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 bmr25435_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.93 _LACS_plot.Line_1_terminator_val_y_1 -1.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 5.12 _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 36 ASP 2.23 5.02 0 10 ARG 0.54 0.35 1 11 ASN 0.49 0.55 1 12 ASN 0.59 0.50 1 13 ASP 0.44 0.56 1 15 ALA 0.26 0.20 1 16 TYR 0.95 0.81 1 17 TYR 0.60 0.42 1 18 LEU 0.39 0.39 1 19 GLN 1.13 0.99 1 20 THR 0.64 0.43 1 21 GLN 1.02 0.57 1 22 PHE -0.43 -0.08 1 23 THR 0.53 0.32 1 24 ASN 1.07 0.73 1 25 ALA 2.23 2.02 1 26 ASP 3.33 2.58 1 27 LYS 3.22 2.24 1 28 VAL 5.30 3.44 1 29 ASN 4.46 3.35 1 30 GLU 3.14 3.00 1 31 TYR 3.74 3.75 1 32 LEU 3.48 2.63 1 33 ALA 3.91 2.54 1 34 GLN 3.07 2.05 1 35 HIS 1.26 0.35 1 38 GLU 2.85 2.75 1 39 ILE 5.03 3.95 1 40 ARG 5.77 4.85 1 41 ALA 3.62 2.57 1 42 GLU 3.37 3.24 1 43 ALA 4.74 2.91 1 44 ALA 1.73 1.30 1 45 ALA -1.48 -1.38 1 46 ASP -1.93 0.61 1 48 ALA 3.63 2.69 1 49 VAL 5.96 4.46 1 50 VAL 4.95 4.49 1 51 ALA 3.63 2.67 1 52 ALA 3.32 2.49 1 53 LYS 2.72 1.76 1 54 ALA 4.15 2.64 1 55 ALA 3.50 2.27 1 56 LEU 1.96 2.00 1 57 ASP 3.16 2.31 1 58 ALA -0.52 -0.11 1 59 VAL -1.04 -0.69 1 60 GLU -0.90 -0.06 1 63 SER -0.15 0.36 1 64 HIS 3.50 3.33 1 65 ASN 0.68 -0.08 1 66 TYR 4.67 4.77 1 68 GLU 3.01 2.74 1 69 VAL 4.92 3.49 1 70 LYS 4.69 3.81 1 71 ALA 3.74 2.55 1 72 ALA 3.50 2.37 1 73 TYR 4.41 3.52 1 74 GLU 3.89 2.92 1 75 ALA 3.71 2.58 1 76 ALA 4.47 2.58 1 77 PHE 5.89 4.73 1 78 ASN 4.31 3.61 1 79 ASN 3.72 3.29 1 80 ALA 2.15 2.67 1 81 PHE 4.13 3.82 1 82 ASN 4.03 3.47 1 83 ALA 3.99 3.05 1 84 VAL 6.28 4.67 1 85 ARG 5.85 4.83 1 86 ASN 4.33 3.44 1 87 LYS 5.06 3.67 1 88 TYR 5.42 4.89 1 89 VAL 6.71 5.59 1 90 GLN 4.78 3.39 1 91 ARG 3.77 3.04 1 92 PHE 4.05 3.39 1 93 GLN 3.27 2.21 1 94 ALA 1.83 1.45 1 95 THR 1.41 1.33 1 96 TYR 1.14 0.76 1 97 ASN -0.04 -0.06 1 98 ASN 0.15 0.14 1 99 ALA 0.44 0.53 1 100 THR 0.54 0.44 1 101 GLU 0.11 0.30 1 102 GLN 0.26 0.34 1 103 GLU 0.04 0.45 1 105 LYS -0.10 0.07 1 106 THR 0.07 0.04 1 107 TYR -0.57 -0.25 1 108 ILE -0.74 -0.52 1 109 GLN 0.89 0.60 1 111 GLU -1.64 -0.50 1 112 THR 0.88 0.04 1 114 GLU 2.70 2.26 1 115 GLN 2.11 1.67 1 116 ALA 2.06 1.65 1 117 ASN 1.69 1.56 1 118 ALA 2.01 1.65 1 119 ARG 2.60 2.09 1 120 TYR 1.64 1.26 1 121 LEU 0.83 0.76 1 122 LYS 1.23 0.96 1 123 ARG 0.99 0.80 1 124 VAL 0.94 0.61 1 126 ALA -0.16 0.10 1 127 ALA 0.01 0.13 1 128 ASN 0.27 0.22 1 129 ASN 0.49 0.38 1 130 GLN 0.42 0.48 1 131 ASN -0.24 -0.03 1 133 ALA -0.09 -0.03 1 134 ALA 0.02 0.23 1 135 GLU -0.49 0.09 1 136 ASP 0.28 0.50 1 137 LYS 1.12 0.54 1 139 ALA 0.04 0.29 1 140 THR -0.09 -0.13 1 141 THR 0.26 0.14 1 143 ALA 0.21 0.39 1 144 SER 0.09 0.18 1 145 LYS 1.36 1.02 1 146 GLU 0.38 0.36 1 147 GLU 0.56 0.80 1 148 ALA 1.08 0.88 1 149 LYS 1.25 0.96 1 150 LYS 1.31 1.20 1 151 SER 1.16 0.95 1 152 GLU 0.52 0.83 1 153 ALA 0.92 0.82 1 154 ALA 0.76 0.67 1 155 ALA 0.69 0.64 1 156 LYS 1.12 0.92 1 157 ASN 1.27 1.36 1 158 ALA 0.56 0.53 1 160 LYS 0.02 0.13 1 161 ALA -0.05 0.11 1 162 ALA 0.09 0.31 1 164 LYS -0.22 0.01 1 165 ALA -0.69 -0.41 1 166 LEU -0.18 -0.24 1 168 LYS 0.25 0.33 1 169 THR 0.03 -0.32 1 170 SER 0.30 0.02 1 171 ALA -0.22 0.08 1 172 VAL 0.03 -0.01 1 173 LYS 4.49 1.23 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25435_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.93 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _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 36 ASP 2.23 2.79 0 10 ARG 0.54 -0.19 1 11 ASN 0.49 0.06 1 12 ASN 0.59 -0.09 1 13 ASP 0.44 0.12 1 15 ALA 0.26 -0.06 1 16 TYR 0.95 -0.14 1 17 TYR 0.60 -0.18 1 18 LEU 0.39 0.00 1 19 GLN 1.13 -0.14 1 20 THR 0.64 -0.21 1 21 GLN 1.02 -0.45 1 22 PHE -0.43 0.35 1 23 THR 0.53 -0.21 1 24 ASN 1.07 -0.34 1 25 ALA 2.23 -0.21 1 26 ASP 3.33 -0.75 1 27 LYS 3.22 -0.98 1 28 VAL 5.30 -1.86 1 29 ASN 4.46 -1.11 1 30 GLU 3.14 -0.14 1 31 TYR 3.74 0.01 1 32 LEU 3.48 -0.85 1 33 ALA 3.91 -1.37 1 34 GLN 3.07 -1.02 1 35 HIS 1.26 -0.91 1 38 GLU 2.85 -0.10 1 39 ILE 5.03 -1.08 1 40 ARG 5.77 -0.92 1 41 ALA 3.62 -1.05 1 42 GLU 3.37 -0.13 1 43 ALA 4.74 -1.83 1 44 ALA 1.73 -0.43 1 45 ALA -1.48 0.10 1 46 ASP -1.93 2.54 1 48 ALA 3.63 -0.94 1 49 VAL 5.96 -1.50 1 50 VAL 4.95 -0.46 1 51 ALA 3.63 -0.96 1 52 ALA 3.32 -0.83 1 53 LYS 2.72 -0.96 1 54 ALA 4.15 -1.51 1 55 ALA 3.50 -1.23 1 56 LEU 1.96 0.04 1 57 ASP 3.16 -0.85 1 58 ALA -0.52 0.41 1 59 VAL -1.04 0.35 1 60 GLU -0.90 0.84 1 63 SER -0.15 0.51 1 64 HIS 3.50 -0.17 1 65 ASN 0.68 -0.76 1 66 TYR 4.67 0.10 1 68 GLU 3.01 -0.27 1 69 VAL 4.92 -1.43 1 70 LYS 4.69 -0.88 1 71 ALA 3.74 -1.19 1 72 ALA 3.50 -1.13 1 73 TYR 4.41 -0.89 1 74 GLU 3.89 -0.97 1 75 ALA 3.71 -1.13 1 76 ALA 4.47 -1.89 1 77 PHE 5.89 -1.16 1 78 ASN 4.31 -0.70 1 79 ASN 3.72 -0.43 1 80 ALA 2.15 0.52 1 81 PHE 4.13 -0.31 1 82 ASN 4.03 -0.56 1 83 ALA 3.99 -0.94 1 84 VAL 6.28 -1.61 1 85 ARG 5.85 -1.02 1 86 ASN 4.33 -0.89 1 87 LYS 5.06 -1.39 1 88 TYR 5.42 -0.53 1 89 VAL 6.71 -1.12 1 90 GLN 4.78 -1.39 1 91 ARG 3.77 -0.73 1 92 PHE 4.05 -0.66 1 93 GLN 3.27 -1.06 1 94 ALA 1.83 -0.38 1 95 THR 1.41 -0.08 1 96 TYR 1.14 -0.38 1 97 ASN -0.04 -0.02 1 98 ASN 0.15 -0.01 1 99 ALA 0.44 0.09 1 100 THR 0.54 -0.10 1 101 GLU 0.11 0.19 1 102 GLN 0.26 0.08 1 103 GLU 0.04 0.41 1 105 LYS -0.10 0.17 1 106 THR 0.07 -0.03 1 107 TYR -0.57 0.32 1 108 ILE -0.74 0.22 1 109 GLN 0.89 -0.29 1 111 GLU -1.64 1.14 1 112 THR 0.88 -0.84 1 114 GLU 2.70 -0.44 1 115 GLN 2.11 -0.44 1 116 ALA 2.06 -0.41 1 117 ASN 1.69 -0.13 1 118 ALA 2.01 -0.36 1 119 ARG 2.60 -0.51 1 120 TYR 1.64 -0.38 1 121 LEU 0.83 -0.07 1 122 LYS 1.23 -0.27 1 123 ARG 0.99 -0.19 1 124 VAL 0.94 -0.33 1 126 ALA -0.16 0.26 1 127 ALA 0.01 0.12 1 128 ASN 0.27 -0.05 1 129 ASN 0.49 -0.11 1 130 GLN 0.42 0.06 1 131 ASN -0.24 0.21 1 133 ALA -0.09 0.06 1 134 ALA 0.02 0.21 1 135 GLU -0.49 0.58 1 136 ASP 0.28 0.22 1 137 LYS 1.12 -0.58 1 139 ALA 0.04 0.25 1 140 THR -0.09 -0.04 1 141 THR 0.26 -0.12 1 143 ALA 0.21 0.18 1 144 SER 0.09 0.09 1 145 LYS 1.36 -0.34 1 146 GLU 0.38 -0.02 1 147 GLU 0.56 0.24 1 148 ALA 1.08 -0.20 1 149 LYS 1.25 -0.29 1 150 LYS 1.31 -0.11 1 151 SER 1.16 -0.21 1 152 GLU 0.52 0.31 1 153 ALA 0.92 -0.10 1 154 ALA 0.76 -0.09 1 155 ALA 0.69 -0.05 1 156 LYS 1.12 -0.20 1 157 ASN 1.27 0.09 1 158 ALA 0.56 -0.03 1 160 LYS 0.02 0.11 1 161 ALA -0.05 0.16 1 162 ALA 0.09 0.22 1 164 LYS -0.22 0.23 1 165 ALA -0.69 0.28 1 166 LEU -0.18 -0.06 1 168 LYS 0.25 0.08 1 169 THR 0.03 -0.35 1 170 SER 0.30 -0.28 1 171 ALA -0.22 0.30 1 172 VAL 0.03 -0.04 1 173 LYS 4.49 -3.26 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25435_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.93 _LACS_plot.Line_1_terminator_val_y_1 -0.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -0.51 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 VAL 5.30 -1.32 0 10 ARG 0.54 -0.17 1 11 ASN 0.49 -0.15 1 12 ASN 0.59 -0.16 1 13 ASP 0.44 -0.16 1 15 ALA 0.26 -0.19 1 16 TYR 0.95 -0.23 1 17 TYR 0.60 -0.23 1 18 LEU 0.39 -0.22 1 19 GLN 1.13 -0.16 1 20 THR 0.64 -0.20 1 21 GLN 1.02 -0.20 1 22 PHE -0.43 0.04 1 23 THR 0.53 -0.17 1 24 ASN 1.07 -0.15 1 25 ALA 2.23 -0.35 1 26 ASP 3.33 -0.29 1 27 LYS 3.22 -0.25 1 29 ASN 4.46 -0.43 1 30 GLU 3.14 -0.30 1 31 TYR 3.74 -0.30 1 32 LEU 3.48 -0.68 1 33 ALA 3.91 -0.21 1 34 GLN 3.07 -0.44 1 35 HIS 1.26 0.00 1 36 ASP 2.23 -0.52 1 38 GLU 2.85 -0.28 1 39 ILE 5.03 -0.92 1 40 ARG 5.77 -0.37 1 41 ALA 3.62 -0.20 1 42 GLU 3.37 -0.33 1 43 ALA 4.74 -0.56 1 44 ALA 1.73 -0.13 1 45 ALA -1.48 -0.08 1 46 ASP -1.93 -0.29 1 48 ALA 3.63 -0.11 1 49 VAL 5.96 -0.66 1 50 VAL 4.95 -0.52 1 51 ALA 3.63 -0.14 1 52 ALA 3.32 -0.13 1 53 LYS 2.72 -0.72 1 54 ALA 4.15 -0.21 1 55 ALA 3.50 -0.29 1 56 LEU 1.96 -0.42 1 57 ASP 3.16 -0.37 1 58 ALA -0.52 -0.03 1 59 VAL -1.04 0.14 1 60 GLU -0.90 -0.14 1 63 SER -0.15 -0.05 1 64 HIS 3.50 -0.28 1 65 ASN 0.68 0.05 1 66 TYR 4.67 -0.80 1 68 GLU 3.01 -0.30 1 69 VAL 4.92 -0.36 1 70 LYS 4.69 -0.45 1 71 ALA 3.74 -0.21 1 72 ALA 3.50 -0.19 1 73 TYR 4.41 -0.40 1 74 GLU 3.89 -0.85 1 75 ALA 3.71 -0.22 1 76 ALA 4.47 -0.30 1 77 PHE 5.89 -0.91 1 78 ASN 4.31 -0.47 1 79 ASN 3.72 -0.34 1 80 ALA 2.15 -0.17 1 81 PHE 4.13 -1.10 1 82 ASN 4.03 -0.62 1 83 ALA 3.99 -0.20 1 84 VAL 6.28 -0.54 1 85 ARG 5.85 -0.82 1 86 ASN 4.33 -0.39 1 87 LYS 5.06 -0.26 1 88 TYR 5.42 -0.55 1 89 VAL 6.71 -0.66 1 90 GLN 4.78 -0.39 1 91 ARG 3.77 -0.40 1 92 PHE 4.05 -0.95 1 93 GLN 3.27 -0.52 1 94 ALA 1.83 -0.24 1 95 THR 1.41 -0.33 1 96 TYR 1.14 -0.38 1 97 ASN -0.04 -0.24 1 98 ASN 0.15 -0.22 1 99 ALA 0.44 -0.10 1 100 THR 0.54 -0.17 1 101 GLU 0.11 -0.16 1 102 GLN 0.26 -0.19 1 103 GLU 0.04 -0.21 1 105 LYS -0.10 -0.06 1 106 THR 0.07 -0.14 1 107 TYR -0.57 -0.04 1 108 ILE -0.74 -0.18 1 109 GLN 0.89 -0.23 1 111 GLU -1.64 0.01 1 112 THR 0.88 -0.07 1 114 GLU 2.70 -0.31 1 115 GLN 2.11 -0.27 1 116 ALA 2.06 -0.27 1 117 ASN 1.69 -0.25 1 118 ALA 2.01 -0.23 1 119 ARG 2.60 -0.33 1 120 TYR 1.64 -0.20 1 121 LEU 0.83 -0.30 1 122 LYS 1.23 -0.21 1 123 ARG 0.99 -0.13 1 124 VAL 0.94 -0.15 1 126 ALA -0.16 -0.12 1 127 ALA 0.01 -0.15 1 128 ASN 0.27 -0.16 1 129 ASN 0.49 -0.17 1 130 GLN 0.42 -0.16 1 131 ASN -0.24 -0.17 1 133 ALA -0.09 -0.12 1 134 ALA 0.02 -0.16 1 135 GLU -0.49 -0.21 1 136 ASP 0.28 -0.16 1 137 LYS 1.12 -0.11 1 139 ALA 0.04 -0.02 1 140 THR -0.09 -0.06 1 141 THR 0.26 -0.07 1 143 ALA 0.21 -0.11 1 144 SER 0.09 -0.15 1 145 LYS 1.36 -0.15 1 146 GLU 0.38 -0.21 1 147 GLU 0.56 -0.23 1 148 ALA 1.08 -0.16 1 149 LYS 1.25 -0.17 1 150 LYS 1.31 -0.17 1 151 SER 1.16 -0.16 1 152 GLU 0.52 -0.21 1 153 ALA 0.92 -0.19 1 154 ALA 0.76 -0.17 1 155 ALA 0.69 -0.17 1 156 LYS 1.12 -0.20 1 157 ASN 1.27 -0.24 1 158 ALA 0.56 -0.13 1 160 LYS 0.02 -0.12 1 161 ALA -0.05 -0.12 1 162 ALA 0.09 -0.12 1 164 LYS -0.22 -0.11 1 165 ALA -0.69 -0.11 1 166 LEU -0.18 -0.19 1 168 LYS 0.25 -0.09 1 169 THR 0.03 -0.05 1 170 SER 0.30 0.20 1 171 ALA -0.22 -0.08 1 172 VAL 0.03 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25435_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.93 _LACS_plot.Line_1_terminator_val_y_1 -1.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 4.26 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 77 PHE 5.89 0.86 0 173 LYS 4.49 -0.42 0 10 ARG 0.54 0.10 1 11 ASN 0.49 0.05 1 12 ASN 0.59 -0.04 1 13 ASP 0.44 0.74 1 15 ALA 0.26 0.19 1 16 TYR 0.95 0.23 1 17 TYR 0.60 -0.15 1 18 LEU 0.39 -0.20 1 19 GLN 1.13 0.57 1 20 THR 0.64 0.00 1 21 GLN 1.02 -0.25 1 22 PHE -0.43 0.47 1 23 THR 0.53 -0.04 1 24 ASN 1.07 0.57 1 25 ALA 2.23 0.75 1 26 ASP 3.33 2.44 1 27 LYS 3.22 2.85 1 28 VAL 5.30 0.98 1 29 ASN 4.46 3.64 1 30 GLU 3.14 1.58 1 31 TYR 3.74 2.97 1 32 LEU 3.48 2.55 1 33 ALA 3.91 3.75 1 34 GLN 3.07 1.62 1 35 HIS 1.26 -0.17 1 36 ASP 2.23 0.86 1 38 GLU 2.85 2.82 1 39 ILE 5.03 2.02 1 40 ARG 5.77 2.72 1 41 ALA 3.62 3.02 1 42 GLU 3.37 3.68 1 43 ALA 4.74 0.56 1 44 ALA 1.73 -0.38 1 45 ALA -1.48 -0.16 1 46 ASP -1.93 0.98 1 48 ALA 3.63 3.61 1 49 VAL 5.96 1.30 1 50 VAL 4.95 3.83 1 51 ALA 3.63 2.91 1 52 ALA 3.32 3.22 1 53 LYS 2.72 0.87 1 54 ALA 4.15 3.31 1 55 ALA 3.50 2.18 1 56 LEU 1.96 0.96 1 57 ASP 3.16 0.90 1 58 ALA -0.52 -0.01 1 59 VAL -1.04 -1.18 1 60 GLU -0.90 1.48 1 63 SER -0.15 2.18 1 64 HIS 3.50 1.50 1 65 ASN 0.68 0.13 1 66 TYR 4.67 0.63 1 68 GLU 3.01 2.92 1 69 VAL 4.92 3.47 1 70 LYS 4.69 1.66 1 71 ALA 3.74 3.24 1 72 ALA 3.50 3.32 1 73 TYR 4.41 0.11 1 74 GLU 3.89 2.73 1 75 ALA 3.71 2.43 1 76 ALA 4.47 3.12 1 78 ASN 4.31 2.69 1 79 ASN 3.72 2.74 1 80 ALA 2.15 1.22 1 81 PHE 4.13 1.17 1 82 ASN 4.03 2.35 1 83 ALA 3.99 3.54 1 84 VAL 6.28 2.45 1 85 ARG 5.85 2.04 1 86 ASN 4.33 2.72 1 87 LYS 5.06 3.12 1 88 TYR 5.42 3.01 1 89 VAL 6.71 1.85 1 90 GLN 4.78 3.23 1 91 ARG 3.77 2.54 1 92 PHE 4.05 2.09 1 93 GLN 3.27 1.77 1 94 ALA 1.83 1.26 1 95 THR 1.41 0.32 1 96 TYR 1.14 -0.14 1 97 ASN -0.04 -0.32 1 98 ASN 0.15 0.04 1 99 ALA 0.44 0.52 1 100 THR 0.54 0.46 1 101 GLU 0.11 0.20 1 102 GLN 0.26 0.32 1 103 GLU 0.04 0.65 1 105 LYS -0.10 0.11 1 106 THR 0.07 -0.64 1 107 TYR -0.57 -0.56 1 108 ILE -0.74 -0.54 1 109 GLN 0.89 0.49 1 111 GLU -1.64 0.24 1 112 THR 0.88 0.40 1 114 GLU 2.70 1.90 1 115 GLN 2.11 1.75 1 116 ALA 2.06 1.42 1 117 ASN 1.69 1.05 1 118 ALA 2.01 1.35 1 119 ARG 2.60 1.29 1 120 TYR 1.64 0.65 1 121 LEU 0.83 0.48 1 122 LYS 1.23 0.48 1 123 ARG 0.99 0.70 1 124 VAL 0.94 0.81 1 126 ALA -0.16 0.04 1 127 ALA 0.01 -0.05 1 128 ASN 0.27 -0.07 1 129 ASN 0.49 -0.04 1 130 GLN 0.42 -0.43 1 131 ASN -0.24 -0.18 1 133 ALA -0.09 -0.05 1 134 ALA 0.02 0.15 1 135 GLU -0.49 -0.33 1 136 ASP 0.28 0.32 1 137 LYS 1.12 0.88 1 139 ALA 0.04 0.36 1 140 THR -0.09 -0.03 1 141 THR 0.26 -0.21 1 143 ALA 0.21 0.51 1 144 SER 0.09 0.63 1 145 LYS 1.36 0.73 1 146 GLU 0.38 0.76 1 147 GLU 0.56 0.58 1 148 ALA 1.08 0.76 1 149 LYS 1.25 1.05 1 150 LYS 1.31 0.98 1 151 SER 1.16 0.82 1 152 GLU 0.52 0.53 1 153 ALA 0.92 0.63 1 154 ALA 0.76 0.68 1 155 ALA 0.69 0.87 1 156 LYS 1.12 0.52 1 157 ASN 1.27 0.13 1 158 ALA 0.56 0.69 1 160 LYS 0.02 0.17 1 161 ALA -0.05 -0.11 1 162 ALA 0.09 0.68 1 164 LYS -0.22 -0.32 1 165 ALA -0.69 -0.35 1 166 LEU -0.18 -0.14 1 168 LYS 0.25 0.59 1 169 THR 0.03 -0.07 1 170 SER 0.30 -0.32 1 171 ALA -0.22 -0.12 1 172 VAL 0.03 -0.22 1 stop_ save_