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 bmr10004_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 -3.34 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.41 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 4.92 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 LYS -0.81 -2.07 0 78 ILE -5.16 -4.49 0 11 GLU 3.81 3.25 1 12 SER 4.82 3.34 1 13 VAL 4.83 3.58 1 14 ARG 6.18 4.90 1 15 ASP 4.22 3.33 1 16 ALA 2.15 2.69 1 17 LEU 3.86 2.34 1 18 VAL 5.19 3.88 1 19 ARG 5.19 4.05 1 20 ALA 3.77 2.78 1 21 GLN 5.14 3.68 1 22 ASP 3.74 2.09 1 23 TYR 3.11 2.85 1 24 ILE 5.32 5.27 1 26 SER -2.77 -1.01 1 27 LYS 3.47 2.98 1 28 GLU 3.21 2.13 1 29 ALA -3.88 -0.98 1 30 LYS -0.21 -1.04 1 31 ILE -4.43 -1.54 1 33 PHE 2.84 1.85 1 34 VAL 0.52 0.94 1 35 GLU 0.87 0.27 1 36 ARG 3.40 2.72 1 37 GLU 3.05 1.18 1 38 ASN -1.50 -0.75 1 39 PHE -0.04 -0.11 1 40 HIS -0.77 0.46 1 41 ILE -2.41 -0.54 1 42 THR 3.91 2.30 1 43 LEU 0.64 1.08 1 44 LYS -2.86 0.62 1 45 PHE 0.92 0.95 1 46 LEU 0.64 0.07 1 48 GLU -0.19 -0.74 1 49 ILE -6.27 -2.09 1 50 THR -4.11 -1.91 1 51 GLU 4.80 3.45 1 52 GLU 4.77 3.42 1 53 GLN 3.07 3.58 1 54 ALA 5.38 3.50 1 55 GLU 2.63 2.67 1 56 GLU 3.34 2.43 1 57 ILE 5.32 4.42 1 58 LYS 5.37 4.95 1 59 LYS 3.93 3.12 1 60 ILE 3.31 3.17 1 61 LEU 4.42 2.42 1 62 GLU 3.33 2.69 1 63 LYS 3.04 2.78 1 64 ILE 4.34 4.32 1 65 ALA 3.40 3.07 1 66 LYS 1.23 1.02 1 67 LYS 1.13 1.25 1 68 TYR -3.80 -0.38 1 69 LYS -3.47 -1.74 1 70 LYS 0.95 2.07 1 71 HIS -1.62 0.22 1 72 GLU -2.14 -0.72 1 73 VAL -3.70 -2.31 1 74 ASN -3.57 -0.74 1 75 VAL 1.80 0.02 1 76 ARG -3.27 -0.27 1 80 VAL -7.68 -4.36 1 81 PHE -5.90 -1.94 1 83 ASN 2.13 1.61 1 85 ASN 0.74 1.05 1 86 TYR -0.67 -1.54 1 87 VAL 2.62 1.87 1 88 ARG -1.71 0.41 1 89 VAL -4.49 -0.52 1 90 ILE -3.44 -1.01 1 91 TRP -8.35 -3.48 1 92 ALA -5.58 -2.75 1 94 VAL -2.49 -1.09 1 95 GLU -2.60 -0.88 1 96 ASN 2.65 1.23 1 97 ASP 0.41 -0.53 1 98 GLU 5.18 4.42 1 99 ILE 5.81 3.18 1 100 ILE 6.41 5.13 1 101 LYS 4.93 4.18 1 102 LYS 4.47 3.95 1 103 ILE 5.76 4.80 1 104 ALA 5.04 3.06 1 105 LYS 3.74 2.98 1 106 GLU 5.01 3.97 1 107 ILE 6.12 5.20 1 108 ASP 2.94 3.54 1 109 ASP 4.19 3.31 1 110 GLU 2.43 2.24 1 111 LEU 6.17 2.63 1 112 ALA 3.43 2.27 1 113 LYS 3.44 2.32 1 114 LEU -1.02 -0.57 1 116 PHE 1.84 0.94 1 117 LYS 0.65 0.52 1 118 LYS 0.68 0.64 1 119 GLU -1.08 -0.25 1 121 ASN -0.27 0.08 1 122 PHE 0.77 1.54 1 123 VAL -3.44 -1.89 1 124 ALA 0.04 -0.79 1 125 HIS -4.43 -1.52 1 126 ILE -3.43 -1.22 1 127 THR 6.17 4.77 1 128 LEU -2.72 0.37 1 130 ARG -2.68 -1.24 1 131 VAL 1.66 1.24 1 132 LYS 1.12 0.76 1 133 PHE -2.12 -0.29 1 134 VAL 0.83 0.77 1 135 LYS 0.70 1.27 1 136 ASP -2.59 -2.14 1 137 LYS 4.48 4.02 1 138 LEU 3.79 2.61 1 140 LEU 4.02 2.97 1 141 ALA 4.13 3.03 1 142 MET 3.68 3.15 1 143 LYS 3.07 3.25 1 144 LEU 5.10 2.76 1 145 LYS 4.01 3.21 1 146 GLU 3.10 2.12 1 147 LEU -1.37 -0.33 1 148 ALA 3.26 3.61 1 149 ASN -2.53 -1.56 1 150 GLU 0.99 0.28 1 151 ASP -0.78 -0.35 1 152 PHE 1.64 0.87 1 154 SER -4.52 -1.69 1 155 PHE -3.09 -1.73 1 156 ILE -1.09 -1.66 1 157 VAL 2.96 0.74 1 158 GLU -1.61 0.36 1 159 ALA -4.88 -1.07 1 160 ILE -3.17 -1.08 1 161 GLU -4.73 -1.70 1 162 LEU -3.51 -1.27 1 163 LYS -4.45 -1.79 1 164 LYS -5.59 -2.31 1 165 SER -3.65 -1.98 1 166 THR -1.21 0.03 1 167 LEU 0.96 0.35 1 168 THR -0.36 0.09 1 170 LYS -0.20 -0.45 1 173 ILE -3.17 -1.37 1 174 TYR -4.93 -3.91 1 175 GLU -5.54 -1.93 1 176 THR 3.79 2.69 1 177 LEU 0.42 0.74 1 178 ALA -4.81 -0.46 1 179 ARG -3.40 -1.07 1 180 PHE -1.89 -1.39 1 181 GLU 0.11 0.58 1 182 LEU 0.54 0.03 1 183 SER 1.15 1.48 1 184 GLU -1.33 -0.31 1 185 HIS -0.01 0.35 1 186 HIS 0.28 0.51 1 187 HIS 0.08 0.44 1 188 HIS 0.04 0.61 1 189 HIS 0.02 0.56 1 190 HIS 1.66 2.35 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10004_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 5.01 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.59 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -1.48 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 LYS -0.81 -1.26 0 78 ILE -5.16 0.67 0 11 GLU 3.81 -0.56 1 12 SER 4.82 -1.48 1 13 VAL 4.83 -1.25 1 14 ARG 6.18 -1.28 1 15 ASP 4.22 -0.89 1 16 ALA 2.15 0.54 1 17 LEU 3.86 -1.52 1 18 VAL 5.19 -1.31 1 19 ARG 5.19 -1.14 1 20 ALA 3.77 -0.99 1 21 GLN 5.14 -1.46 1 22 ASP 3.74 -1.65 1 23 TYR 3.11 -0.26 1 24 ILE 5.32 -0.05 1 26 SER -2.77 1.76 1 27 LYS 3.47 -0.49 1 28 GLU 3.21 -1.08 1 29 ALA -3.88 2.90 1 30 LYS -0.21 -0.83 1 31 ILE -4.43 2.89 1 33 PHE 2.84 -0.99 1 34 VAL 0.52 0.42 1 35 GLU 0.87 -0.60 1 36 ARG 3.40 -0.68 1 37 GLU 3.05 -1.87 1 38 ASN -1.50 0.75 1 39 PHE -0.04 -0.07 1 40 HIS -0.77 1.23 1 41 ILE -2.41 1.87 1 42 THR 3.91 -1.61 1 43 LEU 0.64 0.44 1 44 LYS -2.86 3.48 1 45 PHE 0.92 0.03 1 46 LEU 0.64 -0.57 1 48 GLU -0.19 -0.55 1 49 ILE -6.27 4.18 1 50 THR -4.11 2.20 1 51 GLU 4.80 -1.35 1 52 GLU 4.77 -1.35 1 53 GLN 3.07 0.51 1 54 ALA 5.38 -1.88 1 55 GLU 2.63 0.04 1 56 GLU 3.34 -0.91 1 57 ILE 5.32 -0.90 1 58 LYS 5.37 -0.42 1 59 LYS 3.93 -0.81 1 60 ILE 3.31 -0.14 1 61 LEU 4.42 -2.00 1 62 GLU 3.33 -0.64 1 63 LYS 3.04 -0.26 1 64 ILE 4.34 -0.02 1 65 ALA 3.40 -0.33 1 66 LYS 1.23 -0.21 1 67 LYS 1.13 0.12 1 68 TYR -3.80 3.42 1 69 LYS -3.47 1.73 1 70 LYS 0.95 1.12 1 71 HIS -1.62 1.84 1 72 GLU -2.14 1.42 1 73 VAL -3.70 1.39 1 74 ASN -3.57 2.83 1 75 VAL 1.80 -1.78 1 76 ARG -3.27 3.00 1 80 VAL -7.68 3.32 1 81 PHE -5.90 3.96 1 83 ASN 2.13 -0.52 1 85 ASN 0.74 0.31 1 86 TYR -0.67 -0.87 1 87 VAL 2.62 -0.75 1 88 ARG -1.71 2.12 1 89 VAL -4.49 3.97 1 90 ILE -3.44 2.43 1 91 TRP -8.35 4.87 1 92 ALA -5.58 2.83 1 94 VAL -2.49 1.40 1 95 GLU -2.60 1.72 1 96 ASN 2.65 -1.42 1 97 ASP 0.41 -0.94 1 98 GLU 5.18 -0.76 1 99 ILE 5.81 -2.63 1 100 ILE 6.41 -1.28 1 101 LYS 4.93 -0.75 1 102 LYS 4.47 -0.52 1 103 ILE 5.76 -0.96 1 104 ALA 5.04 -1.98 1 105 LYS 3.74 -0.76 1 106 GLU 5.01 -1.04 1 107 ILE 6.12 -0.92 1 108 ASP 2.94 0.60 1 109 ASP 4.19 -0.88 1 110 GLU 2.43 -0.19 1 111 LEU 6.17 -3.54 1 112 ALA 3.43 -1.16 1 113 LYS 3.44 -1.12 1 114 LEU -1.02 0.45 1 116 PHE 1.84 -0.90 1 117 LYS 0.65 -0.13 1 118 LYS 0.68 -0.04 1 119 GLU -1.08 0.83 1 121 ASN -0.27 0.35 1 122 PHE 0.77 0.77 1 123 VAL -3.44 1.55 1 124 ALA 0.04 -0.83 1 125 HIS -4.43 2.91 1 126 ILE -3.43 2.21 1 127 THR 6.17 -1.40 1 128 LEU -2.72 3.09 1 130 ARG -2.68 1.44 1 131 VAL 1.66 -0.42 1 132 LYS 1.12 -0.36 1 133 PHE -2.12 1.83 1 134 VAL 0.83 -0.06 1 135 LYS 0.70 0.57 1 136 ASP -2.59 0.45 1 137 LYS 4.48 -0.46 1 138 LEU 3.79 -1.18 1 140 LEU 4.02 -1.05 1 141 ALA 4.13 -1.10 1 142 MET 3.68 -0.53 1 143 LYS 3.07 0.18 1 144 LEU 5.10 -2.34 1 145 LYS 4.01 -0.80 1 146 GLU 3.10 -0.98 1 147 LEU -1.37 1.04 1 148 ALA 3.26 0.35 1 149 ASN -2.53 0.97 1 150 GLU 0.99 -0.71 1 151 ASP -0.78 0.43 1 152 PHE 1.64 -0.77 1 154 SER -4.52 2.83 1 155 PHE -3.09 1.36 1 156 ILE -1.09 -0.57 1 157 VAL 2.96 -2.22 1 158 GLU -1.61 1.97 1 159 ALA -4.88 3.81 1 160 ILE -3.17 2.09 1 161 GLU -4.73 3.03 1 162 LEU -3.51 2.24 1 163 LYS -4.45 2.66 1 164 LYS -5.59 3.28 1 165 SER -3.65 1.67 1 166 THR -1.21 1.24 1 167 LEU 0.96 -0.61 1 168 THR -0.36 0.45 1 170 LYS -0.20 -0.25 1 173 ILE -3.17 1.80 1 174 TYR -4.93 1.02 1 175 GLU -5.54 3.61 1 176 THR 3.79 -1.10 1 177 LEU 0.42 0.32 1 178 ALA -4.81 4.35 1 179 ARG -3.40 2.33 1 180 PHE -1.89 0.50 1 181 GLU 0.11 0.47 1 182 LEU 0.54 -0.51 1 183 SER 1.15 0.33 1 184 GLU -1.33 1.02 1 185 HIS -0.01 0.36 1 186 HIS 0.28 0.23 1 187 HIS 0.08 0.36 1 188 HIS 0.04 0.57 1 189 HIS 0.02 0.54 1 190 HIS 1.66 0.69 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10004_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 0.98 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.40 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 VAL 1.80 0.76 0 112 ALA 3.43 0.57 0 174 TYR -4.93 1.45 0 92 ALA -5.58 1.49 0 123 VAL -3.44 -0.42 0 11 GLU 3.81 -0.46 1 12 SER 4.82 -0.15 1 13 VAL 4.83 -0.12 1 14 ARG 6.18 -0.54 1 15 ASP 4.22 -0.23 1 16 ALA 2.15 -0.10 1 17 LEU 3.86 -0.69 1 18 VAL 5.19 -0.02 1 19 ARG 5.19 -0.20 1 20 ALA 3.77 -0.01 1 21 GLN 5.14 -0.86 1 22 ASP 3.74 -0.40 1 23 TYR 3.11 -0.34 1 24 ILE 5.32 -0.85 1 26 SER -2.77 1.03 1 27 LYS 3.47 -0.15 1 28 GLU 3.21 -0.01 1 29 ALA -3.88 0.14 1 30 LYS -0.21 0.19 1 31 ILE -4.43 0.05 1 32 LYS -0.81 0.25 1 33 PHE 2.84 0.16 1 34 VAL 0.52 -0.27 1 35 GLU 0.87 -0.33 1 36 ARG 3.40 -0.96 1 37 GLU 3.05 -0.22 1 38 ASN -1.50 0.30 1 39 PHE -0.04 0.58 1 40 HIS -0.77 0.27 1 41 ILE -2.41 0.31 1 42 THR 3.91 0.09 1 43 LEU 0.64 0.17 1 44 LYS -2.86 0.09 1 45 PHE 0.92 0.09 1 46 LEU 0.64 -0.04 1 48 GLU -0.19 0.41 1 49 ILE -6.27 1.10 1 50 THR -4.11 0.39 1 51 GLU 4.80 -0.37 1 52 GLU 4.77 -0.25 1 53 GLN 3.07 -0.18 1 54 ALA 5.38 -0.59 1 55 GLU 2.63 -0.19 1 56 GLU 3.34 -0.23 1 57 ILE 5.32 -0.72 1 58 LYS 5.37 -0.61 1 59 LYS 3.93 -0.32 1 60 ILE 3.31 -0.48 1 61 LEU 4.42 -0.72 1 62 GLU 3.33 -0.78 1 63 LYS 3.04 -0.33 1 64 ILE 4.34 -0.55 1 65 ALA 3.40 -0.44 1 66 LYS 1.23 -0.07 1 67 LYS 1.13 -0.31 1 68 TYR -3.80 0.14 1 69 LYS -3.47 0.58 1 70 LYS 0.95 0.03 1 71 HIS -1.62 0.12 1 72 GLU -2.14 0.44 1 73 VAL -3.70 0.62 1 74 ASN -3.57 0.50 1 76 ARG -3.27 0.80 1 78 ILE -5.16 1.08 1 80 VAL -7.68 0.94 1 81 PHE -5.90 0.30 1 83 ASN 2.13 -0.16 1 85 ASN 0.74 -0.17 1 86 TYR -0.67 0.13 1 87 VAL 2.62 -0.63 1 88 ARG -1.71 0.45 1 89 VAL -4.49 0.72 1 90 ILE -3.44 0.49 1 91 TRP -8.35 0.79 1 94 VAL -2.49 0.78 1 95 GLU -2.60 0.28 1 96 ASN 2.65 0.05 1 97 ASP 0.41 -0.08 1 98 GLU 5.18 -0.47 1 99 ILE 5.81 -0.44 1 100 ILE 6.41 -0.75 1 101 LYS 4.93 -0.55 1 102 LYS 4.47 -0.35 1 103 ILE 5.76 -1.13 1 104 ALA 5.04 -0.81 1 105 LYS 3.74 -0.29 1 106 GLU 5.01 -0.22 1 107 ILE 6.12 -0.94 1 108 ASP 2.94 -0.39 1 109 ASP 4.19 -0.26 1 110 GLU 2.43 -0.10 1 111 LEU 6.17 -0.10 1 113 LYS 3.44 -0.10 1 114 LEU -1.02 0.24 1 116 PHE 1.84 -0.19 1 117 LYS 0.65 -0.12 1 118 LYS 0.68 0.09 1 119 GLU -1.08 0.07 1 121 ASN -0.27 -0.04 1 122 PHE 0.77 -0.19 1 124 ALA 0.04 -0.32 1 125 HIS -4.43 0.46 1 126 ILE -3.43 0.26 1 127 THR 6.17 -0.28 1 128 LEU -2.72 0.58 1 130 ARG -2.68 0.77 1 131 VAL 1.66 -0.47 1 132 LYS 1.12 0.11 1 133 PHE -2.12 0.12 1 134 VAL 0.83 -0.22 1 135 LYS 0.70 0.06 1 136 ASP -2.59 0.25 1 137 LYS 4.48 -0.53 1 138 LEU 3.79 -0.14 1 140 LEU 4.02 -0.31 1 141 ALA 4.13 -0.36 1 142 MET 3.68 -0.26 1 143 LYS 3.07 0.02 1 144 LEU 5.10 -0.44 1 145 LYS 4.01 -0.24 1 146 GLU 3.10 -0.22 1 147 LEU -1.37 -0.01 1 148 ALA 3.26 -0.19 1 149 ASN -2.53 0.25 1 150 GLU 0.99 -0.53 1 151 ASP -0.78 -0.11 1 152 PHE 1.64 0.04 1 154 SER -4.52 1.30 1 155 PHE -3.09 0.44 1 156 ILE -1.09 -0.07 1 157 VAL 2.96 -0.27 1 158 GLU -1.61 -0.02 1 159 ALA -4.88 0.80 1 160 ILE -3.17 0.51 1 161 GLU -4.73 0.94 1 162 LEU -3.51 0.47 1 163 LYS -4.45 0.71 1 164 LYS -5.59 1.05 1 165 SER -3.65 1.04 1 166 THR -1.21 0.24 1 167 LEU 0.96 0.04 1 168 THR -0.36 0.50 1 170 LYS -0.20 0.12 1 173 ILE -3.17 0.12 1 175 GLU -5.54 0.36 1 176 THR 3.79 -0.31 1 177 LEU 0.42 0.00 1 178 ALA -4.81 -0.04 1 179 ARG -3.40 0.24 1 180 PHE -1.89 0.23 1 181 GLU 0.11 0.13 1 182 LEU 0.54 0.47 1 183 SER 1.15 -0.01 1 184 GLU -1.33 0.04 1 185 HIS -0.01 0.00 1 186 HIS 0.28 0.00 1 187 HIS 0.08 -0.01 1 188 HIS 0.04 0.00 1 189 HIS 0.02 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr10004_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.35 _LACS_plot.Line_1_terminator_val_y_1 -3.09 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -0.89 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 2.09 _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 189 HIS 0.02 4.68 0 11 GLU 3.81 1.43 1 12 SER 4.82 3.31 1 13 VAL 4.83 1.22 1 14 ARG 6.18 1.69 1 15 ASP 4.22 2.34 1 16 ALA 2.15 2.79 1 17 LEU 3.86 2.04 1 18 VAL 5.19 2.37 1 19 ARG 5.19 3.64 1 20 ALA 3.77 1.65 1 21 GLN 5.14 2.27 1 22 ASP 3.74 1.32 1 23 TYR 3.11 1.91 1 24 ILE 5.32 1.27 1 26 SER -2.77 0.83 1 27 LYS 3.47 1.33 1 28 GLU 3.21 -0.14 1 29 ALA -3.88 -4.60 1 30 LYS -0.21 -2.11 1 31 ILE -4.43 -2.28 1 32 LYS -0.81 -0.44 1 33 PHE 2.84 0.26 1 34 VAL 0.52 -0.34 1 35 GLU 0.87 0.76 1 36 ARG 3.40 1.22 1 37 GLU 3.05 -0.36 1 38 ASN -1.50 1.31 1 39 PHE -0.04 0.24 1 40 HIS -0.77 -2.37 1 41 ILE -2.41 0.13 1 42 THR 3.91 -0.38 1 43 LEU 0.64 -1.99 1 44 LYS -2.86 -2.25 1 45 PHE 0.92 -0.77 1 46 LEU 0.64 -1.34 1 48 GLU -0.19 0.26 1 49 ILE -6.27 -0.75 1 50 THR -4.11 1.44 1 51 GLU 4.80 2.11 1 52 GLU 4.77 3.26 1 53 GLN 3.07 2.77 1 54 ALA 5.38 1.21 1 55 GLU 2.63 2.70 1 56 GLU 3.34 2.91 1 57 ILE 5.32 1.33 1 58 LYS 5.37 0.87 1 59 LYS 3.93 2.85 1 60 ILE 3.31 1.66 1 61 LEU 4.42 -0.04 1 62 GLU 3.33 1.35 1 63 LYS 3.04 2.54 1 64 ILE 4.34 1.18 1 65 ALA 3.40 -0.07 1 66 LYS 1.23 1.56 1 67 LYS 1.13 -0.94 1 68 TYR -3.80 -2.38 1 69 LYS -3.47 0.45 1 70 LYS 0.95 -1.07 1 71 HIS -1.62 -2.41 1 72 GLU -2.14 -0.85 1 73 VAL -3.70 -2.69 1 74 ASN -3.57 -1.75 1 75 VAL 1.80 -2.06 1 76 ARG -3.27 -1.15 1 78 ILE -5.16 -1.05 1 80 VAL -7.68 -0.94 1 81 PHE -5.90 0.99 1 83 ASN 2.13 -1.07 1 85 ASN 0.74 -0.37 1 86 TYR -0.67 -3.56 1 87 VAL 2.62 -0.76 1 88 ARG -1.71 0.27 1 89 VAL -4.49 -2.15 1 90 ILE -3.44 -1.75 1 91 TRP -8.35 -3.09 1 92 ALA -5.58 0.79 1 94 VAL -2.49 -1.04 1 95 GLU -2.60 -0.54 1 96 ASN 2.65 0.44 1 97 ASP 0.41 0.41 1 98 GLU 5.18 1.89 1 99 ILE 5.81 1.28 1 101 LYS 4.93 2.70 1 102 LYS 4.47 2.55 1 103 ILE 5.76 0.95 1 104 ALA 5.04 1.65 1 105 LYS 3.74 1.19 1 106 GLU 5.01 2.66 1 107 ILE 6.12 0.78 1 108 ASP 2.94 3.11 1 109 ASP 4.19 3.26 1 110 GLU 2.43 3.60 1 111 LEU 6.17 2.63 1 112 ALA 3.43 4.05 1 113 LYS 3.44 0.77 1 114 LEU -1.02 -0.74 1 116 PHE 1.84 0.64 1 117 LYS 0.65 0.34 1 118 LYS 0.68 0.45 1 119 GLU -1.08 0.73 1 121 ASN -0.27 -1.38 1 122 PHE 0.77 -1.36 1 123 VAL -3.44 -2.02 1 124 ALA 0.04 -3.17 1 125 HIS -4.43 -1.41 1 126 ILE -3.43 -0.58 1 127 THR 6.17 -1.33 1 128 LEU -2.72 1.66 1 130 ARG -2.68 -1.68 1 131 VAL 1.66 -1.15 1 132 LYS 1.12 0.02 1 133 PHE -2.12 -2.67 1 134 VAL 0.83 -2.28 1 135 LYS 0.70 -0.37 1 136 ASP -2.59 -1.27 1 137 LYS 4.48 2.38 1 138 LEU 3.79 1.96 1 140 LEU 4.02 0.07 1 141 ALA 4.13 3.07 1 142 MET 3.68 2.65 1 143 LYS 3.07 2.09 1 144 LEU 5.10 2.63 1 145 LYS 4.01 3.06 1 146 GLU 3.10 1.89 1 147 LEU -1.37 0.10 1 148 ALA 3.26 -0.17 1 149 ASN -2.53 -0.27 1 150 GLU 0.99 -2.89 1 151 ASP -0.78 -0.56 1 152 PHE 1.64 -1.47 1 154 SER -4.52 -0.89 1 155 PHE -3.09 -4.01 1 156 ILE -1.09 -0.46 1 157 VAL 2.96 -1.98 1 158 GLU -1.61 0.13 1 159 ALA -4.88 -1.70 1 160 ILE -3.17 -1.54 1 161 GLU -4.73 -1.85 1 162 LEU -3.51 -3.14 1 163 LYS -4.45 -2.98 1 164 LYS -5.59 -1.18 1 165 SER -3.65 -0.21 1 166 THR -1.21 -1.73 1 167 LEU 0.96 -1.63 1 168 THR -0.36 1.42 1 170 LYS -0.20 -0.78 1 173 ILE -3.17 -0.76 1 174 TYR -4.93 -0.02 1 175 GLU -5.54 -0.81 1 176 THR 3.79 -0.78 1 177 LEU 0.42 -0.47 1 178 ALA -4.81 -4.34 1 179 ARG -3.40 -2.94 1 180 PHE -1.89 -1.38 1 181 GLU 0.11 0.27 1 182 LEU 0.54 -0.64 1 183 SER 1.15 -0.76 1 184 GLU -1.33 -0.45 1 185 HIS -0.01 0.04 1 186 HIS 0.28 0.12 1 187 HIS 0.08 -0.05 1 188 HIS 0.04 -0.62 1 stop_ save_