#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi8 s PHE 96 N 0.00 2.71 -0.66 5.64 5.36 -1.26 -4.99 117.98 124.78 1fi8 s PHE 96 Ca 0.00 -0.26 -0.23 0.00 -0.96 0.00 0.00 56.93 55.48 1fi8 s PHE 96 Cb 0.00 -4.19 0.06 0.00 -0.34 0.00 0.00 43.02 38.55 1fi8 s PHE 96 CO 0.00 -1.52 1.00 0.14 -1.46 0.00 0.00 175.22 173.38 1fi8 s VAL 97 N 4.08 4.25 0.53 3.12 -7.23 -1.26 -5.02 120.40 118.87 1fi8 s VAL 97 Ca 0.27 -0.23 -0.12 0.00 -1.81 0.00 0.00 61.98 60.09 1fi8 s VAL 97 Cb -0.14 -4.71 -0.06 0.00 0.56 0.00 0.00 36.38 32.04 1fi8 s VAL 97 CO 0.15 -1.49 0.93 0.42 -0.31 0.00 0.00 175.10 174.80 1fi8 s THR 98 N 4.26 4.70 0.05 5.32 -4.23 -1.26 -5.08 115.64 119.41 1fi8 s THR 98 Ca 0.24 0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 61.57 1fi8 s THR 98 Cb -0.16 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 1fi8 s THR 98 CO 0.11 -0.85 0.22 0.00 -0.54 0.00 0.00 174.62 173.57 1fi8 s ALA 99 N -2.79 3.98 -0.42 3.99 0.00 -1.26 -5.05 121.76 120.20 1fi8 s ALA 99 Ca 0.54 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 1fi8 s ALA 99 Cb -0.10 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.17 1fi8 s ALA 99 CO 0.41 0.79 1.13 -0.47 0.00 0.00 0.00 175.76 177.63 1fi8 s TYR 100 N -1.48 2.90 -0.13 0.00 5.04 -1.26 -4.87 117.35 117.54 1fi8 s TYR 100 Ca 0.34 0.87 0.19 0.00 -2.44 0.00 0.00 57.07 56.02 1fi8 s TYR 100 Cb -0.13 -4.19 -0.16 0.00 0.35 0.00 0.00 41.96 37.82 1fi8 s TYR 100 CO 0.26 -1.15 0.70 1.28 -1.34 0.00 0.00 175.55 175.30 1fi8 n LEU 101 N 7.57 0.62 0.00 6.97 4.77 -1.26 -5.07 117.00 130.59 1fi8 n LEU 101 Ca 0.12 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1fi8 n LEU 101 Cb 0.48 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1fi8 n LEU 101 CO 0.68 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1fi8 n GLY 102 N 1.39 0.18 0.14 -0.72 0.00 -1.26 -3.77 105.19 101.16 1fi8 n GLY 102 Ca -0.11 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1fi8 n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fi8 h ASP 103 N 7.00 0.00 0.21 1.61 3.32 -1.97 -2.93 116.42 123.66 1fi8 h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fi8 h ASP 103 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1fi8 h ASP 103 CO 0.00 0.58 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 1fi8 n ALA 104 N -2.34 1.58 1.08 3.45 0.00 -1.25 -1.67 120.51 121.37 1fi8 n ALA 104 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1fi8 n ALA 104 Cb 0.65 -1.16 0.25 0.00 0.00 0.00 0.00 19.45 19.19 1fi8 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fi8 n GLY 105 N -0.48 -0.97 3.35 0.00 0.00 -1.11 -4.74 105.19 101.24 1fi8 n GLY 105 Ca 0.04 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1fi8 n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fi8 s MET 106 N -2.82 3.02 0.24 1.61 1.00 -0.67 -5.05 119.30 116.64 1fi8 s MET 106 Ca 0.15 -0.91 0.08 0.00 0.00 0.00 0.00 55.69 55.01 1fi8 s MET 106 Cb 0.18 -3.45 -0.04 0.00 0.00 0.00 0.00 34.83 31.52 1fi8 s MET 106 CO 0.65 -0.50 0.09 -0.51 0.00 0.00 0.00 175.02 174.75 1fi8 s LEU 107 N 1.51 3.50 0.33 -0.03 1.43 -1.26 -5.03 118.68 119.13 1fi8 s LEU 107 Ca 0.02 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 1fi8 s LEU 107 Cb -0.18 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 1fi8 s LEU 107 CO 0.03 0.00 1.21 -0.60 0.23 0.00 0.00 176.35 177.23 1fi8 s ARG 108 N -3.58 4.39 -0.56 1.70 3.52 -1.26 -4.95 118.95 118.21 1fi8 s ARG 108 Ca 0.31 2.00 -0.26 0.00 -0.13 0.00 0.00 55.73 57.65 1fi8 s ARG 108 Cb -0.08 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.31 1fi8 s ARG 108 CO 0.22 -0.08 1.06 -0.47 -0.81 0.00 0.00 175.30 175.22 1fi8 s TYR 109 N -1.20 2.72 -0.38 5.12 6.14 -1.26 -4.95 117.35 123.54 1fi8 s TYR 109 Ca 0.49 0.22 0.00 0.00 0.64 0.00 0.00 57.07 58.43 1fi8 s TYR 109 Cb -0.35 -4.27 0.13 0.00 0.42 0.00 0.00 41.96 37.88 1fi8 s TYR 109 CO 0.46 -1.44 0.20 1.21 0.64 0.00 0.00 175.55 176.62 1fi8 s ASN 110 N 2.84 3.46 0.00 4.32 2.47 -1.26 -4.99 114.94 121.78 1fi8 s ASN 110 Ca 0.37 -2.21 0.07 0.00 0.42 0.00 0.00 52.86 51.51 1fi8 s ASN 110 Cb -0.10 -0.73 0.31 0.00 -1.45 0.00 0.00 41.25 39.28 1fi8 s ASN 110 CO 0.23 -0.32 1.18 -1.54 -3.72 0.00 0.00 177.10 172.92 1fi8 n SER 111 N 4.06 0.00 0.09 -4.21 3.41 -1.26 -2.49 113.62 113.22 1fi8 n SER 111 Ca 0.07 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1fi8 n SER 111 Cb 0.37 -0.43 0.45 0.00 -0.26 0.00 0.00 64.21 64.34 1fi8 n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fi8 n LYS 112 N -1.43 0.18 -3.97 4.33 5.02 -1.26 -4.78 118.16 116.25 1fi8 n LYS 112 Ca 0.02 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.49 1fi8 n LYS 112 Cb 0.07 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 1fi8 n LYS 112 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fi8 s LEU 113 N -4.18 2.22 0.58 -0.35 1.43 -1.04 -5.16 118.68 112.18 1fi8 s LEU 113 Ca 0.08 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1fi8 s LEU 113 Cb 0.12 0.10 -0.02 0.00 0.03 0.00 0.00 46.19 46.42 1fi8 s LEU 113 CO 0.49 -0.29 0.92 -2.16 0.23 0.00 0.00 176.35 175.54 1fi8 s PRO 114 N -1.41 3.30 -0.22 1.29 0.04 -1.26 -4.86 135.00 131.87 1fi8 s PRO 114 Ca -0.15 0.32 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 1fi8 s PRO 114 Cb -0.10 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1fi8 s PRO 114 CO -0.01 -0.55 0.05 0.42 0.04 0.00 0.00 177.00 176.95 1fi8 s ILE 115 N -3.01 4.28 -0.12 0.56 1.01 -1.26 -5.08 121.20 117.58 1fi8 s ILE 115 Ca 0.53 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1fi8 s ILE 115 Cb -0.11 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1fi8 s ILE 115 CO 0.48 0.39 -0.14 -0.69 0.00 0.00 0.00 174.94 174.98 1fi8 s VAL 116 N 1.20 2.95 -0.04 2.92 1.01 -1.26 -5.11 120.40 122.07 1fi8 s VAL 116 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1fi8 s VAL 116 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1fi8 s VAL 116 CO 0.03 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 1fi8 s VAL 117 N 0.28 0.57 -0.23 2.92 1.01 -1.26 -5.12 120.40 118.57 1fi8 s VAL 117 Ca -0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1fi8 s VAL 117 Cb -0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1fi8 s VAL 117 CO 0.06 0.22 0.10 -0.31 0.00 0.00 0.00 175.10 175.17 1fi8 s TYR 118 N 0.70 3.22 0.05 5.22 1.51 -1.26 -5.09 117.35 121.69 1fi8 s TYR 118 Ca -0.10 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 1fi8 s TYR 118 Cb -0.13 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 1fi8 s TYR 118 CO 0.00 -0.04 -0.05 0.95 -1.11 0.00 0.00 175.55 175.31 1fi8 s THR 119 N 1.04 0.33 0.69 -0.71 -4.23 -1.26 -5.14 115.64 106.36 1fi8 s THR 119 Ca 0.05 -1.38 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 1fi8 s THR 119 Cb -0.14 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 1fi8 s THR 119 CO 0.04 -0.68 0.62 -2.65 -0.54 0.00 0.00 174.62 171.40 1fi8 n PRO 120 N 0.86 0.40 0.17 3.99 -0.02 -1.26 -4.79 135.00 134.36 1fi8 n PRO 120 Ca -0.19 0.18 0.19 0.00 -2.02 0.00 0.00 63.50 61.65 1fi8 n PRO 120 Cb 0.58 -1.88 0.79 0.00 -0.02 0.00 0.00 33.50 32.97 1fi8 n PRO 120 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1fi8 h ASP 121 N -0.19 0.00 -0.64 2.55 3.32 -2.05 0.56 116.42 119.96 1fi8 h ASP 121 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1fi8 h ASP 121 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1fi8 h ASP 121 CO 0.44 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.50 1fi8 n ASN 122 N -3.57 4.65 -4.23 6.45 0.23 -1.26 -4.90 115.26 112.64 1fi8 n ASN 122 Ca 0.04 -2.42 -0.32 0.00 -0.53 0.00 0.00 54.58 51.35 1fi8 n ASN 122 Cb 0.48 -0.57 -0.17 0.00 -2.08 0.00 0.00 39.78 37.44 1fi8 n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1fi8 s VAL 123 N -1.82 2.07 0.29 3.53 1.01 0.19 -5.13 120.40 120.54 1fi8 s VAL 123 Ca 0.50 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1fi8 s VAL 123 Cb 0.32 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1fi8 s VAL 123 CO 0.25 0.56 0.27 -1.81 0.00 0.00 0.00 175.10 174.37 1fi8 s ASP 124 N 0.25 5.54 -0.10 3.32 1.01 -1.26 -4.63 116.67 120.81 1fi8 s ASP 124 Ca -0.16 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 52.79 1fi8 s ASP 124 Cb -0.17 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.52 1fi8 s ASP 124 CO 0.08 -0.19 -0.09 -0.69 0.21 0.00 0.00 175.17 174.49 1fi8 s VAL 125 N -2.19 1.02 0.50 -1.27 1.01 -1.26 -5.11 120.40 113.10 1fi8 s VAL 125 Ca 0.37 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1fi8 s VAL 125 Cb -0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1fi8 s VAL 125 CO 0.26 0.36 0.03 -0.54 0.00 0.00 0.00 175.10 175.21 1fi8 s LYS 126 N 1.42 2.16 -0.20 2.72 1.02 -1.26 -5.17 119.74 120.43 1fi8 s LYS 126 Ca -0.00 -2.37 -0.28 0.00 0.02 0.00 0.00 55.97 53.33 1fi8 s LYS 126 Cb -0.13 -1.34 0.12 0.00 -0.52 0.00 0.00 37.83 35.95 1fi8 s LYS 126 CO -0.05 -0.40 0.98 1.52 -0.92 0.00 0.00 175.35 176.48 1fi8 s TYR 127 N -2.94 -0.44 0.07 3.18 1.13 -1.26 -5.17 117.35 111.92 1fi8 s TYR 127 Ca 0.08 0.91 0.05 0.00 -1.41 0.00 0.00 57.07 56.70 1fi8 s TYR 127 Cb 0.01 0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 1fi8 s TYR 127 CO 0.05 -0.32 -0.13 -0.98 -2.51 0.00 0.00 175.55 171.65 1fi8 s ARG 128 N -0.55 0.80 0.17 -3.49 1.70 -1.26 -5.15 118.95 111.17 1fi8 s ARG 128 Ca -0.01 -0.96 -0.10 0.00 -0.47 0.00 0.00 55.73 54.19 1fi8 s ARG 128 Cb -0.02 -0.76 -0.07 0.00 -0.57 0.00 0.00 34.95 33.53 1fi8 s ARG 128 CO -0.01 0.16 0.50 0.08 -1.08 0.00 0.00 175.30 174.96 1fi8 s VAL 129 N -1.37 4.96 -0.12 4.99 1.01 -1.26 -5.08 120.40 123.53 1fi8 s VAL 129 Ca -0.02 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1fi8 s VAL 129 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1fi8 s VAL 129 CO 0.02 0.09 -0.22 0.26 0.00 0.00 0.00 175.10 175.25 1fi8 s TRP 130 N -1.63 2.63 -0.06 5.22 0.52 -1.26 -5.12 118.94 119.24 1fi8 s TRP 130 Ca 0.41 -1.19 0.03 0.00 0.02 0.00 0.00 56.10 55.37 1fi8 s TRP 130 Cb -0.13 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.40 1fi8 s TRP 130 CO 0.20 -0.52 -0.16 0.21 0.02 0.00 0.00 176.95 176.71 1fi8 s LYS 131 N 0.60 2.63 0.42 4.98 2.20 -1.26 -5.10 119.74 124.21 1fi8 s LYS 131 Ca -0.12 -0.73 -0.24 0.00 -0.36 0.00 0.00 55.97 54.52 1fi8 s LYS 131 Cb -0.17 -2.38 -0.08 0.00 -1.51 0.00 0.00 37.83 33.69 1fi8 s LYS 131 CO 0.03 0.53 1.09 0.00 -0.36 0.00 0.00 175.35 176.64 1fi8 s ALA 132 N -0.49 3.04 0.32 3.13 0.00 -1.26 -5.03 121.76 121.47 1fi8 s ALA 132 Ca 0.06 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1fi8 s ALA 132 Cb -0.12 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1fi8 s ALA 132 CO 0.02 -0.38 0.73 -1.21 0.00 0.00 0.00 175.76 174.92 1fi8 s GLU 133 N -2.58 4.00 0.12 0.00 2.02 -1.26 -5.01 118.70 115.98 1fi8 s GLU 133 Ca 0.60 0.66 -0.28 0.00 0.02 0.00 0.00 54.97 55.96 1fi8 s GLU 133 Cb -0.24 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.47 1fi8 s GLU 133 CO 0.30 0.16 1.62 1.05 0.02 0.00 0.00 175.26 178.41 1fi8 h GLU 134 N 2.26 -0.52 -6.88 1.61 -0.00 -2.09 -3.44 114.58 105.53 1fi8 h GLU 134 Ca -0.48 0.04 -0.57 0.00 -0.00 0.00 0.00 59.36 58.35 1fi8 h GLU 134 Cb 1.17 0.12 0.15 0.00 -0.00 0.00 0.00 28.75 30.19 1fi8 h GLU 134 CO 0.65 -0.35 0.28 0.36 -0.00 0.00 0.00 179.01 179.96 1fi8 n LYS 135 N -5.42 1.18 -3.53 1.06 2.85 -1.26 -5.02 118.16 108.02 1fi8 n LYS 135 Ca -0.06 0.44 -0.29 0.00 -1.05 0.00 0.00 58.31 57.35 1fi8 n LYS 135 Cb 0.33 -2.28 -0.15 0.00 -0.65 0.00 0.00 35.03 32.29 1fi8 n LYS 135 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1fi8 s ILE 136 N -1.41 -0.06 0.67 0.58 1.01 -1.26 -5.15 121.20 115.58 1fi8 s ILE 136 Ca 0.73 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 1fi8 s ILE 136 Cb -0.43 -0.99 0.06 0.00 0.01 0.00 0.00 42.46 41.10 1fi8 s ILE 136 CO 0.49 -0.75 0.96 -1.81 0.00 0.00 0.00 174.94 173.82 1fi8 s ASP 137 N 2.00 4.87 0.21 3.58 1.01 -1.26 -5.10 116.67 121.97 1fi8 s ASP 137 Ca 0.10 0.27 0.07 0.00 0.71 0.00 0.00 52.55 53.70 1fi8 s ASP 137 Cb -0.17 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.77 1fi8 s ASP 137 CO -0.33 -1.52 0.12 0.20 0.21 0.00 0.00 175.17 173.85 1fi8 s ASN 138 N -4.52 5.29 0.42 0.27 0.01 -1.26 -5.12 114.94 110.04 1fi8 s ASN 138 Ca 0.60 -0.28 -0.08 0.00 -0.71 0.00 0.00 52.86 52.38 1fi8 s ASN 138 Cb -0.10 -1.29 -0.05 0.00 0.41 0.00 0.00 41.25 40.22 1fi8 s ASN 138 CO 0.43 0.02 0.76 0.00 -1.51 0.00 0.00 177.10 176.80 1fi8 s ALA 139 N -1.97 3.39 -0.10 0.60 0.00 -1.26 -5.07 121.76 117.35 1fi8 s ALA 139 Ca 0.31 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1fi8 s ALA 139 Cb -0.09 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1fi8 s ALA 139 CO 0.23 -0.09 0.05 0.08 0.00 0.00 0.00 175.76 176.02 1fi8 s VAL 140 N -2.46 4.72 -0.30 0.00 1.01 -1.26 -5.07 120.40 117.04 1fi8 s VAL 140 Ca 0.49 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1fi8 s VAL 140 Cb -0.10 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1fi8 s VAL 140 CO 0.35 0.61 0.92 -0.69 0.00 0.00 0.00 175.10 176.29 1fi8 s VAL 141 N -0.90 4.69 0.00 2.92 1.01 -1.26 -5.37 120.40 121.48 1fi8 s VAL 141 Ca 0.14 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1fi8 s VAL 141 Cb -0.12 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1fi8 s VAL 141 CO 0.03 -0.30 0.00 -2.11 0.00 0.00 0.00 175.10 172.71