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 bmr6688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.58 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 6.58 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 ILE 5.54 0.81 0 117 ARG 5.22 0.56 0 11 LYS 5.63 0.66 0 40 ASP -1.44 -3.72 0 10 LEU -0.76 -0.71 1 13 THR -1.60 -0.40 1 14 ASP -1.83 -1.38 1 15 THR -0.83 -0.58 1 17 GLN 2.25 -0.10 1 18 ALA -4.31 -1.30 1 20 GLN -3.34 -1.50 1 21 ILE -2.61 -0.16 1 22 GLN -3.93 -1.42 1 23 MET -4.90 -0.01 1 24 SER -2.62 -0.80 1 25 ASP -5.05 -0.30 1 27 ALA -1.52 -0.01 1 28 TYR -2.22 -1.03 1 29 ASN -3.94 0.29 1 30 ILE -3.18 -0.68 1 31 ASN -2.01 0.34 1 32 ILE -3.54 -1.10 1 33 SER -1.65 -1.43 1 34 LEU -3.60 -1.54 1 36 SER 4.55 3.26 1 37 TYR -1.36 0.15 1 38 TYR -4.11 -2.60 1 41 GLN 4.32 3.99 1 42 LYS 3.80 1.93 1 43 SER 5.23 3.42 1 44 LEU 2.94 2.19 1 45 GLU 2.94 3.42 1 46 ASN 3.03 2.83 1 47 TYR 3.64 4.21 1 49 ALA 4.45 3.44 1 50 GLN 4.06 3.09 1 51 THR 7.06 5.11 1 52 ARG 4.68 3.68 1 53 ASP 5.64 3.61 1 54 LYS 4.17 3.25 1 55 PHE 4.12 3.55 1 56 LEU 3.78 2.73 1 57 SER 4.79 3.43 1 58 ALA 2.10 1.55 1 59 ALA 1.76 1.61 1 60 THR 1.40 0.67 1 61 SER 1.43 1.38 1 62 SER -0.35 -0.49 1 63 THR -1.24 -1.04 1 65 ARG -2.82 -1.63 1 66 GLU 0.04 0.21 1 67 ALA -2.41 -0.83 1 69 TYR -1.60 -2.29 1 70 GLU -6.39 -0.99 1 71 LEU -1.70 -1.66 1 72 ASN -4.91 -1.56 1 73 ILE -3.06 -0.92 1 74 THR -3.59 -1.82 1 75 SER -4.20 -0.80 1 76 ALA -5.30 -1.60 1 77 THR -3.45 -2.02 1 78 TYR -5.41 -1.19 1 79 GLN -3.48 -0.70 1 80 SER -3.64 -1.12 1 81 ALA -1.52 -0.61 1 82 ILE 0.20 -0.59 1 85 ARG -1.05 -0.70 1 87 THR -4.17 -1.48 1 88 GLN -5.04 -0.38 1 89 ALA -5.58 -1.56 1 90 VAL -4.57 -2.50 1 91 VAL -2.13 -1.28 1 92 LEU -2.71 -2.30 1 93 LYS -0.85 -0.77 1 94 VAL 0.81 -0.13 1 95 TYR -3.50 -1.98 1 96 GLN -5.04 -1.64 1 97 ASN -2.02 -1.54 1 98 ALA -2.13 -2.54 1 101 THR 2.06 1.33 1 102 HIS 0.16 0.44 1 104 THR -3.24 -1.48 1 105 THR -0.13 0.08 1 106 THR -5.87 -2.73 1 107 TYR -4.74 -1.34 1 108 LYS -4.26 -2.12 1 109 ALA -8.34 -2.77 1 110 PHE -2.19 -0.46 1 111 ASP -4.43 -1.69 1 112 TRP -4.15 -0.63 1 113 ASP -2.18 -0.76 1 114 GLN 1.88 2.14 1 115 ALA 1.92 1.54 1 116 TYR -0.75 -1.41 1 118 LYS -2.24 -1.38 1 120 ILE -1.18 0.03 1 121 THR -4.24 -2.42 1 122 TYR 4.97 5.54 1 123 ASP 2.28 2.32 1 124 THR -0.41 -1.16 1 125 LEU 1.49 1.61 1 126 TRP -6.40 -4.43 1 127 GLN 0.58 0.57 1 128 ALA 1.29 0.95 1 129 ASP 2.85 1.10 1 130 THR -3.25 -0.94 1 131 ASP -1.97 -1.87 1 133 LEU 1.73 3.80 1 135 VAL 1.61 1.53 1 136 VAL 3.16 4.05 1 137 PHE 8.54 5.37 1 139 ILE 4.22 3.72 1 140 VAL 5.55 4.50 1 141 GLN 4.45 4.07 1 143 GLU 1.65 1.70 1 144 LEU 3.62 2.77 1 145 SER 4.39 3.26 1 146 LYS 3.01 2.42 1 147 GLN 2.68 2.51 1 148 THR 0.08 0.70 1 150 GLN -2.76 -1.33 1 151 GLN 1.42 0.46 1 152 VAL -1.16 -0.94 1 153 SER -0.80 -1.43 1 154 ILE -2.40 -1.41 1 155 ALA 0.36 0.10 1 157 ASN 1.32 0.65 1 158 ALA 0.19 0.32 1 160 LEU -0.53 -2.05 1 161 ASP -3.49 -1.57 1 163 VAL 1.27 0.57 1 164 ASN 0.03 -0.02 1 165 TYR 3.37 3.33 1 166 GLN -0.13 -0.09 1 168 PHE -5.56 -3.00 1 169 ALA -4.33 -1.88 1 170 VAL 3.21 1.56 1 171 THR -5.60 -2.75 1 172 ASN 4.87 3.15 1 173 ASP -0.61 0.48 1 175 VAL 0.76 0.37 1 176 ILE -1.67 -1.24 1 177 PHE -3.89 0.29 1 178 PHE -1.09 -1.34 1 179 PHE -2.40 -1.14 1 180 ASN -0.20 0.12 1 183 GLU 0.58 0.36 1 184 LEU -0.29 -1.98 1 185 LEU -3.59 -2.48 1 187 GLU 3.61 3.09 1 188 ALA 0.97 0.63 1 189 ALA -0.88 0.00 1 192 THR -3.25 -1.47 1 193 GLN -5.97 -2.58 1 194 VAL -5.86 -1.26 1 195 LEU 0.12 -0.72 1 196 VAL 0.00 -0.41 1 198 ARG 4.87 3.91 1 199 SER 3.98 2.11 1 200 ALA 0.00 0.92 1 201 ILE -2.62 -0.49 1 202 ASP 4.01 3.82 1 203 SER 2.69 1.69 1 204 MET -2.30 0.42 1 205 LEU 0.41 0.52 1 206 ALA 1.89 1.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 5.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.42 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 ILE 5.54 -4.73 0 117 ARG 5.22 -4.66 0 11 LYS 5.63 -4.97 0 40 ASP -1.44 -2.28 0 10 LEU -0.76 0.05 1 13 THR -1.60 1.20 1 14 ASP -1.83 0.45 1 15 THR -0.83 0.25 1 17 GLN 2.25 -2.35 1 18 ALA -4.31 3.01 1 20 GLN -3.34 1.84 1 21 ILE -2.61 2.45 1 22 GLN -3.93 2.51 1 23 MET -4.90 4.89 1 24 SER -2.62 1.82 1 25 ASP -5.05 4.75 1 27 ALA -1.52 1.51 1 28 TYR -2.22 1.19 1 29 ASN -3.94 4.23 1 30 ILE -3.18 2.50 1 31 ASN -2.01 2.35 1 32 ILE -3.54 2.44 1 33 SER -1.65 0.22 1 34 LEU -3.60 2.06 1 36 SER 4.55 -1.29 1 37 TYR -1.36 1.51 1 38 TYR -4.11 1.51 1 41 GLN 4.32 -0.33 1 42 LYS 3.80 -1.87 1 43 SER 5.23 -1.81 1 44 LEU 2.94 -0.75 1 45 GLU 2.94 0.48 1 46 ASN 3.03 -0.20 1 47 TYR 3.64 0.57 1 49 ALA 4.45 -1.01 1 50 GLN 4.06 -0.97 1 51 THR 7.06 -1.95 1 52 ARG 4.68 -1.00 1 53 ASP 5.64 -2.03 1 54 LYS 4.17 -0.92 1 55 PHE 4.12 -0.57 1 56 LEU 3.78 -1.05 1 57 SER 4.79 -1.36 1 58 ALA 2.10 -0.55 1 59 ALA 1.76 -0.15 1 60 THR 1.40 -0.73 1 61 SER 1.43 -0.05 1 62 SER -0.35 -0.14 1 63 THR -1.24 0.20 1 65 ARG -2.82 1.19 1 66 GLU 0.04 0.17 1 67 ALA -2.41 1.58 1 69 TYR -1.60 -0.69 1 70 GLU -6.39 5.40 1 71 LEU -1.70 0.04 1 72 ASN -4.91 3.35 1 73 ILE -3.06 2.14 1 74 THR -3.59 1.77 1 75 SER -4.20 3.40 1 76 ALA -5.30 3.70 1 77 THR -3.45 1.43 1 78 TYR -5.41 4.22 1 79 GLN -3.48 2.78 1 80 SER -3.64 2.52 1 81 ALA -1.52 0.91 1 82 ILE 0.20 -0.79 1 85 ARG -1.05 0.35 1 87 THR -4.17 2.69 1 88 GLN -5.04 4.66 1 89 ALA -5.58 4.02 1 90 VAL -4.57 2.07 1 91 VAL -2.13 0.85 1 92 LEU -2.71 0.41 1 93 LYS -0.85 0.08 1 94 VAL 0.81 -0.94 1 95 TYR -3.50 1.52 1 96 GLN -5.04 3.40 1 97 ASN -2.02 0.48 1 98 ALA -2.13 -0.41 1 101 THR 2.06 -0.73 1 102 HIS 0.16 0.28 1 104 THR -3.24 1.76 1 105 THR -0.13 0.21 1 106 THR -5.87 3.14 1 107 TYR -4.74 3.40 1 108 LYS -4.26 2.14 1 109 ALA -8.34 5.57 1 110 PHE -2.19 1.73 1 111 ASP -4.43 2.74 1 112 TRP -4.15 3.52 1 113 ASP -2.18 1.42 1 114 GLN 1.88 0.26 1 115 ALA 1.92 -0.38 1 116 TYR -0.75 -0.66 1 118 LYS -2.24 0.86 1 120 ILE -1.18 1.21 1 121 THR -4.24 1.82 1 122 TYR 4.97 0.57 1 123 ASP 2.28 0.04 1 124 THR -0.41 -0.75 1 125 LEU 1.49 0.12 1 126 TRP -6.40 1.97 1 127 GLN 0.58 -0.01 1 128 ALA 1.29 -0.34 1 129 ASP 2.85 -1.75 1 130 THR -3.25 2.31 1 131 ASP -1.97 0.10 1 133 LEU 1.73 2.07 1 135 VAL 1.61 -0.08 1 136 VAL 3.16 0.89 1 137 PHE 8.54 -3.17 1 139 ILE 4.22 -0.50 1 140 VAL 5.55 -1.05 1 141 GLN 4.45 -0.38 1 143 GLU 1.65 0.05 1 144 LEU 3.62 -0.85 1 145 SER 4.39 -1.13 1 146 LYS 3.01 -0.59 1 147 GLN 2.68 -0.17 1 148 THR 0.08 0.62 1 150 GLN -2.76 1.43 1 151 GLN 1.42 -0.96 1 152 VAL -1.16 0.22 1 153 SER -0.80 -0.63 1 154 ILE -2.40 0.99 1 155 ALA 0.36 -0.26 1 157 ASN 1.32 -0.67 1 158 ALA 0.19 0.13 1 160 LEU -0.53 -1.52 1 161 ASP -3.49 1.92 1 163 VAL 1.27 -0.70 1 164 ASN 0.03 -0.05 1 165 TYR 3.37 -0.04 1 166 GLN -0.13 0.04 1 168 PHE -5.56 2.56 1 169 ALA -4.33 2.45 1 170 VAL 3.21 -1.65 1 171 THR -5.60 2.85 1 172 ASN 4.87 -1.72 1 173 ASP -0.61 1.09 1 175 VAL 0.76 -0.39 1 176 ILE -1.67 0.43 1 177 PHE -3.89 4.18 1 178 PHE -1.09 -0.25 1 179 PHE -2.40 1.26 1 180 ASN -0.20 0.32 1 183 GLU 0.58 -0.22 1 184 LEU -0.29 -1.69 1 185 LEU -3.59 1.11 1 187 GLU 3.61 -0.52 1 188 ALA 0.97 -0.34 1 189 ALA -0.88 0.88 1 192 THR -3.25 1.78 1 193 GLN -5.97 3.39 1 194 VAL -5.86 4.60 1 195 LEU 0.12 -0.84 1 196 VAL 0.00 -0.41 1 198 ARG 4.87 -0.96 1 199 SER 3.98 -1.87 1 200 ALA 0.00 0.92 1 201 ILE -2.62 2.13 1 202 ASP 4.01 -0.19 1 203 SER 2.69 -1.00 1 204 MET -2.30 2.72 1 205 LEU 0.41 0.11 1 206 ALA 1.89 -0.32 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 0.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _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 122 TYR 4.97 0.48 0 89 ALA -5.58 1.62 0 137 PHE 8.54 -0.16 0 10 LEU -0.76 -0.19 1 11 LYS 5.63 -0.37 1 13 THR -1.60 0.04 1 14 ASP -1.83 0.71 1 15 THR -0.83 0.10 1 18 ALA -4.31 0.38 1 20 GLN -3.34 1.00 1 21 ILE -2.61 0.23 1 22 GLN -3.93 1.03 1 23 MET -4.90 0.33 1 24 SER -2.62 0.68 1 25 ASP -5.05 -0.14 1 27 ALA -1.52 0.08 1 28 TYR -2.22 1.27 1 29 ASN -3.94 0.70 1 30 ILE -3.18 0.83 1 31 ASN -2.01 0.59 1 32 ILE -3.54 0.63 1 33 SER -1.65 0.67 1 34 LEU -3.60 0.19 1 36 SER 4.55 -0.18 1 37 TYR -1.36 -0.72 1 38 TYR -4.11 -0.22 1 41 GLN 4.32 -0.72 1 42 LYS 3.80 -0.25 1 43 SER 5.23 -0.28 1 44 LEU 2.94 -0.86 1 45 GLU 2.94 -0.77 1 46 ASN 3.03 -0.32 1 47 TYR 3.64 -0.30 1 48 ILE 5.54 -0.81 1 49 ALA 4.45 -0.66 1 50 GLN 4.06 0.06 1 51 THR 7.06 -0.73 1 52 ARG 4.68 0.44 1 53 ASP 5.64 -0.25 1 54 LYS 4.17 -0.25 1 55 PHE 4.12 -0.47 1 56 LEU 3.78 -0.89 1 57 SER 4.79 0.14 1 58 ALA 2.10 -0.03 1 59 ALA 1.76 -0.55 1 60 THR 1.40 -0.01 1 61 SER 1.43 -0.10 1 62 SER -0.35 0.07 1 63 THR -1.24 -0.24 1 65 ARG -2.82 0.41 1 66 GLU 0.04 -0.28 1 67 ALA -2.41 0.11 1 69 TYR -1.60 0.56 1 70 GLU -6.39 1.26 1 71 LEU -1.70 0.52 1 72 ASN -4.91 1.24 1 73 ILE -3.06 1.34 1 74 THR -3.59 0.62 1 75 SER -4.20 1.13 1 76 ALA -5.30 0.38 1 77 THR -3.45 0.93 1 78 TYR -5.41 0.29 1 79 GLN -3.48 0.95 1 80 SER -3.64 0.34 1 81 ALA -1.52 0.44 1 82 ILE 0.20 -0.05 1 85 ARG -1.05 0.19 1 87 THR -4.17 1.38 1 88 GLN -5.04 1.03 1 90 VAL -4.57 0.84 1 91 VAL -2.13 0.28 1 92 LEU -2.71 0.73 1 93 LYS -0.85 0.23 1 94 VAL 0.81 0.22 1 95 TYR -3.50 1.03 1 96 GLN -5.04 0.71 1 97 ASN -2.02 0.03 1 98 ALA -2.13 -0.71 1 101 THR 2.06 -0.04 1 102 HIS 0.16 -0.02 1 104 THR -3.24 0.48 1 105 THR -0.13 1.11 1 106 THR -5.87 0.30 1 107 TYR -4.74 1.16 1 108 LYS -4.26 -0.06 1 109 ALA -8.34 0.85 1 110 PHE -2.19 0.01 1 111 ASP -4.43 1.18 1 112 TRP -4.15 0.37 1 113 ASP -2.18 -0.03 1 114 GLN 1.88 -0.16 1 115 ALA 1.92 -0.05 1 116 TYR -0.75 -0.10 1 117 ARG 5.22 -0.98 1 118 LYS -2.24 -0.35 1 120 ILE -1.18 -0.04 1 121 THR -4.24 0.65 1 123 ASP 2.28 -0.03 1 124 THR -0.41 0.27 1 125 LEU 1.49 -0.78 1 126 TRP -6.40 0.51 1 127 GLN 0.58 -0.26 1 128 ALA 1.29 -0.11 1 129 ASP 2.85 -0.25 1 130 THR -3.25 -0.01 1 131 ASP -1.97 0.05 1 133 LEU 1.73 -0.72 1 135 VAL 1.61 -0.22 1 136 VAL 3.16 -0.64 1 139 ILE 4.22 -0.37 1 140 VAL 5.55 0.15 1 141 GLN 4.45 -0.73 1 143 GLU 1.65 -0.09 1 144 LEU 3.62 -0.26 1 145 SER 4.39 -0.44 1 146 LYS 3.01 -0.24 1 147 GLN 2.68 -0.16 1 148 THR 0.08 0.05 1 150 GLN -2.76 0.11 1 151 GLN 1.42 -0.15 1 152 VAL -1.16 0.03 1 153 SER -0.80 0.09 1 154 ILE -2.40 -0.07 1 155 ALA 0.36 -0.09 1 157 ASN 1.32 -0.53 1 158 ALA 0.19 -0.03 1 160 LEU -0.53 -0.05 1 161 ASP -3.49 0.08 1 163 VAL 1.27 -0.26 1 164 ASN 0.03 0.15 1 165 TYR 3.37 0.43 1 166 GLN -0.13 0.00 1 169 ALA -4.33 0.57 1 170 VAL 3.21 0.17 1 171 THR -5.60 0.70 1 172 ASN 4.87 -0.26 1 173 ASP -0.61 0.08 1 175 VAL 0.76 0.22 1 176 ILE -1.67 0.31 1 177 PHE -3.89 -0.03 1 178 PHE -1.09 -0.27 1 179 PHE -2.40 0.67 1 180 ASN -0.20 0.55 1 183 GLU 0.58 -0.34 1 184 LEU -0.29 0.00 1 185 LEU -3.59 -0.09 1 187 GLU 3.61 0.43 1 188 ALA 0.97 -0.18 1 189 ALA -0.88 -0.03 1 192 THR -3.25 0.60 1 193 GLN -5.97 1.06 1 194 VAL -5.86 0.17 1 195 LEU 0.12 0.06 1 196 VAL 0.00 0.07 1 198 ARG 4.87 0.09 1 199 SER 3.98 -0.29 1 200 ALA 0.00 0.09 1 201 ILE -2.62 0.61 1 202 ASP 4.01 -0.36 1 203 SER 2.69 -0.16 1 204 MET -2.30 0.11 1 205 LEU 0.41 0.04 1 206 ALA 1.89 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -3.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 8.54 _LACS_plot.Line_2_terminator_val_y_2 2.54 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 177 PHE -3.89 4.40 0 10 LEU -0.76 -3.10 1 11 LYS 5.63 0.30 1 13 THR -1.60 -1.80 1 14 ASP -1.83 1.00 1 15 THR -0.83 1.00 1 17 GLN 2.25 -0.90 1 18 ALA -4.31 -3.10 1 20 GLN -3.34 -0.40 1 21 ILE -2.61 -2.10 1 22 GLN -3.93 -0.90 1 23 MET -4.90 -2.00 1 24 SER -2.62 -3.20 1 25 ASP -5.05 -1.50 1 27 ALA -1.52 0.90 1 28 TYR -2.22 -4.70 1 29 ASN -3.94 -1.30 1 30 ILE -3.18 -1.30 1 31 ASN -2.01 -1.90 1 32 ILE -3.54 -2.50 1 33 SER -1.65 -1.20 1 34 LEU -3.60 -1.50 1 36 SER 4.55 -1.50 1 37 TYR -1.36 -2.30 1 38 TYR -4.11 -1.30 1 40 ASP -1.44 -1.30 1 41 GLN 4.32 1.80 1 42 LYS 3.80 2.30 1 43 SER 5.23 2.20 1 44 LEU 2.94 -0.40 1 45 GLU 2.94 1.30 1 46 ASN 3.03 2.20 1 47 TYR 3.64 3.20 1 48 ILE 5.54 0.50 1 49 ALA 4.45 1.30 1 50 GLN 4.06 3.00 1 51 THR 7.06 1.90 1 52 ARG 4.68 0.70 1 53 ASP 5.64 3.20 1 54 LYS 4.17 1.50 1 55 PHE 4.12 1.20 1 56 LEU 3.78 2.60 1 57 SER 4.79 1.20 1 58 ALA 2.10 2.60 1 59 ALA 1.76 1.30 1 60 THR 1.40 0.70 1 61 SER 1.43 -0.20 1 62 SER -0.35 -1.80 1 63 THR -1.24 -1.00 1 65 ARG -2.82 -1.40 1 66 GLU 0.04 -1.30 1 67 ALA -2.41 -1.90 1 69 TYR -1.60 0.00 1 70 GLU -6.39 -2.90 1 71 LEU -1.70 -3.20 1 72 ASN -4.91 -0.60 1 73 ILE -3.06 -0.70 1 74 THR -3.59 -1.40 1 75 SER -4.20 -1.80 1 76 ALA -5.30 -2.00 1 77 THR -3.45 -1.40 1 78 TYR -5.41 -1.10 1 79 GLN -3.48 -2.00 1 80 SER -3.64 -0.70 1 81 ALA -1.52 -1.80 1 82 ILE 0.20 -1.40 1 85 ARG -1.05 -1.10 1 87 THR -4.17 3.00 1 88 GLN -5.04 -2.30 1 89 ALA -5.58 -0.50 1 90 VAL -4.57 -3.90 1 91 VAL -2.13 -0.90 1 92 LEU -2.71 -3.00 1 93 LYS -0.85 -1.30 1 94 VAL 0.81 -1.80 1 95 TYR -3.50 -1.90 1 96 GLN -5.04 -2.50 1 97 ASN -2.02 -1.20 1 98 ALA -2.13 -1.90 1 101 THR 2.06 -0.10 1 102 HIS 0.16 -0.30 1 104 THR -3.24 -2.00 1 105 THR -0.13 -1.50 1 106 THR -5.87 -2.00 1 107 TYR -4.74 1.00 1 108 LYS -4.26 -3.60 1 109 ALA -8.34 -2.80 1 110 PHE -2.19 -1.50 1 111 ASP -4.43 -1.20 1 112 TRP -4.15 -2.70 1 113 ASP -2.18 0.00 1 114 GLN 1.88 1.20 1 115 ALA 1.92 1.70 1 116 TYR -0.75 -0.80 1 117 ARG 5.22 -2.60 1 118 LYS -2.24 -3.30 1 120 ILE -1.18 -1.20 1 121 THR -4.24 0.80 1 122 TYR 4.97 0.30 1 123 ASP 2.28 1.30 1 124 THR -0.41 0.70 1 125 LEU 1.49 -1.10 1 126 TRP -6.40 0.90 1 127 GLN 0.58 0.40 1 128 ALA 1.29 0.00 1 129 ASP 2.85 -0.70 1 130 THR -3.25 -1.10 1 131 ASP -1.97 1.40 1 133 LEU 1.73 -0.20 1 135 VAL 1.61 1.10 1 136 VAL 3.16 0.80 1 137 PHE 8.54 -0.50 1 139 ILE 4.22 2.10 1 140 VAL 5.55 1.00 1 141 GLN 4.45 3.00 1 143 GLU 1.65 3.20 1 144 LEU 3.62 2.40 1 145 SER 4.39 1.50 1 146 LYS 3.01 2.40 1 147 GLN 2.68 2.00 1 148 THR 0.08 0.70 1 150 GLN -2.76 -1.80 1 151 GLN 1.42 0.30 1 152 VAL -1.16 -1.20 1 153 SER -0.80 -1.10 1 154 ILE -2.40 -1.20 1 155 ALA 0.36 1.20 1 157 ASN 1.32 -0.20 1 158 ALA 0.19 0.20 1 160 LEU -0.53 -2.40 1 161 ASP -3.49 0.40 1 163 VAL 1.27 -0.50 1 164 ASN 0.03 -0.20 1 165 TYR 3.37 0.00 1 166 GLN -0.13 1.80 1 168 PHE -5.56 -1.10 1 169 ALA -4.33 -2.70 1 170 VAL 3.21 -1.40 1 171 THR -5.60 0.90 1 172 ASN 4.87 2.20 1 173 ASP -0.61 0.50 1 175 VAL 0.76 -0.60 1 176 ILE -1.67 -1.40 1 178 PHE -1.09 -1.60 1 179 PHE -2.40 0.00 1 180 ASN -0.20 -0.30 1 183 GLU 0.58 -1.20 1 187 GLU 3.61 0.70 1 188 ALA 0.97 0.00 1 189 ALA -0.88 -1.30 1 192 THR -3.25 -2.60 1 193 GLN -5.97 -1.60 1 194 VAL -5.86 -2.80 1 195 LEU 0.12 -3.10 1 196 VAL 0.00 -1.40 1 198 ARG 4.87 1.10 1 199 SER 3.98 1.20 1 200 ALA 0.00 1.20 1 201 ILE -2.62 0.40 1 202 ASP 4.01 1.80 1 203 SER 2.69 0.20 1 204 MET -2.30 -0.20 1 205 LEU 0.41 -0.70 1 206 ALA 1.89 5.50 1 stop_ save_