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 -7.39 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.49 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 4.72 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 LYS -6.76 -0.64 0 97 SER 5.18 5.55 0 127 HIS 5.25 5.68 0 17 HIS 5.10 5.78 0 10 SER 0.86 0.54 1 11 ASN 0.51 0.56 1 12 SER 0.14 -0.07 1 13 ASN -0.03 0.05 1 15 ASP 1.12 0.49 1 16 THR 5.31 4.11 1 18 SER 4.80 3.30 1 19 LEU 2.95 2.40 1 20 ALA 1.29 2.48 1 21 ARG 4.23 3.14 1 22 PHE 4.34 2.76 1 23 ALA 3.43 2.54 1 24 VAL 6.01 4.44 1 25 ASP 4.04 3.21 1 26 GLN 4.31 2.44 1 27 HIS 5.86 5.16 1 28 ASN 4.35 2.32 1 29 THR 3.54 3.78 1 30 LYS 2.68 2.41 1 31 GLU -0.77 -2.09 1 32 ASN 3.47 1.41 1 34 LEU -2.01 -1.79 1 35 LEU 0.22 0.73 1 36 GLU -5.08 -2.53 1 37 LEU 1.15 1.17 1 38 VAL 2.69 2.30 1 39 ARG -1.73 -0.84 1 40 VAL 2.29 0.81 1 41 VAL 2.92 2.59 1 42 GLU -5.05 -1.04 1 43 ALA -4.33 -0.74 1 44 ARG -4.07 -1.17 1 45 GLU -4.59 -1.65 1 46 GLN -4.75 -1.67 1 47 VAL 3.39 1.80 1 48 VAL -2.23 -1.10 1 49 ALA 2.26 0.02 1 51 THR -1.50 -0.03 1 52 LEU -3.97 -2.17 1 53 HIS -2.74 0.83 1 54 HIS -4.12 -0.73 1 55 LEU -5.16 -1.67 1 56 VAL 1.04 0.30 1 57 LEU -3.97 -1.85 1 58 GLU -3.64 -1.39 1 59 VAL -6.36 -4.00 1 60 LEU -4.06 -1.38 1 61 ASP -3.96 -2.06 1 62 ALA 2.66 0.25 1 64 LYS -2.74 -1.87 1 65 LYS 0.48 0.39 1 67 LEU -3.62 -1.91 1 68 TYR -6.77 -1.93 1 69 GLU -5.55 -2.88 1 70 ALA -7.39 -3.06 1 71 LYS -4.14 -1.48 1 72 ILE -4.60 -0.73 1 73 TRP -5.46 -3.50 1 74 VAL -3.81 -2.01 1 75 LYS -1.27 0.46 1 77 TRP 3.26 1.16 1 78 MET -1.21 -1.37 1 79 ASP 2.20 0.52 1 80 PHE -2.34 -0.58 1 81 LYS -3.46 -1.35 1 82 GLN -5.44 -0.95 1 83 LEU 0.82 -0.90 1 84 GLN -0.00 1.12 1 85 GLU -5.04 -0.70 1 86 PHE -0.49 0.91 1 87 LYS -4.85 -1.46 1 88 HIS -0.19 2.18 1 89 VAL 1.11 1.30 1 90 ARG -0.58 0.14 1 91 ASP 1.13 0.13 1 92 VAL 5.24 4.70 1 94 SER 0.01 -0.36 1 95 PHE 1.65 -0.01 1 96 THR -0.50 -0.37 1 98 SER 0.19 0.14 1 99 ASP 0.25 0.21 1 100 LEU 0.80 0.34 1 102 ALA -0.46 -0.25 1 103 LYS -0.10 -0.26 1 104 THR -0.19 -0.18 1 105 ASP 0.25 0.21 1 106 ASP 0.25 0.21 1 107 GLN 0.50 0.20 1 108 VAL 0.13 -0.02 1 109 SER -0.18 -0.11 1 111 TRP -1.03 -0.63 1 112 ARG -2.54 -1.06 1 114 VAL -3.45 -2.11 1 116 VAL 3.95 1.98 1 117 HIS -0.29 0.25 1 118 ASP -1.36 0.94 1 120 VAL 5.45 3.55 1 121 VAL 5.58 3.80 1 122 GLN 4.95 3.36 1 123 ASP 3.90 2.99 1 124 ALA 3.91 2.25 1 125 ALA 2.41 2.62 1 126 HIS 5.25 4.93 1 128 ALA 3.98 2.94 1 129 ILE 4.63 1.52 1 130 LYS 3.90 2.73 1 131 THR 6.56 4.88 1 132 ILE 5.45 4.65 1 133 GLN 4.23 3.36 1 134 GLU 3.05 2.33 1 135 ARG 1.41 0.94 1 136 SER 0.24 0.22 1 137 ASN 1.35 0.15 1 138 SER -0.62 0.14 1 139 LEU 1.55 0.84 1 140 PHE -2.00 -1.41 1 142 TYR -2.35 -0.21 1 143 GLU -4.85 -2.13 1 144 LEU 1.05 0.59 1 145 SER 2.75 0.88 1 146 GLU -4.14 -0.42 1 147 VAL 2.20 -0.02 1 148 VAL 3.84 3.13 1 149 HIS -3.75 -0.06 1 150 ALA -4.46 -0.50 1 151 ASN -5.95 -1.66 1 152 ALA -7.15 -1.69 1 153 GLU -2.69 -1.41 1 154 VAL -0.56 -0.77 1 155 VAL -2.31 -1.77 1 156 ASP 4.15 2.49 1 157 THR 0.52 -0.18 1 158 SER -1.69 -0.68 1 159 ALA -4.46 -1.56 1 160 LYS -4.85 -1.51 1 161 PHE -2.98 -0.64 1 162 ASP -3.85 -1.51 1 163 MET -6.93 -1.46 1 164 LEU -3.20 -1.91 1 165 LEU -4.20 -2.41 1 166 LYS -1.35 -0.26 1 167 VAL -5.81 -3.02 1 168 LYS -3.35 -1.51 1 169 ARG -5.49 -1.19 1 172 LYS -2.85 -1.76 1 173 GLU -2.69 -0.91 1 174 GLU -7.38 -2.02 1 175 LYS -3.29 -1.45 1 176 TYR -5.10 -1.21 1 177 LYS -1.73 -1.39 1 178 VAL -6.80 -4.26 1 179 GLU -5.20 -1.91 1 180 VAL -4.93 -1.89 1 181 HIS -7.19 -1.50 1 182 LYS -3.52 -0.72 1 183 SER -1.24 -1.11 1 184 THR 2.19 1.45 1 185 GLU 1.31 1.09 1 186 GLU -0.19 0.09 1 189 PHE -2.10 -0.26 1 190 ASN -3.45 -0.66 1 191 LEU -0.12 0.18 1 192 LYS -0.60 -0.76 1 193 LYS -4.10 -0.26 1 194 VAL -2.49 -1.52 1 195 ASP -5.04 -1.14 1 196 LEU 0.05 0.09 1 197 ASP -2.85 -0.76 1 198 HIS -0.25 0.37 1 199 SER 2.00 2.38 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 -7.39 _LACS_plot.Line_1_terminator_val_y_1 4.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.51 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 LYS -6.76 6.12 0 97 SER 5.18 0.37 0 127 HIS 5.25 0.43 0 17 HIS 5.10 0.68 0 10 SER 0.86 -0.32 1 11 ASN 0.51 0.05 1 12 SER 0.14 -0.21 1 13 ASN -0.03 0.08 1 15 ASP 1.12 -0.63 1 16 THR 5.31 -1.20 1 18 SER 4.80 -1.50 1 19 LEU 2.95 -0.55 1 20 ALA 1.29 1.19 1 21 ARG 4.23 -1.09 1 22 PHE 4.34 -1.58 1 23 ALA 3.43 -0.89 1 24 VAL 6.01 -1.57 1 25 ASP 4.04 -0.83 1 26 GLN 4.31 -1.87 1 27 HIS 5.86 -0.70 1 28 ASN 4.35 -2.03 1 29 THR 3.54 0.24 1 30 LYS 2.68 -0.27 1 31 GLU -0.77 -1.32 1 32 ASN 3.47 -2.06 1 34 LEU -2.01 0.22 1 35 LEU 0.22 0.51 1 36 GLU -5.08 2.55 1 37 LEU 1.15 0.02 1 38 VAL 2.69 -0.39 1 39 ARG -1.73 0.89 1 40 VAL 2.29 -1.48 1 41 VAL 2.92 -0.33 1 42 GLU -5.05 4.01 1 43 ALA -4.33 3.59 1 44 ARG -4.07 2.90 1 45 GLU -4.59 2.94 1 46 GLN -4.75 3.08 1 47 VAL 3.39 -1.59 1 48 VAL -2.23 1.13 1 49 ALA 2.26 -2.24 1 51 THR -1.50 1.47 1 52 LEU -3.97 1.80 1 53 HIS -2.74 3.57 1 54 HIS -4.12 3.39 1 55 LEU -5.16 3.49 1 56 VAL 1.04 -0.74 1 57 LEU -3.97 2.12 1 58 GLU -3.64 2.25 1 59 VAL -6.36 2.36 1 60 LEU -4.06 2.68 1 61 ASP -3.96 1.90 1 62 ALA 2.66 -2.41 1 64 LYS -2.74 0.87 1 65 LYS 0.48 -0.09 1 67 LEU -3.62 1.71 1 68 TYR -6.77 4.84 1 69 GLU -5.55 2.67 1 70 ALA -7.39 4.33 1 71 LYS -4.14 2.66 1 72 ILE -4.60 3.87 1 73 TRP -5.46 1.96 1 74 VAL -3.81 1.80 1 75 LYS -1.27 1.73 1 77 TRP 3.26 -2.10 1 78 MET -1.21 -0.16 1 79 ASP 2.20 -1.68 1 80 PHE -2.34 1.76 1 81 LYS -3.46 2.11 1 82 GLN -5.44 4.49 1 83 LEU 0.82 -1.72 1 84 GLN -0.00 1.12 1 85 GLU -5.04 4.34 1 86 PHE -0.49 1.40 1 87 LYS -4.85 3.39 1 88 HIS -0.19 2.37 1 89 VAL 1.11 0.19 1 90 ARG -0.58 0.72 1 91 ASP 1.13 -1.00 1 92 VAL 5.24 -0.54 1 94 SER 0.01 -0.37 1 95 PHE 1.65 -1.66 1 96 THR -0.50 0.13 1 98 SER 0.19 -0.05 1 99 ASP 0.25 -0.04 1 100 LEU 0.80 -0.46 1 102 ALA -0.46 0.21 1 103 LYS -0.10 -0.16 1 104 THR -0.19 0.01 1 105 ASP 0.25 -0.04 1 106 ASP 0.25 -0.04 1 107 GLN 0.50 -0.30 1 108 VAL 0.13 -0.15 1 109 SER -0.18 0.07 1 111 TRP -1.03 0.40 1 112 ARG -2.54 1.48 1 114 VAL -3.45 1.34 1 116 VAL 3.95 -1.97 1 117 HIS -0.29 0.54 1 118 ASP -1.36 2.30 1 120 VAL 5.45 -1.90 1 121 VAL 5.58 -1.78 1 122 GLN 4.95 -1.59 1 123 ASP 3.90 -0.91 1 124 ALA 3.91 -1.66 1 125 ALA 2.41 0.21 1 126 HIS 5.25 -0.32 1 128 ALA 3.98 -1.04 1 129 ILE 4.63 -3.11 1 130 LYS 3.90 -1.17 1 131 THR 6.56 -1.68 1 132 ILE 5.45 -0.80 1 133 GLN 4.23 -0.87 1 134 GLU 3.05 -0.72 1 135 ARG 1.41 -0.47 1 136 SER 0.24 -0.02 1 137 ASN 1.35 -1.20 1 138 SER -0.62 0.76 1 139 LEU 1.55 -0.71 1 140 PHE -2.00 0.59 1 142 TYR -2.35 2.14 1 143 GLU -4.85 2.72 1 144 LEU 1.05 -0.46 1 145 SER 2.75 -1.87 1 146 GLU -4.14 3.72 1 147 VAL 2.20 -2.22 1 148 VAL 3.84 -0.71 1 149 HIS -3.75 3.69 1 150 ALA -4.46 3.96 1 151 ASN -5.95 4.29 1 152 ALA -7.15 5.46 1 153 GLU -2.69 1.28 1 154 VAL -0.56 -0.21 1 155 VAL -2.31 0.54 1 156 ASP 4.15 -1.66 1 157 THR 0.52 -0.70 1 158 SER -1.69 1.01 1 159 ALA -4.46 2.90 1 160 LYS -4.85 3.34 1 161 PHE -2.98 2.34 1 162 ASP -3.85 2.34 1 163 MET -6.93 5.47 1 164 LEU -3.20 1.29 1 165 LEU -4.20 1.79 1 166 LYS -1.35 1.09 1 167 VAL -5.81 2.79 1 168 LYS -3.35 1.84 1 169 ARG -5.49 4.30 1 172 LYS -2.85 1.09 1 173 GLU -2.69 1.78 1 174 GLU -7.38 5.36 1 175 LYS -3.29 1.84 1 176 TYR -5.10 3.89 1 177 LYS -1.73 0.34 1 178 VAL -6.80 2.54 1 179 GLU -5.20 3.29 1 180 VAL -4.93 3.04 1 181 HIS -7.19 5.69 1 182 LYS -3.52 2.80 1 183 SER -1.24 0.13 1 184 THR 2.19 -0.74 1 185 GLU 1.31 -0.22 1 186 GLU -0.19 0.28 1 189 PHE -2.10 1.84 1 190 ASN -3.45 2.79 1 191 LEU -0.12 0.30 1 192 LYS -0.60 -0.16 1 193 LYS -4.10 3.84 1 194 VAL -2.49 0.97 1 195 ASP -5.04 3.90 1 196 LEU 0.05 0.04 1 197 ASP -2.85 2.09 1 198 HIS -0.25 0.62 1 199 SER 2.00 0.38 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 -7.39 _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 -0.17 _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 6.56 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 HIS -0.19 -1.55 0 10 SER 0.86 -0.05 1 11 ASN 0.51 0.00 1 12 SER 0.14 -0.02 1 13 ASN -0.03 -0.07 1 15 ASP 1.12 0.23 1 16 THR 5.31 -0.58 1 17 HIS 5.10 -0.68 1 18 SER 4.80 -0.31 1 19 LEU 2.95 -0.32 1 20 ALA 1.29 -0.51 1 21 ARG 4.23 -0.58 1 22 PHE 4.34 -0.24 1 23 ALA 3.43 -0.76 1 24 VAL 6.01 -1.13 1 25 ASP 4.04 -0.31 1 26 GLN 4.31 -0.63 1 27 HIS 5.86 -0.93 1 28 ASN 4.35 -0.76 1 29 THR 3.54 -0.33 1 30 LYS 2.68 -0.24 1 31 GLU -0.77 0.10 1 32 ASN 3.47 -0.29 1 34 LEU -2.01 0.19 1 35 LEU 0.22 0.35 1 36 GLU -5.08 0.32 1 37 LEU 1.15 -0.18 1 38 VAL 2.69 0.09 1 39 ARG -1.73 0.44 1 40 VAL 2.29 0.02 1 41 VAL 2.92 -0.23 1 42 GLU -5.05 0.27 1 43 ALA -4.33 1.01 1 44 ARG -4.07 0.52 1 45 GLU -4.59 0.82 1 46 GLN -4.75 0.36 1 47 VAL 3.39 0.20 1 48 VAL -2.23 0.39 1 49 ALA 2.26 0.44 1 51 THR -1.50 0.69 1 52 LEU -3.97 0.92 1 53 HIS -2.74 0.21 1 54 HIS -4.12 0.76 1 55 LEU -5.16 1.06 1 56 VAL 1.04 0.60 1 57 LEU -3.97 0.66 1 58 GLU -3.64 1.00 1 59 VAL -6.36 1.24 1 60 LEU -4.06 0.56 1 61 ASP -3.96 0.20 1 62 ALA 2.66 -0.30 1 64 LYS -2.74 0.33 1 65 LYS 0.48 0.83 1 66 LYS -6.76 0.71 1 67 LEU -3.62 1.40 1 68 TYR -6.77 0.44 1 69 GLU -5.55 1.04 1 70 ALA -7.39 1.19 1 71 LYS -4.14 1.43 1 72 ILE -4.60 0.92 1 73 TRP -5.46 1.14 1 74 VAL -3.81 0.75 1 77 TRP 3.26 -0.02 1 78 MET -1.21 0.30 1 79 ASP 2.20 -0.38 1 80 PHE -2.34 0.02 1 82 GLN -5.44 0.27 1 83 LEU 0.82 0.34 1 84 GLN -0.00 0.23 1 85 GLU -5.04 0.28 1 86 PHE -0.49 0.67 1 87 LYS -4.85 0.60 1 89 VAL 1.11 -0.19 1 90 ARG -0.58 -0.18 1 91 ASP 1.13 0.38 1 92 VAL 5.24 -0.53 1 94 SER 0.01 -0.07 1 95 PHE 1.65 0.14 1 96 THR -0.50 0.05 1 97 SER 5.18 -0.64 1 98 SER 0.19 0.01 1 99 ASP 0.25 -0.06 1 100 LEU 0.80 -0.05 1 102 ALA -0.46 0.01 1 103 LYS -0.10 0.11 1 104 THR -0.19 0.02 1 105 ASP 0.25 -0.06 1 106 ASP 0.25 -0.06 1 107 GLN 0.50 -0.02 1 108 VAL 0.13 0.02 1 109 SER -0.18 0.02 1 111 TRP -1.03 -0.08 1 112 ARG -2.54 0.41 1 114 VAL -3.45 0.45 1 116 VAL 3.95 -0.31 1 117 HIS -0.29 -0.15 1 118 ASP -1.36 -0.34 1 120 VAL 5.45 -0.20 1 121 VAL 5.58 -1.25 1 122 GLN 4.95 -0.76 1 123 ASP 3.90 -0.21 1 124 ALA 3.91 -1.60 1 125 ALA 2.41 -0.60 1 126 HIS 5.25 -0.59 1 127 HIS 5.25 -0.68 1 128 ALA 3.98 -0.49 1 129 ILE 4.63 -0.69 1 130 LYS 3.90 -0.34 1 131 THR 6.56 -0.47 1 132 ILE 5.45 -0.90 1 133 GLN 4.23 -0.61 1 134 GLU 3.05 -0.25 1 135 ARG 1.41 -0.04 1 136 SER 0.24 -0.01 1 137 ASN 1.35 -0.07 1 138 SER -0.62 0.03 1 139 LEU 1.55 -0.23 1 140 PHE -2.00 0.04 1 142 TYR -2.35 0.12 1 144 LEU 1.05 -0.09 1 145 SER 2.75 0.26 1 146 GLU -4.14 0.15 1 147 VAL 2.20 0.04 1 148 VAL 3.84 -0.45 1 149 HIS -3.75 -0.15 1 150 ALA -4.46 0.90 1 151 ASN -5.95 1.05 1 152 ALA -7.15 1.57 1 153 GLU -2.69 -0.14 1 154 VAL -0.56 0.34 1 155 VAL -2.31 0.11 1 156 ASP 4.15 -0.46 1 157 THR 0.52 0.02 1 158 SER -1.69 0.43 1 159 ALA -4.46 0.53 1 160 LYS -4.85 0.51 1 161 PHE -2.98 1.01 1 162 ASP -3.85 0.90 1 163 MET -6.93 0.85 1 164 LEU -3.20 0.84 1 165 LEU -4.20 0.72 1 166 LYS -1.35 0.79 1 167 VAL -5.81 0.90 1 168 LYS -3.35 0.83 1 169 ARG -5.49 0.81 1 172 LYS -2.85 0.25 1 173 GLU -2.69 0.76 1 174 GLU -7.38 0.23 1 175 LYS -3.29 1.25 1 176 TYR -5.10 0.47 1 177 LYS -1.73 0.89 1 178 VAL -6.80 1.33 1 179 GLU -5.20 1.65 1 180 VAL -4.93 0.96 1 181 HIS -7.19 1.28 1 182 LYS -3.52 0.43 1 183 SER -1.24 0.44 1 184 THR 2.19 -0.17 1 185 GLU 1.31 -0.17 1 186 GLU -0.19 -0.06 1 189 PHE -2.10 0.54 1 190 ASN -3.45 0.33 1 191 LEU -0.12 0.23 1 192 LYS -0.60 0.09 1 193 LYS -4.10 0.34 1 194 VAL -2.49 0.78 1 195 ASP -5.04 0.46 1 196 LEU 0.05 -0.21 1 197 ASP -2.85 -0.06 1 198 HIS -0.25 0.05 1 199 SER 2.00 -0.30 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 -7.39 _LACS_plot.Line_1_terminator_val_y_1 -2.62 _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 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.56 _LACS_plot.Line_2_terminator_val_y_2 1.83 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 181 HIS -7.19 0.67 0 199 SER 2.00 4.47 0 10 SER 0.86 0.14 1 11 ASN 0.51 -0.03 1 12 SER 0.14 -0.85 1 15 ASP 1.12 1.26 1 16 THR 5.31 1.35 1 17 HIS 5.10 3.31 1 18 SER 4.80 3.44 1 19 LEU 2.95 0.19 1 20 ALA 1.29 0.69 1 21 ARG 4.23 1.61 1 22 PHE 4.34 0.44 1 23 ALA 3.43 -0.21 1 24 VAL 6.01 0.52 1 25 ASP 4.04 3.35 1 26 GLN 4.31 2.43 1 27 HIS 5.86 2.77 1 28 ASN 4.35 3.87 1 29 THR 3.54 -1.23 1 30 LYS 2.68 1.35 1 31 GLU -0.77 -0.29 1 32 ASN 3.47 0.06 1 34 LEU -2.01 -0.09 1 35 LEU 0.22 0.28 1 36 GLU -5.08 -0.67 1 37 LEU 1.15 -1.82 1 38 VAL 2.69 -0.18 1 39 ARG -1.73 -2.73 1 40 VAL 2.29 -0.84 1 41 VAL 2.92 -0.42 1 42 GLU -5.05 -3.26 1 43 ALA -4.33 -2.19 1 44 ARG -4.07 -1.40 1 45 GLU -4.59 -1.49 1 46 GLN -4.75 -1.87 1 47 VAL 3.39 -0.04 1 48 VAL -2.23 -1.71 1 49 ALA 2.26 -0.70 1 52 LEU -3.97 -2.20 1 53 HIS -2.74 0.31 1 54 HIS -4.12 0.37 1 55 LEU -5.16 -1.72 1 56 VAL 1.04 -1.18 1 57 LEU -3.97 -3.26 1 58 GLU -3.64 -0.76 1 59 VAL -6.36 -2.73 1 60 LEU -4.06 -1.44 1 61 ASP -3.96 -0.47 1 62 ALA 2.66 -0.02 1 64 LYS -2.74 -0.94 1 65 LYS 0.48 0.24 1 66 LYS -6.76 -2.84 1 67 LEU -3.62 -1.56 1 68 TYR -6.77 -1.90 1 69 GLU -5.55 -2.23 1 70 ALA -7.39 -2.03 1 71 LYS -4.14 -0.67 1 72 ILE -4.60 -2.86 1 73 TRP -5.46 -1.52 1 74 VAL -3.81 -1.45 1 75 LYS -1.27 0.22 1 77 TRP 3.26 -1.10 1 78 MET -1.21 -2.14 1 79 ASP 2.20 -2.39 1 80 PHE -2.34 -1.24 1 81 LYS -3.46 -2.71 1 82 GLN -5.44 -0.98 1 83 LEU 0.82 -2.48 1 84 GLN -0.00 0.04 1 85 GLU -5.04 -2.66 1 86 PHE -0.49 -1.88 1 87 LYS -4.85 -2.57 1 88 HIS -0.19 0.47 1 89 VAL 1.11 -1.12 1 90 ARG -0.58 -2.49 1 91 ASP 1.13 -1.02 1 94 SER 0.01 -0.41 1 95 PHE 1.65 -0.11 1 96 THR -0.50 -0.44 1 98 SER 0.19 -0.39 1 99 ASP 0.25 0.07 1 100 LEU 0.80 0.41 1 102 ALA -0.46 -0.20 1 103 LYS -0.10 0.22 1 104 THR -0.19 -0.28 1 105 ASP 0.25 -0.36 1 106 ASP 0.25 -0.02 1 107 GLN 0.50 -0.04 1 108 VAL 0.13 -0.32 1 109 SER -0.18 -0.03 1 111 TRP -1.03 0.87 1 112 ARG -2.54 -1.34 1 114 VAL -3.45 -2.30 1 116 VAL 3.95 -0.89 1 117 HIS -0.29 1.31 1 118 ASP -1.36 0.16 1 120 VAL 5.45 1.26 1 121 VAL 5.58 1.64 1 122 GLN 4.95 2.56 1 123 ASP 3.90 2.60 1 124 ALA 3.91 1.33 1 125 ALA 2.41 1.38 1 126 HIS 5.25 4.23 1 127 HIS 5.25 4.40 1 128 ALA 3.98 0.41 1 129 ILE 4.63 0.28 1 130 LYS 3.90 2.22 1 131 THR 6.56 1.24 1 132 ILE 5.45 2.25 1 133 GLN 4.23 2.74 1 134 GLU 3.05 2.18 1 135 ARG 1.41 0.61 1 136 SER 0.24 0.27 1 137 ASN 1.35 -0.33 1 138 SER -0.62 2.99 1 139 LEU 1.55 -0.71 1 140 PHE -2.00 -0.48 1 142 TYR -2.35 -0.24 1 143 GLU -4.85 -1.13 1 144 LEU 1.05 -1.80 1 145 SER 2.75 -0.33 1 146 GLU -4.14 -2.27 1 147 VAL 2.20 -1.57 1 148 VAL 3.84 0.11 1 149 HIS -3.75 -1.42 1 150 ALA -4.46 -4.24 1 151 ASN -5.95 -1.06 1 152 ALA -7.15 -1.36 1 153 GLU -2.69 -2.08 1 154 VAL -0.56 -1.11 1 155 VAL -2.31 -1.18 1 156 ASP 4.15 0.03 1 157 THR 0.52 -0.44 1 158 SER -1.69 -2.59 1 159 ALA -4.46 -2.81 1 160 LYS -4.85 -2.25 1 161 PHE -2.98 -1.50 1 162 ASP -3.85 0.12 1 163 MET -6.93 -2.86 1 164 LEU -3.20 -3.09 1 165 LEU -4.20 -2.20 1 166 LYS -1.35 1.94 1 167 VAL -5.81 -2.38 1 168 LYS -3.35 -1.16 1 169 ARG -5.49 0.59 1 172 LYS -2.85 -1.63 1 173 GLU -2.69 -0.80 1 174 GLU -7.38 -2.34 1 175 LYS -3.29 -0.62 1 176 TYR -5.10 -1.29 1 177 LYS -1.73 0.14 1 178 VAL -6.80 -2.54 1 179 GLU -5.20 -0.62 1 180 VAL -4.93 -2.06 1 182 LYS -3.52 -1.19 1 183 SER -1.24 0.62 1 184 THR 2.19 0.96 1 185 GLU 1.31 0.54 1 186 GLU -0.19 0.51 1 189 PHE -2.10 -0.39 1 190 ASN -3.45 -0.68 1 191 LEU -0.12 -3.20 1 192 LYS -0.60 -0.10 1 193 LYS -4.10 -2.47 1 194 VAL -2.49 -3.37 1 196 LEU 0.05 -1.54 1 197 ASP -2.85 -0.94 1 198 HIS -0.25 0.41 1 stop_ save_