 2.62 1 11 ASP 2.35 -1.00 1 12 THR -0.33 -1.23 1 14 ASN 6.03 -2.07 1 15 THR 7.37 -1.84 1 16 GLU 3.99 -1.52 1 17 ASN 4.46 -1.26 1 18 ILE 5.65 -4.25 1 19 ALA 3.44 -0.28 1 20 LYS 4.62 -1.00 1 21 MET 2.90 1.36 1 22 ILE 5.74 -1.12 1 23 GLN 5.54 -1.55 1 24 LYS 3.70 -0.74 1 25 GLN 2.87 -0.49 1 26 LEU 1.22 0.75 1 28 LYS 3.73 -1.00 1 29 ASP 2.31 -1.30 1 30 VAL 1.58 -0.06 1 31 ALA -6.57 4.23 1 32 ASP -4.48 2.69 1 33 VAL -1.88 0.98 1 34 HIS -5.85 4.42 1 35 ASP -2.74 0.30 1 36 ILE -2.22 0.47 1 37 ALA 0.87 0.25 1 38 LYS -2.38 0.33 1 39 SER -1.11 1.74 1 40 SER -5.92 3.62 1 41 LYS 4.56 0.21 1 42 GLU 4.65 -1.26 1 43 ASP 3.69 -0.29 1 44 LEU 4.46 0.32 1 45 GLU 1.74 0.34 1 46 ALA 0.84 -0.02 1 47 TYR -3.15 2.86 1 48 ASP 0.46 0.55 1 49 ILE -1.84 1.27 1 50 LEU -7.92 5.64 1 51 LEU -3.71 1.92 1 52 LEU -1.31 -0.91 1 54 ILE -6.98 4.29 1 56 THR 0.69 -0.11 1 57 TRP -6.38 5.15 1 58 TYR 3.90 -2.60 1 61 GLU -1.72 0.60 1 62 ALA -2.80 2.11 1 65 ASP 3.81 0.12 1 66 TRP 2.66 0.36 1 67 ASP 1.84 1.30 1 68 ASP 2.35 -0.29 1 69 PHE -0.70 1.93 1 70 PHE 7.86 -4.34 1 72 THR 6.60 -2.60 1 73 LEU 1.66 1.39 1 74 GLU 0.95 0.12 1 75 GLU -1.18 0.61 1 76 ILE 0.76 0.21 1 77 ASP -0.83 -0.23 1 78 PHE 0.87 0.57 1 79 ASN 3.51 -0.16 1 81 LYS -1.05 0.85 1 82 LEU -3.05 1.75 1 83 VAL -6.45 3.45 1 84 ALA -7.10 5.03 1 85 LEU -5.64 3.51 1 86 PHE -6.40 3.38 1 90 ASP -3.81 2.16 1 91 GLN 1.32 0.04 1 92 GLU -0.13 0.87 1 93 ASP 2.07 -0.85 1 94 TYR 0.44 -1.96 1 95 ALA 1.97 1.45 1 96 GLU 1.10 -0.72 1 97 TYR -3.95 2.49 1 98 PHE 1.90 -0.94 1 100 ASP 3.08 0.85 1 101 ALA 2.19 -0.29 1 102 LEU 2.43 0.31 1 104 THR 5.84 -1.84 1 105 ILE 5.50 -1.05 1 106 ARG 7.85 -3.58 1 107 ASP 3.73 -1.43 1 108 ILE 2.23 0.65 1 109 ILE 4.90 -1.39 1 112 ARG 0.14 -0.40 1 114 ALA 0.38 0.51 1 115 THR 1.33 -0.30 1 116 ILE -0.08 -0.50 1 117 VAL -2.73 -0.54 1 119 HIS 0.74 -0.14 1 122 THR 1.32 -1.04 1 123 ALA 2.20 -0.82 1 125 TYR -2.89 1.75 1 126 HIS -0.24 -0.61 1 127 PHE -2.55 0.15 1 128 GLU -1.46 1.93 1 129 ALA -2.95 2.90 1 130 SER -4.23 3.40 1 131 LYS 1.17 -0.47 1 133 LEU 2.28 -1.90 1 134 ALA -0.72 0.51 1 135 ASP -0.67 -0.57 1 136 ASP 3.88 -0.24 1 137 ASP -2.24 1.36 1 138 HIS -1.40 3.00 1 139 PHE -2.41 3.27 1 140 VAL 0.28 -0.36 1 142 LEU 4.26 -3.66 1 143 ALA -3.62 0.75 1 145 ASP -4.05 2.40 1 146 GLU -2.68 2.35 1 147 ASP 1.65 2.15 1 148 ARG -2.95 -0.09 1 149 GLN -2.34 2.04 1 151 GLU 4.12 -2.32 1 152 LEU -0.33 -0.46 1 153 THR 6.94 -0.78 1 154 ALA 5.92 -1.88 1 155 GLU 2.41 -0.19 1 156 ARG 4.35 0.12 1 157 VAL 6.27 -1.07 1 158 GLU 3.86 -0.72 1 159 LYS 3.20 0.59 1 160 TRP 6.12 -0.81 1 161 VAL 7.35 -2.55 1 162 LYS 4.91 -0.74 1 163 GLN 4.41 -0.38 1 164 ILE 5.20 -1.12 1 165 SER 6.30 -1.42 1 166 GLU 3.26 -0.66 1 167 GLU 2.50 0.90 1 168 LEU -1.22 0.90 1 169 HIS 4.55 -3.28 1 170 LEU 3.41 -0.54 1 171 ASP 3.53 -1.04 1 172 GLU 1.43 0.10 1 173 ILE 2.30 0.20 1 174 LEU 1.11 0.06 1 175 ASN -0.25 0.37 1 176 ALA 0.87 1.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.59 _LACS_plot.Line_1_terminator_val_y_1 1.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 TRP -6.38 -2.03 0 10 SER -2.61 0.53 1 11 ASP 2.35 0.33 1 12 THR -0.33 0.45 1 14 ASN 6.03 -0.11 1 15 THR 7.37 0.02 1 16 GLU 3.99 -2.06 1 17 ASN 4.46 -0.43 1 18 ILE 5.65 -0.52 1 19 ALA 3.44 -0.65 1 20 LYS 4.62 -0.50 1 21 MET 2.90 -0.53 1 22 ILE 5.74 -0.92 1 23 GLN 5.54 -0.90 1 24 LYS 3.70 -0.40 1 25 GLN 2.87 -0.34 1 26 LEU 1.22 -0.32 1 28 LYS 3.73 -0.10 1 29 ASP 2.31 -0.06 1 30 VAL 1.58 -0.06 1 31 ALA -6.57 1.21 1 32 ASP -4.48 0.23 1 33 VAL -1.88 0.54 1 34 HIS -5.85 -0.18 1 35 ASP -2.74 -1.34 1 36 ILE -2.22 -0.62 1 37 ALA 0.87 -0.23 1 38 LYS -2.38 0.29 1 39 SER -1.11 0.55 1 40 SER -5.92 0.56 1 41 LYS 4.56 -0.58 1 42 GLU 4.65 -0.22 1 43 ASP 3.69 -0.15 1 44 LEU 4.46 -0.37 1 45 GLU 1.74 -0.72 1 46 ALA 0.84 -0.28 1 47 TYR -3.15 0.18 1 48 ASP 0.46 0.27 1 49 ILE -1.84 1.12 1 50 LEU -7.92 1.32 1 51 LEU -3.71 1.69 1 52 LEU -1.31 1.32 1 54 ILE -6.98 0.76 1 56 THR 0.69 0.23 1 58 TYR 3.90 -0.33 1 59 TYR 6.75 -1.15 1 61 GLU -1.72 0.09 1 62 ALA -2.80 -0.11 1 65 ASP 3.81 -0.24 1 66 TRP 2.66 -0.44 1 67 ASP 1.84 -1.12 1 68 ASP 2.35 -0.28 1 69 PHE -0.70 -0.26 1 70 PHE 7.86 0.13 1 72 THR 6.60 -0.53 1 73 LEU 1.66 -0.25 1 74 GLU 0.95 -0.52 1 75 GLU -1.18 0.00 1 76 ILE 0.76 -0.39 1 77 ASP -0.83 0.17 1 78 PHE 0.87 -0.46 1 79 ASN 3.51 -0.22 1 81 LYS -1.05 0.72 1 82 LEU -3.05 0.89 1 83 VAL -6.45 1.72 1 84 ALA -7.10 1.01 1 85 LEU -5.64 1.27 1 86 PHE -6.40 0.60 1 90 ASP -3.81 1.16 1 91 GLN 1.32 -0.64 1 92 GLU -0.13 0.24 1 93 ASP 2.07 -0.36 1 94 TYR 0.44 0.13 1 95 ALA 1.97 -0.16 1 96 GLU 1.10 -0.04 1 97 TYR -3.95 0.86 1 98 PHE 1.90 0.52 1 100 ASP 3.08 -0.70 1 101 ALA 2.19 -0.17 1 102 LEU 2.43 -0.73 1 104 THR 5.84 -0.61 1 105 ILE 5.50 -0.67 1 106 ARG 7.85 -0.76 1 107 ASP 3.73 -0.29 1 108 ILE 2.23 -0.31 1 109 ILE 4.90 -0.44 1 110 GLU 9.48 -0.33 1 112 ARG 0.14 0.23 1 114 ALA 0.38 -0.04 1 115 THR 1.33 0.13 1 116 ILE -0.08 1.13 1 117 VAL -2.73 0.47 1 119 HIS 0.74 0.04 1 120 TRP -8.59 1.30 1 122 THR 1.32 -0.12 1 123 ALA 2.20 -0.05 1 125 TYR -2.89 0.39 1 126 HIS -0.24 0.28 1 127 PHE -2.55 0.30 1 128 GLU -1.46 0.01 1 129 ALA -2.95 0.38 1 130 SER -4.23 0.47 1 131 LYS 1.17 0.13 1 133 LEU 2.28 0.30 1 134 ALA -0.72 -0.08 1 135 ASP -0.67 -0.11 1 136 ASP 3.88 -0.31 1 137 ASP -2.24 0.19 1 138 HIS -1.40 0.55 1 139 PHE -2.41 0.40 1 140 VAL 0.28 -0.44 1 142 LEU 4.26 -1.29 1 143 ALA -3.62 0.15 1 144 ILE -3.21 0.15 1 145 ASP -4.05 1.16 1 146 GLU -2.68 0.31 1 147 ASP 1.65 -0.07 1 148 ARG -2.95 0.36 1 149 GLN -2.34 0.65 1 151 GLU 4.12 0.05 1 152 LEU -0.33 0.35 1 153 THR 6.94 -0.76 1 154 ALA 5.92 -0.43 1 155 GLU 2.41 -0.10 1 156 ARG 4.35 -0.12 1 157 VAL 6.27 -0.80 1 158 GLU 3.86 -0.15 1 159 LYS 3.20 -0.13 1 160 TRP 6.12 -0.29 1 161 VAL 7.35 -0.75 1 162 LYS 4.91 -0.32 1 163 GLN 4.41 -0.15 1 164 ILE 5.20 -0.18 1 165 SER 6.30 -0.49 1 166 GLU 3.26 -0.14 1 167 GLU 2.50 -0.41 1 168 LEU -1.22 -0.20 1 169 HIS 4.55 -0.38 1 170 LEU 3.41 -0.34 1 171 ASP 3.53 -0.31 1 172 GLU 1.43 -0.12 1 173 ILE 2.30 -0.12 1 174 LEU 1.11 -0.05 1 175 ASN -0.25 0.09 1 176 ALA 0.87 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19945_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.59 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 2.69 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 LEU 4.26 -3.88 0 97 TYR -3.95 4.05 0 10 SER -2.61 -1.16 1 11 ASP 2.35 2.81 1 12 THR -0.33 0.38 1 14 ASN 6.03 3.69 1 15 THR 7.37 2.09 1 16 GLU 3.99 0.04 1 17 ASN 4.46 3.05 1 18 ILE 5.65 1.16 1 19 ALA 3.44 1.09 1 20 LYS 4.62 3.07 1 21 MET 2.90 3.14 1 22 ILE 5.74 1.19 1 23 GLN 5.54 1.02 1 24 LYS 3.70 1.83 1 25 GLN 2.87 2.23 1 26 LEU 1.22 -0.35 1 28 LYS 3.73 -0.23 1 29 ASP 2.31 0.14 1 30 VAL 1.58 -1.64 1 31 ALA -6.57 -2.63 1 32 ASP -4.48 -1.53 1 33 VAL -1.88 -2.05 1 34 HIS -5.85 -2.18 1 35 ASP -2.74 3.48 1 36 ILE -2.22 -1.00 1 37 ALA 0.87 0.34 1 38 LYS -2.38 -0.10 1 39 SER -1.11 -3.20 1 40 SER -5.92 0.14 1 41 LYS 4.56 0.79 1 42 GLU 4.65 2.17 1 43 ASP 3.69 1.26 1 44 LEU 4.46 1.00 1 45 GLU 1.74 0.39 1 46 ALA 0.84 -0.90 1 47 TYR -3.15 -0.09 1 48 ASP 0.46 -1.27 1 49 ILE -1.84 -1.34 1 50 LEU -7.92 -3.00 1 51 LEU -3.71 -1.71 1 52 LEU -1.31 -3.84 1 56 THR 0.69 -2.98 1 57 TRP -6.38 -3.49 1 58 TYR 3.90 -2.28 1 59 TYR 6.75 -0.03 1 61 GLU -1.72 -1.05 1 62 ALA -2.80 -1.13 1 65 ASP 3.81 2.70 1 66 TRP 2.66 0.83 1 67 ASP 1.84 3.28 1 68 ASP 2.35 0.57 1 69 PHE -0.70 1.30 1 70 PHE 7.86 0.00 1 72 THR 6.60 1.80 1 73 LEU 1.66 0.40 1 74 GLU 0.95 0.33 1 75 GLU -1.18 0.44 1 76 ILE 0.76 -1.74 1 77 ASP -0.83 0.31 1 78 PHE 0.87 -0.45 1 79 ASN 3.51 1.61 1 81 LYS -1.05 -0.33 1 82 LEU -3.05 -2.25 1 83 VAL -6.45 -2.88 1 84 ALA -7.10 -2.57 1 85 LEU -5.64 -3.15 1 86 PHE -6.40 -2.18 1 90 ASP -3.81 -0.21 1 91 GLN 1.32 -2.36 1 92 GLU -0.13 0.65 1 93 ASP 2.07 -0.31 1 94 TYR 0.44 -0.38 1 95 ALA 1.97 1.92 1 96 GLU 1.10 -1.92 1 98 PHE 1.90 -1.06 1 100 ASP 3.08 2.59 1 101 ALA 2.19 0.80 1 102 LEU 2.43 1.97 1 104 THR 5.84 1.65 1 105 ILE 5.50 0.99 1 106 ARG 7.85 0.31 1 107 ASP 3.73 0.89 1 108 ILE 2.23 2.03 1 109 ILE 4.90 0.91 1 110 GLU 9.48 2.49 1 112 ARG 0.14 -0.51 1 114 ALA 0.38 -1.02 1 115 THR 1.33 -1.74 1 116 ILE -0.08 0.66 1 117 VAL -2.73 -1.11 1 119 HIS 0.74 1.77 1 120 TRP -8.59 -1.69 1 122 THR 1.32 1.72 1 123 ALA 2.20 1.06 1 125 TYR -2.89 -0.32 1 126 HIS -0.24 -2.13 1 127 PHE -2.55 -3.08 1 128 GLU -1.46 -0.57 1 129 ALA -2.95 -3.78 1 130 SER -4.23 2.06 1 131 LYS 1.17 -0.07 1 133 LEU 2.28 0.15 1 134 ALA -0.72 -1.11 1 135 ASP -0.67 -1.17 1 136 ASP 3.88 0.00 1 137 ASP -2.24 0.21 1 138 HIS -1.40 1.03 1 139 PHE -2.41 1.68 1 140 VAL 0.28 -3.28 1 143 ALA -3.62 -2.11 1 144 ILE -3.21 -2.68 1 145 ASP -4.05 0.53 1 146 GLU -2.68 0.53 1 147 ASP 1.65 1.83 1 148 ARG -2.95 1.40 1 149 GLN -2.34 0.74 1 151 GLU 4.12 0.44 1 152 LEU -0.33 -0.38 1 153 THR 6.94 -0.52 1 154 ALA 5.92 2.62 1 155 GLU 2.41 1.92 1 156 ARG 4.35 0.95 1 157 VAL 6.27 0.89 1 158 GLU 3.86 3.40 1 159 LYS 3.20 3.24 1 160 TRP 6.12 1.91 1 161 VAL 7.35 3.09 1 162 LYS 4.91 2.16 1 163 GLN 4.41 3.94 1 164 ILE 5.20 1.76 1 165 SER 6.30 1.84 1 166 GLU 3.26 3.37 1 167 GLU 2.50 1.92 1 168 LEU -1.22 -1.70 1 169 HIS 4.55 1.74 1 170 LEU 3.41 0.50 1 171 ASP 3.53 1.61 1 172 GLU 1.43 1.68 1 173 ILE 2.30 1.61 1 174 LEU 1.11 0.10 1 175 ASN -0.25 -1.35 1 176 ALA 0.87 4.91 1 stop_ save_