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 bmr25832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.31 _LACS_plot.Line_1_terminator_val_y_1 -2.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 7.36 _LACS_plot.Line_2_terminator_val_y_2 5.11 _LACS_plot.Y_axis_chem_shift_offset -0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 LEU -1.84 -5.33 0 10 SER 0.33 0.37 1 11 ARG 0.86 1.03 1 12 LEU 0.38 1.02 1 13 PHE -0.41 -0.10 1 14 SER -0.55 0.12 1 15 ASN -0.13 0.25 1 16 SER 0.21 0.74 1 17 ALA 0.14 0.70 1 18 SER 0.05 0.29 1 19 ARG 0.23 0.54 1 20 LEU -0.25 0.46 1 22 LYS 0.00 0.48 1 23 LYS -2.99 -0.50 1 24 VAL -7.31 -3.02 1 25 PHE -5.29 -0.88 1 26 PHE -1.59 -0.59 1 27 ASP -5.42 -1.04 1 29 ALA -1.95 -1.07 1 30 VAL 2.43 1.35 1 31 ASN -0.77 0.44 1 33 THR 2.65 2.06 1 34 LYS 1.08 1.28 1 35 ILE -3.18 0.05 1 37 ARG -2.88 -0.52 1 38 ILE -4.15 -1.73 1 39 GLU -5.02 -1.79 1 40 PHE -5.06 -1.31 1 41 GLU -3.03 -1.97 1 43 TYR 3.39 3.38 1 44 ASP 3.13 1.91 1 45 ASN -0.49 1.92 1 46 VAL -1.42 -2.05 1 47 VAL 5.30 4.38 1 49 LYS 6.68 5.94 1 50 THR 3.76 3.90 1 51 ALA 3.23 2.10 1 52 GLU 3.05 4.06 1 53 ASN 3.19 4.40 1 54 PHE 5.66 5.20 1 55 ARG 2.65 2.23 1 56 ALA 4.91 2.07 1 57 LEU 2.02 1.77 1 59 THR 1.90 2.44 1 61 GLU 1.26 -0.84 1 62 LYS -2.71 -0.54 1 64 TRP -1.15 -0.60 1 66 TYR 5.02 3.96 1 67 LYS 0.61 0.31 1 69 VAL 2.56 1.48 1 71 PHE -1.44 2.44 1 72 HIS -3.12 -0.37 1 73 ARG -3.28 0.66 1 74 ILE -5.49 -3.72 1 75 ILE 3.46 2.13 1 77 ASP 0.69 0.51 1 78 PHE -2.53 0.02 1 79 MET -3.65 -0.25 1 80 ILE -2.92 -1.04 1 81 GLN 2.07 0.04 1 84 ASP 4.59 3.23 1 85 THR 0.42 1.66 1 86 ASP 5.74 1.44 1 87 LEU 1.04 -1.16 1 88 THR 2.00 1.34 1 89 ASN 1.38 1.55 1 91 PHE -2.85 -0.08 1 94 LYS -4.59 -0.09 1 95 SER 4.35 3.30 1 96 ILE -0.87 -0.67 1 97 TYR 2.30 2.55 1 99 SER -3.13 -0.57 1 100 LYS -4.67 -1.65 1 101 PHE -0.42 0.14 1 102 ALA -0.06 0.35 1 103 ASP 2.18 4.53 1 104 GLU -0.91 0.38 1 105 ASN -1.41 -1.95 1 106 PHE 5.29 4.85 1 107 VAL -1.50 -2.19 1 108 LYS -3.20 -1.68 1 109 LYS 3.57 1.05 1 110 HIS -0.02 0.04 1 111 ASP -4.03 -0.98 1 112 LYS -0.97 0.63 1 113 ALA -2.96 -1.21 1 115 LEU -2.19 -1.90 1 116 LEU -0.09 0.17 1 117 SER -0.51 -0.95 1 118 MET -1.59 -0.34 1 119 ALA -0.35 1.70 1 120 ASN -2.23 -1.60 1 121 ALA 3.13 1.63 1 124 ASN -0.90 -1.22 1 125 THR 2.57 3.37 1 126 ASN -2.58 0.11 1 128 SER -0.27 3.14 1 129 GLN -5.99 -1.72 1 130 PHE -6.89 -2.34 1 131 PHE -4.56 -1.85 1 132 ILE -1.25 -0.04 1 133 THR 1.46 -0.04 1 134 THR -3.92 -1.17 1 135 VAL 5.23 2.94 1 139 TRP 2.68 -0.09 1 140 LEU 3.60 2.27 1 141 ASP -2.01 0.62 1 143 LYS -3.24 -0.22 1 144 HIS 1.52 1.15 1 145 VAL -5.91 0.47 1 146 VAL -4.74 -1.16 1 147 PHE -6.94 -2.22 1 149 GLU 0.62 1.09 1 150 VAL 1.39 1.00 1 151 THR -2.60 1.08 1 152 LYS 4.43 1.90 1 154 MET 5.13 2.76 1 155 ASP 4.84 1.70 1 156 ILE 7.37 5.82 1 157 VAL 4.67 2.29 1 158 LYS 4.38 3.20 1 159 ALA 6.44 5.81 1 160 ILE 1.90 2.72 1 161 GLU 3.20 3.04 1 162 SER 2.27 2.40 1 163 TYR -5.57 -1.09 1 165 THR 3.97 3.48 1 166 ALA 0.42 1.23 1 167 SER 0.10 0.24 1 169 LYS 0.30 0.82 1 171 ARG -5.84 -1.32 1 172 ALA -0.46 0.01 1 173 GLU -0.93 -0.52 1 174 ILE -6.13 -2.18 1 175 VAL 3.94 2.12 1 176 ILE 1.62 2.58 1 177 GLU -6.17 -1.59 1 178 GLU -5.84 -1.25 1 179 ALA -4.44 -0.97 1 181 GLU -0.85 0.73 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.31 _LACS_plot.Line_1_terminator_val_y_1 5.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.18 _LACS_plot.Line_2_terminator_val_x_2 7.36 _LACS_plot.Line_2_terminator_val_y_2 -2.25 _LACS_plot.Y_axis_chem_shift_offset -0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 42 LEU -1.84 -3.49 0 10 SER 0.33 0.04 1 11 ARG 0.86 0.17 1 12 LEU 0.38 0.64 1 13 PHE -0.41 0.31 1 14 SER -0.55 0.67 1 15 ASN -0.13 0.38 1 16 SER 0.21 0.53 1 17 ALA 0.14 0.56 1 18 SER 0.05 0.24 1 19 ARG 0.23 0.31 1 20 LEU -0.25 0.71 1 22 LYS 0.00 0.48 1 23 LYS -2.99 2.49 1 24 VAL -7.31 4.29 1 25 PHE -5.29 4.41 1 26 PHE -1.59 1.00 1 27 ASP -5.42 4.38 1 29 ALA -1.95 0.88 1 30 VAL 2.43 -1.08 1 31 ASN -0.77 1.21 1 33 THR 2.65 -0.59 1 34 LYS 1.08 0.20 1 35 ILE -3.18 3.23 1 37 ARG -2.88 2.36 1 38 ILE -4.15 2.42 1 39 GLU -5.02 3.23 1 40 PHE -5.06 3.75 1 41 GLU -3.03 1.06 1 43 TYR 3.39 -0.01 1 44 ASP 3.13 -1.22 1 45 ASN -0.49 2.41 1 46 VAL -1.42 -0.63 1 47 VAL 5.30 -0.92 1 49 LYS 6.68 -0.74 1 50 THR 3.76 0.14 1 51 ALA 3.23 -1.13 1 52 GLU 3.05 1.01 1 53 ASN 3.19 1.21 1 54 PHE 5.66 -0.46 1 55 ARG 2.65 -0.42 1 56 ALA 4.91 -2.84 1 57 LEU 2.02 -0.25 1 59 THR 1.90 0.54 1 61 GLU 1.26 -2.10 1 62 LYS -2.71 2.17 1 64 TRP -1.15 0.55 1 66 TYR 5.02 -1.06 1 67 LYS 0.61 -0.30 1 69 VAL 2.56 -1.08 1 71 PHE -1.44 3.88 1 72 HIS -3.12 2.75 1 73 ARG -3.28 3.94 1 74 ILE -5.49 1.77 1 75 ILE 3.46 -1.33 1 77 ASP 0.69 -0.18 1 78 PHE -2.53 2.55 1 79 MET -3.65 3.40 1 80 ILE -2.92 1.88 1 81 GLN 2.07 -2.03 1 84 ASP 4.59 -1.36 1 85 THR 0.42 1.24 1 86 ASP 5.74 -4.30 1 87 LEU 1.04 -2.20 1 88 THR 2.00 -0.66 1 89 ASN 1.38 0.17 1 91 PHE -2.85 2.77 1 94 LYS -4.59 4.50 1 95 SER 4.35 -1.05 1 96 ILE -0.87 0.20 1 97 TYR 2.30 0.25 1 99 SER -3.13 2.56 1 100 LYS -4.67 3.02 1 101 PHE -0.42 0.56 1 102 ALA -0.06 0.41 1 103 ASP 2.18 2.35 1 104 GLU -0.91 1.29 1 105 ASN -1.41 -0.54 1 106 PHE 5.29 -0.44 1 107 VAL -1.50 -0.69 1 108 LYS -3.20 1.52 1 109 LYS 3.57 -2.52 1 110 HIS -0.02 0.06 1 111 ASP -4.03 3.05 1 112 LYS -0.97 1.60 1 113 ALA -2.96 1.75 1 115 LEU -2.19 0.29 1 116 LEU -0.09 0.26 1 117 SER -0.51 -0.44 1 118 MET -1.59 1.25 1 119 ALA -0.35 2.05 1 120 ASN -2.23 0.63 1 121 ALA 3.13 -1.50 1 124 ASN -0.90 -0.32 1 125 THR 2.57 0.80 1 126 ASN -2.58 2.69 1 128 SER -0.27 3.41 1 129 GLN -5.99 4.27 1 130 PHE -6.89 4.55 1 131 PHE -4.56 2.71 1 132 ILE -1.25 1.21 1 133 THR 1.46 -1.50 1 134 THR -3.92 2.75 1 135 VAL 5.23 -2.29 1 139 TRP 2.68 -2.77 1 140 LEU 3.60 -1.33 1 141 ASP -2.01 2.63 1 143 LYS -3.24 3.02 1 144 HIS 1.52 -0.37 1 145 VAL -5.91 6.38 1 146 VAL -4.74 3.58 1 147 PHE -6.94 4.72 1 149 GLU 0.62 0.47 1 150 VAL 1.39 -0.39 1 151 THR -2.60 3.68 1 152 LYS 4.43 -2.53 1 154 MET 5.13 -2.37 1 155 ASP 4.84 -3.14 1 156 ILE 7.37 -1.55 1 157 VAL 4.67 -2.38 1 158 LYS 4.38 -1.18 1 159 ALA 6.44 -0.63 1 160 ILE 1.90 0.82 1 161 GLU 3.20 -0.16 1 162 SER 2.27 0.13 1 163 TYR -5.57 4.48 1 165 THR 3.97 -0.49 1 166 ALA 0.42 0.81 1 167 SER 0.10 0.14 1 169 LYS 0.30 0.52 1 171 ARG -5.84 4.52 1 172 ALA -0.46 0.47 1 173 GLU -0.93 0.41 1 174 ILE -6.13 3.95 1 175 VAL 3.94 -1.82 1 176 ILE 1.62 0.96 1 177 GLU -6.17 4.58 1 178 GLU -5.84 4.59 1 179 ALA -4.44 3.47 1 181 GLU -0.85 1.58 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.31 _LACS_plot.Line_1_terminator_val_y_1 0.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _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 7.36 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 175 VAL 3.94 0.75 0 11 ARG 0.86 -0.33 1 12 LEU 0.38 -0.10 1 13 PHE -0.41 -0.36 1 14 SER -0.55 -0.13 1 15 ASN -0.13 -0.85 1 16 SER 0.21 -0.27 1 17 ALA 0.14 -0.02 1 18 SER 0.05 0.03 1 19 ARG 0.23 -0.04 1 20 LEU -0.25 -0.02 1 22 LYS 0.00 -0.06 1 23 LYS -2.99 1.08 1 24 VAL -7.31 1.24 1 25 PHE -5.29 1.41 1 26 PHE -5.42 0.79 1 29 ALA -1.95 0.21 1 30 VAL 2.43 -0.33 1 31 ASN -0.77 0.09 1 33 THR 1.08 0.26 1 35 ILE -3.18 1.07 1 37 ARG -2.88 0.19 1 38 ILE -4.15 0.55 1 39 GLU -5.02 0.85 1 40 PHE -5.06 0.52 1 41 GLU -3.03 0.24 1 42 LEU -1.84 0.77 1 43 TYR 3.39 -0.83 1 44 ASP 3.13 -0.26 1 45 ASN -0.49 0.01 1 46 VAL 5.30 -0.35 1 49 LYS 6.68 -0.26 1 50 THR 3.76 -0.37 1 51 ALA 3.23 -0.01 1 52 GLU 3.05 -0.84 1 53 ASN 3.19 -0.53 1 54 PHE 5.66 -0.78 1 55 ARG 2.65 -0.42 1 56 ALA 4.91 0.40 1 57 LEU 2.02 -0.02 1 59 THR 1.90 -0.30 1 61 GLU 1.26 -0.09 1 62 LYS -2.71 0.14 1 64 TRP -1.15 -0.26 1 66 TYR 5.02 -0.77 1 67 LYS 2.56 0.09 1 71 PHE -1.44 -0.06 1 72 HIS -3.12 0.63 1 73 ARG -3.28 0.19 1 74 ILE 3.46 -0.64 1 77 ASP 0.69 0.44 1 78 PHE -2.53 0.67 1 79 MET -3.65 0.08 1 80 ILE -2.92 0.84 1 81 GLN 2.07 -0.31 1 84 ASP 4.59 0.20 1 85 THR 5.74 -0.12 1 87 LEU 1.04 0.23 1 88 THR 2.00 -0.98 1 89 ASN 1.38 -0.18 1 91 PHE -2.85 0.30 1 94 LYS -4.59 0.35 1 95 SER 4.35 -0.02 1 96 ILE -0.87 0.04 1 97 TYR 2.30 -0.52 1 99 SER -3.13 0.96 1 100 LYS -4.67 0.39 1 101 PHE -0.42 -0.59 1 102 ALA -0.06 -0.52 1 103 ASP 2.18 -0.63 1 104 GLU -0.91 -0.73 1 105 ASN 5.29 -0.66 1 107 VAL -1.50 0.25 1 108 LYS -3.20 0.12 1 109 LYS 3.57 -0.25 1 110 HIS -0.02 -0.21 1 111 ASP -4.03 0.18 1 112 LYS -0.97 -0.77 1 113 ALA -2.96 0.44 1 115 LEU -2.19 -0.04 1 116 LEU -0.51 0.74 1 118 MET -1.59 0.15 1 119 ALA -0.35 -0.41 1 120 ASN -2.23 0.40 1 121 ALA 3.13 -0.77 1 124 ASN -0.90 0.24 1 125 THR 2.57 -0.58 1 126 ASN -0.27 0.27 1 129 GLN -5.99 1.12 1 130 PHE -6.89 0.30 1 131 PHE -4.56 1.11 1 132 ILE -1.25 0.68 1 133 THR 1.46 0.12 1 134 THR 5.23 -0.12 1 139 TRP 2.68 -0.11 1 140 LEU 3.60 0.43 1 141 ASP -2.01 -0.30 1 143 LYS 1.52 0.03 1 145 VAL -4.74 0.53 1 147 PHE -6.94 0.90 1 149 GLU 0.62 -0.17 1 150 VAL 1.39 0.01 1 151 THR -2.60 0.01 1 152 LYS 4.43 -0.12 1 154 MET 5.13 -0.48 1 155 ASP 4.84 -0.47 1 156 ILE 7.37 -0.93 1 157 VAL 4.67 -0.21 1 158 LYS 4.38 -0.23 1 159 ALA 6.44 -0.64 1 160 ILE 1.90 -0.90 1 161 GLU 3.20 -0.20 1 162 SER 2.27 -0.15 1 163 TYR -5.57 0.29 1 165 THR 3.97 -0.49 1 166 ALA 0.42 -0.21 1 167 SER 0.30 0.03 1 171 ARG -5.84 0.12 1 172 ALA -0.46 -0.06 1 173 GLU -0.93 0.97 1 174 ILE -6.13 0.32 1 176 ILE 1.62 -0.19 1 177 GLU -6.17 0.24 1 178 GLU -5.84 0.13 1 179 ALA -4.44 0.66 1 181 GLU -0.85 -0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25832_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.31 _LACS_plot.Line_1_terminator_val_y_1 -2.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 7.36 _LACS_plot.Line_2_terminator_val_y_2 1.97 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 VAL 5.30 5.47 0 46 VAL -1.42 -5.63 0 74 ILE -5.49 -6.19 0 10 SER 0.33 -0.13 1 11 ARG 0.86 -0.05 1 12 LEU 0.38 -0.33 1 13 PHE -0.41 0.11 1 14 SER -0.55 -0.27 1 15 ASN -0.13 0.42 1 16 SER 0.21 -0.01 1 17 ALA 0.14 0.16 1 18 SER 0.05 -0.14 1 19 ARG 0.23 -0.31 1 20 LEU -0.25 0.27 1 22 LYS 0.00 -0.31 1 23 LYS -2.99 0.25 1 24 VAL -7.31 -2.38 1 25 PHE -5.29 -2.49 1 26 PHE -1.59 -2.68 1 27 ASP -5.42 -2.12 1 29 ALA -1.95 -0.29 1 30 VAL 2.43 0.81 1 31 ASN -0.77 -0.78 1 33 THR 2.65 1.37 1 34 LYS 1.08 -1.21 1 35 ILE -3.18 -1.02 1 37 ARG -2.88 -1.47 1 38 ILE -4.15 -1.47 1 39 GLU -5.02 -0.25 1 40 PHE -5.06 -1.67 1 41 GLU -3.03 0.55 1 42 LEU -1.84 2.00 1 43 TYR 3.39 -1.15 1 44 ASP 3.13 0.30 1 45 ASN -0.49 -0.27 1 49 LYS 6.68 2.94 1 50 THR 3.76 0.26 1 51 ALA 3.23 0.88 1 52 GLU 3.05 -0.80 1 53 ASN 3.19 2.43 1 54 PHE 5.66 1.82 1 55 ARG 2.65 3.96 1 56 ALA 4.91 2.33 1 57 LEU 2.02 3.51 1 59 THR 1.90 0.14 1 61 GLU 1.26 0.51 1 62 LYS -2.71 -3.13 1 64 TRP -1.15 0.07 1 66 TYR 5.02 1.06 1 67 LYS 2.56 -1.07 1 71 PHE -1.44 0.74 1 72 HIS -3.12 -3.11 1 73 ARG -3.28 -2.92 1 75 ILE 3.46 -2.87 1 77 ASP 0.69 -2.19 1 78 PHE -2.53 -3.42 1 79 MET -3.65 -2.97 1 80 ILE -2.92 -0.89 1 81 GLN 2.07 -0.44 1 84 ASP 4.59 0.65 1 85 THR 0.42 -0.66 1 86 ASP 5.74 -0.03 1 87 LEU 1.04 1.31 1 88 THR 2.00 -1.31 1 89 ASN 1.38 0.80 1 91 PHE -2.85 -1.16 1 94 LYS -4.59 1.87 1 95 SER 4.35 -0.06 1 96 ILE -0.87 -0.13 1 97 TYR 2.30 -0.51 1 99 SER -3.13 -0.19 1 100 LYS -4.67 -1.11 1 101 PHE -0.42 1.14 1 102 ALA 2.18 -0.04 1 104 GLU -0.91 -4.28 1 105 ASN 5.29 2.24 1 107 VAL -1.50 -0.86 1 108 LYS -3.20 0.71 1 109 LYS 3.57 4.33 1 110 HIS -0.02 -0.45 1 111 ASP -4.03 -1.91 1 112 LYS -0.97 -0.91 1 113 ALA -2.96 -1.83 1 115 LEU -2.19 -2.73 1 116 LEU -0.09 -0.26 1 117 SER -0.51 2.00 1 118 MET -1.59 -1.77 1 119 ALA -0.35 -1.37 1 120 ASN -2.23 -0.71 1 121 ALA 3.13 -0.14 1 124 ASN -0.90 -0.96 1 125 THR 2.57 -0.98 1 126 ASN -2.58 3.13 1 128 SER -0.27 -0.41 1 129 GLN -5.99 -3.98 1 130 PHE -6.89 -2.52 1 131 PHE -4.56 1.75 1 132 ILE -1.25 2.50 1 133 THR 1.46 -0.94 1 134 THR 5.23 0.64 1 139 TRP 2.68 -0.20 1 140 LEU 3.60 2.31 1 141 ASP -2.01 -0.92 1 143 LYS -3.24 0.94 1 144 HIS 1.52 0.08 1 145 VAL -5.91 1.67 1 146 VAL -4.74 -2.70 1 147 PHE -6.94 -2.07 1 149 GLU 0.62 1.14 1 150 VAL 1.39 0.41 1 151 THR -2.60 -1.76 1 152 LYS 4.43 1.80 1 154 MET 5.13 2.48 1 155 ASP 4.84 1.99 1 156 ILE 7.37 -0.49 1 157 VAL 4.67 2.96 1 158 LYS 4.38 3.47 1 159 ALA 6.44 1.39 1 160 ILE 1.90 1.24 1 161 GLU 3.20 0.79 1 162 SER 2.27 -0.13 1 163 TYR -5.57 1.02 1 165 THR 3.97 1.67 1 166 ALA 0.42 1.25 1 167 SER 0.10 0.90 1 169 LYS 0.30 -1.26 1 171 ARG -5.84 -3.16 1 172 ALA -0.46 -1.54 1 173 GLU -0.93 -1.16 1 174 ILE -6.13 -0.69 1 175 VAL 3.94 -2.95 1 176 ILE 1.62 -0.33 1 177 GLU -6.17 -3.76 1 178 GLU -5.84 -2.56 1 179 ALA -4.44 -0.97 1 181 GLU -0.85 1.44 1 stop_ save_