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 bmr18312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -3.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _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 8.20 _LACS_plot.Line_2_terminator_val_y_2 5.32 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 TYR -1.80 -5.40 0 10 TYR -6.80 -2.90 1 11 PHE -8.50 -4.70 1 12 ASP -0.70 0.80 1 13 ILE -4.30 -3.90 1 14 SER -5.10 -2.30 1 15 ILE -2.10 -0.50 1 16 ASP 2.10 1.50 1 17 ASN 2.80 1.80 1 18 GLN -2.50 -1.70 1 19 ASN 3.10 2.40 1 20 ALA -2.30 -0.80 1 22 ARG -5.20 -1.60 1 23 ILE -3.40 -1.10 1 24 VAL -2.70 -1.60 1 25 PHE -5.30 -2.30 1 26 LYS -4.80 -2.00 1 27 LEU -0.80 -0.90 1 29 ASP 2.80 4.10 1 30 ASP 3.00 1.30 1 31 VAL -0.40 1.80 1 32 VAL -1.40 -2.70 1 34 LEU 4.70 3.00 1 35 THR 6.70 5.50 1 36 ALA 3.10 3.30 1 37 LYS 4.00 3.40 1 38 ASN 2.90 3.80 1 39 PHE 2.60 3.50 1 40 ARG 5.30 4.50 1 41 GLU 3.40 2.50 1 42 LEU 3.30 2.50 1 43 ALA 2.40 1.90 1 44 LYS 0.90 1.10 1 45 ASN -0.50 -1.20 1 47 ALA 1.90 1.10 1 49 GLN -2.20 -1.50 1 51 TYR 1.00 -0.10 1 52 THR 7.10 5.40 1 54 SER -1.50 -0.10 1 55 THR -4.80 -1.40 1 56 PHE 1.60 0.70 1 57 HIS -0.70 2.10 1 58 ARG -3.30 -1.00 1 59 ILE -4.40 0.10 1 60 ILE -3.60 -2.00 1 62 GLN 5.60 1.90 1 63 PHE 0.70 0.10 1 64 MET -0.40 -0.70 1 65 LEU -2.00 -0.20 1 66 GLN -2.40 -1.30 1 69 ASP 0.00 -2.70 1 70 PHE -1.30 -1.40 1 71 THR 1.10 -0.10 1 72 ASN -0.70 -0.30 1 73 HIS -0.50 2.40 1 74 ASN -0.50 -0.60 1 76 THR -0.30 0.80 1 79 ARG -2.10 -0.30 1 80 SER -5.10 -0.70 1 81 ILE 3.50 2.00 1 82 TYR -0.50 -1.10 1 84 ASN 7.20 1.50 1 85 LYS -3.80 -1.80 1 86 PHE -4.70 -2.30 1 87 LYS 0.20 0.40 1 88 ASP 0.40 0.40 1 89 GLU 2.20 4.10 1 90 ASN -1.00 0.00 1 91 PHE 0.60 -0.50 1 92 GLN 3.70 3.50 1 93 LEU 3.60 3.40 1 94 LYS -2.90 -1.80 1 95 HIS 4.60 1.30 1 96 THR 0.80 0.90 1 97 LYS -0.30 -0.30 1 100 LEU 4.20 0.30 1 101 LEU 0.40 0.10 1 102 SER -4.40 -3.30 1 103 MET 1.60 -0.30 1 104 ALA -1.20 -1.10 1 105 ASN -0.80 0.80 1 106 ALA -2.30 -2.20 1 109 HIS 1.70 1.00 1 110 THR -0.90 -1.70 1 111 ASN 2.40 2.80 1 113 SER -3.20 -0.70 1 114 GLN 1.20 4.30 1 115 PHE -5.60 -2.20 1 116 PHE -6.50 -3.60 1 117 ILE -3.00 -1.30 1 118 THR -1.00 -0.10 1 119 THR 1.20 -0.70 1 120 VAL -7.50 -3.10 1 121 VAL 4.30 2.70 1 122 THR -2.10 -4.70 1 123 SER 3.70 2.70 1 124 TRP 4.80 2.10 1 125 LEU 1.90 -0.70 1 126 ASP 3.00 1.60 1 128 LYS -2.40 -0.10 1 129 HIS -2.90 -0.10 1 130 VAL 0.50 1.40 1 131 VAL 1.40 0.60 1 132 PHE -4.80 -1.50 1 134 GLU -6.80 -2.70 1 135 VAL 1.60 1.30 1 136 VAL -1.10 -0.60 1 137 GLU -4.30 -0.70 1 139 MET 4.50 1.50 1 140 ASP 4.70 2.30 1 141 VAL 5.80 3.90 1 142 VAL 8.20 5.70 1 143 LYS 4.70 2.10 1 144 LYS 3.90 3.50 1 145 VAL 6.00 4.30 1 146 GLU 2.00 2.40 1 147 ALA 1.80 1.10 1 148 VAL 0.50 -1.70 1 150 THR -5.50 -1.60 1 151 GLN 4.90 3.70 1 152 SER 0.60 1.00 1 154 LYS 0.30 0.10 1 156 SER 1.20 1.20 1 157 LYS -8.00 -2.60 1 158 VAL 2.30 1.20 1 159 VAL -0.60 -0.80 1 160 LYS -5.80 -1.70 1 161 ILE 0.90 -0.50 1 162 THR 3.00 1.80 1 163 ALA -3.50 -0.20 1 164 SER -5.20 -1.50 1 166 THR -3.20 -2.60 1 167 VAL 1.60 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 5.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.24 _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 8.20 _LACS_plot.Line_2_terminator_val_y_2 -2.88 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 TYR -1.80 -3.60 0 10 TYR -6.80 3.90 1 11 PHE -8.50 3.80 1 12 ASP -0.70 1.50 1 13 ILE -4.30 0.40 1 14 SER -5.10 2.80 1 15 ILE -2.10 1.60 1 16 ASP 2.10 -0.60 1 17 ASN 2.80 -1.00 1 18 GLN -2.50 0.80 1 19 ASN 3.10 -0.70 1 20 ALA -2.30 1.50 1 22 ARG -5.20 3.60 1 23 ILE -3.40 2.30 1 24 VAL -2.70 1.10 1 25 PHE -5.30 3.00 1 26 LYS -4.80 2.80 1 27 LEU -0.80 -0.10 1 29 ASP 2.80 1.30 1 30 ASP 3.00 -1.70 1 31 VAL -0.40 2.20 1 32 VAL -1.40 -1.30 1 34 LEU 4.70 -1.70 1 35 THR 6.70 -1.20 1 36 ALA 3.10 0.20 1 37 LYS 4.00 -0.60 1 38 ASN 2.90 0.90 1 39 PHE 2.60 0.90 1 40 ARG 5.30 -0.80 1 41 GLU 3.40 -0.90 1 42 LEU 3.30 -0.80 1 43 ALA 2.40 -0.50 1 44 LYS 0.90 0.20 1 45 ASN -0.50 -0.70 1 47 ALA 1.90 -0.80 1 49 GLN -2.20 0.70 1 51 TYR 1.00 -1.10 1 52 THR 7.10 -1.70 1 54 SER -1.50 1.40 1 55 THR -4.80 3.40 1 56 PHE 1.60 -0.90 1 57 HIS -0.70 2.80 1 58 ARG -3.30 2.30 1 59 ILE -4.40 4.50 1 60 ILE -3.60 1.60 1 62 GLN 5.60 -3.70 1 63 PHE 0.70 -0.60 1 64 MET -0.40 -0.30 1 65 LEU -2.00 1.80 1 66 GLN -2.40 1.10 1 69 ASP 0.00 -2.70 1 70 PHE -1.30 -0.10 1 71 THR 1.10 -1.20 1 72 ASN -0.70 0.40 1 73 HIS -0.50 2.90 1 74 ASN -0.50 -0.10 1 76 THR -0.30 1.10 1 79 ARG -2.10 1.80 1 80 SER -5.10 4.40 1 81 ILE 3.50 -1.50 1 82 TYR -0.50 -0.60 1 84 ASN 7.20 -5.70 1 85 LYS -3.80 2.00 1 86 PHE -4.70 2.40 1 87 LYS 0.20 0.20 1 88 ASP 0.40 0.00 1 89 GLU 2.20 1.90 1 90 ASN -1.00 1.00 1 91 PHE 0.60 -1.10 1 92 GLN 3.70 -0.20 1 93 LEU 3.60 -0.20 1 94 LYS -2.90 1.10 1 95 HIS 4.60 -3.30 1 96 THR 0.80 0.10 1 97 LYS -0.30 0.00 1 100 LEU 4.20 -3.90 1 101 LEU 0.40 -0.30 1 102 SER -4.40 1.10 1 103 MET 1.60 -1.90 1 104 ALA -1.20 0.10 1 105 ASN -0.80 1.60 1 106 ALA -2.30 0.10 1 109 HIS 1.70 -0.70 1 110 THR -0.90 -0.80 1 111 ASN 2.40 0.40 1 113 SER -3.20 2.50 1 114 GLN 1.20 3.10 1 115 PHE -5.60 3.40 1 116 PHE -6.50 2.90 1 117 ILE -3.00 1.70 1 118 THR -1.00 0.90 1 119 THR 1.20 -1.90 1 120 VAL -7.50 4.40 1 121 VAL 4.30 -1.60 1 122 THR -2.10 -2.60 1 123 SER 3.70 -1.00 1 124 TRP 4.80 -2.70 1 125 LEU 1.90 -2.60 1 126 ASP 3.00 -1.40 1 128 LYS -2.40 2.30 1 129 HIS -2.90 2.80 1 130 VAL 0.50 0.90 1 131 VAL 1.40 -0.80 1 132 PHE -4.80 3.30 1 134 GLU -6.80 4.10 1 135 VAL 1.60 -0.30 1 136 VAL -1.10 0.50 1 137 GLU -4.30 3.60 1 139 MET 4.50 -3.00 1 140 ASP 4.70 -2.40 1 141 VAL 5.80 -1.90 1 142 VAL 8.20 -2.50 1 143 LYS 4.70 -2.60 1 144 LYS 3.90 -0.40 1 145 VAL 6.00 -1.70 1 146 GLU 2.00 0.40 1 147 ALA 1.80 -0.70 1 148 VAL 0.50 -2.20 1 150 THR -5.50 3.90 1 151 GLN 4.90 -1.20 1 152 SER 0.60 0.40 1 154 LYS 0.30 -0.20 1 156 SER 1.20 0.00 1 157 LYS -8.00 5.40 1 158 VAL 2.30 -1.10 1 159 VAL -0.60 -0.20 1 160 LYS -5.80 4.10 1 161 ILE 0.90 -1.40 1 162 THR 3.00 -1.20 1 163 ALA -3.50 3.30 1 164 SER -5.20 3.70 1 166 THR -3.20 0.60 1 167 VAL 1.60 -0.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 0.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 8.20 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 PHE -5.60 -0.59 0 142 VAL 8.20 0.25 0 116 PHE -6.50 -0.59 0 45 ASN -0.50 -1.34 0 10 TYR -6.80 -0.21 1 11 PHE -8.50 0.93 1 12 ASP -0.70 0.99 1 13 ILE -4.30 1.25 1 14 SER -5.10 0.88 1 15 ILE -2.10 0.56 1 16 ASP 2.10 -0.25 1 17 ASN 2.80 -0.59 1 18 GLN -2.50 0.34 1 19 ASN 3.10 -0.24 1 20 ALA -2.30 0.32 1 22 ARG -5.20 1.32 1 23 ILE -3.40 0.36 1 24 VAL -2.70 0.67 1 25 PHE -5.30 0.74 1 26 LYS -4.80 0.36 1 27 LEU -0.80 0.40 1 28 TYR -1.80 0.82 1 29 ASP 2.80 -0.74 1 30 ASP 3.00 -0.30 1 31 VAL -0.40 -0.01 1 32 VAL -1.40 -1.03 1 34 LEU 4.70 -0.16 1 35 THR 6.70 -0.34 1 36 ALA 3.10 -0.21 1 37 LYS 4.00 -0.22 1 38 ASN 2.90 -0.75 1 39 PHE 2.60 -0.27 1 40 ARG 5.30 -0.66 1 41 GLU 3.40 -0.44 1 42 LEU 3.30 -0.62 1 43 ALA 2.40 -0.26 1 44 LYS 0.90 -0.10 1 47 ALA 1.90 -0.28 1 49 GLN -2.20 0.06 1 51 TYR 1.00 -0.16 1 52 THR 7.10 -0.79 1 54 SER -1.50 0.42 1 55 THR -4.80 1.40 1 56 PHE 1.60 0.35 1 57 HIS -0.70 -0.04 1 58 ARG -3.30 0.75 1 59 ILE -4.40 0.31 1 60 ILE -3.60 0.32 1 62 GLN 5.60 -0.71 1 63 PHE 0.70 0.42 1 64 MET -0.40 0.72 1 65 LEU -2.00 -0.92 1 66 GLN -2.40 1.11 1 69 ASP 0.00 -0.25 1 70 PHE -1.30 -0.11 1 71 THR 1.10 0.12 1 72 ASN -0.70 0.02 1 73 HIS -0.50 0.16 1 74 ASN -0.50 -0.07 1 76 THR -0.30 0.12 1 79 ARG -2.10 0.24 1 80 SER -5.10 0.55 1 81 ILE 3.50 -0.08 1 82 TYR -0.50 0.02 1 84 ASN 7.20 -0.19 1 85 LYS -3.80 1.13 1 86 PHE -4.70 0.50 1 87 LYS 0.20 -0.29 1 88 ASP 0.40 -0.35 1 89 GLU 2.20 -0.61 1 90 ASN -1.00 -0.56 1 91 PHE 0.60 -1.19 1 92 GLN 3.70 -0.45 1 93 LEU 3.60 0.29 1 94 LYS -2.90 0.22 1 95 HIS 4.60 -0.27 1 96 THR 0.80 0.07 1 97 LYS -0.30 0.30 1 100 LEU 4.20 0.03 1 102 SER -4.40 0.39 1 103 MET 1.60 1.06 1 104 ALA -1.20 0.40 1 105 ASN -0.80 -0.13 1 106 ALA -2.30 0.51 1 109 HIS 1.70 -0.49 1 110 THR -0.90 0.43 1 111 ASN 2.40 -0.53 1 113 SER -3.20 0.26 1 114 GLN 1.20 0.13 1 117 ILE -3.00 1.16 1 118 THR -1.00 0.34 1 119 THR 1.20 0.25 1 120 VAL -7.50 0.52 1 121 VAL 4.30 -0.72 1 122 THR -2.10 0.43 1 123 SER 3.70 -0.27 1 124 TRP 4.80 0.01 1 125 LEU 1.90 0.02 1 126 ASP 3.00 0.45 1 128 LYS -2.40 -0.28 1 129 HIS -2.90 0.13 1 130 VAL 0.50 0.24 1 131 VAL 1.40 0.24 1 132 PHE -4.80 0.70 1 134 GLU -6.80 0.97 1 135 VAL 1.60 -0.18 1 136 VAL -1.10 0.53 1 137 GLU -4.30 0.31 1 139 MET 4.50 -0.08 1 140 ASP 4.70 -0.39 1 141 VAL 5.80 -0.70 1 143 LYS 4.70 -0.14 1 144 LYS 3.90 -0.28 1 145 VAL 6.00 0.48 1 146 GLU 2.00 -0.94 1 147 ALA 1.80 -0.11 1 148 VAL 0.50 0.56 1 150 THR -5.50 0.67 1 151 GLN 4.90 -0.21 1 152 SER 0.60 -0.09 1 156 SER 1.20 -0.06 1 157 LYS -8.00 0.29 1 158 VAL 2.30 -0.16 1 159 VAL -0.60 0.97 1 160 LYS -5.80 0.71 1 161 ILE 0.90 0.60 1 162 THR 3.00 -0.19 1 163 ALA -3.50 0.33 1 164 SER -5.20 0.48 1 166 THR -3.20 1.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18312_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -2.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 8.20 _LACS_plot.Line_2_terminator_val_y_2 1.46 _LACS_plot.Y_axis_chem_shift_offset 0.33 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 11 PHE -8.50 -0.20 0 34 LEU 4.70 4.40 0 55 THR -4.80 2.60 0 62 GLN 5.60 -2.80 0 167 VAL 1.60 4.70 0 10 TYR -6.80 -2.60 1 12 ASP -0.70 -0.50 1 13 ILE -4.30 -0.30 1 14 SER -5.10 -1.40 1 15 ILE -2.10 0.70 1 16 ASP 2.10 -1.20 1 17 ASN 2.80 -1.30 1 18 GLN -2.50 -0.10 1 19 ASN 3.10 0.20 1 20 ALA -2.30 -1.90 1 22 ARG -5.20 -1.10 1 23 ILE -3.40 -1.90 1 24 VAL -2.70 -1.80 1 25 PHE -5.30 -1.10 1 26 LYS -4.80 -1.80 1 27 LEU -0.80 -2.70 1 28 TYR -1.80 1.40 1 29 ASP 2.80 -1.00 1 30 ASP 3.00 0.00 1 31 VAL -0.40 -0.20 1 32 VAL -1.40 -2.90 1 35 THR 6.70 2.60 1 36 ALA 3.10 -3.50 1 37 LYS 4.00 1.00 1 38 ASN 2.90 -0.80 1 39 PHE 2.60 1.00 1 40 ARG 5.30 1.80 1 41 GLU 3.40 3.30 1 42 LEU 3.30 -3.10 1 43 ALA 2.40 0.90 1 44 LYS 0.90 0.20 1 45 ASN -0.50 -0.50 1 47 ALA 1.90 0.60 1 49 GLN -2.20 -1.80 1 51 TYR 1.00 2.50 1 52 THR 7.10 -0.40 1 54 SER -1.50 -2.90 1 56 PHE 1.60 -0.70 1 57 HIS -0.70 0.60 1 58 ARG -3.30 -3.00 1 59 ILE -4.40 -3.00 1 60 ILE -3.60 -1.70 1 63 PHE 0.70 -2.40 1 64 MET -0.40 -3.90 1 65 LEU -2.00 -0.80 1 66 GLN -2.40 -1.70 1 69 ASP 0.00 -0.30 1 70 PHE -1.30 -2.30 1 71 THR 1.10 -0.50 1 72 ASN -0.70 0.10 1 73 HIS -0.50 1.00 1 74 ASN -0.50 0.70 1 76 THR -0.30 1.40 1 79 ARG -2.10 -3.00 1 80 SER -5.10 2.00 1 81 ILE 3.50 0.20 1 82 TYR -0.50 -0.40 1 84 ASN 7.20 -0.10 1 85 LYS -3.80 -0.60 1 86 PHE -4.70 -1.20 1 87 LYS 0.20 1.20 1 88 ASP 0.40 0.30 1 89 GLU 2.20 0.30 1 90 ASN -1.00 -4.40 1 91 PHE 0.60 1.70 1 92 GLN 3.70 1.40 1 93 LEU 3.60 -0.20 1 94 LYS -2.90 -0.40 1 95 HIS 4.60 2.90 1 96 THR 0.80 -0.60 1 97 LYS -0.30 -2.50 1 100 LEU 4.20 -1.40 1 101 LEU 0.40 -1.60 1 102 SER -4.40 0.60 1 103 MET 1.60 0.90 1 104 ALA -1.20 -2.20 1 105 ASN -0.80 -1.30 1 106 ALA -2.30 -0.90 1 109 HIS 1.70 1.90 1 110 THR -0.90 -0.90 1 111 ASN 2.40 -1.10 1 113 SER -3.20 1.60 1 114 GLN 1.20 -1.10 1 115 PHE -5.60 -4.20 1 116 PHE -6.50 -0.20 1 117 ILE -3.00 1.60 1 118 THR -1.00 2.50 1 119 THR 1.20 -0.50 1 120 VAL -7.50 -1.00 1 121 VAL 4.30 -0.50 1 122 THR -2.10 2.40 1 123 SER 3.70 2.90 1 124 TRP 4.80 0.30 1 125 LEU 1.90 -0.50 1 126 ASP 3.00 2.00 1 128 LYS -2.40 -1.50 1 129 HIS -2.90 -0.30 1 130 VAL 0.50 -1.00 1 131 VAL 1.40 0.90 1 132 PHE -4.80 -2.90 1 134 GLU -6.80 -2.10 1 135 VAL 1.60 0.70 1 136 VAL -1.10 -0.60 1 137 GLU -4.30 -1.10 1 139 MET 4.50 1.80 1 140 ASP 4.70 2.30 1 141 VAL 5.80 1.90 1 142 VAL 8.20 1.60 1 143 LYS 4.70 -2.30 1 144 LYS 3.90 2.20 1 145 VAL 6.00 1.30 1 146 GLU 2.00 -2.30 1 147 ALA 1.80 1.30 1 148 VAL 0.50 0.20 1 150 THR -5.50 1.00 1 151 GLN 4.90 1.20 1 152 SER 0.60 -2.40 1 154 LYS 0.30 0.60 1 156 SER 1.20 -0.70 1 157 LYS -8.00 -2.70 1 158 VAL 2.30 0.50 1 159 VAL -0.60 -1.80 1 160 LYS -5.80 -2.00 1 161 ILE 0.90 0.10 1 162 THR 3.00 0.60 1 163 ALA -3.50 -3.90 1 164 SER -5.20 -2.10 1 166 THR -3.20 -0.30 1 stop_ save_