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 bmr19689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 4.70 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 HIS 4.50 5.80 0 10 SER 0.96 0.76 1 11 ASN 0.54 0.74 1 12 SER 0.23 0.20 1 13 ASN -0.00 0.10 1 15 ASP 1.12 0.49 1 16 THR 5.58 4.18 1 19 LEU 2.76 2.40 1 20 ALA 1.25 2.55 1 21 ARG 4.04 3.14 1 22 PHE 4.30 2.70 1 23 ALA 3.36 2.62 1 24 VAL 5.87 4.55 1 25 ASP 4.45 3.35 1 26 GLN 3.92 2.52 1 27 HIS 4.85 5.15 1 28 ASN 4.43 2.34 1 29 THR 4.72 3.86 1 30 LYS 2.88 2.58 1 31 GLU -0.92 -1.82 1 32 ASN 3.37 1.27 1 34 LEU -1.90 -1.80 1 35 LEU 0.50 0.80 1 36 GLU -5.21 -2.51 1 37 LEU 1.30 1.24 1 38 VAL 2.81 2.41 1 39 ARG -1.39 -0.50 1 40 VAL 2.60 1.20 1 41 VAL 2.40 2.20 1 42 GLU -4.48 -0.85 1 43 ALA -4.36 -0.66 1 44 ARG -4.35 -1.20 1 45 GLU -4.80 -1.70 1 46 GLN -4.75 -1.67 1 47 VAL 3.12 1.72 1 48 VAL -0.27 -1.09 1 49 ALA 2.24 0.10 1 51 THR -1.18 0.15 1 52 LEU -3.60 -2.05 1 53 HIS -2.50 0.90 1 54 HIS -4.32 -0.72 1 55 LEU -5.32 -1.94 1 56 VAL 0.84 0.24 1 57 LEU -3.82 -1.83 1 58 GLU -3.56 -1.31 1 59 VAL -5.93 -3.50 1 60 LEU -3.84 -1.50 1 61 ASP -3.81 -1.91 1 62 ALA 2.57 0.27 1 64 LYS -2.49 -1.62 1 65 LYS 0.77 0.38 1 67 LEU -3.51 -1.91 1 68 TYR -6.49 -1.80 1 69 GLU -5.87 -3.34 1 70 ALA -7.40 -2.98 1 71 LYS -4.00 -1.40 1 72 ILE -4.53 -0.75 1 73 TRP -5.78 -3.58 1 74 VAL -4.03 -1.93 1 75 LYS -1.27 0.46 1 77 TRP 3.77 1.65 1 78 MET -1.21 -1.37 1 79 ASP 2.36 0.70 1 81 LYS -3.50 -1.30 1 82 GLN -5.51 -1.20 1 83 LEU 0.82 -0.90 1 84 GLN -0.00 1.10 1 85 GLU -4.84 -0.60 1 86 PHE -0.76 1.03 1 87 LYS -4.60 -1.40 1 88 HIS -0.33 1.77 1 89 VAL 0.30 0.40 1 92 VAL 2.60 2.50 1 94 SER -0.10 -0.10 1 95 PHE -0.40 -0.30 1 96 THR -0.53 -0.35 1 97 SER 0.03 0.21 1 98 SER 0.47 0.30 1 99 ASP 0.04 0.19 1 100 LEU 0.91 0.51 1 102 ALA -0.42 -0.25 1 103 LYS 0.29 -0.13 1 104 THR -0.07 -0.12 1 105 ASP 0.25 0.25 1 106 ASP 0.30 0.30 1 107 GLN 0.59 0.15 1 108 VAL 0.43 0.03 1 109 SER -0.10 -0.10 1 111 TRP -1.05 -0.55 1 112 ARG -2.50 -1.10 1 114 VAL -3.40 -2.00 1 116 VAL 4.00 1.90 1 117 HIS -0.61 0.09 1 118 ASP -0.42 0.46 1 120 VAL 5.69 3.59 1 121 VAL 5.25 3.80 1 122 GLN 5.05 3.35 1 123 ASP 4.44 3.14 1 124 ALA 3.88 2.23 1 125 ALA 2.42 2.64 1 126 HIS 5.43 5.43 1 127 HIS 5.42 5.65 1 128 ALA 3.79 2.76 1 129 ILE 4.62 1.60 1 130 LYS 4.31 3.00 1 131 THR 6.65 5.03 1 132 ILE 5.38 4.66 1 133 GLN 4.20 3.44 1 134 GLU 2.50 2.30 1 135 ARG 1.76 1.32 1 136 SER -0.50 0.20 1 137 ASN 1.22 0.20 1 138 SER 0.07 0.51 1 139 LEU 1.80 0.90 1 140 PHE -2.13 -1.23 1 142 TYR -1.69 0.01 1 144 LEU 1.20 -0.40 1 145 SER 1.25 1.00 1 146 GLU -4.30 -0.40 1 147 VAL 2.23 0.13 1 148 VAL 4.05 3.25 1 149 HIS -3.31 0.59 1 150 ALA -4.40 -0.50 1 151 ASN -5.70 -1.60 1 152 ALA -7.08 -1.60 1 153 GLU -3.00 -1.50 1 154 VAL -0.60 -0.50 1 155 VAL -2.00 -1.50 1 156 ASP 4.35 2.75 1 157 THR 0.66 0.02 1 158 SER -1.61 -0.60 1 159 ALA -4.12 -1.55 1 160 LYS -4.69 -1.35 1 161 PHE -2.84 -0.57 1 162 ASP -4.10 -1.50 1 163 MET -6.20 -1.50 1 164 LEU -3.40 -1.80 1 165 LEU -3.74 -2.04 1 166 LYS -1.45 -0.25 1 167 VAL -5.71 -2.81 1 168 LYS -3.24 -1.40 1 169 ARG -2.30 -1.10 1 172 LYS -2.80 -1.60 1 173 GLU -2.64 -0.85 1 174 GLU -6.77 -2.00 1 175 LYS -3.61 -1.41 1 176 TYR -5.25 -1.22 1 177 LYS -1.45 -1.25 1 178 VAL -6.66 -4.05 1 179 GLU -4.84 -1.84 1 180 VAL -4.62 -1.85 1 181 HIS -7.31 -1.51 1 182 LYS -3.38 -0.58 1 183 SER -1.25 -0.88 1 184 THR 2.64 1.64 1 185 GLU 0.98 1.06 1 186 GLU -0.24 0.16 1 189 PHE -1.85 -0.33 1 190 ASN 0.23 0.13 1 191 LEU 0.24 0.34 1 192 LYS -0.70 -0.80 1 193 LYS -4.30 -0.40 1 194 VAL -2.71 -1.40 1 195 ASP -5.07 -1.12 1 196 LEU 0.26 0.36 1 197 ASP -3.00 -0.70 1 198 HIS -1.00 0.22 1 199 SER 1.73 2.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 4.84 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 -1.94 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 HIS 4.50 1.30 0 10 SER 0.96 -0.20 1 11 ASN 0.54 0.20 1 12 SER 0.23 -0.03 1 13 ASN -0.00 0.10 1 15 ASP 1.12 -0.63 1 16 THR 5.58 -1.40 1 19 LEU 2.76 -0.36 1 20 ALA 1.25 1.30 1 21 ARG 4.04 -0.90 1 22 PHE 4.30 -1.60 1 23 ALA 3.36 -0.74 1 24 VAL 5.87 -1.32 1 25 ASP 4.45 -1.10 1 26 GLN 3.92 -1.40 1 27 HIS 4.85 0.30 1 28 ASN 4.43 -2.09 1 29 THR 4.72 -0.86 1 30 LYS 2.88 -0.30 1 31 GLU -0.92 -0.90 1 32 ASN 3.37 -2.10 1 34 LEU -1.90 0.10 1 35 LEU 0.50 0.30 1 36 GLU -5.21 2.70 1 37 LEU 1.30 -0.06 1 38 VAL 2.81 -0.40 1 39 ARG -1.39 0.89 1 40 VAL 2.60 -1.40 1 41 VAL 2.40 -0.20 1 42 GLU -4.48 3.63 1 43 ALA -4.36 3.70 1 44 ARG -4.35 3.15 1 45 GLU -4.80 3.10 1 46 GLN -4.75 3.08 1 47 VAL 3.12 -1.40 1 48 VAL -0.27 -0.82 1 49 ALA 2.24 -2.14 1 51 THR -1.18 1.33 1 52 LEU -3.60 1.55 1 53 HIS -2.50 3.40 1 54 HIS -4.32 3.60 1 55 LEU -5.32 3.38 1 56 VAL 0.84 -0.60 1 57 LEU -3.82 1.99 1 58 GLU -3.56 2.25 1 59 VAL -5.93 2.43 1 60 LEU -3.84 2.34 1 61 ASP -3.81 1.90 1 62 ALA 2.57 -2.30 1 64 LYS -2.49 0.87 1 65 LYS 0.77 -0.39 1 67 LEU -3.51 1.60 1 68 TYR -6.49 4.69 1 69 GLU -5.87 2.53 1 70 ALA -7.40 4.42 1 71 LYS -4.00 2.60 1 72 ILE -4.53 3.78 1 73 TRP -5.78 2.20 1 74 VAL -4.03 2.10 1 75 LYS -1.27 1.73 1 77 TRP 3.77 -2.12 1 78 MET -1.21 -0.16 1 79 ASP 2.36 -1.66 1 81 LYS -3.50 2.20 1 82 GLN -5.51 4.31 1 83 LEU 0.82 -1.72 1 84 GLN -0.00 1.10 1 85 GLU -4.84 4.24 1 86 PHE -0.76 1.79 1 87 LYS -4.60 3.20 1 88 HIS -0.33 2.10 1 89 VAL 0.30 0.10 1 92 VAL 2.60 -0.10 1 94 SER -0.10 0.00 1 95 PHE -0.40 0.10 1 96 THR -0.53 0.18 1 97 SER 0.03 0.18 1 98 SER 0.47 -0.17 1 99 ASP 0.04 0.15 1 100 LEU 0.91 -0.40 1 102 ALA -0.42 0.17 1 103 LYS 0.29 -0.42 1 104 THR -0.07 -0.05 1 105 ASP 0.25 0.00 1 106 ASP 0.30 0.00 1 107 GLN 0.59 -0.44 1 108 VAL 0.43 -0.40 1 109 SER -0.10 0.00 1 111 TRP -1.05 0.50 1 112 ARG -2.50 1.40 1 114 VAL -3.40 1.40 1 116 VAL 4.00 -2.10 1 117 HIS -0.61 0.70 1 118 ASP -0.42 0.88 1 120 VAL 5.69 -2.10 1 121 VAL 5.25 -1.45 1 122 GLN 5.05 -1.70 1 123 ASP 4.44 -1.30 1 124 ALA 3.88 -1.65 1 125 ALA 2.42 0.22 1 126 HIS 5.43 0.00 1 127 HIS 5.42 0.23 1 128 ALA 3.79 -1.03 1 129 ILE 4.62 -3.02 1 130 LYS 4.31 -1.31 1 131 THR 6.65 -1.62 1 132 ILE 5.38 -0.72 1 133 GLN 4.20 -0.76 1 134 GLU 2.50 -0.20 1 135 ARG 1.76 -0.44 1 136 SER -0.50 0.70 1 137 ASN 1.22 -1.02 1 138 SER 0.07 0.44 1 139 LEU 1.80 -0.90 1 140 PHE -2.13 0.90 1 142 TYR -1.69 1.70 1 144 LEU 1.20 -1.60 1 145 SER 1.25 -0.25 1 146 GLU -4.30 3.90 1 147 VAL 2.23 -2.10 1 148 VAL 4.05 -0.80 1 149 HIS -3.31 3.90 1 150 ALA -4.40 3.90 1 151 ASN -5.70 4.10 1 152 ALA -7.08 5.48 1 153 GLU -3.00 1.50 1 154 VAL -0.60 0.10 1 155 VAL -2.00 0.50 1 156 ASP 4.35 -1.60 1 157 THR 0.66 -0.64 1 158 SER -1.61 1.01 1 159 ALA -4.12 2.57 1 160 LYS -4.69 3.34 1 161 PHE -2.84 2.27 1 162 ASP -4.10 2.60 1 163 MET -6.20 4.70 1 164 LEU -3.40 1.60 1 165 LEU -3.74 1.70 1 166 LYS -1.45 1.20 1 167 VAL -5.71 2.90 1 168 LYS -3.24 1.84 1 169 ARG -2.30 1.20 1 172 LYS -2.80 1.20 1 173 GLU -2.64 1.79 1 174 GLU -6.77 4.77 1 175 LYS -3.61 2.20 1 176 TYR -5.25 4.03 1 177 LYS -1.45 0.20 1 178 VAL -6.66 2.61 1 179 GLU -4.84 3.00 1 180 VAL -4.62 2.77 1 181 HIS -7.31 5.80 1 182 LYS -3.38 2.80 1 183 SER -1.25 0.37 1 184 THR 2.64 -1.00 1 185 GLU 0.98 0.08 1 186 GLU -0.24 0.40 1 189 PHE -1.85 1.52 1 190 ASN 0.23 -0.10 1 191 LEU 0.24 0.10 1 192 LYS -0.70 -0.10 1 193 LYS -4.30 3.90 1 194 VAL -2.71 1.31 1 195 ASP -5.07 3.95 1 196 LEU 0.26 0.10 1 197 ASP -3.00 2.30 1 198 HIS -1.00 1.22 1 199 SER 1.73 0.68 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 1.10 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _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 88 HIS -0.33 -1.60 0 10 SER 0.96 -0.08 1 11 ASN 0.54 -0.03 1 12 SER 0.23 -0.02 1 13 ASN -0.00 -0.08 1 15 ASP 1.12 -0.02 1 16 THR 5.58 -0.59 1 17 HIS 4.50 -0.70 1 19 LEU 2.76 -0.31 1 20 ALA 1.25 -0.52 1 21 ARG 4.04 -0.61 1 22 PHE 4.30 -0.25 1 23 ALA 3.36 -0.77 1 24 VAL 5.87 -1.15 1 25 ASP 4.45 -0.32 1 26 GLN 3.92 -0.65 1 27 HIS 4.85 -0.96 1 28 ASN 4.43 -0.79 1 29 THR 4.72 -0.35 1 30 LYS 2.88 -0.27 1 31 GLU -0.92 0.07 1 32 ASN 3.37 -0.32 1 34 LEU -1.90 0.16 1 35 LEU 0.50 0.29 1 36 GLU -5.21 0.32 1 37 LEU 1.30 -0.19 1 38 VAL 2.81 0.07 1 39 ARG -1.39 0.44 1 40 VAL 2.60 0.02 1 41 VAL 2.40 -0.24 1 42 GLU -4.48 0.27 1 43 ALA -4.36 1.00 1 44 ARG -4.35 0.51 1 45 GLU -4.80 0.82 1 46 GLN -4.75 0.36 1 47 VAL 3.12 0.19 1 48 VAL -0.27 0.29 1 49 ALA 2.24 0.42 1 51 THR -1.18 0.68 1 52 LEU -3.60 0.90 1 53 HIS -2.50 0.21 1 54 HIS -4.32 0.71 1 55 LEU -5.32 1.06 1 56 VAL 0.84 0.59 1 57 LEU -3.82 0.64 1 58 GLU -3.56 0.96 1 59 VAL -5.93 1.21 1 60 LEU -3.84 0.56 1 61 ASP -3.81 0.19 1 62 ALA 2.57 -0.32 1 64 LYS -2.49 0.28 1 65 LYS 0.77 0.81 1 67 LEU -3.51 1.36 1 68 TYR -6.49 0.43 1 69 GLU -5.87 1.04 1 70 ALA -7.40 1.17 1 71 LYS -4.00 1.41 1 72 ILE -4.53 0.92 1 73 TRP -5.78 1.13 1 74 VAL -4.03 0.64 1 75 LYS -1.27 0.22 1 77 TRP 3.77 -0.04 1 78 MET -1.21 0.17 1 79 ASP 2.36 -0.41 1 81 LYS -3.50 0.84 1 82 GLN -5.51 0.26 1 83 LEU 0.82 0.34 1 84 GLN -0.00 0.25 1 85 GLU -4.84 0.26 1 86 PHE -0.76 0.62 1 87 LYS -4.60 0.58 1 89 VAL 0.30 -0.20 1 92 VAL 2.60 -0.35 1 94 SER -0.10 -0.08 1 95 PHE -0.40 0.12 1 96 THR -0.53 0.04 1 97 SER 0.03 -0.05 1 98 SER 0.47 -0.02 1 99 ASP 0.04 -0.03 1 100 LEU 0.91 -0.07 1 102 ALA -0.42 -0.01 1 103 LYS 0.29 0.10 1 104 THR -0.07 0.02 1 105 ASP 0.25 -0.04 1 106 ASP 0.30 -0.08 1 107 GLN 0.59 -0.02 1 108 VAL 0.43 0.00 1 109 SER -0.10 0.00 1 111 TRP -1.05 -0.09 1 112 ARG -2.50 0.38 1 114 VAL -3.40 0.44 1 116 VAL 4.00 -0.34 1 117 HIS -0.61 -0.19 1 118 ASP -0.42 0.11 1 120 VAL 5.69 -0.21 1 121 VAL 5.25 -1.27 1 122 GLN 5.05 -0.78 1 123 ASP 4.44 -0.22 1 124 ALA 3.88 -1.64 1 125 ALA 2.42 -0.62 1 126 HIS 5.43 -0.59 1 127 HIS 5.42 -0.67 1 128 ALA 3.79 -0.52 1 129 ILE 4.62 -0.72 1 130 LYS 4.31 -0.35 1 131 THR 6.65 -0.50 1 132 ILE 5.38 -0.92 1 133 GLN 4.20 -0.61 1 134 GLU 2.50 -0.27 1 135 ARG 1.76 -0.08 1 136 SER -0.50 0.00 1 137 ASN 1.22 -0.11 1 138 SER 0.07 -0.12 1 139 LEU 1.80 -0.25 1 140 PHE -2.13 0.03 1 142 TYR -1.69 0.13 1 144 LEU 1.20 0.42 1 145 SER 1.25 0.24 1 146 GLU -4.30 0.13 1 147 VAL 2.23 0.02 1 148 VAL 4.05 -0.47 1 149 HIS -3.31 -0.16 1 150 ALA -4.40 0.89 1 151 ASN -5.70 1.03 1 152 ALA -7.08 1.56 1 153 GLU -3.00 -0.16 1 154 VAL -0.60 0.32 1 155 VAL -2.00 0.09 1 156 ASP 4.35 -0.47 1 157 THR 0.66 0.00 1 158 SER -1.61 0.42 1 159 ALA -4.12 0.50 1 160 LYS -4.69 0.48 1 161 PHE -2.84 1.00 1 162 ASP -4.10 0.87 1 163 MET -6.20 0.86 1 164 LEU -3.40 0.80 1 165 LEU -3.74 0.70 1 166 LYS -1.45 0.76 1 167 VAL -5.71 0.91 1 168 LYS -3.24 0.82 1 169 ARG -2.30 0.24 1 172 LYS -2.80 0.23 1 173 GLU -2.64 0.73 1 174 GLU -6.77 0.21 1 175 LYS -3.61 1.24 1 176 TYR -5.25 0.44 1 177 LYS -1.45 0.87 1 178 VAL -6.66 1.32 1 179 GLU -4.84 1.64 1 180 VAL -4.62 0.95 1 181 HIS -7.31 1.28 1 182 LYS -3.38 0.37 1 183 SER -1.25 0.43 1 184 THR 2.64 -0.21 1 185 GLU 0.98 -0.18 1 186 GLU -0.24 -0.08 1 189 PHE -1.85 0.54 1 190 ASN 0.23 -0.11 1 191 LEU 0.24 0.23 1 192 LYS -0.70 0.07 1 193 LYS -4.30 0.31 1 194 VAL -2.71 0.77 1 195 ASP -5.07 0.44 1 196 LEU 0.26 -0.24 1 197 ASP -3.00 -0.05 1 198 HIS -1.00 0.02 1 199 SER 1.73 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.40 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.34 _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 6.64 _LACS_plot.Line_2_terminator_val_y_2 1.87 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ASN -0.00 3.74 0 98 SER 0.47 3.90 0 181 HIS -7.31 0.69 0 10 SER 0.96 0.06 1 11 ASN 0.54 0.04 1 12 SER 0.23 -0.80 1 15 ASP 1.12 1.26 1 16 THR 5.58 1.35 1 17 HIS 4.50 3.31 1 19 LEU 2.76 0.21 1 20 ALA 1.25 0.71 1 21 ARG 4.04 1.65 1 22 PHE 4.30 0.41 1 23 ALA 3.36 -0.22 1 24 VAL 5.87 0.54 1 25 ASP 4.45 3.34 1 26 GLN 3.92 2.41 1 27 HIS 4.85 2.75 1 28 ASN 4.43 3.85 1 29 THR 4.72 1.31 1 30 LYS 2.88 1.39 1 31 GLU -0.92 -0.30 1 32 ASN 3.37 0.05 1 34 LEU -1.90 -0.09 1 35 LEU 0.50 0.30 1 36 GLU -5.21 -0.67 1 37 LEU 1.30 -1.82 1 38 VAL 2.81 -0.20 1 39 ARG -1.39 -2.71 1 40 VAL 2.60 -0.85 1 41 VAL 2.40 -0.46 1 42 GLU -4.48 -3.24 1 43 ALA -4.36 -2.14 1 44 ARG -4.35 -1.43 1 45 GLU -4.80 -1.49 1 46 GLN -4.75 -1.82 1 47 VAL 3.12 -0.03 1 48 VAL -0.27 -1.70 1 49 ALA 2.24 -0.68 1 51 THR -1.18 -2.42 1 52 LEU -3.60 -2.18 1 53 HIS -2.50 0.33 1 54 HIS -4.32 0.41 1 55 LEU -5.32 -1.63 1 56 VAL 0.84 -1.22 1 57 LEU -3.82 -3.26 1 58 GLU -3.56 -0.80 1 59 VAL -5.93 -2.77 1 60 LEU -3.84 -1.41 1 61 ASP -3.81 -0.47 1 62 ALA 2.57 -0.02 1 64 LYS -2.49 -1.05 1 65 LYS 0.77 0.10 1 67 LEU -3.51 -1.50 1 68 TYR -6.49 -1.81 1 69 GLU -5.87 -2.15 1 70 ALA -7.40 -2.11 1 71 LYS -4.00 -0.72 1 72 ILE -4.53 -2.85 1 73 TRP -5.78 -1.50 1 74 VAL -4.03 -1.46 1 75 LYS -1.27 0.22 1 77 TRP 3.77 -1.09 1 78 MET -1.21 -2.11 1 79 ASP 2.36 -2.39 1 81 LYS -3.50 -2.69 1 82 GLN -5.51 -0.84 1 83 LEU 0.82 -2.49 1 84 GLN -0.00 0.04 1 85 GLU -4.84 -2.58 1 86 PHE -0.76 -1.91 1 87 LYS -4.60 -2.55 1 88 HIS -0.33 0.62 1 89 VAL 0.30 -2.69 1 94 SER -0.10 1.19 1 95 PHE -0.40 0.64 1 96 THR -0.53 -0.42 1 97 SER 0.03 0.19 1 99 ASP 0.04 0.10 1 100 LEU 0.91 0.40 1 102 ALA -0.42 -0.22 1 103 LYS 0.29 0.24 1 104 THR -0.07 -0.27 1 105 ASP 0.25 -0.36 1 106 ASP 0.30 -0.01 1 107 GLN 0.59 -0.02 1 108 VAL 0.43 -0.29 1 109 SER -0.10 0.01 1 111 TRP -1.05 0.90 1 112 ARG -2.50 -1.34 1 114 VAL -3.40 -2.30 1 116 VAL 4.00 -0.78 1 117 HIS -0.61 1.25 1 118 ASP -0.42 0.16 1 120 VAL 5.69 1.30 1 121 VAL 5.25 1.66 1 122 GLN 5.05 2.64 1 123 ASP 4.44 2.67 1 124 ALA 3.88 1.34 1 125 ALA 2.42 1.43 1 126 HIS 5.43 4.12 1 127 HIS 5.42 0.17 1 128 ALA 3.79 0.41 1 129 ILE 4.62 0.30 1 130 LYS 4.31 2.21 1 131 THR 6.65 1.28 1 132 ILE 5.38 2.30 1 133 GLN 4.20 2.78 1 134 GLU 2.50 2.23 1 135 ARG 1.76 0.68 1 136 SER -0.50 0.56 1 137 ASN 1.22 -0.33 1 138 SER 0.07 2.99 1 139 LEU 1.80 -0.74 1 140 PHE -2.13 -0.48 1 142 TYR -1.69 -0.22 1 144 LEU 1.20 -1.80 1 145 SER 1.25 0.16 1 146 GLU -4.30 -2.26 1 147 VAL 2.23 -1.55 1 148 VAL 4.05 0.13 1 149 HIS -3.31 -1.45 1 150 ALA -4.40 -4.22 1 151 ASN -5.70 -1.04 1 152 ALA -7.08 -1.31 1 153 GLU -3.00 -2.09 1 154 VAL -0.60 -1.08 1 155 VAL -2.00 -1.13 1 156 ASP 4.35 0.05 1 157 THR 0.66 -0.41 1 158 SER -1.61 -2.56 1 159 ALA -4.12 -2.80 1 160 LYS -4.69 -2.23 1 161 PHE -2.84 -1.56 1 162 ASP -4.10 0.17 1 163 MET -6.20 -2.81 1 164 LEU -3.40 -3.10 1 165 LEU -3.74 -2.18 1 166 LYS -1.45 -1.29 1 167 VAL -5.71 -2.36 1 168 LYS -3.24 -1.10 1 169 ARG -2.30 0.64 1 172 LYS -2.80 -1.60 1 173 GLU -2.64 -2.17 1 174 GLU -6.77 -2.34 1 175 LYS -3.61 -1.87 1 176 TYR -5.25 -1.29 1 177 LYS -1.45 0.15 1 178 VAL -6.66 -2.52 1 179 GLU -4.84 -0.64 1 180 VAL -4.62 -2.04 1 182 LYS -3.38 -1.16 1 183 SER -1.25 0.67 1 184 THR 2.64 1.05 1 185 GLU 0.98 0.52 1 186 GLU -0.24 0.56 1 189 PHE -1.85 -0.39 1 190 ASN 0.23 -0.46 1 191 LEU 0.24 -3.18 1 192 LYS -0.70 -0.12 1 193 LYS -4.30 -2.45 1 194 VAL -2.71 -3.38 1 195 ASP -5.07 -1.51 1 196 LEU 0.26 -1.53 1 197 ASP -3.00 -0.87 1 198 HIS -1.00 0.33 1 stop_ save_