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 bmr26638_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.79 _LACS_plot.Line_1_terminator_val_y_1 -1.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 8.94 _LACS_plot.Line_2_terminator_val_y_2 7.02 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ASN -4.51 -1.11 0 12 HIS 4.04 6.02 0 10 GLU 4.09 4.46 1 11 LYS 3.15 2.95 1 13 ALA 3.20 3.02 1 14 ALA 3.28 2.66 1 15 GLU 1.80 1.75 1 16 PHE 3.30 3.55 1 17 GLN 3.68 3.68 1 18 LYS 3.33 2.92 1 19 THR 5.09 3.93 1 20 PHE 4.84 4.28 1 21 SER 4.27 3.44 1 22 GLU 3.20 2.73 1 23 GLN 4.35 2.79 1 24 LEU 3.77 1.67 1 25 ASN 2.41 1.73 1 26 ALA 2.06 1.13 1 27 PHE -0.07 -0.92 1 28 THR 3.31 2.66 1 29 ASN 0.30 0.08 1 30 SER 1.01 0.97 1 31 LYS 0.37 0.32 1 32 ASP 0.38 -0.09 1 33 THR -3.69 -1.89 1 34 LYS 4.60 3.61 1 35 GLU 4.90 3.92 1 36 PHE 3.61 3.79 1 37 ASN 4.82 4.29 1 38 THR 6.29 5.24 1 39 ALA 3.94 2.67 1 40 LEU 2.36 2.83 1 41 LYS 4.83 4.07 1 42 GLU 3.25 2.65 1 45 ASP 4.36 3.42 1 47 VAL 6.88 5.18 1 48 LEU 4.80 3.66 1 49 GLN 4.82 3.55 1 50 GLN 3.11 1.75 1 51 LEU 3.84 3.81 1 52 ASN 3.96 3.16 1 53 ALA 4.37 2.96 1 54 LEU 4.48 3.80 1 55 ALA 4.41 2.99 1 56 SER 4.54 3.42 1 58 LEU 4.77 2.54 1 59 GLN 4.19 3.04 1 60 LYS 3.91 3.03 1 61 ALA 2.62 1.30 1 62 LEU 3.04 2.96 1 63 ASN 2.67 2.49 1 64 ASP -1.58 -0.09 1 65 ALA -4.79 -1.60 1 68 LYS 3.36 2.41 1 69 ALA 3.31 2.74 1 70 LYS 4.47 3.67 1 71 GLU 2.77 2.61 1 72 ALA 3.42 2.52 1 73 LEU 3.02 3.81 1 74 GLU 2.98 2.67 1 75 GLN 4.06 3.21 1 77 ARG 6.81 5.27 1 78 THR 5.94 4.91 1 79 ASN 5.12 3.00 1 80 LEU 3.71 2.94 1 81 GLU 3.81 2.98 1 82 ARG 4.68 3.48 1 83 THR 6.48 5.29 1 84 ALA 3.91 2.87 1 85 GLU 3.28 2.65 1 86 GLU 2.87 2.33 1 87 LEU 2.04 1.95 1 88 ARG 1.54 1.95 1 89 ARG 1.13 0.85 1 90 ALA -0.06 -0.06 1 91 HIS 0.01 0.65 1 93 ASP 1.28 0.96 1 94 VAL 1.02 0.68 1 95 GLU 0.68 0.83 1 96 ARG 0.49 0.02 1 97 GLN 0.43 0.43 1 98 ALA 3.39 2.69 1 100 ALA 2.40 2.10 1 101 LEU 2.74 2.89 1 102 ARG 5.79 4.35 1 103 ASP 3.86 3.36 1 104 ARG 4.10 3.76 1 105 LEU 3.59 3.55 1 106 GLN 5.18 4.59 1 107 THR 5.82 4.90 1 108 ALA 2.68 3.01 1 109 VAL 6.81 5.59 1 110 GLN 5.22 4.53 1 111 ALA 3.12 2.72 1 112 THR 7.68 5.89 1 113 VAL 6.60 5.36 1 114 GLN 4.65 3.84 1 115 GLU 3.09 2.47 1 117 GLN 4.92 4.34 1 118 LYS 4.20 3.39 1 119 LEU 4.68 2.85 1 120 ALA 2.72 2.99 1 121 LYS 3.77 3.20 1 122 THR 6.07 4.78 1 123 VAL 5.94 4.49 1 125 ALA 0.51 0.52 1 126 ASN -1.64 -0.02 1 127 LEU 0.93 0.98 1 128 GLU 0.48 0.63 1 129 GLU 1.88 1.69 1 130 THR 0.48 0.42 1 131 ASN -0.24 0.13 1 132 LYS 2.89 2.30 1 133 LYS 1.50 1.32 1 134 LEU 3.05 2.92 1 135 ALA 8.94 7.04 1 137 GLN 2.99 3.37 1 138 ILE 4.93 4.14 1 139 LYS 2.40 2.59 1 140 SER 4.52 3.52 1 141 ALA 3.32 2.47 1 142 TYR 3.90 4.11 1 143 ASP 4.51 2.97 1 144 ASP 4.06 3.05 1 145 PHE 5.53 5.00 1 146 VAL 5.99 4.10 1 147 LYS 4.26 3.49 1 148 GLN 3.18 2.07 1 149 ALA 5.06 3.19 1 150 GLN 4.04 3.45 1 151 GLU 3.04 2.06 1 152 VAL 6.39 4.81 1 153 GLN 6.37 4.90 1 154 LYS 4.49 3.76 1 155 LYS 3.96 3.18 1 156 LEU 4.11 2.96 1 157 HIS 5.15 5.11 1 158 GLU 3.03 2.58 1 159 ALA 1.93 1.87 1 160 ALA 1.14 1.07 1 161 SER 0.70 0.85 1 162 LYS 0.58 0.26 1 163 GLN 0.70 1.76 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26638_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.79 _LACS_plot.Line_1_terminator_val_y_1 3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 8.94 _LACS_plot.Line_2_terminator_val_y_2 -1.92 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ASN -4.51 3.40 0 12 HIS 4.04 1.98 0 10 GLU 4.09 0.37 1 11 LYS 3.15 -0.20 1 13 ALA 3.20 -0.18 1 14 ALA 3.28 -0.62 1 15 GLU 1.80 -0.05 1 16 PHE 3.30 0.25 1 17 GLN 3.68 0.00 1 18 LYS 3.33 -0.41 1 19 THR 5.09 -1.16 1 20 PHE 4.84 -0.56 1 21 SER 4.27 -0.83 1 22 GLU 3.20 -0.47 1 23 GLN 4.35 -1.56 1 24 LEU 3.77 -2.10 1 25 ASN 2.41 -0.68 1 26 ALA 2.06 -0.93 1 27 PHE -0.07 -0.85 1 28 THR 3.31 -0.65 1 29 ASN 0.30 -0.22 1 30 SER 1.01 -0.04 1 31 LYS 0.37 -0.05 1 32 ASP 0.38 -0.47 1 33 THR -3.69 1.80 1 34 LYS 4.60 -0.99 1 35 GLU 4.90 -0.98 1 36 PHE 3.61 0.18 1 37 ASN 4.82 -0.53 1 38 THR 6.29 -1.05 1 39 ALA 3.94 -1.27 1 40 LEU 2.36 0.47 1 41 LYS 4.83 -0.76 1 42 GLU 3.25 -0.60 1 45 ASP 4.36 -0.94 1 47 VAL 6.88 -1.70 1 48 LEU 4.80 -1.14 1 49 GLN 4.82 -1.27 1 50 GLN 3.11 -1.36 1 51 LEU 3.84 -0.03 1 52 ASN 3.96 -0.80 1 53 ALA 4.37 -1.41 1 54 LEU 4.48 -0.68 1 55 ALA 4.41 -1.42 1 56 SER 4.54 -1.12 1 58 LEU 4.77 -2.23 1 59 GLN 4.19 -1.15 1 60 LYS 3.91 -0.88 1 61 ALA 2.62 -1.32 1 62 LEU 3.04 -0.08 1 63 ASN 2.67 -0.18 1 64 ASP -1.58 1.49 1 65 ALA -4.79 3.19 1 68 LYS 3.36 -0.95 1 69 ALA 3.31 -0.57 1 70 LYS 4.47 -0.80 1 71 GLU 2.77 -0.16 1 72 ALA 3.42 -0.90 1 73 LEU 3.02 0.79 1 74 GLU 2.98 -0.31 1 75 GLN 4.06 -0.85 1 77 ARG 6.81 -1.54 1 78 THR 5.94 -1.03 1 79 ASN 5.12 -2.12 1 80 LEU 3.71 -0.77 1 81 GLU 3.81 -0.83 1 82 ARG 4.68 -1.20 1 83 THR 6.48 -1.19 1 84 ALA 3.91 -1.04 1 85 GLU 3.28 -0.63 1 86 GLU 2.87 -0.54 1 87 LEU 2.04 -0.09 1 88 ARG 1.54 0.41 1 89 ARG 1.13 -0.28 1 90 ALA -0.06 0.00 1 91 HIS 0.01 0.64 1 93 ASP 1.28 -0.32 1 94 VAL 1.02 -0.34 1 95 GLU 0.68 0.15 1 96 ARG 0.49 -0.47 1 97 GLN 0.43 0.00 1 98 ALA 3.39 -0.70 1 100 ALA 2.40 -0.30 1 101 LEU 2.74 0.15 1 102 ARG 5.79 -1.44 1 103 ASP 3.86 -0.50 1 104 ARG 4.10 -0.34 1 105 LEU 3.59 -0.04 1 106 GLN 5.18 -0.59 1 107 THR 5.82 -0.92 1 108 ALA 2.68 0.33 1 109 VAL 6.81 -1.22 1 110 GLN 5.22 -0.69 1 111 ALA 3.12 -0.40 1 112 THR 7.68 -1.79 1 113 VAL 6.60 -1.24 1 114 GLN 4.65 -0.81 1 115 GLU 3.09 -0.62 1 117 GLN 4.92 -0.58 1 118 LYS 4.20 -0.81 1 119 LEU 4.68 -1.83 1 120 ALA 2.72 0.27 1 121 LYS 3.77 -0.57 1 122 THR 6.07 -1.29 1 123 VAL 5.94 -1.45 1 125 ALA 0.51 0.01 1 126 ASN -1.64 1.62 1 127 LEU 0.93 0.05 1 128 GLU 0.48 0.15 1 129 GLU 1.88 -0.19 1 130 THR 0.48 -0.06 1 131 ASN -0.24 0.37 1 132 LYS 2.89 -0.59 1 133 LYS 1.50 -0.18 1 134 LEU 3.05 -0.13 1 135 ALA 8.94 -1.90 1 137 GLN 2.99 0.38 1 138 ILE 4.93 -0.79 1 139 LYS 2.40 0.19 1 140 SER 4.52 -1.00 1 141 ALA 3.32 -0.85 1 142 TYR 3.90 0.21 1 143 ASP 4.51 -1.54 1 144 ASP 4.06 -1.01 1 145 PHE 5.53 -0.53 1 146 VAL 5.99 -1.89 1 147 LYS 4.26 -0.77 1 148 GLN 3.18 -1.11 1 149 ALA 5.06 -1.87 1 150 GLN 4.04 -0.59 1 151 GLU 3.04 -0.98 1 152 VAL 6.39 -1.58 1 153 GLN 6.37 -1.47 1 154 LYS 4.49 -0.73 1 155 LYS 3.96 -0.78 1 156 LEU 4.11 -1.15 1 157 HIS 5.15 -0.04 1 158 GLU 3.03 -0.45 1 159 ALA 1.93 -0.06 1 160 ALA 1.14 -0.07 1 161 SER 0.70 0.15 1 162 LYS 0.58 -0.32 1 163 GLN 0.70 1.06 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26638_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.79 _LACS_plot.Line_1_terminator_val_y_1 0.40 _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 0.17 _LACS_plot.Line_2_terminator_val_x_2 8.94 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _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 66 ASN -4.51 0.23 0 65 ALA -4.79 0.44 0 146 VAL 5.99 -1.09 0 10 GLU 4.09 -0.65 1 11 LYS 3.15 -0.16 1 12 HIS 4.04 -0.50 1 13 ALA 3.20 0.17 1 14 ALA 3.28 -0.18 1 15 GLU 1.80 -0.12 1 16 PHE 3.30 -0.32 1 17 GLN 3.68 -0.32 1 18 LYS 3.33 -0.16 1 20 PHE 4.84 -0.62 1 21 SER 4.27 -0.39 1 22 GLU 3.20 -0.39 1 23 GLN 4.35 -0.42 1 24 LEU 3.77 -0.23 1 25 ASN 2.41 -0.24 1 26 ALA 2.06 -0.18 1 27 PHE -0.07 0.28 1 28 THR 3.31 -0.28 1 29 ASN 0.30 0.07 1 30 SER 1.01 -0.14 1 31 LYS 0.37 -0.11 1 32 ASP 0.38 0.16 1 33 THR -3.69 0.23 1 34 LYS 4.60 -0.16 1 35 GLU 4.90 -0.31 1 36 PHE 3.61 -0.51 1 37 ASN 4.82 -0.57 1 38 THR 6.29 -0.47 1 39 ALA 3.94 -0.17 1 40 LEU 2.36 -0.61 1 41 LYS 4.83 -0.40 1 42 GLU 3.25 -0.23 1 45 ASP 4.36 -0.16 1 47 VAL 6.88 -0.61 1 48 LEU 4.80 -0.25 1 49 GLN 4.82 -0.39 1 50 GLN 3.11 -0.23 1 51 LEU 3.84 -0.19 1 52 ASN 3.96 -0.27 1 53 ALA 4.37 -0.10 1 54 LEU 4.48 -0.21 1 55 ALA 4.41 -0.48 1 56 SER 4.54 0.17 1 58 LEU 4.77 -0.30 1 59 GLN 4.19 -0.42 1 60 LYS 3.91 -0.29 1 61 ALA 2.62 -0.10 1 62 LEU 3.04 -0.52 1 63 ASN 2.67 -0.27 1 64 ASP -1.58 0.28 1 68 LYS 3.36 -0.22 1 69 ALA 3.31 -0.35 1 70 LYS 4.47 -0.64 1 71 GLU 2.77 -0.32 1 72 ALA 3.42 -0.13 1 73 LEU 3.02 -0.49 1 74 GLU 2.98 -0.17 1 75 GLN 4.06 -0.28 1 77 ARG 6.81 -0.61 1 78 THR 5.94 -0.36 1 79 ASN 5.12 -0.27 1 80 LEU 3.71 -0.23 1 81 GLU 3.81 -0.22 1 82 ARG 4.68 -0.19 1 83 THR 6.48 -0.45 1 84 ALA 3.91 -0.44 1 85 GLU 3.28 -0.35 1 86 GLU 2.87 -0.30 1 87 LEU 2.04 -0.07 1 88 ARG 1.54 -0.25 1 89 ARG 1.13 -0.21 1 90 ALA -0.06 -0.06 1 91 HIS 0.01 -0.27 1 93 ASP 1.28 -0.10 1 94 VAL 1.02 -0.02 1 95 GLU 0.68 -0.13 1 96 ARG 0.49 0.07 1 97 GLN 0.43 0.06 1 98 ALA 3.39 -0.27 1 100 ALA 2.40 -0.03 1 101 LEU 2.74 -0.30 1 102 ARG 5.79 -0.52 1 103 ASP 3.86 -0.12 1 105 LEU 3.59 -0.20 1 106 GLN 5.18 -0.30 1 107 THR 5.82 -0.36 1 108 ALA 2.68 -0.16 1 109 VAL 6.81 -0.40 1 110 GLN 5.22 -0.30 1 111 ALA 3.12 -0.12 1 112 THR 7.68 -0.79 1 113 VAL 6.60 -0.46 1 114 GLN 4.65 -0.14 1 115 GLU 3.09 -0.26 1 117 GLN 4.92 -0.69 1 118 LYS 4.20 -0.32 1 119 LEU 4.68 -0.29 1 120 ALA 2.72 -0.48 1 121 LYS 3.77 -0.33 1 122 THR 6.07 -0.40 1 123 VAL 5.94 -0.58 1 125 ALA 0.51 0.08 1 126 ASN -1.64 0.23 1 127 LEU 0.93 -0.06 1 128 GLU 0.48 0.03 1 129 GLU 1.88 -0.11 1 130 THR 0.48 0.04 1 131 ASN -0.24 0.19 1 132 LYS 2.89 -0.07 1 133 LYS 1.50 -0.02 1 134 LEU 3.05 -0.14 1 135 ALA 8.94 -0.54 1 137 GLN 2.99 -0.20 1 138 ILE 4.93 -0.71 1 139 LYS 2.40 -0.32 1 140 SER 4.52 -0.15 1 141 ALA 3.32 -0.01 1 142 TYR 3.90 -0.57 1 143 ASP 4.51 -0.64 1 144 ASP 4.06 -0.22 1 145 PHE 5.53 -0.59 1 147 LYS 4.26 -0.26 1 148 GLN 3.18 -0.18 1 149 ALA 5.06 -0.56 1 150 GLN 4.04 0.05 1 151 GLU 3.04 -0.19 1 152 VAL 6.39 -0.46 1 153 GLN 6.37 -0.46 1 154 LYS 4.49 -0.23 1 155 LYS 3.96 -0.19 1 156 LEU 4.11 -0.52 1 157 HIS 5.15 -0.48 1 158 GLU 3.03 -0.34 1 159 ALA 1.93 -0.14 1 160 ALA 1.14 -0.27 1 161 SER 0.70 -0.11 1 162 LYS 0.58 0.01 1 163 GLN 0.70 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26638_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.79 _LACS_plot.Line_1_terminator_val_y_1 -1.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.20 _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 8.94 _LACS_plot.Line_2_terminator_val_y_2 3.29 _LACS_plot.Y_axis_chem_shift_offset -0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ASN -4.51 0.65 0 135 ALA 8.94 0.03 0 65 ALA -4.79 -2.79 0 10 GLU 4.09 1.74 1 11 LYS 3.15 2.46 1 12 HIS 4.04 4.01 1 13 ALA 3.20 2.57 1 14 ALA 3.28 2.55 1 15 GLU 1.80 1.98 1 16 PHE 3.30 1.33 1 17 GLN 3.68 2.09 1 18 LYS 3.33 1.77 1 19 THR 5.09 1.71 1 20 PHE 4.84 1.70 1 21 SER 4.27 2.04 1 22 GLU 3.20 3.14 1 23 GLN 4.35 2.81 1 24 LEU 3.77 1.86 1 25 ASN 2.41 1.59 1 26 ALA 2.06 0.79 1 27 PHE -0.07 1.02 1 28 THR 3.31 -0.14 1 29 ASN 0.30 0.02 1 30 SER 1.01 -0.43 1 31 LYS 0.37 -0.53 1 32 ASP 0.38 -0.04 1 33 THR -3.69 0.60 1 34 LYS 4.60 2.93 1 35 GLU 4.90 2.81 1 36 PHE 3.61 0.63 1 37 ASN 4.82 3.17 1 38 THR 6.29 0.64 1 39 ALA 3.94 2.89 1 40 LEU 2.36 1.61 1 41 LYS 4.83 2.28 1 42 GLU 3.25 3.70 1 45 ASP 4.36 2.90 1 47 VAL 6.88 1.00 1 48 LEU 4.80 1.22 1 49 GLN 4.82 3.48 1 50 GLN 3.11 2.21 1 51 LEU 3.84 1.33 1 52 ASN 3.96 3.09 1 53 ALA 4.37 2.34 1 54 LEU 4.48 1.26 1 55 ALA 4.41 2.38 1 56 SER 4.54 3.28 1 58 LEU 4.77 0.50 1 59 GLN 4.19 2.63 1 60 LYS 3.91 2.30 1 61 ALA 2.62 0.55 1 62 LEU 3.04 1.05 1 63 ASN 2.67 0.65 1 64 ASP -1.58 -2.34 1 68 LYS 3.36 2.81 1 69 ALA 3.31 0.52 1 70 LYS 4.47 0.95 1 71 GLU 2.77 2.34 1 72 ALA 3.42 2.59 1 73 LEU 3.02 1.09 1 74 GLU 2.98 2.71 1 75 GLN 4.06 2.62 1 77 ARG 6.81 1.82 1 78 THR 5.94 1.97 1 79 ASN 5.12 3.85 1 80 LEU 3.71 1.58 1 81 GLU 3.81 2.94 1 82 ARG 4.68 2.81 1 83 THR 6.48 1.67 1 84 ALA 3.91 1.08 1 85 GLU 3.28 2.30 1 86 GLU 2.87 2.42 1 87 LEU 2.04 0.60 1 88 ARG 1.54 0.92 1 89 ARG 1.13 -0.62 1 90 ALA -0.06 -0.60 1 91 HIS 0.01 0.44 1 93 ASP 1.28 0.69 1 94 VAL 1.02 0.08 1 95 GLU 0.68 0.18 1 96 ARG 0.49 -0.09 1 97 GLN 0.43 0.37 1 98 ALA 3.39 1.83 1 100 ALA 2.40 2.66 1 101 LEU 2.74 1.62 1 102 ARG 5.79 1.50 1 103 ASP 3.86 1.49 1 104 ARG 4.10 2.42 1 105 LEU 3.59 0.19 1 106 GLN 5.18 2.46 1 107 THR 5.82 1.21 1 108 ALA 2.68 2.77 1 109 VAL 6.81 0.85 1 110 GLN 5.22 2.33 1 111 ALA 3.12 2.88 1 112 THR 7.68 2.70 1 113 VAL 6.60 1.51 1 114 GLN 4.65 3.34 1 115 GLU 3.09 3.08 1 117 GLN 4.92 1.62 1 118 LYS 4.20 2.75 1 119 LEU 4.68 0.36 1 120 ALA 2.72 1.97 1 121 LYS 3.77 2.71 1 122 THR 6.07 2.58 1 123 VAL 5.94 1.53 1 125 ALA 0.51 -0.25 1 126 ASN -1.64 -0.59 1 127 LEU 0.93 0.01 1 128 GLU 0.48 1.03 1 129 GLU 1.88 0.56 1 130 THR 0.48 0.02 1 131 ASN -0.24 1.52 1 132 LYS 2.89 1.37 1 133 LYS 1.50 1.85 1 134 LEU 3.05 0.50 1 137 GLN 2.99 3.18 1 138 ILE 4.93 0.33 1 139 LYS 2.40 0.42 1 140 SER 4.52 1.38 1 141 ALA 3.32 2.84 1 142 TYR 3.90 0.44 1 143 ASP 4.51 3.30 1 144 ASP 4.06 2.12 1 145 PHE 5.53 1.34 1 146 VAL 5.99 1.68 1 147 LYS 4.26 2.77 1 148 GLN 3.18 2.42 1 149 ALA 5.06 1.74 1 150 GLN 4.04 3.35 1 152 VAL 6.39 1.47 1 153 GLN 6.37 1.94 1 154 LYS 4.49 2.73 1 155 LYS 3.96 3.96 1 156 LEU 4.11 0.52 1 157 HIS 5.15 4.02 1 158 GLU 3.03 2.22 1 159 ALA 1.93 1.48 1 160 ALA 1.14 0.49 1 161 SER 0.70 -0.26 1 162 LYS 0.58 -0.84 1 163 GLN 0.70 4.49 1 stop_ save_