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 bmr4720_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 -4.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 4.22 _LACS_plot.Line_2_terminator_val_y_2 2.96 _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 79 MET -7.75 0.10 0 11 ILE 0.03 -0.13 1 12 LYS 0.14 0.07 1 14 ILE 0.10 -0.13 1 15 LEU 0.33 -0.15 1 16 LYS 0.40 -0.04 1 17 ASN -0.01 -0.12 1 18 LYS 0.50 0.28 1 19 THR 0.11 -0.07 1 20 SER 0.19 -0.02 1 21 THR 0.26 -0.07 1 22 THR 0.37 0.04 1 23 SER 0.38 0.15 1 24 SER 0.38 0.15 1 25 MET 0.67 0.21 1 26 VAL 0.28 -0.03 1 27 ALA 0.01 -0.06 1 28 SER 0.16 -0.07 1 29 ALA -0.07 -0.06 1 30 GLU -0.65 -0.44 1 31 GLN -0.21 -0.28 1 33 ARG 0.07 -0.06 1 35 ASN 0.18 -0.01 1 36 VAL 0.87 0.41 1 37 ASP 0.88 0.53 1 38 GLU 0.72 0.79 1 39 GLU 1.06 0.72 1 40 LEU 1.63 1.00 1 41 SER 1.41 0.81 1 42 LYS 1.15 0.61 1 43 LYS 1.08 0.50 1 44 SER 0.64 0.26 1 45 GLN 0.72 0.35 1 46 LYS 0.76 0.10 1 47 TRP 0.77 0.41 1 48 ASP 0.89 0.32 1 49 GLU 0.95 0.65 1 50 MET 1.25 0.65 1 51 ASN 0.84 0.43 1 52 ILE 1.13 0.74 1 53 LEU 0.92 0.29 1 54 ALA 0.34 0.27 1 55 THR 0.19 -0.07 1 56 TYR -0.14 -0.21 1 57 HIS -0.48 -0.75 1 59 ALA 0.01 -0.06 1 60 ASP 0.30 0.10 1 61 LYS 0.62 0.18 1 62 ASP 0.19 -0.23 1 63 TYR 1.37 0.77 1 65 LEU 0.28 0.03 1 66 MET 0.19 -0.12 1 67 LYS 0.32 -0.15 1 68 ILE -0.23 -0.24 1 69 ASP -0.03 -0.23 1 70 GLU -0.60 -0.12 1 72 SER -0.06 -0.07 1 73 THR -0.07 -0.25 1 75 TYR 0.33 0.10 1 76 HIS -0.34 -0.10 1 77 SER 0.29 -0.02 1 78 MET 0.63 0.10 1 81 ASP 0.25 0.05 1 82 ASP 0.30 -0.01 1 83 GLU 0.36 0.21 1 84 ASP 0.54 0.12 1 85 ALA 0.04 0.05 1 87 SER 0.20 0.04 1 88 ASP 0.63 0.21 1 89 THR 0.81 0.48 1 90 GLU 0.21 -0.01 1 91 ALA 0.37 0.16 1 92 THR 0.55 0.37 1 93 GLU 0.21 -0.01 1 94 ALA 0.08 -0.06 1 95 MET -0.78 -0.45 1 96 ALA 0.75 0.52 1 98 ASP 1.79 0.86 1 99 ILE 2.76 1.73 1 100 LEU 2.70 1.71 1 101 ALA 2.27 1.47 1 102 ARG 2.44 1.80 1 103 LYS 2.18 1.60 1 104 LEU 1.83 1.20 1 105 ALA 1.28 0.70 1 106 ALA 1.06 0.48 1 107 ALA 0.78 0.38 1 108 GLU 0.03 0.10 1 110 LEU -0.40 -0.37 1 111 GLU 0.36 0.32 1 113 LYS 0.98 0.30 1 114 TYR -0.20 -0.43 1 115 ARG -0.04 -0.17 1 116 ILE 0.58 0.20 1 117 GLN 0.40 0.24 1 118 GLU 0.04 -0.01 1 119 GLN 0.15 0.13 1 120 GLU -0.11 -0.12 1 121 SER -0.12 -0.28 1 122 SER 0.09 0.15 1 124 GLU -0.16 -0.22 1 125 GLU 0.00 -0.01 1 126 ASP 0.92 0.29 1 127 SER 1.41 1.03 1 128 ASP 0.57 -0.06 1 129 LEU -1.63 -0.80 1 130 SER 0.76 0.08 1 132 GLU 4.23 3.06 1 133 GLU 2.16 2.07 1 134 ARG 3.68 2.67 1 135 GLU 3.06 1.74 1 136 LYS 3.96 3.02 1 137 LYS 3.75 2.90 1 138 ARG 3.61 2.89 1 139 GLN 3.97 2.64 1 140 PHE 3.53 2.72 1 141 GLU 2.29 1.63 1 142 MET 2.82 2.18 1 143 LYS 2.65 1.78 1 144 ARG 0.14 1.47 1 145 LYS 1.73 1.05 1 146 LEU 1.03 0.62 1 147 HIS 0.99 0.50 1 148 TYR 0.97 0.66 1 149 ASN 0.73 0.32 1 150 GLU 0.87 0.65 1 152 LEU 0.59 0.40 1 153 ASN 1.06 0.43 1 154 ILE 1.34 0.74 1 155 LYS 1.60 0.94 1 156 LEU 0.70 0.29 1 157 ALA 0.88 0.59 1 158 ARG 1.11 0.63 1 159 GLN 0.82 0.51 1 160 LEU 0.59 0.18 1 161 ILE 0.10 -0.13 1 162 SER 0.24 -0.07 1 163 LYS 0.64 0.28 1 164 ASP 0.22 -0.05 1 165 LEU 0.29 -0.04 1 166 HIS 0.30 0.17 1 167 ASP 0.37 0.10 1 168 ASP 0.45 0.10 1 169 ASP 0.52 0.10 1 170 GLU -0.12 -0.27 1 171 ASP 0.31 -0.01 1 172 GLU -0.69 -0.55 1 173 GLU 0.48 1.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4720_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 3.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 4.22 _LACS_plot.Line_2_terminator_val_y_2 -1.26 _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 79 MET -7.75 7.85 0 11 ILE 0.03 -0.16 1 12 LYS 0.14 -0.07 1 14 ILE 0.10 -0.23 1 15 LEU 0.33 -0.48 1 16 LYS 0.40 -0.44 1 17 ASN -0.01 -0.11 1 18 LYS 0.50 -0.22 1 19 THR 0.11 -0.18 1 20 SER 0.19 -0.21 1 21 THR 0.26 -0.33 1 22 THR 0.37 -0.33 1 23 SER 0.38 -0.23 1 24 SER 0.38 -0.23 1 25 MET 0.67 -0.46 1 26 VAL 0.28 -0.31 1 27 ALA 0.01 -0.07 1 28 SER 0.16 -0.23 1 29 ALA -0.07 0.01 1 30 GLU -0.65 0.21 1 31 GLN -0.21 -0.07 1 33 ARG 0.07 -0.13 1 35 ASN 0.18 -0.19 1 36 VAL 0.87 -0.46 1 37 ASP 0.88 -0.35 1 38 GLU 0.72 0.07 1 39 GLU 1.06 -0.34 1 40 LEU 1.63 -0.63 1 41 SER 1.41 -0.60 1 42 LYS 1.15 -0.54 1 43 LYS 1.08 -0.58 1 44 SER 0.64 -0.38 1 45 GLN 0.72 -0.37 1 46 LYS 0.76 -0.66 1 47 TRP 0.77 -0.36 1 48 ASP 0.89 -0.57 1 49 GLU 0.95 -0.30 1 50 MET 1.25 -0.60 1 51 ASN 0.84 -0.41 1 52 ILE 1.13 -0.39 1 53 LEU 0.92 -0.63 1 54 ALA 0.34 -0.07 1 55 THR 0.19 -0.26 1 56 TYR -0.14 -0.07 1 57 HIS -0.48 -0.27 1 59 ALA 0.01 -0.07 1 60 ASP 0.30 -0.20 1 61 LYS 0.62 -0.44 1 62 ASP 0.19 -0.42 1 63 TYR 1.37 -0.60 1 65 LEU 0.28 -0.25 1 66 MET 0.19 -0.31 1 67 LYS 0.32 -0.47 1 68 ILE -0.23 -0.01 1 69 ASP -0.03 -0.20 1 70 GLU -0.60 0.48 1 72 SER -0.06 -0.01 1 73 THR -0.07 -0.18 1 75 TYR 0.33 -0.23 1 76 HIS -0.34 0.24 1 77 SER 0.29 -0.31 1 78 MET 0.63 -0.53 1 81 ASP 0.25 -0.20 1 82 ASP 0.30 -0.31 1 83 GLU 0.36 -0.15 1 84 ASP 0.54 -0.42 1 85 ALA 0.04 0.01 1 87 SER 0.20 -0.16 1 88 ASP 0.63 -0.42 1 89 THR 0.81 -0.33 1 90 GLU 0.21 -0.22 1 91 ALA 0.37 -0.21 1 92 THR 0.55 -0.18 1 93 GLU 0.21 -0.22 1 94 ALA 0.08 -0.14 1 95 MET -0.78 0.33 1 96 ALA 0.75 -0.23 1 98 ASP 1.79 -0.93 1 99 ILE 2.76 -1.03 1 100 LEU 2.70 -0.99 1 101 ALA 2.27 -0.80 1 102 ARG 2.44 -0.64 1 103 LYS 2.18 -0.58 1 104 LEU 1.83 -0.63 1 105 ALA 1.28 -0.58 1 106 ALA 1.06 -0.58 1 107 ALA 0.78 -0.40 1 108 GLU 0.03 0.07 1 110 LEU -0.40 0.03 1 111 GLU 0.36 -0.04 1 113 LYS 0.98 -0.68 1 114 TYR -0.20 -0.23 1 115 ARG -0.04 -0.13 1 116 ILE 0.58 -0.38 1 117 GLN 0.40 -0.16 1 118 GLU 0.04 -0.05 1 119 GLN 0.15 -0.02 1 120 GLU -0.11 -0.01 1 121 SER -0.12 -0.16 1 122 SER 0.09 0.06 1 124 GLU -0.16 -0.06 1 125 GLU 0.00 -0.01 1 126 ASP 0.92 -0.63 1 127 SER 1.41 -0.38 1 128 ASP 0.57 -0.63 1 129 LEU -1.63 0.83 1 130 SER 0.76 -0.68 1 132 GLU 4.23 -1.17 1 133 GLU 2.16 -0.09 1 134 ARG 3.68 -1.01 1 135 GLU 3.06 -1.32 1 136 LYS 3.96 -0.94 1 137 LYS 3.75 -0.85 1 138 ARG 3.61 -0.72 1 139 GLN 3.97 -1.33 1 140 PHE 3.53 -0.81 1 141 GLU 2.29 -0.66 1 142 MET 2.82 -0.64 1 143 LYS 2.65 -0.87 1 144 ARG 0.14 1.33 1 145 LYS 1.73 -0.68 1 146 LEU 1.03 -0.41 1 147 HIS 0.99 -0.49 1 148 TYR 0.97 -0.31 1 149 ASN 0.73 -0.41 1 150 GLU 0.87 -0.22 1 152 LEU 0.59 -0.19 1 153 ASN 1.06 -0.63 1 154 ILE 1.34 -0.60 1 155 LYS 1.60 -0.66 1 156 LEU 0.70 -0.41 1 157 ALA 0.88 -0.29 1 158 ARG 1.11 -0.48 1 159 GLN 0.82 -0.31 1 160 LEU 0.59 -0.41 1 161 ILE 0.10 -0.23 1 162 SER 0.24 -0.31 1 163 LYS 0.64 -0.36 1 164 ASP 0.22 -0.27 1 165 LEU 0.29 -0.33 1 166 HIS 0.30 -0.13 1 167 ASP 0.37 -0.27 1 168 ASP 0.45 -0.35 1 169 ASP 0.52 -0.42 1 170 GLU -0.12 -0.15 1 171 ASP 0.31 -0.32 1 172 GLU -0.69 0.14 1 173 GLU 0.48 0.72 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4720_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 0.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.04 _LACS_plot.Line_2_terminator_val_x_2 4.22 _LACS_plot.Line_2_terminator_val_y_2 -0.36 _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 79 MET -7.75 -0.05 0 11 ILE 0.03 -0.13 1 12 LYS 0.14 -0.08 1 14 ILE 0.10 -0.05 1 15 LEU 0.33 -0.06 1 16 LYS 0.40 -0.08 1 17 ASN -0.01 -0.15 1 18 LYS 0.50 -0.04 1 19 THR 0.11 0.00 1 20 SER 0.19 0.00 1 21 THR 0.26 0.04 1 22 THR 0.37 -0.01 1 23 SER 0.38 -0.04 1 24 SER 0.38 -0.08 1 25 MET 0.67 -0.05 1 26 VAL 0.28 -0.08 1 27 ALA 0.01 -0.04 1 28 SER 0.16 -0.12 1 29 ALA -0.07 -0.05 1 30 GLU -0.65 -0.14 1 31 GLN -0.21 -0.12 1 33 ARG 0.07 -0.06 1 35 ASN 0.18 -0.07 1 36 VAL 0.87 -0.12 1 37 ASP 0.88 -0.12 1 38 GLU 0.72 -0.19 1 39 GLU 1.06 -0.23 1 40 LEU 1.63 -0.18 1 41 SER 1.41 -0.19 1 42 LYS 1.15 -0.12 1 43 LYS 1.08 -0.08 1 44 SER 0.64 -0.12 1 45 GLN 0.72 -0.13 1 46 LYS 0.76 -0.16 1 47 TRP 0.77 -0.13 1 48 ASP 0.89 -0.25 1 49 GLU 0.95 -0.30 1 50 MET 1.25 -0.18 1 51 ASN 0.84 -0.23 1 52 ILE 1.13 -0.13 1 53 LEU 0.92 -0.10 1 54 ALA 0.34 -0.08 1 55 THR 0.19 -0.17 1 56 TYR -0.14 -0.12 1 57 HIS -0.48 -0.24 1 59 ALA 0.01 -0.08 1 60 ASP 0.30 -0.17 1 61 LYS 0.62 -0.16 1 62 ASP 0.19 -0.13 1 63 TYR 1.37 -0.21 1 65 LEU 0.28 -0.06 1 66 MET 0.19 -0.13 1 67 LYS 0.32 -0.06 1 68 ILE -0.23 -0.05 1 69 ASP -0.03 -0.09 1 70 GLU -0.60 -0.09 1 72 SER -0.06 -0.08 1 73 THR -0.07 -0.06 1 75 TYR 0.33 -0.14 1 76 HIS -0.34 -0.18 1 77 SER 0.29 -0.16 1 78 MET 0.63 -0.05 1 81 ASP 0.25 -0.05 1 82 ASP 0.30 -0.05 1 83 GLU 0.36 -0.19 1 84 ASP 0.54 -0.13 1 85 ALA 0.04 -0.08 1 87 SER 0.20 -0.04 1 88 ASP 0.63 -0.01 1 89 THR 0.81 -0.12 1 90 GLU 0.21 -0.15 1 91 ALA 0.37 -0.04 1 92 THR 0.55 -0.13 1 93 GLU 0.21 -0.15 1 94 ALA 0.08 -0.12 1 95 MET -0.78 -0.13 1 96 ALA 0.75 -0.13 1 98 ASP 1.79 -0.17 1 99 ILE 2.76 -0.32 1 100 LEU 2.70 -0.25 1 101 ALA 2.27 -0.24 1 102 ARG 2.44 -0.26 1 103 LYS 2.18 -0.20 1 104 LEU 1.83 -0.18 1 105 ALA 1.28 -0.15 1 106 ALA 1.06 -0.12 1 107 ALA 0.78 -0.28 1 108 GLU 0.03 -0.12 1 110 LEU -0.40 -0.03 1 111 GLU 0.36 -0.43 1 113 LYS 0.98 -0.21 1 114 TYR -0.20 -0.04 1 115 ARG -0.04 -0.10 1 116 ILE 0.58 -0.17 1 117 GLN 0.40 -0.10 1 118 GLU 0.04 -0.14 1 119 GLN 0.15 -0.06 1 120 GLU -0.11 -0.11 1 121 SER -0.12 -0.04 1 122 SER 0.09 -0.04 1 124 GLU -0.16 -0.11 1 125 GLU 0.00 -0.11 1 126 ASP 0.92 -0.09 1 127 SER 1.41 -0.23 1 128 ASP 0.57 -0.05 1 129 LEU -1.63 0.05 1 130 SER 0.76 -0.12 1 132 GLU 4.23 -0.31 1 133 GLU 2.16 -0.35 1 134 ARG 3.68 -0.49 1 135 GLU 3.06 -0.15 1 136 LYS 3.96 -0.36 1 137 LYS 3.75 -0.24 1 138 ARG 3.61 -0.30 1 139 GLN 3.97 -0.34 1 140 PHE 3.53 -0.34 1 141 GLU 2.29 -0.39 1 142 MET 2.82 -0.32 1 143 LYS 2.65 -0.32 1 144 ARG 0.14 -0.34 1 145 LYS 1.73 -0.24 1 146 LEU 1.03 -0.18 1 147 HIS 0.99 -0.18 1 148 TYR 0.97 -0.20 1 149 ASN 0.73 -0.29 1 150 GLU 0.87 -0.23 1 152 LEU 0.59 -0.14 1 153 ASN 1.06 -0.19 1 154 ILE 1.34 -0.17 1 155 LYS 1.60 -0.16 1 156 LEU 0.70 -0.14 1 157 ALA 0.88 -0.15 1 158 ARG 1.11 0.01 1 159 GLN 0.82 -0.13 1 160 LEU 0.59 -0.06 1 161 ILE 0.10 -0.05 1 162 SER 0.24 -0.12 1 163 LYS 0.64 -0.08 1 164 ASP 0.22 -0.13 1 165 LEU 0.29 -0.14 1 166 HIS 0.30 -0.14 1 167 ASP 0.37 -0.09 1 168 ASP 0.45 -0.09 1 169 ASP 0.52 -0.09 1 170 GLU -0.12 -0.11 1 171 ASP 0.31 -0.09 1 172 GLU -0.69 -0.07 1 173 GLU 0.48 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4720_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 -5.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.71 _LACS_plot.Line_2_terminator_val_x_2 4.22 _LACS_plot.Line_2_terminator_val_y_2 2.27 _LACS_plot.Y_axis_chem_shift_offset 0.43 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 MET -7.75 0.18 0 11 ILE 0.03 -0.21 1 12 LYS 0.14 0.03 1 14 ILE 0.10 -0.12 1 15 LEU 0.33 -0.64 1 16 LYS 0.40 -0.55 1 17 ASN -0.01 -0.20 1 18 LYS 0.50 0.07 1 19 THR 0.11 -0.25 1 20 SER 0.19 0.09 1 21 THR 0.26 0.00 1 22 THR 0.37 0.10 1 23 SER 0.38 0.00 1 24 SER 0.38 -0.28 1 25 MET 0.67 -0.31 1 26 VAL 0.28 -0.57 1 27 ALA 0.01 -0.19 1 28 SER 0.16 -0.31 1 29 ALA -0.07 -0.33 1 30 GLU -0.65 -0.50 1 31 GLN -0.21 -0.62 1 33 ARG 0.07 0.44 1 35 ASN 0.18 0.17 1 36 VAL 0.87 -0.43 1 37 ASP 0.88 0.39 1 38 GLU 0.72 0.45 1 39 GLU 1.06 0.80 1 40 LEU 1.63 0.61 1 41 SER 1.41 0.47 1 42 LYS 1.15 0.36 1 43 LYS 1.08 0.16 1 44 SER 0.64 -0.03 1 45 GLN 0.72 -0.07 1 46 LYS 0.76 -0.02 1 47 TRP 0.77 0.16 1 48 ASP 0.89 0.16 1 49 GLU 0.95 0.20 1 50 MET 1.25 0.02 1 51 ASN 0.84 0.21 1 52 ILE 1.13 0.11 1 53 LEU 0.92 -0.33 1 54 ALA 0.34 -0.10 1 55 THR 0.19 -0.88 1 56 TYR -0.14 -1.28 1 57 HIS -0.48 -1.10 1 59 ALA 0.01 -0.34 1 60 ASP 0.30 -0.08 1 61 LYS 0.62 -0.83 1 62 ASP 0.19 -0.28 1 63 TYR 1.37 0.62 1 65 LEU 0.28 -0.38 1 66 MET 0.19 -0.64 1 67 LYS 0.32 -0.51 1 68 ILE -0.23 -0.85 1 69 ASP -0.03 -0.95 1 70 GLU -0.60 -0.65 1 72 SER -0.06 -0.35 1 73 THR -0.07 -0.46 1 75 TYR 0.33 -0.54 1 76 HIS -0.34 -0.44 1 77 SER 0.29 -0.08 1 78 MET 0.63 -0.18 1 81 ASP 0.25 -0.41 1 82 ASP 0.30 -0.02 1 83 GLU 0.36 -0.34 1 84 ASP 0.54 -0.36 1 85 ALA 0.04 -0.14 1 87 SER 0.20 -0.39 1 88 ASP 0.63 0.10 1 89 THR 0.81 0.04 1 90 GLU 0.21 -0.29 1 91 ALA 0.37 0.22 1 92 THR 0.55 0.21 1 93 GLU 0.21 -0.47 1 94 ALA 0.08 -0.36 1 95 MET -0.78 -0.92 1 96 ALA 0.75 0.04 1 98 ASP 1.79 0.86 1 99 ILE 2.76 1.13 1 100 LEU 2.70 0.49 1 101 ALA 2.27 1.60 1 102 ARG 2.44 1.40 1 103 LYS 2.18 1.44 1 104 LEU 1.83 0.41 1 105 ALA 1.28 0.58 1 106 ALA 1.06 0.38 1 107 ALA 0.78 0.26 1 108 GLU 0.03 0.37 1 110 LEU -0.40 -0.55 1 111 GLU 0.36 -0.48 1 113 LYS 0.98 -0.35 1 114 TYR -0.20 -0.55 1 115 ARG -0.04 -0.49 1 116 ILE 0.58 -0.25 1 117 GLN 0.40 -0.17 1 118 GLU 0.04 -0.29 1 119 GLN 0.15 -0.14 1 120 GLU -0.11 -0.23 1 121 SER -0.12 -0.01 1 122 SER 0.09 0.37 1 124 GLU -0.16 0.01 1 125 GLU 0.00 -0.20 1 126 ASP 0.92 0.28 1 127 SER 1.41 -0.31 1 128 ASP 0.57 -0.56 1 129 LEU -1.63 -0.49 1 130 SER 0.76 -0.12 1 132 GLU 4.23 2.55 1 133 GLU 2.16 2.70 1 134 ARG 3.68 2.33 1 135 GLU 3.06 1.57 1 136 LYS 3.96 2.41 1 137 LYS 3.75 1.51 1 138 ARG 3.61 2.54 1 139 GLN 3.97 2.02 1 140 PHE 3.53 1.81 1 141 GLU 2.29 1.77 1 142 MET 2.82 1.38 1 143 LYS 2.65 1.09 1 144 ARG 0.14 0.94 1 145 LYS 1.73 0.39 1 146 LEU 1.03 -0.23 1 147 HIS 0.99 0.49 1 148 TYR 0.97 -0.22 1 149 ASN 0.73 -0.03 1 150 GLU 0.87 0.36 1 152 LEU 0.59 -0.45 1 153 ASN 1.06 0.35 1 154 ILE 1.34 -0.11 1 155 LYS 1.60 0.54 1 156 LEU 0.70 -0.17 1 157 ALA 0.88 0.35 1 158 ARG 1.11 0.32 1 159 GLN 0.82 -0.01 1 160 LEU 0.59 -0.36 1 161 ILE 0.10 -0.32 1 162 SER 0.24 -0.12 1 163 LYS 0.64 -0.62 1 164 ASP 0.22 -0.72 1 165 LEU 0.29 -0.64 1 166 HIS 0.30 -0.04 1 167 ASP 0.37 -0.57 1 168 ASP 0.45 -0.54 1 169 ASP 0.52 -0.14 1 170 GLU -0.12 -0.58 1 171 ASP 0.31 -0.54 1 172 GLU -0.69 -1.23 1 173 GLU 0.48 4.23 1 stop_ save_