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 bmr19866_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.90 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 7.40 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 THR -2.94 0.48 0 162 LYS -5.90 -1.63 0 15 GLU -0.72 -0.15 1 16 ASN -0.16 0.06 1 18 SER 0.15 0.34 1 19 ALA -0.06 0.35 1 20 SER 0.03 0.22 1 21 ASN 0.67 0.61 1 22 GLN 0.26 0.39 1 23 LEU 0.89 0.64 1 24 ILE 0.33 0.05 1 25 GLN -0.09 0.04 1 26 LYS -0.01 0.24 1 27 LYS 0.07 0.25 1 28 TYR -2.10 -0.58 1 29 VAL -3.09 -1.04 1 30 SER -5.34 -1.75 1 31 TRP 4.95 3.87 1 32 ARG 4.10 2.88 1 33 ASP 2.98 3.22 1 34 ALA 2.61 3.10 1 35 ALA 3.86 2.61 1 36 ASP 4.08 3.37 1 37 GLU 3.25 2.10 1 38 ALA 2.80 3.24 1 39 ASN 3.25 3.43 1 40 THR 4.69 4.01 1 41 GLN 2.20 2.48 1 42 VAL 5.90 3.95 1 43 ALA 2.83 2.23 1 44 ALA 1.58 0.87 1 45 HIS -0.06 -0.08 1 46 GLU 3.58 3.37 1 47 ALA 4.66 3.51 1 48 GLU 3.88 2.73 1 49 ILE 4.86 3.76 1 50 LYS 5.77 5.14 1 51 GLU 3.82 3.45 1 52 GLU 3.55 2.90 1 53 THR 9.47 7.52 1 54 LEU 2.59 2.13 1 55 ARG -0.63 -0.57 1 56 GLN 1.75 2.41 1 59 VAL 5.45 4.11 1 60 VAL 5.00 4.27 1 61 ALA 3.69 2.77 1 62 ALA 3.01 2.41 1 63 GLN 3.65 2.44 1 64 GLN 4.82 3.44 1 65 ALA 3.61 2.54 1 66 LEU 2.89 3.05 1 67 ASP 4.38 3.22 1 68 LYS 3.74 3.14 1 69 ALA 3.23 2.23 1 70 ASN 1.61 2.02 1 71 ALA -0.62 -0.36 1 72 ILE 1.77 1.58 1 73 VAL -0.74 -0.59 1 75 HIS 3.52 3.65 1 76 ASP 1.59 0.74 1 77 HIS 5.82 5.67 1 78 GLU 4.61 3.99 1 79 GLN 3.25 2.94 1 80 ALA 3.22 2.77 1 81 VAL 6.02 4.73 1 82 LYS 4.45 3.85 1 83 ARG 3.38 2.64 1 84 ALA 2.83 2.15 1 85 GLN 4.02 3.57 1 86 GLU 3.77 2.90 1 87 ASP 4.37 3.21 1 88 TYR 4.81 4.46 1 89 ASN 4.56 3.35 1 90 THR 5.96 5.06 1 91 ALA 3.92 2.85 1 92 TYR 5.06 4.63 1 93 ASN 4.33 3.82 1 94 GLU 2.96 2.90 1 95 ALA 1.75 2.54 1 96 TYR 3.00 2.67 1 97 ASN 4.24 3.82 1 98 THR 6.11 5.20 1 99 VAL 6.44 4.63 1 100 ARG 6.19 4.80 1 101 ASN 4.35 3.35 1 102 ARG 2.44 3.73 1 103 TYR 4.76 4.71 1 104 ILE 6.06 5.11 1 105 GLN 5.13 3.77 1 106 VAL 5.49 4.20 1 107 LEU 3.70 2.84 1 108 GLN 4.21 3.98 1 109 GLN 4.95 3.55 1 110 LYS 4.64 3.30 1 111 TYR 3.97 3.07 1 112 ILE 5.28 4.10 1 113 GLU 3.86 3.13 1 114 ALA 3.42 2.50 1 115 ALA 3.50 2.50 1 116 LYS 3.87 3.39 1 117 ALA 3.38 2.54 1 118 GLN 0.15 0.36 1 120 ASN -1.29 -0.57 1 121 TYR -1.42 -0.36 1 122 TYR -2.12 -0.83 1 123 ASP -1.59 -0.80 1 124 GLU 0.61 1.02 1 125 THR 1.35 1.07 1 126 ALA 0.33 0.35 1 127 VAL 1.06 0.82 1 128 GLU 0.45 0.55 1 129 ALA 0.48 0.66 1 130 ASN 0.20 0.30 1 131 ARG -0.60 0.06 1 132 THR -0.63 0.07 1 133 ASN 3.64 3.03 1 134 GLU 6.01 5.09 1 135 GLN 3.05 2.55 1 136 ARG 4.40 3.58 1 137 ILE 4.46 3.90 1 138 ALA 4.00 3.16 1 139 ASP 4.35 3.27 1 140 ASP 4.27 3.34 1 141 ILE 5.41 3.49 1 142 LYS 4.60 3.38 1 143 ALA 3.92 3.24 1 144 GLN 1.38 2.41 1 147 LYS -1.74 -0.69 1 148 ASP 0.40 0.57 1 149 VAL -5.51 -3.17 1 150 THR -2.71 -1.04 1 151 VAL -2.46 -0.98 1 152 THR -3.89 -1.75 1 153 LYS -1.03 -0.14 1 154 ASP -2.85 -2.06 1 155 GLU 2.88 1.88 1 156 ASN -0.90 -0.02 1 158 ASN -1.14 -0.96 1 159 TYR -0.47 -0.12 1 160 VAL 0.04 0.27 1 161 VAL -0.17 -0.93 1 163 ASP -2.45 -2.21 1 164 GLU 2.98 2.12 1 165 LYS -0.25 -0.69 1 167 ASN 0.22 -0.07 1 168 VAL 3.18 1.92 1 169 VAL -0.17 0.17 1 170 ALA -3.20 -0.36 1 171 THR -0.01 0.60 1 172 VAL -5.83 -2.86 1 173 ASP -2.85 -1.67 1 174 LYS 3.42 2.35 1 175 ASP -0.65 0.06 1 177 LYS -0.25 -0.38 1 178 THR 2.37 1.93 1 179 VAL -0.20 -0.13 1 180 LYS -0.41 -0.30 1 181 ALA -0.38 0.03 1 182 ASP -0.42 -0.10 1 183 ALA -0.10 0.19 1 184 LYS 0.50 0.29 1 185 ALA -0.93 -0.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19866_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.90 _LACS_plot.Line_1_terminator_val_y_1 2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 -2.07 _LACS_plot.Y_axis_chem_shift_offset -0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 THR -2.94 3.42 0 162 LYS -5.90 4.27 0 15 GLU -0.72 0.57 1 16 ASN -0.16 0.22 1 18 SER 0.15 0.19 1 19 ALA -0.06 0.41 1 20 SER 0.03 0.19 1 21 ASN 0.67 -0.06 1 22 GLN 0.26 0.13 1 23 LEU 0.89 -0.25 1 24 ILE 0.33 -0.28 1 25 GLN -0.09 0.13 1 26 LYS -0.01 0.25 1 27 LYS 0.07 0.18 1 28 TYR -2.10 1.52 1 29 VAL -3.09 2.05 1 30 SER -5.34 3.59 1 31 TRP 4.95 -1.08 1 32 ARG 4.10 -1.22 1 33 ASP 2.98 0.24 1 34 ALA 2.61 0.49 1 35 ALA 3.86 -1.25 1 36 ASP 4.08 -0.71 1 37 GLU 3.25 -1.15 1 38 ALA 2.80 0.44 1 39 ASN 3.25 0.18 1 40 THR 4.69 -0.68 1 41 GLN 2.20 0.28 1 42 VAL 5.90 -1.95 1 43 ALA 2.83 -0.60 1 44 ALA 1.58 -0.71 1 45 HIS -0.06 -0.02 1 46 GLU 3.58 -0.21 1 47 ALA 4.66 -1.15 1 48 GLU 3.88 -1.15 1 49 ILE 4.86 -1.10 1 50 LYS 5.77 -0.63 1 51 GLU 3.82 -0.37 1 52 GLU 3.55 -0.65 1 53 THR 9.47 -1.95 1 54 LEU 2.59 -0.46 1 55 ARG -0.63 0.06 1 56 GLN 1.75 0.66 1 59 VAL 5.45 -1.34 1 60 VAL 5.00 -0.73 1 61 ALA 3.69 -0.92 1 62 ALA 3.01 -0.60 1 63 GLN 3.65 -1.21 1 64 GLN 4.82 -1.38 1 65 ALA 3.61 -1.07 1 66 LEU 2.89 0.16 1 67 ASP 4.38 -1.16 1 68 LYS 3.74 -0.60 1 69 ALA 3.23 -1.00 1 70 ASN 1.61 0.41 1 71 ALA -0.62 0.26 1 72 ILE 1.77 -0.19 1 73 VAL -0.74 0.15 1 75 HIS 3.52 0.13 1 76 ASP 1.59 -0.85 1 77 HIS 5.82 -0.15 1 78 GLU 4.61 -0.62 1 79 GLN 3.25 -0.31 1 80 ALA 3.22 -0.45 1 81 VAL 6.02 -1.29 1 82 LYS 4.45 -0.60 1 83 ARG 3.38 -0.74 1 84 ALA 2.83 -0.68 1 85 GLN 4.02 -0.45 1 86 GLU 3.77 -0.87 1 87 ASP 4.37 -1.16 1 88 TYR 4.81 -0.35 1 89 ASN 4.56 -1.21 1 90 THR 5.96 -0.90 1 91 ALA 3.92 -1.07 1 92 TYR 5.06 -0.43 1 93 ASN 4.33 -0.51 1 94 GLU 2.96 -0.06 1 95 ALA 1.75 0.79 1 96 TYR 3.00 -0.33 1 97 ASN 4.24 -0.42 1 98 THR 6.11 -0.91 1 99 VAL 6.44 -1.81 1 100 ARG 6.19 -1.39 1 101 ASN 4.35 -1.00 1 102 ARG 2.44 1.29 1 103 TYR 4.76 -0.05 1 104 ILE 6.06 -0.95 1 105 GLN 5.13 -1.36 1 106 VAL 5.49 -1.29 1 107 LEU 3.70 -0.86 1 108 GLN 4.21 -0.23 1 109 GLN 4.95 -1.40 1 110 LYS 4.64 -1.34 1 111 TYR 3.97 -0.90 1 112 ILE 5.28 -1.18 1 113 GLU 3.86 -0.73 1 114 ALA 3.42 -0.92 1 115 ALA 3.50 -1.00 1 116 LYS 3.87 -0.48 1 117 ALA 3.38 -0.84 1 118 GLN 0.15 0.21 1 120 ASN -1.29 0.72 1 121 TYR -1.42 1.06 1 122 TYR -2.12 1.29 1 123 ASP -1.59 0.79 1 124 GLU 0.61 0.41 1 125 THR 1.35 -0.28 1 126 ALA 0.33 0.02 1 127 VAL 1.06 -0.24 1 128 GLU 0.45 0.10 1 129 ALA 0.48 0.18 1 130 ASN 0.20 0.10 1 131 ARG -0.60 0.66 1 132 THR -0.63 0.70 1 133 ASN 3.64 -0.61 1 134 GLU 6.01 -0.92 1 135 GLN 3.05 -0.50 1 136 ARG 4.40 -0.82 1 137 ILE 4.46 -0.56 1 138 ALA 4.00 -0.84 1 139 ASP 4.35 -1.08 1 140 ASP 4.27 -0.93 1 141 ILE 5.41 -1.92 1 142 LYS 4.60 -1.22 1 143 ALA 3.92 -0.68 1 144 GLN 1.38 1.03 1 147 LYS -1.74 1.05 1 148 ASP 0.40 0.17 1 149 VAL -5.51 2.34 1 150 THR -2.71 1.67 1 151 VAL -2.46 1.48 1 152 THR -3.89 2.14 1 153 LYS -1.03 0.89 1 154 ASP -2.85 0.79 1 155 GLU 2.88 -1.00 1 156 ASN -0.90 0.88 1 158 ASN -1.14 0.18 1 159 TYR -0.47 0.35 1 160 VAL 0.04 0.23 1 161 VAL -0.17 -0.76 1 163 ASP -2.45 0.24 1 164 GLU 2.98 -0.86 1 165 LYS -0.25 -0.44 1 167 ASN 0.22 -0.29 1 168 VAL 3.18 -1.26 1 169 VAL -0.17 0.34 1 170 ALA -3.20 2.84 1 171 THR -0.01 0.61 1 172 VAL -5.83 2.97 1 173 ASP -2.85 1.18 1 174 LYS 3.42 -1.07 1 175 ASP -0.65 0.71 1 177 LYS -0.25 -0.13 1 178 THR 2.37 -0.44 1 179 VAL -0.20 0.07 1 180 LYS -0.41 0.11 1 181 ALA -0.38 0.41 1 182 ASP -0.42 0.32 1 183 ALA -0.10 0.29 1 184 LYS 0.50 -0.21 1 185 ALA -0.93 0.73 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19866_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.90 _LACS_plot.Line_1_terminator_val_y_1 0.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _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 151 VAL -2.46 0.97 0 171 THR -0.01 0.80 0 162 LYS -5.90 1.25 0 18 SER 0.15 -0.05 1 19 ALA -0.06 0.04 1 20 SER 0.03 -0.04 1 21 ASN 0.67 -0.08 1 22 GLN 0.26 -0.04 1 23 LEU 0.89 -0.03 1 24 ILE 0.33 -0.05 1 25 GLN -0.09 -0.04 1 26 LYS -0.01 -0.10 1 27 LYS 0.07 -0.11 1 28 TYR -2.10 0.39 1 29 VAL -3.09 0.41 1 30 SER -5.34 0.51 1 31 TRP 4.95 -0.28 1 32 ARG 4.10 -0.60 1 33 ASP 2.98 -0.26 1 34 ALA 2.61 0.09 1 35 ALA 3.86 -0.40 1 36 ASP 4.08 -0.19 1 37 GLU 3.25 -0.31 1 38 ALA 2.80 -0.28 1 39 ASN 3.25 -0.34 1 40 THR 4.69 -0.19 1 41 GLN 2.20 -0.08 1 42 VAL 5.90 -0.32 1 43 ALA 2.83 0.00 1 44 ALA 1.58 0.01 1 45 HIS -0.06 0.28 1 46 GLU 3.58 -0.26 1 47 ALA 4.66 -0.17 1 48 GLU 3.88 -0.17 1 49 ILE 4.86 -0.79 1 50 LYS 5.77 -0.28 1 51 GLU 3.82 -0.25 1 52 GLU 3.55 -0.23 1 53 THR 9.47 -0.80 1 54 LEU 2.59 -0.18 1 55 ARG -0.63 0.08 1 59 VAL 5.45 -0.60 1 60 VAL 5.00 0.11 1 61 ALA 3.69 -0.07 1 62 ALA 3.01 0.07 1 63 GLN 3.65 -0.08 1 64 GLN 4.82 -0.10 1 65 ALA 3.61 -0.14 1 66 LEU 2.89 -0.29 1 67 ASP 4.38 -0.26 1 68 LYS 3.74 -0.27 1 69 ALA 3.23 -0.24 1 70 ASN 1.61 -0.48 1 71 ALA -0.62 0.04 1 72 ILE 1.77 -0.23 1 73 VAL -0.74 0.18 1 75 HIS 3.52 -0.33 1 76 ASP 1.59 0.07 1 77 HIS 5.82 -0.78 1 78 GLU 4.61 -0.49 1 79 GLN 3.25 -0.29 1 80 ALA 3.22 -0.24 1 81 VAL 6.02 -0.76 1 82 LYS 4.45 -0.29 1 83 ARG 3.38 -0.22 1 84 ALA 2.83 -0.02 1 85 GLN 4.02 -0.28 1 86 GLU 3.77 -0.16 1 87 ASP 4.37 -0.16 1 88 TYR 4.81 -0.60 1 89 ASN 4.56 -0.35 1 90 THR 5.96 -0.33 1 91 ALA 3.92 -0.24 1 92 TYR 5.06 -0.95 1 93 ASN 4.33 -0.29 1 94 GLU 2.96 -0.21 1 95 ALA 1.75 -0.14 1 96 TYR 3.00 -0.35 1 97 ASN 4.24 -0.49 1 98 THR 6.11 -0.41 1 99 VAL 6.44 -0.60 1 100 ARG 6.19 -0.72 1 101 ASN 4.35 -0.25 1 102 ARG 2.44 -0.05 1 103 TYR 4.76 -0.61 1 104 ILE 6.06 -0.64 1 105 GLN 5.13 -0.30 1 106 VAL 5.49 -0.48 1 107 LEU 3.70 -0.46 1 108 GLN 4.21 -0.53 1 109 GLN 4.95 -0.36 1 110 LYS 4.64 -0.30 1 111 TYR 3.97 -0.24 1 112 ILE 5.28 -0.75 1 113 GLU 3.86 -0.51 1 114 ALA 3.42 -0.12 1 115 ALA 3.50 -0.06 1 117 ALA 3.38 -0.11 1 118 GLN 0.15 -0.04 1 120 ASN -1.29 0.27 1 121 TYR -1.42 0.55 1 122 TYR -2.12 -0.18 1 123 ASP -1.59 -0.17 1 124 GLU 0.61 -0.25 1 125 THR 1.35 -0.10 1 126 ALA 0.33 0.00 1 127 VAL 1.06 -0.12 1 128 GLU 0.45 -0.13 1 129 ALA 0.48 -0.05 1 130 ASN 0.20 -0.05 1 131 ARG -0.60 0.21 1 132 THR -0.63 -0.01 1 133 ASN 3.64 -0.37 1 134 GLU 6.01 -0.84 1 135 GLN 3.05 -0.40 1 136 ARG 4.40 -0.36 1 137 ILE 4.46 -0.52 1 138 ALA 4.00 -0.63 1 139 ASP 4.35 -0.25 1 140 ASP 4.27 -0.15 1 141 ILE 5.41 -0.37 1 142 LYS 4.60 -0.03 1 143 ALA 3.92 -0.19 1 144 GLN 1.38 -0.06 1 145 THR -2.94 0.28 1 147 LYS -1.74 0.09 1 148 ASP 0.40 0.05 1 149 VAL -5.51 0.98 1 150 THR -2.71 0.22 1 152 THR -3.89 0.46 1 153 LYS -1.03 0.48 1 154 ASP -2.85 0.12 1 155 GLU 2.88 -0.24 1 156 ASN -0.90 0.09 1 158 ASN -1.14 0.02 1 159 TYR -0.47 0.36 1 160 VAL 0.04 0.26 1 161 VAL -0.17 0.63 1 163 ASP -2.45 0.19 1 164 GLU 2.98 -0.15 1 165 LYS -0.25 0.10 1 167 ASN 0.22 -0.08 1 168 VAL 3.18 -0.06 1 169 VAL -0.17 0.06 1 170 ALA -3.20 0.25 1 172 VAL -5.83 0.93 1 173 ASP -2.85 0.31 1 174 LYS 3.42 -0.27 1 175 ASP -0.65 0.14 1 177 LYS -0.25 0.10 1 178 THR 2.37 -0.02 1 179 VAL -0.20 0.07 1 180 LYS -0.41 0.04 1 181 ALA -0.38 0.00 1 182 ASP -0.42 -0.08 1 183 ALA -0.10 0.00 1 184 LYS 0.50 0.03 1 185 ALA -0.93 0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19866_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.90 _LACS_plot.Line_1_terminator_val_y_1 -2.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.54 _LACS_plot.Line_2_terminator_val_x_2 9.47 _LACS_plot.Line_2_terminator_val_y_2 3.77 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 53 THR 9.47 1.34 0 30 SER -5.34 1.45 0 15 GLU -0.72 -0.59 1 18 SER 0.15 -0.04 1 20 SER 0.03 0.03 1 21 ASN 0.67 0.08 1 22 GLN 0.26 -0.04 1 23 LEU 0.89 -0.38 1 24 ILE 0.33 -0.34 1 27 LYS 0.07 -0.93 1 28 TYR -2.10 -0.36 1 29 VAL -3.09 -2.22 1 32 ARG 4.10 1.90 1 33 ASP 2.98 2.12 1 34 ALA 2.61 0.94 1 35 ALA 3.86 2.32 1 36 ASP 4.08 2.75 1 37 GLU 3.25 2.47 1 38 ALA 2.80 0.96 1 39 ASN 3.25 2.31 1 40 THR 4.69 2.17 1 41 GLN 2.20 3.21 1 42 VAL 5.90 0.67 1 43 ALA 2.83 1.93 1 44 ALA 1.58 0.44 1 45 HIS -0.06 0.21 1 46 GLU 3.58 1.00 1 47 ALA 4.66 3.05 1 49 ILE 4.86 -0.27 1 50 LYS 5.77 1.46 1 51 GLU 3.82 2.45 1 52 GLU 3.55 3.70 1 55 ARG -0.63 1.09 1 56 GLN 1.75 1.39 1 59 VAL 5.45 0.80 1 61 ALA 3.69 3.09 1 63 GLN 3.65 1.69 1 65 ALA 3.61 2.77 1 66 LEU 2.89 0.36 1 67 ASP 4.38 3.57 1 68 LYS 3.74 2.66 1 69 ALA 3.23 1.18 1 70 ASN 1.61 0.88 1 71 ALA -0.62 0.03 1 72 ILE 1.77 0.22 1 73 VAL -0.74 0.26 1 76 ASP 1.59 -0.34 1 77 HIS 5.82 1.05 1 78 GLU 4.61 2.50 1 79 GLN 3.25 2.15 1 80 ALA 3.22 3.46 1 81 VAL 6.02 0.64 1 82 LYS 4.45 2.98 1 83 ARG 3.38 1.78 1 85 GLN 4.02 2.31 1 86 GLU 3.77 3.11 1 87 ASP 4.37 3.03 1 88 TYR 4.81 0.07 1 90 THR 5.96 1.36 1 91 ALA 3.92 2.71 1 92 TYR 5.06 0.59 1 93 ASN 4.33 2.85 1 94 GLU 2.96 2.48 1 95 ALA 1.75 0.32 1 96 TYR 3.00 1.65 1 97 ASN 4.24 2.40 1 98 THR 6.11 2.15 1 99 VAL 6.44 1.94 1 100 ARG 6.19 1.77 1 101 ASN 4.35 3.05 1 107 LEU 3.70 1.90 1 111 TYR 3.97 2.99 1 112 ILE 5.28 1.13 1 113 GLU 3.86 3.11 1 114 ALA 3.42 1.91 1 116 LYS 3.87 2.65 1 117 ALA 3.38 1.55 1 118 GLN 0.15 0.53 1 120 ASN -1.29 -1.44 1 121 TYR -1.42 -0.98 1 122 TYR -2.12 -3.30 1 123 ASP -1.59 -0.56 1 124 GLU 0.61 0.25 1 125 THR 1.35 0.11 1 126 ALA 0.33 0.09 1 127 VAL 1.06 0.51 1 128 GLU 0.45 0.11 1 129 ALA 0.48 -0.11 1 130 ASN 0.20 -0.03 1 131 ARG -0.60 0.69 1 132 THR -0.63 0.86 1 133 ASN 3.64 1.49 1 134 GLU 6.01 1.75 1 135 GLN 3.05 1.56 1 136 ARG 4.40 2.46 1 137 ILE 4.46 1.54 1 138 ALA 4.00 2.36 1 139 ASP 4.35 3.07 1 140 ASP 4.27 2.59 1 141 ILE 5.41 4.08 1 142 LYS 4.60 3.18 1 143 ALA 3.92 1.95 1 144 GLN 1.38 2.12 1 145 THR -2.94 1.42 1 147 LYS -1.74 -2.00 1 148 ASP 0.40 -0.24 1 149 VAL -5.51 -0.58 1 150 THR -2.71 -1.05 1 151 VAL -2.46 -1.38 1 152 THR -3.89 -1.73 1 153 LYS -1.03 0.36 1 154 ASP -2.85 2.07 1 155 GLU 2.88 0.39 1 156 ASN -0.90 0.11 1 158 ASN -1.14 -2.23 1 159 TYR -0.47 -1.32 1 160 VAL 0.04 -1.13 1 161 VAL -0.17 -0.74 1 162 LYS -5.90 -0.63 1 163 ASP -2.45 2.23 1 164 GLU 2.98 0.79 1 165 LYS -0.25 0.14 1 167 ASN 0.22 0.13 1 168 VAL 3.18 0.62 1 169 VAL -0.17 -0.36 1 170 ALA -3.20 -3.01 1 171 THR -0.01 -0.85 1 172 VAL -5.83 -1.72 1 173 ASP -2.85 1.57 1 174 LYS 3.42 -0.22 1 175 ASP -0.65 0.51 1 177 LYS -0.25 -0.05 1 178 THR 2.37 -0.08 1 179 VAL -0.20 -0.67 1 180 LYS -0.41 -0.75 1 181 ALA -0.38 -0.63 1 182 ASP -0.42 -0.36 1 183 ALA -0.10 -0.20 1 184 LYS 0.50 -0.38 1 185 ALA -0.93 -0.77 1 stop_ save_