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 bmr15411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.64 _LACS_plot.Line_1_terminator_val_y_1 -0.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 8.17 _LACS_plot.Line_2_terminator_val_y_2 6.22 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 189 ASP 0.45 1.72 0 152 LYS -2.64 -0.81 0 10 VAL 3.44 2.63 1 11 ILE 3.22 2.44 1 12 ALA 4.07 2.91 1 13 GLU 3.67 3.33 1 14 ASN 3.57 3.02 1 15 GLU 2.58 2.44 1 16 LEU 5.07 3.79 1 17 LEU 4.40 3.01 1 19 ALA 4.04 2.47 1 20 ALA 4.53 3.26 1 21 ALA 3.62 2.49 1 22 ALA 3.51 2.49 1 23 ILE 5.06 4.84 1 24 GLU 3.57 2.98 1 25 ALA 3.86 2.47 1 26 ALA 3.80 2.60 1 27 ALA 3.48 2.53 1 28 LYS 3.83 2.86 1 29 LYS 3.99 3.03 1 30 LEU 2.09 1.68 1 31 GLU 1.61 1.67 1 32 GLN 0.49 0.27 1 33 LEU -0.31 0.20 1 34 LYS -1.56 -0.79 1 36 ARG 0.08 0.29 1 37 ALA -0.18 0.16 1 38 LYS -0.33 -0.04 1 40 LYS 0.94 0.82 1 41 GLU -0.12 0.13 1 42 ALA 0.35 0.57 1 43 ASP 0.10 0.41 1 44 GLU 0.53 0.77 1 45 SER 1.12 1.12 1 46 LEU 0.17 0.29 1 47 ASN 0.64 0.25 1 48 PHE 3.75 3.39 1 49 GLU 5.79 4.80 1 50 GLU 3.03 3.12 1 51 GLN 4.37 3.79 1 52 ILE 4.81 2.73 1 53 LEU 4.07 3.49 1 54 GLU 3.48 2.88 1 55 ALA 3.62 2.57 1 56 ALA 3.96 2.88 1 57 LYS 5.43 4.56 1 58 SER 4.71 3.89 1 59 ILE 5.82 4.99 1 60 ALA 4.36 2.66 1 61 ALA 3.71 2.56 1 62 ALA 3.21 2.44 1 63 THR 5.54 4.16 1 64 SER 5.23 4.11 1 65 ALA 4.14 2.72 1 66 LEU 3.32 3.51 1 67 VAL 6.69 5.23 1 68 LYS 5.31 4.49 1 69 ALA 4.40 2.61 1 70 ALA 3.67 2.55 1 71 SER 4.52 3.52 1 72 ALA 3.65 2.55 1 73 ALA 3.82 2.50 1 74 GLN 6.75 4.53 1 75 ARG 4.13 3.31 1 76 GLU 2.69 2.69 1 77 LEU 3.02 2.79 1 78 VAL 4.06 3.33 1 79 ALA 3.33 2.51 1 80 GLN 0.93 0.93 1 82 LYS 1.01 0.89 1 83 VAL -2.03 -0.63 1 85 ALA -0.96 0.22 1 86 ILE -1.00 -0.36 1 88 ALA 1.76 1.49 1 89 ASN -0.13 -0.31 1 90 ALA 2.35 2.49 1 91 LEU 2.52 1.88 1 92 ASP 1.74 1.96 1 93 ASP 2.97 2.58 1 95 GLN 3.82 3.06 1 96 TRP 5.62 3.95 1 97 SER 6.02 4.51 1 98 GLN 4.46 3.29 1 100 LEU 3.60 3.23 1 101 ILE 5.29 4.85 1 102 SER 4.68 3.66 1 103 ALA 3.81 2.55 1 104 ALA 4.22 3.35 1 105 ARG 4.75 4.00 1 106 MET 4.03 3.36 1 107 VAL 5.59 4.27 1 108 ALA 4.57 3.33 1 109 ALA 3.71 2.57 1 110 ALA 3.71 2.53 1 111 THR 7.56 6.04 1 112 ASN 4.95 4.93 1 113 ASN 4.35 3.28 1 114 LEU 3.82 3.02 1 116 GLU 3.55 3.00 1 117 ALA 3.96 2.49 1 118 ALA 4.02 2.77 1 119 ASN 3.11 3.51 1 120 ALA 3.67 2.59 1 121 ALA 3.53 2.59 1 122 VAL 4.36 2.98 1 123 GLN 0.33 0.27 1 125 HIS -1.42 -1.07 1 126 ALA -0.81 0.07 1 127 SER -1.96 -1.79 1 128 GLN 5.35 4.68 1 129 GLU 3.94 3.32 1 130 LYS 3.16 2.62 1 131 LEU 3.39 3.52 1 132 ILE 5.95 5.17 1 133 SER 4.78 3.76 1 135 ALA 4.01 3.36 1 136 LYS 4.72 3.83 1 137 GLN 4.01 3.08 1 138 VAL 6.56 5.12 1 139 ALA 4.99 3.62 1 140 ALA 3.20 2.49 1 141 SER 5.34 4.07 1 142 THR 8.17 6.33 1 143 ALA 4.09 2.77 1 144 GLN 4.16 2.99 1 145 LEU 4.42 3.46 1 146 LEU 4.95 4.30 1 147 VAL 5.73 4.60 1 148 ALA 3.83 2.48 1 150 LYS 2.93 2.37 1 151 VAL 3.05 2.66 1 153 ALA -1.37 -0.19 1 154 ASP -0.28 0.02 1 155 GLN 1.92 1.73 1 156 ASP -0.10 -0.10 1 157 SER -1.39 -0.32 1 158 GLU 3.77 3.17 1 159 ALA 3.95 2.74 1 160 MET 2.49 0.93 1 161 LYS 4.94 4.08 1 162 ARG 4.12 3.42 1 163 LEU 3.54 3.46 1 164 GLN 4.07 3.20 1 165 ALA 3.81 2.59 1 166 ALA 4.23 2.44 1 168 ASN 3.95 2.89 1 169 ALA 4.00 2.81 1 170 VAL 6.12 5.07 1 171 LYS 4.97 4.06 1 172 ARG 3.81 3.35 1 173 ALA 3.15 2.62 1 174 SER 5.83 4.28 1 175 ASP 4.32 3.42 1 176 ASN 3.99 2.95 1 177 LEU 4.40 3.55 1 178 VAL 6.91 5.69 1 179 LYS 4.17 3.35 1 180 ALA 3.50 2.45 1 181 ALA 2.17 2.02 1 182 GLN 2.87 2.28 1 183 LYS 2.03 1.25 1 184 ALA 0.72 0.62 1 185 ALA 0.28 0.37 1 186 ALA 0.08 0.12 1 187 PHE -0.31 -0.11 1 188 GLU -1.26 -0.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.64 _LACS_plot.Line_1_terminator_val_y_1 1.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 8.17 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 189 ASP 0.45 1.27 0 152 LYS -2.64 1.83 0 10 VAL 3.44 -0.81 1 11 ILE 3.22 -0.78 1 12 ALA 4.07 -1.16 1 13 GLU 3.67 -0.34 1 14 ASN 3.57 -0.55 1 15 GLU 2.58 -0.14 1 16 LEU 5.07 -1.28 1 17 LEU 4.40 -1.39 1 19 ALA 4.04 -1.57 1 20 ALA 4.53 -1.27 1 21 ALA 3.62 -1.13 1 22 ALA 3.51 -1.02 1 23 ILE 5.06 -0.22 1 24 GLU 3.57 -0.59 1 25 ALA 3.86 -1.39 1 26 ALA 3.80 -1.20 1 27 ALA 3.48 -0.95 1 28 LYS 3.83 -0.97 1 29 LYS 3.99 -0.96 1 30 LEU 2.09 -0.41 1 31 GLU 1.61 0.06 1 32 GLN 0.49 -0.22 1 33 LEU -0.31 0.51 1 34 LYS -1.56 0.77 1 36 ARG 0.08 0.21 1 37 ALA -0.18 0.34 1 38 LYS -0.33 0.29 1 40 LYS 0.94 -0.12 1 41 GLU -0.12 0.25 1 42 ALA 0.35 0.22 1 43 ASP 0.10 0.31 1 44 GLU 0.53 0.24 1 45 SER 1.12 0.00 1 46 LEU 0.17 0.12 1 47 ASN 0.64 -0.39 1 48 PHE 3.75 -0.36 1 49 GLU 5.79 -0.99 1 50 GLU 3.03 0.09 1 51 GLN 4.37 -0.58 1 52 ILE 4.81 -2.08 1 53 LEU 4.07 -0.58 1 54 GLU 3.48 -0.60 1 55 ALA 3.62 -1.05 1 56 ALA 3.96 -1.08 1 57 LYS 5.43 -0.87 1 58 SER 4.71 -0.82 1 59 ILE 5.82 -0.83 1 60 ALA 4.36 -1.70 1 61 ALA 3.71 -1.15 1 62 ALA 3.21 -0.77 1 63 THR 5.54 -1.38 1 64 SER 5.23 -1.12 1 65 ALA 4.14 -1.42 1 66 LEU 3.32 0.19 1 67 VAL 6.69 -1.46 1 68 LYS 5.31 -0.82 1 69 ALA 4.40 -1.79 1 70 ALA 3.67 -1.12 1 71 SER 4.52 -1.00 1 72 ALA 3.65 -1.10 1 73 ALA 3.82 -1.32 1 74 GLN 6.75 -2.22 1 75 ARG 4.13 -0.82 1 76 GLU 2.69 0.00 1 77 LEU 3.02 -0.23 1 78 VAL 4.06 -0.73 1 79 ALA 3.33 -0.82 1 80 GLN 0.93 0.00 1 82 LYS 1.01 -0.12 1 83 VAL -2.03 1.40 1 85 ALA -0.96 1.18 1 86 ILE -1.00 0.64 1 88 ALA 1.76 -0.27 1 89 ASN -0.13 -0.18 1 90 ALA 2.35 0.14 1 91 LEU 2.52 -0.64 1 92 ASP 1.74 0.22 1 93 ASP 2.97 -0.39 1 95 GLN 3.82 -0.76 1 96 TRP 5.62 -1.67 1 97 SER 6.02 -1.51 1 98 GLN 4.46 -1.17 1 100 LEU 3.60 -0.37 1 101 ILE 5.29 -0.44 1 102 SER 4.68 -1.02 1 103 ALA 3.81 -1.26 1 104 ALA 4.22 -0.87 1 105 ARG 4.75 -0.75 1 106 MET 4.03 -0.67 1 107 VAL 5.59 -1.32 1 108 ALA 4.57 -1.24 1 109 ALA 3.71 -1.14 1 110 ALA 3.71 -1.18 1 111 THR 7.56 -1.52 1 112 ASN 4.95 -0.02 1 113 ASN 4.35 -1.07 1 114 LEU 3.82 -0.80 1 116 GLU 3.55 -0.55 1 117 ALA 3.96 -1.47 1 118 ALA 4.02 -1.25 1 119 ASN 3.11 0.40 1 120 ALA 3.67 -1.08 1 121 ALA 3.53 -0.94 1 122 VAL 4.36 -1.38 1 123 GLN 0.33 -0.06 1 125 HIS -1.42 0.35 1 126 ALA -0.81 0.88 1 127 SER -1.96 0.17 1 128 GLN 5.35 -0.67 1 129 GLU 3.94 -0.62 1 130 LYS 3.16 -0.54 1 131 LEU 3.39 0.13 1 132 ILE 5.95 -0.78 1 133 SER 4.78 -1.02 1 135 ALA 4.01 -0.65 1 136 LYS 4.72 -0.89 1 137 GLN 4.01 -0.93 1 138 VAL 6.56 -1.44 1 139 ALA 4.99 -1.37 1 140 ALA 3.20 -0.71 1 141 SER 5.34 -1.27 1 142 THR 8.17 -1.84 1 143 ALA 4.09 -1.32 1 144 GLN 4.16 -1.17 1 145 LEU 4.42 -0.96 1 146 LEU 4.95 -0.65 1 147 VAL 5.73 -1.13 1 148 ALA 3.83 -1.35 1 150 LYS 2.93 -0.56 1 151 VAL 3.05 -0.39 1 153 ALA -1.37 1.18 1 154 ASP -0.28 0.30 1 155 GLN 1.92 -0.19 1 156 ASP -0.10 0.00 1 157 SER -1.39 1.07 1 158 GLU 3.77 -0.60 1 159 ALA 3.95 -1.21 1 160 MET 2.49 -1.56 1 161 LYS 4.94 -0.86 1 162 ARG 4.12 -0.70 1 163 LEU 3.54 -0.08 1 164 GLN 4.07 -0.87 1 165 ALA 3.81 -1.22 1 166 ALA 4.23 -1.79 1 168 ASN 3.95 -1.06 1 169 ALA 4.00 -1.19 1 170 VAL 6.12 -1.05 1 171 LYS 4.97 -0.91 1 172 ARG 3.81 -0.46 1 173 ALA 3.15 -0.53 1 174 SER 5.83 -1.55 1 175 ASP 4.32 -0.90 1 176 ASN 3.99 -1.04 1 177 LEU 4.40 -0.85 1 178 VAL 6.91 -1.22 1 179 LYS 4.17 -0.82 1 180 ALA 3.50 -1.05 1 181 ALA 2.17 -0.15 1 182 GLN 2.87 -0.59 1 183 LYS 2.03 -0.78 1 184 ALA 0.72 -0.10 1 185 ALA 0.28 0.09 1 186 ALA 0.08 0.04 1 187 PHE -0.31 0.20 1 188 GLU -1.26 1.06 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.64 _LACS_plot.Line_1_terminator_val_y_1 0.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 8.17 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 184 ALA 0.72 -0.40 0 101 ILE 5.29 -0.74 0 10 VAL 3.44 -0.13 1 11 ILE 3.22 -0.12 1 12 ALA 4.07 -0.32 1 13 GLU 3.67 -0.27 1 14 ASN 3.57 -0.18 1 15 GLU 2.58 -0.11 1 16 LEU 5.07 -0.30 1 17 LEU 4.40 -0.14 1 19 ALA 4.04 0.02 1 20 ALA 4.53 -0.25 1 21 ALA 3.62 -0.05 1 22 ALA 3.51 -0.04 1 23 ILE 5.06 -0.44 1 24 GLU 3.57 -0.27 1 25 ALA 3.86 -0.11 1 26 ALA 3.80 -0.10 1 27 ALA 3.48 -0.32 1 28 LYS 3.83 -0.19 1 29 LYS 3.99 -0.19 1 30 LEU 2.09 -0.13 1 31 GLU 1.61 -0.23 1 32 GLN 0.49 0.00 1 33 LEU -0.31 0.02 1 34 LYS -1.56 0.16 1 36 ARG 0.08 0.02 1 37 ALA -0.18 0.06 1 38 LYS -0.33 0.10 1 40 LYS 0.94 0.00 1 41 GLU -0.12 0.02 1 42 ALA 0.35 0.04 1 43 ASP 0.10 0.01 1 44 GLU 0.53 -0.01 1 45 SER 1.12 -0.04 1 46 LEU 0.17 0.09 1 47 ASN 0.64 0.05 1 48 PHE 3.75 -0.22 1 49 GLU 5.79 -0.70 1 50 GLU 3.03 -0.33 1 51 GLN 4.37 -0.24 1 52 ILE 4.81 -0.49 1 53 LEU 4.07 -0.33 1 54 GLU 3.48 -0.28 1 55 ALA 3.62 0.04 1 56 ALA 3.96 -0.27 1 57 LYS 5.43 -0.42 1 58 SER 4.71 -0.06 1 59 ILE 5.82 -0.47 1 60 ALA 4.36 -0.19 1 61 ALA 3.71 -0.12 1 62 ALA 3.21 0.08 1 63 THR 5.54 -0.34 1 64 SER 5.23 -0.30 1 65 ALA 4.14 -0.17 1 66 LEU 3.32 -0.35 1 67 VAL 6.69 -0.47 1 68 LYS 5.31 -0.25 1 69 ALA 4.40 0.02 1 70 ALA 3.67 -0.07 1 71 SER 4.52 -0.20 1 72 ALA 3.65 -0.05 1 73 ALA 3.82 -0.18 1 74 GLN 6.75 -0.16 1 75 ARG 4.13 -0.28 1 76 GLU 2.69 -0.10 1 77 LEU 3.02 -0.21 1 78 VAL 4.06 -0.09 1 79 ALA 3.33 -0.05 1 80 GLN 0.93 0.04 1 82 LYS 1.01 0.00 1 83 VAL -2.03 0.16 1 85 ALA -0.96 0.21 1 86 ILE -1.00 0.18 1 88 ALA 1.76 -0.01 1 89 ASN -0.13 0.24 1 90 ALA 2.35 0.00 1 91 LEU 2.52 0.03 1 92 ASP 1.74 -0.01 1 93 ASP 2.97 0.06 1 95 GLN 3.82 -0.09 1 96 TRP 5.62 -0.22 1 97 SER 6.02 -0.67 1 98 GLN 4.46 -0.30 1 100 LEU 3.60 -0.51 1 102 SER 4.68 -0.32 1 103 ALA 3.81 -0.05 1 104 ALA 4.22 -0.41 1 105 ARG 4.75 -0.27 1 106 MET 4.03 -0.04 1 107 VAL 5.59 -0.16 1 108 ALA 4.57 -0.27 1 109 ALA 3.71 -0.06 1 110 ALA 3.71 -0.05 1 111 THR 7.56 -0.56 1 112 ASN 4.95 -0.38 1 113 ASN 4.35 -0.21 1 114 LEU 3.82 0.00 1 116 GLU 3.55 -0.14 1 117 ALA 3.96 -0.01 1 118 ALA 4.02 -0.32 1 119 ASN 3.11 -0.44 1 120 ALA 3.67 -0.17 1 121 ALA 3.53 -0.15 1 122 VAL 4.36 -0.17 1 123 GLN 0.33 0.10 1 125 HIS -1.42 0.31 1 126 ALA -0.81 0.06 1 127 SER -1.96 0.40 1 128 GLN 5.35 -0.36 1 129 GLU 3.94 -0.25 1 130 LYS 3.16 -0.10 1 131 LEU 3.39 -0.37 1 132 ILE 5.95 -0.54 1 133 SER 4.78 -0.24 1 135 ALA 4.01 -0.28 1 136 LYS 4.72 -0.22 1 137 GLN 4.01 0.02 1 138 VAL 6.56 -0.53 1 139 ALA 4.99 -0.29 1 140 ALA 3.20 0.01 1 141 SER 5.34 -0.15 1 142 THR 8.17 -0.55 1 143 ALA 4.09 -0.16 1 144 GLN 4.16 -0.19 1 145 LEU 4.42 -0.29 1 146 LEU 4.95 -0.38 1 147 VAL 5.73 -0.44 1 148 ALA 3.83 0.02 1 150 LYS 2.93 -0.08 1 151 VAL 3.05 -0.11 1 152 LYS -2.64 0.11 1 153 ALA -1.37 0.10 1 154 ASP -0.28 0.02 1 155 GLN 1.92 -0.16 1 156 ASP -0.10 0.16 1 157 SER -1.39 0.09 1 158 GLU 3.77 -0.26 1 159 ALA 3.95 -0.18 1 160 MET 2.49 0.16 1 161 LYS 4.94 -0.15 1 162 ARG 4.12 -0.14 1 163 LEU 3.54 -0.32 1 164 GLN 4.07 -0.32 1 165 ALA 3.81 -0.02 1 166 ALA 4.23 0.08 1 168 ASN 3.95 -0.14 1 169 ALA 4.00 -0.05 1 170 VAL 6.12 -0.61 1 171 LYS 4.97 -0.39 1 172 ARG 3.81 -0.13 1 173 ALA 3.15 0.04 1 174 SER 5.83 -0.44 1 175 ASP 4.32 -0.17 1 176 ASN 3.99 -0.16 1 177 LEU 4.40 -0.27 1 178 VAL 6.91 -0.66 1 179 LYS 4.17 -0.19 1 180 ALA 3.50 -0.07 1 181 ALA 2.17 -0.09 1 182 GLN 2.87 -0.18 1 183 LYS 2.03 -0.12 1 185 ALA 0.28 -0.06 1 186 ALA 0.08 -0.01 1 187 PHE -0.31 0.11 1 188 GLU -1.26 0.09 1 189 ASP 0.45 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.64 _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 1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.43 _LACS_plot.Line_2_terminator_val_x_2 8.17 _LACS_plot.Line_2_terminator_val_y_2 3.74 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 189 ASP 0.45 4.45 0 10 VAL 3.44 1.57 1 11 ILE 3.22 1.54 1 12 ALA 4.07 0.97 1 13 GLU 3.67 1.75 1 14 ASN 3.57 3.87 1 15 GLU 2.58 3.45 1 16 LEU 5.07 1.44 1 17 LEU 4.40 3.41 1 19 ALA 4.04 1.44 1 20 ALA 4.53 1.94 1 21 ALA 3.62 3.00 1 22 ALA 3.51 3.53 1 23 ILE 5.06 1.06 1 24 GLU 3.57 2.79 1 25 ALA 3.86 2.83 1 26 ALA 3.80 2.15 1 27 ALA 3.48 2.97 1 28 LYS 3.83 2.86 1 29 LYS 3.99 2.73 1 30 LEU 2.09 1.22 1 31 GLU 1.61 0.67 1 32 GLN 0.49 0.20 1 33 LEU -0.31 -1.34 1 34 LYS -1.56 -0.95 1 36 ARG 0.08 -0.22 1 37 ALA -0.18 -0.52 1 38 LYS -0.33 -0.26 1 40 LYS 0.94 0.27 1 41 GLU -0.12 -0.16 1 42 ALA 0.35 -0.40 1 43 ASP 0.10 0.29 1 44 GLU 0.53 0.38 1 45 SER 1.12 0.12 1 46 LEU 0.17 -0.18 1 47 ASN 0.64 0.89 1 48 PHE 3.75 0.94 1 49 GLU 5.79 1.73 1 50 GLU 3.03 2.46 1 51 GLN 4.37 3.95 1 52 ILE 4.81 0.78 1 53 LEU 4.07 1.19 1 54 GLU 3.48 3.17 1 55 ALA 3.62 2.55 1 56 ALA 3.96 1.28 1 57 LYS 5.43 3.44 1 58 SER 4.71 5.46 1 59 ILE 5.82 1.10 1 60 ALA 4.36 1.12 1 61 ALA 3.71 2.97 1 62 ALA 3.21 2.67 1 63 THR 5.54 2.85 1 64 SER 5.23 2.00 1 65 ALA 4.14 2.98 1 66 LEU 3.32 0.27 1 67 VAL 6.69 2.18 1 68 LYS 5.31 3.45 1 69 ALA 4.40 2.46 1 70 ALA 3.67 1.06 1 71 SER 4.52 4.28 1 72 ALA 3.65 2.43 1 73 ALA 3.82 1.54 1 74 GLN 6.75 1.45 1 75 ARG 4.13 2.92 1 76 GLU 2.69 1.78 1 77 LEU 3.02 2.24 1 78 VAL 4.06 3.28 1 79 ALA 3.33 2.02 1 80 GLN 0.93 1.15 1 82 LYS 1.01 0.07 1 83 VAL -2.03 -0.26 1 85 ALA -0.96 -0.40 1 86 ILE -1.00 0.56 1 88 ALA 1.76 0.31 1 89 ASN -0.13 0.08 1 90 ALA 2.35 1.55 1 91 LEU 2.52 0.95 1 92 ASP 1.74 1.70 1 93 ASP 2.97 2.59 1 95 GLN 3.82 3.03 1 96 TRP 5.62 2.65 1 97 SER 6.02 1.36 1 98 GLN 4.46 2.94 1 100 LEU 3.60 0.42 1 101 ILE 5.29 1.68 1 102 SER 4.68 2.61 1 103 ALA 3.81 1.86 1 104 ALA 4.22 1.62 1 105 ARG 4.75 3.82 1 106 MET 4.03 2.94 1 107 VAL 5.59 3.34 1 108 ALA 4.57 1.63 1 109 ALA 3.71 2.63 1 110 ALA 3.71 2.68 1 111 THR 7.56 1.76 1 112 ASN 4.95 2.14 1 113 ASN 4.35 2.85 1 114 LEU 3.82 0.97 1 116 GLU 3.55 2.92 1 117 ALA 3.96 2.38 1 118 ALA 4.02 0.43 1 119 ASN 3.11 1.90 1 120 ALA 3.67 2.20 1 121 ALA 3.53 2.80 1 122 VAL 4.36 0.47 1 123 GLN 0.33 0.11 1 125 HIS -1.42 0.02 1 126 ALA -0.81 -0.73 1 127 SER -1.96 0.75 1 128 GLN 5.35 1.49 1 129 GLU 3.94 2.71 1 130 LYS 3.16 3.50 1 131 LEU 3.39 0.12 1 132 ILE 5.95 1.77 1 133 SER 4.78 3.58 1 135 ALA 4.01 2.55 1 136 LYS 4.72 3.35 1 137 GLN 4.01 4.29 1 138 VAL 6.56 2.39 1 139 ALA 4.99 2.02 1 140 ALA 3.20 3.26 1 141 SER 5.34 2.26 1 142 THR 8.17 1.13 1 143 ALA 4.09 2.40 1 144 GLN 4.16 2.52 1 145 LEU 4.42 0.36 1 146 LEU 4.95 1.96 1 147 VAL 5.73 1.93 1 148 ALA 3.83 2.75 1 150 LYS 2.93 0.50 1 151 VAL 3.05 0.22 1 152 LYS -2.64 -1.10 1 153 ALA -1.37 -1.11 1 154 ASP -0.28 1.08 1 155 GLN 1.92 -0.38 1 156 ASP -0.10 -0.42 1 157 SER -1.39 1.03 1 158 GLU 3.77 2.68 1 159 ALA 3.95 3.13 1 160 MET 2.49 3.01 1 161 LYS 4.94 3.96 1 162 ARG 4.12 3.31 1 163 LEU 3.54 0.67 1 164 GLN 4.07 2.72 1 165 ALA 3.81 3.35 1 166 ALA 4.23 2.83 1 168 ASN 3.95 2.48 1 169 ALA 4.00 3.34 1 170 VAL 6.12 1.78 1 171 LYS 4.97 1.65 1 172 ARG 3.81 2.30 1 173 ALA 3.15 2.70 1 174 SER 5.83 1.42 1 175 ASP 4.32 2.93 1 176 ASN 3.99 2.91 1 177 LEU 4.40 0.30 1 178 VAL 6.91 1.41 1 179 LYS 4.17 2.82 1 180 ALA 3.50 1.93 1 181 ALA 2.17 1.12 1 182 GLN 2.87 1.61 1 183 LYS 2.03 0.36 1 184 ALA 0.72 -0.14 1 185 ALA 0.28 -0.40 1 186 ALA 0.08 -0.54 1 187 PHE -0.31 -0.29 1 188 GLU -1.26 -1.53 1 stop_ save_