#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t9o s LYS 102 N 0.00 4.29 0.39 0.03 1.02 -1.26 -4.89 119.74 119.32 1t9o s LYS 102 Ca 0.00 0.89 -0.23 0.00 0.02 0.00 0.00 55.97 56.65 1t9o s LYS 102 Cb 0.00 -2.99 -0.11 0.00 -0.52 0.00 0.00 37.83 34.22 1t9o s LYS 102 CO 0.00 0.46 0.94 0.15 -0.92 0.00 0.00 175.35 175.98 1t9o s LYS 103 N -1.74 4.36 0.07 1.68 1.02 -1.26 -4.61 119.74 119.26 1t9o s LYS 103 Ca 0.40 1.19 0.08 0.00 0.02 0.00 0.00 55.97 57.66 1t9o s LYS 103 Cb -0.18 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1t9o s LYS 103 CO 0.22 0.09 -0.20 0.71 -0.92 0.00 0.00 175.35 175.24 1t9o s TYR 104 N -1.96 1.76 -0.04 3.18 1.51 -0.65 -1.47 117.35 119.68 1t9o s TYR 104 Ca 0.57 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 1t9o s TYR 104 Cb -0.13 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 1t9o s TYR 104 CO 0.17 0.14 -0.21 -0.08 -1.11 0.00 0.00 175.55 174.46 1t9o s THR 105 N -0.97 1.75 -0.06 -0.71 -1.32 0.15 0.76 115.64 115.24 1t9o s THR 105 Ca 0.07 -0.91 -0.30 0.00 -1.21 0.00 0.00 61.69 59.34 1t9o s THR 105 Cb -0.09 -1.48 -0.03 0.00 -1.51 0.00 0.00 72.50 69.39 1t9o s THR 105 CO 0.03 0.49 1.17 0.00 -2.21 0.00 0.00 174.62 174.11 1t9o n THR 107 N 4.62 0.68 -0.03 0.00 -2.24 -0.06 -0.92 114.28 116.33 1t9o n THR 107 Ca 0.11 0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.76 1t9o n THR 107 Cb 0.46 -0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 67.69 1t9o n THR 107 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t9o h VAL 108 N 0.00 0.96 0.00 2.28 2.07 -1.92 -3.43 116.25 116.21 1t9o h VAL 108 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1t9o h VAL 108 Cb 0.44 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1t9o h VAL 108 CO 0.00 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.22 1t9o n GLY 110 N 0.41 0.82 3.67 0.00 0.00 -0.10 -5.02 105.19 104.98 1t9o n GLY 110 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1t9o n GLY 110 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1t9o n TYR 111 N -2.09 2.17 -3.82 1.61 9.36 -1.26 -4.63 117.16 118.51 1t9o n TYR 111 Ca 0.00 0.42 -0.36 0.00 3.32 0.00 0.00 57.90 61.27 1t9o n TYR 111 Cb 0.00 -2.47 -0.12 0.00 -0.63 0.00 0.00 39.34 36.13 1t9o n TYR 111 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1t9o s ILE 112 N 0.06 4.56 -0.26 2.97 1.01 -1.26 -0.82 121.20 127.46 1t9o s ILE 112 Ca 0.70 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 61.00 1t9o s ILE 112 Cb -0.66 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 1t9o s ILE 112 CO 0.48 0.36 0.87 -0.47 0.00 0.00 0.00 174.94 176.18 1t9o s TYR 113 N 1.29 3.28 -0.30 3.97 5.04 0.23 -4.96 117.35 125.91 1t9o s TYR 113 Ca 0.05 1.14 -0.06 0.00 -2.44 0.00 0.00 57.07 55.76 1t9o s TYR 113 Cb -0.15 -3.16 0.02 0.00 0.35 0.00 0.00 41.96 39.03 1t9o s TYR 113 CO 0.04 -0.47 0.07 1.21 -1.34 0.00 0.00 175.55 175.07 1t9o s ASN 114 N 1.39 5.09 0.52 4.32 3.04 -1.26 -1.64 114.94 126.39 1t9o s ASN 114 Ca 0.37 -0.84 0.17 0.00 0.04 0.00 0.00 52.86 52.60 1t9o s ASN 114 Cb -0.15 -1.85 1.28 0.00 -1.54 0.00 0.00 41.25 38.99 1t9o s ASN 114 CO 0.09 -0.22 2.13 -0.65 -3.04 0.00 0.00 177.10 175.41 1t9o h PRO 115 N 8.20 0.00 -0.56 0.43 0.11 -1.81 -0.44 132.00 137.93 1t9o h PRO 115 Ca -0.29 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1t9o h PRO 115 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1t9o h PRO 115 CO 0.60 0.03 0.05 1.49 -0.21 0.00 0.00 178.00 179.96 1t9o h GLU 116 N 0.00 0.93 0.00 1.05 4.81 -1.92 0.18 114.58 119.63 1t9o h GLU 116 Ca -0.00 -0.25 -0.22 0.00 -0.13 0.00 0.00 59.36 58.76 1t9o h GLU 116 Cb 0.06 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1t9o h GLU 116 CO 0.00 0.89 -1.67 -0.25 -0.73 0.00 0.00 179.01 177.25 1t9o n ASP 117 N -4.21 0.68 0.00 1.04 10.43 -0.41 -3.73 116.55 120.34 1t9o n ASP 117 Ca 0.03 0.31 0.00 0.00 2.57 0.00 0.00 54.79 57.70 1t9o n ASP 117 Cb 0.30 0.35 0.00 0.00 1.84 0.00 0.00 41.12 43.60 1t9o n ASP 117 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1t9o n GLY 118 N 1.48 0.74 2.31 0.44 0.00 -0.31 -4.04 105.19 105.81 1t9o n GLY 118 Ca -0.15 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 1t9o n GLY 118 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t9o n ASP 119 N -2.57 -0.46 -0.09 1.61 2.03 0.12 -4.72 116.55 112.47 1t9o n ASP 119 Ca 0.00 -2.73 0.05 0.00 0.52 0.00 0.00 54.79 52.62 1t9o n ASP 119 Cb 0.00 -0.22 0.38 0.00 -0.72 0.00 0.00 41.12 40.56 1t9o n ASP 119 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1t9o h PRO 120 N 4.28 0.65 0.00 -0.67 0.11 -1.62 -1.88 132.00 132.88 1t9o h PRO 120 Ca 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1t9o h PRO 120 Cb 0.91 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1t9o h PRO 120 CO 0.41 0.43 0.00 -0.25 -0.21 0.00 0.00 178.00 178.39 1t9o n ASP 121 N -4.46 0.16 -0.44 -2.05 10.43 -1.26 -1.67 116.55 117.26 1t9o n ASP 121 Ca 0.06 0.53 0.09 0.00 2.57 0.00 0.00 54.79 58.04 1t9o n ASP 121 Cb 0.12 -0.57 0.19 0.00 1.84 0.00 0.00 41.12 42.70 1t9o n ASP 121 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1t9o n ASN 122 N -1.67 3.02 0.00 -2.24 3.02 -0.86 -4.99 115.26 111.54 1t9o n ASN 122 Ca 0.04 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 1t9o n ASN 122 Cb 0.24 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1t9o n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t9o n GLY 123 N -0.97 0.44 3.29 7.41 0.00 -0.67 -5.03 105.19 109.65 1t9o n GLY 123 Ca 0.18 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1t9o n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t9o s VAL 124 N -2.00 4.01 0.66 1.61 1.01 -0.76 -4.96 120.40 119.97 1t9o s VAL 124 Ca 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 1t9o s VAL 124 Cb 0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1t9o s VAL 124 CO 0.00 -0.28 1.08 0.20 0.00 0.00 0.00 175.10 176.09 1t9o s ASN 125 N 1.61 5.30 0.21 3.32 -0.87 -1.26 -0.70 114.94 122.55 1t9o s ASN 125 Ca 0.00 1.82 -0.31 0.00 -1.57 0.00 0.00 52.86 52.81 1t9o s ASN 125 Cb -0.20 -2.53 -0.15 0.00 -0.02 0.00 0.00 41.25 38.34 1t9o s ASN 125 CO 0.03 -1.50 1.02 -2.65 -2.57 0.00 0.00 177.10 171.44 1t9o n PRO 126 N -2.62 1.03 -0.64 -0.60 -0.02 -1.26 -2.81 135.00 128.08 1t9o n PRO 126 Ca 0.09 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1t9o n PRO 126 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1t9o n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t9o n GLY 127 N 1.73 0.73 3.73 -1.23 0.00 0.63 -4.93 105.19 105.85 1t9o n GLY 127 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1t9o n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t9o s THR 128 N -2.44 5.15 0.41 2.61 -4.23 -1.12 -4.94 115.64 111.07 1t9o s THR 128 Ca 0.00 1.00 -0.26 0.00 -1.18 0.00 0.00 61.69 61.25 1t9o s THR 128 Cb 0.00 -3.83 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 1t9o s THR 128 CO 0.00 0.34 1.28 -0.62 -0.54 0.00 0.00 174.62 175.09 1t9o s ASP 129 N 0.47 6.30 0.29 3.99 3.68 -1.26 -4.59 116.67 125.54 1t9o s ASP 129 Ca 0.27 2.60 0.03 0.00 2.13 0.00 0.00 52.55 57.58 1t9o s ASP 129 Cb -0.16 -2.63 0.62 0.00 -1.45 0.00 0.00 42.92 39.30 1t9o s ASP 129 CO 0.11 -0.85 1.81 0.15 0.13 0.00 0.00 175.17 176.52 1t9o h PHE 130 N 2.61 1.09 0.00 -5.34 3.57 -1.96 -0.90 116.94 116.01 1t9o h PHE 130 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1t9o h PHE 130 Cb 1.25 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1t9o h PHE 130 CO 0.53 0.35 0.00 1.57 -2.23 0.00 0.00 178.31 178.54 1t9o h LYS 131 N 0.89 0.00 -0.01 1.11 2.10 -1.98 -1.97 116.57 116.71 1t9o h LYS 131 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 1t9o h LYS 131 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1t9o h LYS 131 CO -0.32 0.00 -0.50 -0.25 -2.00 0.00 0.00 179.45 176.38 1t9o n ASP 132 N -3.02 1.46 -4.72 7.07 8.00 -0.36 -4.92 116.55 120.06 1t9o n ASP 132 Ca -0.02 -1.16 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 1t9o n ASP 132 Cb 0.15 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 1t9o n ASP 132 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1t9o s ILE 133 N -2.61 2.13 0.24 0.53 1.01 -0.74 -4.93 121.20 116.83 1t9o s ILE 133 Ca 0.18 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.62 1t9o s ILE 133 Cb 0.18 -3.06 -0.14 0.00 0.01 0.00 0.00 42.46 39.45 1t9o s ILE 133 CO 0.62 0.01 1.28 -0.81 0.00 0.00 0.00 174.94 176.04 1t9o n PRO 134 N 3.72 1.76 0.00 2.79 -0.04 -1.26 -4.86 135.00 137.10 1t9o n PRO 134 Ca 0.14 0.62 0.06 0.00 -0.04 0.00 0.00 63.50 64.28 1t9o n PRO 134 Cb 0.36 -2.20 0.29 0.00 -0.04 0.00 0.00 33.50 31.91 1t9o n PRO 134 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1t9o n ASP 135 N 1.81 0.00 -0.72 3.54 8.00 -1.26 -1.26 116.55 126.67 1t9o n ASP 135 Ca 0.11 0.10 0.13 0.00 0.71 0.00 0.00 54.79 55.84 1t9o n ASP 135 Cb 0.31 -0.27 0.31 0.00 -0.02 0.00 0.00 41.12 41.45 1t9o n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t9o n ASP 136 N -1.27 2.25 -4.77 -2.24 5.75 -1.26 -4.79 116.55 110.22 1t9o n ASP 136 Ca 0.05 -1.75 -0.39 0.00 -0.01 0.00 0.00 54.79 52.70 1t9o n ASP 136 Cb 0.09 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1t9o n ASP 136 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1t9o s TRP 137 N -2.00 3.04 0.19 2.11 -0.00 -0.39 -5.05 118.94 116.85 1t9o s TRP 137 Ca 0.33 1.52 0.07 0.00 -0.00 0.00 0.00 56.10 58.03 1t9o s TRP 137 Cb 0.20 -3.46 -0.05 0.00 -0.00 0.00 0.00 33.47 30.17 1t9o s TRP 137 CO 0.32 -1.47 -0.14 0.14 -0.00 0.00 0.00 176.95 175.80 1t9o s VAL 138 N -1.35 1.64 0.04 5.86 -7.23 -1.26 -3.98 120.40 114.11 1t9o s VAL 138 Ca 0.56 -2.18 -0.34 0.00 -1.81 0.00 0.00 61.98 58.20 1t9o s VAL 138 Cb -0.33 -2.01 -0.13 0.00 0.56 0.00 0.00 36.38 34.48 1t9o s VAL 138 CO 0.42 -0.62 1.71 0.00 -0.31 0.00 0.00 175.10 176.29 1t9o n PRO 140 N 4.87 0.11 -0.12 0.00 -0.04 -1.26 -1.16 135.00 137.40 1t9o n PRO 140 Ca 0.20 0.35 -0.26 0.00 -0.04 0.00 0.00 63.50 63.75 1t9o n PRO 140 Cb 0.28 -1.71 -0.11 0.00 -0.04 0.00 0.00 33.50 31.92 1t9o n PRO 140 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t9o n LEU 141 N -1.91 2.08 -0.14 1.53 4.77 -1.26 -4.76 117.00 117.30 1t9o n LEU 141 Ca 0.03 0.30 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1t9o n LEU 141 Cb 0.20 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.39 1t9o n LEU 141 CO 0.17 0.55 0.14 0.00 -1.33 0.00 0.00 177.39 176.92 1t9o n GLY 143 N 0.94 0.66 3.76 0.00 0.00 -0.31 -4.99 105.19 105.25 1t9o n GLY 143 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1t9o n GLY 143 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t9o s GLY 144 N -1.97 3.04 1.18 -0.02 0.00 -1.26 -4.57 107.32 103.73 1t9o s GLY 144 Ca 0.00 0.90 -0.18 0.00 0.00 0.00 0.00 44.72 45.44 1t9o s GLY 144 CO 0.00 1.53 1.08 -0.32 0.00 0.00 0.00 173.10 175.39 1t9o s GLY 145 N -0.80 1.55 0.58 0.20 0.00 -1.26 -0.26 107.32 107.34 1t9o s GLY 145 Ca 0.45 -0.76 0.28 0.00 0.00 0.00 0.00 44.72 44.70 1t9o s GLY 145 CO 0.41 0.07 2.18 0.50 0.00 0.00 0.00 173.10 176.27 1t9o h LYS 146 N -2.54 0.00 0.00 2.90 1.57 -1.87 -1.38 116.57 115.25 1t9o h LYS 146 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1t9o h LYS 146 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1t9o h LYS 146 CO 0.40 0.00 0.00 0.38 -0.57 0.00 0.00 179.45 179.66 1t9o h ASP 147 N 0.00 0.00 0.02 0.86 3.04 -1.95 -2.22 116.42 116.17 1t9o h ASP 147 Ca 0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 1t9o h ASP 147 Cb 0.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 1t9o h ASP 147 CO -0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 179.24 177.18 1t9o n GLN 148 N -2.75 1.45 -3.81 4.15 1.13 -0.52 -4.92 117.38 112.11 1t9o n GLN 148 Ca -0.01 -0.72 -0.31 0.00 -1.94 0.00 0.00 57.00 54.01 1t9o n GLN 148 Cb 0.13 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 28.96 1t9o n GLN 148 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1t9o s PHE 149 N -2.05 3.50 -0.02 1.08 0.40 -0.84 -0.88 117.98 119.17 1t9o s PHE 149 Ca 0.39 0.38 0.02 0.00 -0.60 0.00 0.00 56.93 57.12 1t9o s PHE 149 Cb 0.21 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.88 1t9o s PHE 149 CO 0.36 0.52 -0.06 -2.00 0.70 0.00 0.00 175.22 174.74 1t9o s GLU 150 N -2.59 0.67 0.20 0.44 2.12 0.45 -4.93 118.70 115.07 1t9o s GLU 150 Ca 0.38 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.22 1t9o s GLU 150 Cb -0.13 -0.66 -0.09 0.00 0.26 0.00 0.00 34.13 33.51 1t9o s GLU 150 CO 0.27 0.05 1.32 -1.83 -0.54 0.00 0.00 175.26 174.53 1t9o s GLU 151 N 0.29 4.38 -0.09 4.30 -1.05 -1.26 0.32 118.70 125.60 1t9o s GLU 151 Ca -0.04 2.07 -0.13 0.00 -0.15 0.00 0.00 54.97 56.72 1t9o s GLU 151 Cb -0.08 -3.19 -0.05 0.00 -0.44 0.00 0.00 34.13 30.38 1t9o s GLU 151 CO -0.00 -0.26 0.33 0.54 0.95 0.00 0.00 175.26 176.82 1t9o s VAL 152 N 0.08 5.22 0.00 1.83 0.11 -0.54 -4.84 120.40 122.25 1t9o s VAL 152 Ca 0.57 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 1t9o s VAL 152 Cb -0.37 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 1t9o s VAL 152 CO 0.39 0.50 0.00 -0.62 -3.33 0.00 0.00 175.10 172.03