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 bmr4265_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 7.48 _LACS_plot.Line_2_terminator_val_y_2 5.86 _LACS_plot.Y_axis_chem_shift_offset -0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 TYR -3.56 -3.91 0 146 LEU -8.56 -1.63 0 48 LEU 1.69 -1.75 0 115 LEU 2.84 -1.11 0 10 ASP 2.80 3.25 1 11 ALA 1.52 2.73 1 12 ILE 5.67 5.32 1 13 ARG 4.95 4.21 1 14 ILE 4.65 4.81 1 15 PHE 3.99 3.54 1 16 GLU 3.23 3.98 1 17 GLU 2.11 2.37 1 18 ARG 2.88 3.69 1 19 LYS -0.73 -1.17 1 20 SER 2.91 0.87 1 21 VAL -7.02 -3.55 1 22 VAL 0.23 0.08 1 23 ALA 4.20 4.37 1 24 THR 3.86 3.59 1 25 GLU 1.28 -1.06 1 26 ALA -1.79 -0.06 1 27 GLU 1.28 2.57 1 28 LYS -2.38 -0.66 1 29 VAL -0.80 0.08 1 30 GLU -0.91 -0.21 1 31 LEU -0.79 -2.15 1 32 HIS -4.01 0.54 1 34 MET -0.96 -0.41 1 35 ILE -3.42 -1.08 1 38 ILE 0.25 1.70 1 39 GLU -3.38 -0.02 1 40 LYS -3.41 -0.66 1 41 MET -0.74 1.70 1 42 ASP -2.74 -0.21 1 43 ALA 1.66 1.83 1 44 THR 6.96 5.66 1 45 LEU 4.75 3.12 1 46 SER 2.91 3.46 1 47 THR 0.23 1.52 1 49 LYS 3.62 3.49 1 50 ALA -1.27 -0.06 1 52 LYS -1.85 1.42 1 53 HIS -6.02 -1.53 1 54 LEU -3.78 -1.73 1 55 ALA -3.35 -1.10 1 56 LEU -3.89 -1.11 1 57 SER -1.76 -0.17 1 58 THR 3.78 0.92 1 59 ASN -4.04 1.21 1 60 ASN -2.63 -1.53 1 61 ILE 2.06 2.74 1 62 GLU -3.04 -0.19 1 63 LYS -4.43 -1.34 1 64 ILE 2.05 1.70 1 65 SER -2.27 0.35 1 66 SER 2.91 1.39 1 67 LEU -0.78 -0.59 1 68 SER 2.91 2.43 1 70 MET 4.10 2.22 1 71 GLU 0.94 2.05 1 72 ASN -3.32 -0.15 1 73 LEU 2.64 3.25 1 74 ARG -2.39 1.01 1 75 ILE -1.87 -0.10 1 76 LEU -5.80 -2.50 1 77 SER -1.76 -1.72 1 78 LEU -5.97 -1.63 1 80 ARG 4.41 1.59 1 81 ASN -3.32 1.41 1 82 LEU -3.37 -1.11 1 83 ILE 2.42 2.74 1 84 LYS -2.28 0.90 1 85 LYS -4.21 -0.94 1 86 ILE 3.61 1.18 1 87 GLU -4.42 -1.57 1 88 ASN 4.45 2.44 1 89 LEU -1.04 -0.33 1 90 ASP 4.52 3.42 1 91 ALA 0.66 1.87 1 92 VAL -1.84 -2.51 1 93 ALA 1.59 2.80 1 94 ASP 2.72 2.66 1 95 THR -0.81 0.48 1 96 LEU 3.23 3.29 1 97 GLU -4.42 0.50 1 98 GLU -3.21 -1.76 1 99 LEU -4.41 -1.11 1 100 TRP -2.51 -2.47 1 101 ILE -3.08 -0.37 1 102 SER 2.39 1.91 1 103 TYR 6.29 3.34 1 104 ASN -3.32 1.41 1 105 GLN -1.43 -1.19 1 106 ILE 2.57 3.25 1 107 ALA -4.48 -0.68 1 108 SER -4.86 -3.27 1 109 LEU 0.30 -0.59 1 110 SER 3.76 3.80 1 112 ILE -2.09 -0.37 1 113 GLU 4.84 3.09 1 114 LYS 0.73 0.38 1 116 VAL 3.34 2.67 1 117 ASN -0.73 0.37 1 118 LEU 1.12 2.35 1 119 ARG -2.82 1.10 1 120 VAL -4.43 -0.44 1 121 LEU -3.89 -1.11 1 123 MET -3.18 -1.93 1 124 SER 1.87 1.39 1 125 ASN 4.97 4.00 1 126 ASN -2.28 0.89 1 127 LYS -0.76 -1.57 1 128 ILE 2.90 1.18 1 129 THR -1.84 1.00 1 130 ASN -4.88 -0.15 1 131 TRP 2.16 3.23 1 133 GLU 2.53 1.53 1 134 ILE 4.64 0.66 1 135 ASP 4.51 4.45 1 136 LYS 3.07 3.23 1 137 LEU 0.65 0.32 1 138 ALA 2.36 2.53 1 139 ALA -0.24 0.97 1 140 LEU 1.81 -0.59 1 141 ASP 1.93 2.90 1 142 LYS -0.64 -1.30 1 143 LEU 2.35 2.54 1 144 GLU -3.90 0.50 1 145 ASP -3.26 -0.21 1 147 LEU -5.66 -0.81 1 148 LEU -4.41 -1.11 1 149 ALA 1.83 0.97 1 151 ASN 1.39 2.69 1 153 LEU 4.91 3.55 1 154 TYR 2.66 3.34 1 155 ASN 4.45 2.96 1 156 ASP 3.99 3.93 1 157 TYR 4.22 4.38 1 158 LYS 4.31 4.01 1 159 GLU 2.83 2.57 1 160 ASN -1.25 -0.15 1 161 ASN 3.42 1.93 1 162 ALA -2.17 -0.96 1 163 THR 6.45 6.18 1 164 SER 6.02 5.02 1 165 GLU 3.35 3.61 1 166 TYR 4.22 2.83 1 167 ARG 4.95 4.21 1 168 ILE 5.16 3.77 1 169 GLU 3.50 3.09 1 170 VAL 7.49 6.30 1 171 VAL 4.89 4.22 1 172 LYS 3.85 4.01 1 173 ARG 0.81 2.14 1 174 LEU -1.03 -0.66 1 176 ASN -0.21 0.37 1 177 LEU 1.29 2.52 1 178 LYS -0.82 1.42 1 179 LYS -2.37 1.42 1 180 LEU -4.93 -1.63 1 181 ASP 4.00 2.90 1 183 MET -3.80 -0.86 1 185 VAL 1.27 1.12 1 186 ASP -2.74 -0.21 1 187 VAL 5.41 4.74 1 188 ASP 2.71 3.16 1 189 GLU 2.56 2.82 1 190 ARG 4.95 4.21 1 191 GLU 3.35 3.09 1 192 GLN 2.92 3.16 1 193 ALA 2.15 2.32 1 194 ASN 2.90 2.96 1 195 VAL 3.34 3.19 1 196 ALA 1.14 1.31 1 197 ARG 1.84 2.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4265_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 6.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.23 _LACS_plot.Line_2_terminator_val_x_2 7.48 _LACS_plot.Line_2_terminator_val_y_2 -1.62 _LACS_plot.Y_axis_chem_shift_offset -0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 122 TYR -3.56 -0.35 0 146 LEU -8.56 6.93 0 48 LEU 1.69 -3.44 0 115 LEU 2.84 -3.95 0 10 ASP 2.80 0.45 1 11 ALA 1.52 1.21 1 12 ILE 5.67 -0.35 1 13 ARG 4.95 -0.74 1 14 ILE 4.65 0.16 1 15 PHE 3.99 -0.45 1 16 GLU 3.23 0.75 1 17 GLU 2.11 0.26 1 18 ARG 2.88 0.81 1 19 LYS -0.73 -0.44 1 20 SER 2.91 -2.04 1 21 VAL -7.02 3.47 1 22 VAL 0.23 -0.15 1 23 ALA 4.20 0.17 1 24 THR 3.86 -0.27 1 25 GLU 1.28 -2.34 1 26 ALA -1.79 1.73 1 27 GLU 1.28 1.29 1 28 LYS -2.38 1.72 1 29 VAL -0.80 0.88 1 30 GLU -0.91 0.70 1 31 LEU -0.79 -1.36 1 32 HIS -4.01 4.55 1 34 MET -0.96 0.55 1 35 ILE -3.42 2.34 1 38 ILE 0.25 1.45 1 39 GLU -3.38 3.36 1 40 LYS -3.41 2.75 1 41 MET -0.74 2.44 1 42 ASP -2.74 2.53 1 43 ALA 1.66 0.17 1 44 THR 6.96 -1.30 1 45 LEU 4.75 -1.63 1 46 SER 2.91 0.55 1 47 THR 0.23 1.29 1 49 LYS 3.62 -0.13 1 50 ALA -1.27 1.21 1 52 LYS -1.85 3.27 1 53 HIS -6.02 4.49 1 54 LEU -3.78 2.05 1 55 ALA -3.35 2.25 1 56 LEU -3.89 2.78 1 57 SER -1.76 1.59 1 58 THR 3.78 -2.86 1 59 ASN -4.04 5.25 1 60 ASN -2.63 1.10 1 61 ILE 2.06 0.68 1 62 GLU -3.04 2.85 1 63 LYS -4.43 3.09 1 64 ILE 2.05 -0.35 1 65 SER -2.27 2.62 1 66 SER 2.91 -1.52 1 67 LEU -0.78 0.19 1 68 SER 2.91 -0.48 1 70 MET 4.10 -1.88 1 71 GLU 0.94 1.11 1 72 ASN -3.32 3.17 1 73 LEU 2.64 0.61 1 74 ARG -2.39 3.40 1 75 ILE -1.87 1.77 1 76 LEU -5.80 3.30 1 77 SER -1.76 0.04 1 78 LEU -5.97 4.34 1 80 ARG 4.41 -2.82 1 81 ASN -3.32 4.73 1 82 LEU -3.37 2.26 1 83 ILE 2.42 0.32 1 84 LYS -2.28 3.18 1 85 LYS -4.21 3.27 1 86 ILE 3.61 -2.43 1 87 GLU -4.42 2.85 1 88 ASN 4.45 -2.01 1 89 LEU -1.04 0.71 1 90 ASP 4.52 -1.10 1 91 ALA 0.66 1.21 1 92 VAL -1.84 -0.67 1 93 ALA 1.59 1.21 1 94 ASP 2.72 -0.06 1 95 THR -0.81 1.29 1 96 LEU 3.23 0.06 1 97 GLU -4.42 4.92 1 98 GLU -3.21 1.45 1 99 LEU -4.41 3.30 1 100 TRP -2.51 0.04 1 101 ILE -3.08 2.71 1 102 SER 2.39 -0.48 1 103 TYR 6.29 -2.95 1 104 ASN -3.32 4.73 1 105 GLN -1.43 0.24 1 106 ILE 2.57 0.68 1 107 ALA -4.48 3.80 1 108 SER -4.86 1.59 1 109 LEU 0.30 -0.89 1 110 SER 3.76 0.04 1 112 ILE -2.09 1.72 1 113 GLU 4.84 -1.75 1 114 LYS 0.73 -0.35 1 116 VAL 3.34 -0.67 1 117 ASN -0.73 1.10 1 118 LEU 1.12 1.23 1 119 ARG -2.82 3.92 1 120 VAL -4.43 3.99 1 121 LEU -3.89 2.78 1 123 MET -3.18 1.25 1 124 SER 1.87 -0.48 1 125 ASN 4.97 -0.97 1 126 ASN -2.28 3.17 1 127 LYS -0.76 -0.81 1 128 ILE 2.90 -1.72 1 129 THR -1.84 2.84 1 130 ASN -4.88 4.73 1 131 TRP 2.16 1.07 1 133 GLU 2.53 -1.00 1 134 ILE 4.64 -3.98 1 135 ASP 4.51 -0.06 1 136 LYS 3.07 0.16 1 137 LEU 0.65 -0.33 1 138 ALA 2.36 0.17 1 139 ALA -0.24 1.21 1 140 LEU 1.81 -2.40 1 141 ASP 1.93 0.97 1 142 LYS -0.64 -0.66 1 143 LEU 2.35 0.19 1 144 GLU -3.90 4.40 1 145 ASP -3.26 3.05 1 147 LEU -5.66 4.85 1 148 LEU -4.41 3.30 1 149 ALA 1.83 -0.86 1 151 ASN 1.39 1.30 1 153 LEU 4.91 -1.36 1 154 TYR 2.66 0.68 1 155 ASN 4.45 -1.49 1 156 ASP 3.99 -0.06 1 157 TYR 4.22 0.16 1 158 LYS 4.31 -0.30 1 159 GLU 2.83 -0.26 1 160 ASN -1.25 1.10 1 161 ASN 3.42 -1.49 1 162 ALA -2.17 1.21 1 163 THR 6.45 -0.27 1 164 SER 6.02 -1.00 1 165 GLU 3.35 0.26 1 166 TYR 4.22 -1.39 1 167 ARG 4.95 -0.74 1 168 ILE 5.16 -1.39 1 169 GLU 3.50 -0.41 1 170 VAL 7.49 -1.19 1 171 VAL 4.89 -0.67 1 172 LYS 3.85 0.16 1 173 ARG 0.81 1.33 1 174 LEU -1.03 0.37 1 176 ASN -0.21 0.58 1 177 LEU 1.29 1.23 1 178 LYS -0.82 2.24 1 179 LYS -2.37 3.79 1 180 LEU -4.93 3.30 1 181 ASP 4.00 -1.10 1 183 MET -3.80 2.94 1 185 VAL 1.27 -0.15 1 186 ASP -2.74 2.53 1 187 VAL 5.41 -0.67 1 188 ASP 2.71 0.45 1 189 GLU 2.56 0.26 1 190 ARG 4.95 -0.74 1 191 GLU 3.35 -0.26 1 192 GLN 2.92 0.24 1 193 ALA 2.15 0.17 1 194 ASN 2.90 0.06 1 195 VAL 3.34 -0.15 1 196 ALA 1.14 0.17 1 197 ARG 1.84 0.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4265_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 0.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _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 7.48 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 149 ALA 1.83 -2.16 0 10 ASP 2.80 -0.05 1 11 ALA 1.52 -0.05 1 12 ILE 5.67 -0.49 1 13 ARG 4.95 0.08 1 14 ILE 4.65 -0.31 1 15 PHE 3.99 -0.33 1 16 GLU 3.23 -0.78 1 17 GLU 2.11 -0.20 1 18 ARG 2.88 -0.13 1 19 LYS -0.73 0.15 1 20 SER 2.91 -0.32 1 21 VAL -7.02 0.58 1 22 VAL 0.23 0.21 1 23 ALA 4.20 -0.20 1 24 THR 3.86 -0.17 1 25 GLU 1.28 0.23 1 26 ALA -1.79 0.18 1 27 GLU 1.28 0.19 1 28 LYS -2.38 1.13 1 29 VAL -0.80 -0.50 1 30 GLU -0.91 0.20 1 31 LEU -0.79 0.32 1 32 HIS -4.01 -0.25 1 34 MET -0.96 -0.06 1 35 ILE -3.42 -0.24 1 38 ILE 0.25 0.03 1 39 GLU -3.38 0.27 1 40 LYS -3.41 0.48 1 41 MET -0.74 -0.37 1 42 ASP -2.74 0.36 1 43 ALA 1.66 0.12 1 44 THR 6.96 -0.27 1 45 LEU 4.75 0.00 1 46 SER 2.91 -0.38 1 47 THR 0.23 0.03 1 48 LEU 1.69 0.19 1 49 LYS 3.62 -0.46 1 50 ALA -1.27 0.02 1 52 LYS -1.85 0.91 1 53 HIS -6.02 0.91 1 54 LEU -3.78 0.07 1 55 ALA -3.35 0.96 1 56 LEU -3.89 0.05 1 57 SER -1.76 0.21 1 58 THR 3.78 -0.40 1 59 ASN -4.04 0.44 1 60 ASN -2.63 0.58 1 61 ILE 2.06 -0.20 1 62 GLU -3.04 0.17 1 63 LYS -4.43 0.16 1 64 ILE 2.05 0.23 1 65 SER -2.27 0.12 1 66 SER 2.91 -0.33 1 67 LEU -0.78 0.00 1 68 SER 2.91 -0.52 1 70 MET 4.10 -0.13 1 71 GLU 0.94 -0.19 1 72 ASN -3.32 0.35 1 74 ARG -2.39 0.84 1 75 ILE -1.87 0.32 1 76 LEU -5.80 0.65 1 77 SER -1.76 1.17 1 78 LEU -5.97 0.01 1 80 ARG 4.41 0.27 1 81 ASN -3.32 0.63 1 82 LEU -3.37 0.56 1 83 ILE 2.42 -0.25 1 84 LYS -2.28 -0.01 1 85 LYS -4.21 0.54 1 86 ILE 3.61 -0.37 1 87 GLU -4.42 0.35 1 88 ASN 4.45 -0.13 1 89 LEU -1.04 0.16 1 90 ASP 4.52 -0.63 1 91 ALA 0.66 -0.05 1 92 VAL -1.84 1.08 1 93 ALA 1.59 -0.30 1 94 ASP 2.72 -0.23 1 95 THR -0.81 0.12 1 97 GLU -4.42 0.66 1 98 GLU -3.21 1.19 1 99 LEU -4.41 0.84 1 100 TRP -2.51 0.97 1 101 ILE -3.08 0.25 1 102 SER 2.39 0.02 1 103 TYR 6.29 -0.26 1 104 ASN -3.32 0.54 1 105 GLN -1.43 0.37 1 106 ILE 2.57 -0.25 1 107 ALA -4.48 0.21 1 108 SER -4.86 0.37 1 109 LEU 0.30 0.22 1 110 SER 3.76 -0.01 1 112 ILE -2.09 -0.07 1 113 GLU 4.84 -0.43 1 114 LYS 0.73 0.02 1 115 LEU 2.84 0.33 1 116 VAL 3.34 -0.18 1 117 ASN -0.73 -0.48 1 118 LEU 1.12 0.57 1 119 ARG -2.82 0.86 1 120 VAL -4.43 0.79 1 121 LEU -3.89 1.07 1 122 TYR -3.56 0.93 1 123 MET -3.18 -0.06 1 124 SER 1.87 -0.28 1 125 ASN 4.97 -0.98 1 126 ASN -2.28 0.56 1 127 LYS -0.76 0.20 1 128 ILE 2.90 0.03 1 129 THR -1.84 0.08 1 130 ASN -4.88 -0.05 1 131 TRP 2.16 -0.30 1 133 GLU 2.53 0.14 1 134 ILE 4.64 -0.34 1 135 ASP 4.51 -0.13 1 136 LYS 3.07 -0.27 1 137 LEU 0.65 -0.19 1 138 ALA 2.36 -0.19 1 139 ALA -0.24 0.05 1 140 LEU 1.81 0.22 1 141 ASP 1.93 -0.22 1 142 LYS -0.64 0.17 1 143 LEU 2.35 -0.18 1 144 GLU -3.90 0.59 1 145 ASP -3.26 0.95 1 146 LEU -8.56 1.41 1 147 LEU -5.66 0.96 1 148 LEU -4.41 0.00 1 151 ASN 1.39 0.02 1 153 LEU 4.91 -0.38 1 154 TYR 2.66 -1.01 1 155 ASN 4.45 -0.40 1 156 ASP 3.99 -0.31 1 157 TYR 4.22 -0.32 1 158 LYS 4.31 0.06 1 159 GLU 2.83 -0.17 1 160 ASN -1.25 0.26 1 161 ASN 3.42 -0.08 1 162 ALA -2.17 0.95 1 163 THR 6.45 -0.39 1 164 SER 6.02 -0.23 1 165 GLU 3.35 -0.24 1 166 TYR 4.22 -0.78 1 167 ARG 4.95 -0.13 1 168 ILE 5.16 -0.72 1 169 GLU 3.50 -0.81 1 170 VAL 7.49 -0.64 1 171 VAL 4.89 -0.64 1 172 LYS 3.85 -0.55 1 173 ARG 0.81 -0.19 1 174 LEU -1.03 0.33 1 176 ASN -0.21 0.12 1 177 LEU 1.29 -0.31 1 178 LYS -0.82 0.30 1 179 LYS -2.37 0.30 1 180 LEU -4.93 1.27 1 181 ASP 4.00 -0.02 1 183 MET -3.80 0.54 1 185 VAL 1.27 0.03 1 186 ASP -2.74 0.29 1 187 VAL 5.41 -0.26 1 188 ASP 2.71 -0.07 1 189 GLU 2.56 -0.17 1 190 ARG 4.95 -0.46 1 191 GLU 3.35 -0.11 1 192 GLN 2.92 -0.25 1 193 ALA 2.15 -0.37 1 194 ASN 2.90 -0.18 1 195 VAL 3.34 -0.22 1 196 ALA 1.14 -0.05 1 197 ARG 1.84 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4265_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.56 _LACS_plot.Line_1_terminator_val_y_1 -2.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.87 _LACS_plot.Line_2_terminator_val_x_2 7.48 _LACS_plot.Line_2_terminator_val_y_2 2.13 _LACS_plot.Y_axis_chem_shift_offset 0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 HIS -4.01 3.45 0 10 ASP 2.80 1.86 1 11 ALA 1.52 1.57 1 12 ILE 5.67 0.90 1 13 ARG 4.95 2.65 1 14 ILE 4.65 2.03 1 15 PHE 3.99 0.68 1 16 GLU 3.23 3.93 1 17 GLU 2.11 2.71 1 18 ARG 2.88 2.80 1 19 LYS -0.73 -0.57 1 20 SER 2.91 -0.69 1 21 VAL -7.02 0.19 1 22 VAL 0.23 2.61 1 23 ALA 4.20 1.33 1 24 THR 3.86 -0.41 1 25 GLU 1.28 -0.62 1 26 ALA -1.79 -0.75 1 27 GLU 1.28 0.19 1 28 LYS -2.38 -1.80 1 30 GLU -0.91 -3.75 1 31 LEU -0.79 -2.99 1 34 MET -0.96 -0.85 1 38 ILE 0.25 -0.30 1 39 GLU -3.38 -0.85 1 40 LYS -3.41 -0.60 1 41 MET -0.74 -2.69 1 42 ASP -2.74 -0.47 1 43 ALA 1.66 1.51 1 44 THR 6.96 2.76 1 45 LEU 4.75 -0.55 1 46 SER 2.91 -0.08 1 47 THR 0.23 2.08 1 48 LEU 1.69 -0.11 1 49 LYS 3.62 0.51 1 50 ALA -1.27 -0.40 1 52 LYS -1.85 0.44 1 53 HIS -6.02 -1.67 1 54 LEU -3.78 -4.79 1 55 ALA -3.35 -2.71 1 56 LEU -3.89 -1.08 1 57 SER -1.76 -1.91 1 58 THR 3.78 -0.18 1 59 ASN -4.04 -2.48 1 60 ASN -2.63 -0.95 1 61 ILE 2.06 0.01 1 62 GLU -3.04 -0.76 1 63 LYS -4.43 -1.85 1 64 ILE 2.05 -0.57 1 65 SER -2.27 -3.34 1 66 SER 2.91 0.26 1 67 LEU -0.78 -1.43 1 68 SER 2.91 0.17 1 70 MET 4.10 1.04 1 71 GLU 0.94 -1.10 1 72 ASN -3.32 0.62 1 73 LEU 2.64 -2.23 1 74 ARG -2.39 0.17 1 75 ILE -1.87 -3.60 1 76 LEU -5.80 -4.34 1 77 SER -1.76 -0.91 1 78 LEU -5.97 -1.13 1 80 ARG 4.41 -1.12 1 81 ASN -3.32 -0.74 1 82 LEU -3.37 -0.78 1 83 ILE 2.42 -2.11 1 84 LYS -2.28 -0.64 1 85 LYS -4.21 -1.80 1 86 ILE 3.61 -3.17 1 87 GLU -4.42 -3.43 1 88 ASN 4.45 -0.25 1 89 LEU -1.04 -0.44 1 90 ASP 4.52 2.04 1 91 ALA 0.66 0.82 1 92 VAL -1.84 -0.47 1 93 ALA 1.59 1.27 1 94 ASP 2.72 0.58 1 95 THR -0.81 0.85 1 96 LEU 3.23 -2.28 1 97 GLU -4.42 1.21 1 98 GLU -3.21 -3.11 1 99 LEU -4.41 -4.35 1 100 TRP -2.51 -1.92 1 101 ILE -3.08 -0.78 1 102 SER 2.39 -1.75 1 103 TYR 6.29 -0.62 1 104 ASN -3.32 -0.78 1 105 GLN -1.43 -0.74 1 106 ILE 2.57 -0.46 1 107 ALA -4.48 -1.54 1 108 SER -4.86 0.76 1 109 LEU 0.30 -1.37 1 110 SER 3.76 -0.65 1 112 ILE -2.09 -0.26 1 113 GLU 4.84 -0.31 1 114 LYS 0.73 1.44 1 115 LEU 2.84 -0.06 1 116 VAL 3.34 1.67 1 117 ASN -0.73 -0.64 1 118 LEU 1.12 -1.46 1 119 ARG -2.82 1.10 1 120 VAL -4.43 -2.70 1 121 LEU -3.89 -3.54 1 122 TYR -3.56 -2.48 1 123 MET -3.18 0.39 1 124 SER 1.87 0.71 1 125 ASN 4.97 -1.89 1 126 ASN -2.28 -0.71 1 127 LYS -0.76 -1.01 1 128 ILE 2.90 1.48 1 129 THR -1.84 0.17 1 130 ASN -4.88 -0.48 1 131 TRP 2.16 1.66 1 133 GLU 2.53 1.51 1 134 ILE 4.64 2.39 1 135 ASP 4.51 3.00 1 136 LYS 3.07 1.69 1 137 LEU 0.65 0.30 1 138 ALA 2.36 -0.06 1 139 ALA -0.24 -0.70 1 140 LEU 1.81 -0.28 1 141 ASP 1.93 0.88 1 142 LYS -0.64 0.04 1 143 LEU 2.35 -0.98 1 144 GLU -3.90 -0.88 1 145 ASP -3.26 -3.28 1 146 LEU -8.56 -2.62 1 147 LEU -5.66 -3.59 1 148 LEU -4.41 -0.23 1 149 ALA 1.83 -1.13 1 153 LEU 4.91 -0.34 1 154 TYR 2.66 2.31 1 155 ASN 4.45 1.96 1 156 ASP 3.99 2.32 1 157 TYR 4.22 2.83 1 158 LYS 4.31 4.19 1 159 GLU 2.83 0.32 1 160 ASN -1.25 -1.08 1 161 ASN 3.42 0.30 1 162 ALA -2.17 0.76 1 163 THR 6.45 1.73 1 164 SER 6.02 1.37 1 165 GLU 3.35 1.93 1 166 TYR 4.22 -0.29 1 167 ARG 4.95 2.13 1 168 ILE 5.16 1.25 1 169 GLU 3.50 3.22 1 170 VAL 7.49 1.57 1 171 VAL 4.89 1.16 1 172 LYS 3.85 1.93 1 173 ARG 0.81 -0.89 1 176 ASN -0.21 0.55 1 177 LEU 1.29 -0.84 1 178 LYS -0.82 1.38 1 179 LYS -2.37 -4.38 1 180 LEU -4.93 -1.05 1 181 ASP 4.00 -0.25 1 185 VAL 1.27 -0.06 1 186 ASP -2.74 0.52 1 187 VAL 5.41 1.48 1 188 ASP 2.71 2.86 1 189 GLU 2.56 1.55 1 190 ARG 4.95 2.63 1 191 GLU 3.35 2.84 1 192 GLN 2.92 3.13 1 193 ALA 2.15 0.31 1 194 ASN 2.90 2.78 1 195 VAL 3.34 1.93 1 196 ALA 1.14 0.96 1 197 ARG 1.84 0.98 1 stop_ save_