#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j95 n LEU 0 N 0.00 0.00 0.23 -5.58 4.77 -1.26 -1.41 117.00 113.75 2j95 n LEU 0 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2j95 n LEU 0 Cb 0.00 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 41.86 2j95 n LEU 0 CO 0.00 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.03 2j95 n SER 2 N -2.63 0.47 -4.33 0.00 7.64 -0.50 -3.21 113.62 111.07 2j95 n SER 2 Ca -0.01 0.11 -0.46 0.00 1.01 0.00 0.00 58.87 59.53 2j95 n SER 2 Cb 0.12 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 2j95 n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2j95 s LEU 3 N -3.49 6.12 -1.46 -3.43 2.96 -0.41 -4.60 118.68 114.37 2j95 s LEU 3 Ca 0.10 -1.89 -0.07 0.00 -0.22 0.00 0.00 54.13 52.06 2j95 s LEU 3 Cb 0.16 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.67 2j95 s LEU 3 CO 0.65 -0.86 0.74 -0.67 -1.32 0.00 0.00 176.35 174.89 2j95 n ASP 4 N 5.26 -2.41 -2.10 3.68 2.03 -1.26 -1.13 116.55 120.62 2j95 n ASP 4 Ca -0.08 -0.88 -0.16 0.00 0.52 0.00 0.00 54.79 54.20 2j95 n ASP 4 Cb 0.42 -3.59 -0.03 0.00 -0.72 0.00 0.00 41.12 37.20 2j95 n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2j95 n ASN 5 N -2.92 -4.47 -0.95 1.67 5.15 -1.20 -1.59 115.26 110.96 2j95 n ASN 5 Ca -0.14 0.20 -0.12 0.00 -0.60 0.00 0.00 54.58 53.92 2j95 n ASN 5 Cb 0.61 -3.86 -0.05 0.00 -0.53 0.00 0.00 39.78 35.94 2j95 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j95 n GLY 6 N -0.69 1.27 2.63 8.20 0.00 -0.28 -1.41 105.19 114.91 2j95 n GLY 6 Ca -0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2j95 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2j95 n ASP 7 N -0.67 -2.59 -4.79 1.61 2.03 -0.62 -4.98 116.55 106.54 2j95 n ASP 7 Ca -0.12 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.83 2j95 n ASP 7 Cb 0.50 -1.17 -0.06 0.00 -0.72 0.00 0.00 41.12 39.68 2j95 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j95 h ASP 9 N 2.66 0.81 0.00 0.00 5.19 -1.71 -3.47 116.42 119.90 2j95 h ASP 9 Ca -0.48 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 55.57 2j95 h ASP 9 Cb 1.20 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2j95 h ASP 9 CO 0.63 1.10 0.00 0.00 -3.12 0.00 0.00 179.24 177.86 2j95 n GLN 10 N -4.04 0.00 -2.12 3.56 6.02 -1.26 -5.01 117.38 114.52 2j95 n GLN 10 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 2j95 n GLN 10 Cb 0.53 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.76 2j95 n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2j95 s PHE 11 N 2.50 3.14 -0.07 1.08 0.08 -0.80 -4.91 117.98 119.01 2j95 s PHE 11 Ca 0.00 1.13 0.04 0.00 0.12 0.00 0.00 56.93 58.21 2j95 s PHE 11 Cb 0.00 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 2j95 s PHE 11 CO 0.00 -2.26 -0.19 0.00 -0.10 0.00 0.00 175.22 172.68 2j95 s HIS 13 N 0.35 0.95 -0.21 0.00 2.46 -0.24 -5.00 115.29 113.60 2j95 s HIS 13 Ca -0.13 -0.25 -0.10 0.00 0.47 0.00 0.00 55.06 55.05 2j95 s HIS 13 Cb -0.16 -0.59 -0.05 0.00 -0.13 0.00 0.00 32.58 31.66 2j95 s HIS 13 CO 0.05 -0.01 0.13 -1.21 -2.47 0.00 0.00 174.74 171.23 2j95 s GLU 14 N -0.64 4.09 -0.04 2.88 2.02 -1.26 0.38 118.70 126.13 2j95 s GLU 14 Ca 0.02 -0.27 0.02 0.00 0.02 0.00 0.00 54.97 54.76 2j95 s GLU 14 Cb -0.06 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.77 2j95 s GLU 14 CO 0.00 0.20 -0.08 -1.21 0.02 0.00 0.00 175.26 174.19 2j95 s GLU 15 N 0.64 1.04 -1.45 1.61 2.02 0.72 -4.88 118.70 118.40 2j95 s GLU 15 Ca 0.07 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 2j95 s GLU 15 Cb -0.12 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.15 2j95 s GLU 15 CO 0.01 0.03 0.28 1.04 0.02 0.00 0.00 175.26 176.65 2j95 n GLN 16 N 3.62 -2.32 -3.69 1.61 6.02 -1.26 0.77 117.38 122.13 2j95 n GLN 16 Ca -0.21 0.28 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 2j95 n GLN 16 Cb 0.53 -4.13 0.01 0.00 1.02 0.00 0.00 30.24 27.67 2j95 n GLN 16 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2j95 n ASN 17 N -2.92 -4.32 -3.81 1.08 3.02 -1.26 -4.99 115.26 102.05 2j95 n ASN 17 Ca -0.31 -0.63 -0.13 0.00 -0.03 0.00 0.00 54.58 53.48 2j95 n ASN 17 Cb 0.69 -3.51 -0.13 0.00 -0.61 0.00 0.00 39.78 36.22 2j95 n ASN 17 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2j95 s SER 18 N -3.04 -0.16 0.19 6.41 0.15 0.23 -5.06 113.70 112.42 2j95 s SER 18 Ca 0.56 0.33 -0.30 0.00 0.70 0.00 0.00 55.95 57.23 2j95 s SER 18 Cb -0.29 0.32 -0.09 0.00 -1.71 0.00 0.00 66.02 64.25 2j95 s SER 18 CO 0.69 -0.07 1.34 -0.69 1.20 0.00 0.00 173.24 175.71 2j95 s VAL 19 N 0.24 3.14 -0.11 4.45 1.01 -1.26 -0.20 120.40 127.66 2j95 s VAL 19 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.89 2j95 s VAL 19 Cb -0.03 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2j95 s VAL 19 CO -0.01 0.13 -0.11 -0.69 0.00 0.00 0.00 175.10 174.42 2j95 s VAL 20 N 0.26 1.23 0.14 2.92 1.01 0.16 -4.91 120.40 121.21 2j95 s VAL 20 Ca 0.58 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2j95 s VAL 20 Cb -0.37 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2j95 s VAL 20 CO 0.38 0.40 0.31 0.00 0.00 0.00 0.00 175.10 176.18 2j95 s SER 22 N -2.97 0.33 0.09 0.00 1.04 -0.60 -4.96 113.70 106.62 2j95 s SER 22 Ca 0.36 -1.19 0.02 0.00 0.48 0.00 0.00 55.95 55.62 2j95 s SER 22 Cb -0.12 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 2j95 s SER 22 CO 0.28 -1.34 -0.07 0.00 0.98 0.00 0.00 173.24 173.09 2j95 s ALA 24 N -3.21 0.92 0.27 0.00 0.00 -1.26 -4.89 121.76 113.59 2j95 s ALA 24 Ca 0.08 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 2j95 s ALA 24 Cb 0.02 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 2j95 s ALA 24 CO -0.04 -2.97 1.56 0.50 0.00 0.00 0.00 175.76 174.81 2j95 s ARG 25 N -4.65 4.16 0.00 0.00 3.52 -1.26 -2.28 118.95 118.44 2j95 s ARG 25 Ca 0.66 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.76 2j95 s ARG 25 Cb -0.22 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2j95 s ARG 25 CO 0.60 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 2j95 n GLY 26 N 2.37 0.76 3.34 8.12 0.00 -1.26 -4.72 105.19 113.81 2j95 n GLY 26 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2j95 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j95 s TYR 27 N -2.14 1.89 0.04 1.61 1.51 -0.97 -1.75 117.35 117.55 2j95 s TYR 27 Ca 0.00 -0.45 0.08 0.00 -1.01 0.00 0.00 57.07 55.69 2j95 s TYR 27 Cb 0.00 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 2j95 s TYR 27 CO 0.00 0.35 -0.23 0.95 -1.11 0.00 0.00 175.55 175.51 2j95 s THR 28 N -1.96 1.85 0.18 -0.71 -4.23 0.55 -4.83 115.64 106.48 2j95 s THR 28 Ca 0.16 -1.23 -0.30 0.00 -1.18 0.00 0.00 61.69 59.13 2j95 s THR 28 Cb -0.06 -1.59 -0.09 0.00 1.34 0.00 0.00 72.50 72.11 2j95 s THR 28 CO 0.07 0.30 1.35 -0.22 -0.54 0.00 0.00 174.62 175.58 2j95 s LEU 29 N -1.11 4.40 0.89 4.79 2.96 -1.26 -0.93 118.68 128.41 2j95 s LEU 29 Ca 0.09 2.40 -0.12 0.00 -0.22 0.00 0.00 54.13 56.29 2j95 s LEU 29 Cb -0.09 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 43.12 2j95 s LEU 29 CO 0.02 -0.58 1.11 0.00 -1.32 0.00 0.00 176.35 175.57 2j95 s ALA 30 N 0.41 1.75 0.55 5.97 0.00 0.15 -4.88 121.76 125.71 2j95 s ALA 30 Ca 0.59 -0.35 0.27 0.00 0.00 0.00 0.00 51.96 52.48 2j95 s ALA 30 Cb -0.37 -3.09 1.45 0.00 0.00 0.00 0.00 23.12 21.11 2j95 s ALA 30 CO 0.36 -2.22 1.97 -0.44 0.00 0.00 0.00 175.76 175.43 2j95 h ASP 31 N -1.45 0.00 0.39 0.00 3.32 -1.95 0.14 116.42 116.87 2j95 h ASP 31 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2j95 h ASP 31 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2j95 h ASP 31 CO 0.60 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.66 2j95 n ASN 32 N -4.18 0.00 -0.37 6.45 0.23 -1.26 -4.91 115.26 111.22 2j95 n ASN 32 Ca 0.10 -0.34 -0.05 0.00 -0.53 0.00 0.00 54.58 53.76 2j95 n ASN 32 Cb 0.66 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 2j95 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j95 n GLY 33 N 1.06 0.67 0.84 4.83 0.00 0.48 -4.83 105.19 108.24 2j95 n GLY 33 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2j95 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j95 n LYS 34 N -1.75 0.00 -2.53 1.61 5.02 -1.26 -4.30 118.16 114.94 2j95 n LYS 34 Ca -0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.93 2j95 n LYS 34 Cb 0.30 -0.54 -0.03 0.00 -0.02 0.00 0.00 35.03 34.74 2j95 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j95 s ALA 35 N -1.91 3.16 -0.19 7.82 0.00 -1.26 -1.92 121.76 127.46 2j95 s ALA 35 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 2j95 s ALA 35 Cb 0.00 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 2j95 s ALA 35 CO 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 175.76 175.53 2j95 s ILE 37 N 1.11 3.63 0.29 0.00 1.01 -0.11 -4.90 121.20 122.23 2j95 s ILE 37 Ca 0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 2j95 s ILE 37 Cb -0.15 -2.61 -0.11 0.00 0.01 0.00 0.00 42.46 39.61 2j95 s ILE 37 CO -0.01 0.47 1.52 -2.84 0.00 0.00 0.00 174.94 174.08 2j95 s PRO 38 N 0.77 4.18 0.16 2.79 0.02 -1.26 -0.33 135.00 141.33 2j95 s PRO 38 Ca -0.02 2.47 0.09 0.00 0.02 0.00 0.00 61.00 63.56 2j95 s PRO 38 Cb -0.15 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.22 2j95 s PRO 38 CO 0.02 -0.53 1.34 1.79 -0.33 0.00 0.00 177.00 179.29 2j95 h THR 39 N 3.37 1.52 -1.73 0.99 1.35 -1.68 -3.46 112.91 113.27 2j95 h THR 39 Ca -0.47 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.31 2j95 h THR 39 Cb 1.22 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 2j95 h THR 39 CO 0.76 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 177.49 2j95 n GLY 40 N 1.23 3.17 3.76 5.82 0.00 -1.26 -5.11 105.19 112.79 2j95 n GLY 40 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2j95 n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2j95 s PRO 41 N -1.19 2.92 -1.15 1.61 0.02 -1.26 -4.11 135.00 131.84 2j95 s PRO 41 Ca 0.00 1.63 -0.19 0.00 0.02 0.00 0.00 61.00 62.46 2j95 s PRO 41 Cb 0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 2j95 s PRO 41 CO 0.00 -1.20 0.78 0.66 -0.33 0.00 0.00 177.00 176.91 2j95 n TYR 42 N -1.89 -1.92 -1.63 6.54 4.01 -1.26 -4.96 117.16 116.05 2j95 n TYR 42 Ca 0.12 0.48 -0.33 0.00 -0.16 0.00 0.00 57.90 58.02 2j95 n TYR 42 Cb 0.51 -3.49 0.06 0.00 -0.31 0.00 0.00 39.34 36.10 2j95 n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2j95 s PRO 43 N -5.94 2.61 0.58 -0.72 0.04 -1.26 -4.97 135.00 125.34 2j95 s PRO 43 Ca 0.45 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.69 2j95 s PRO 43 Cb -0.16 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2j95 s PRO 43 CO 0.86 -1.40 1.32 0.00 0.04 0.00 0.00 177.00 177.81 2j95 n GLY 45 N 0.75 0.79 3.56 0.00 0.00 -1.26 -5.01 105.19 104.02 2j95 n GLY 45 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2j95 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j95 s LYS 46 N -0.02 3.65 0.51 1.61 -0.14 -1.22 -5.09 119.74 119.04 2j95 s LYS 46 Ca 0.00 -0.45 -0.23 0.00 -1.36 0.00 0.00 55.97 53.93 2j95 s LYS 46 Cb 0.00 -2.98 -0.06 0.00 -1.68 0.00 0.00 37.83 33.11 2j95 s LYS 46 CO 0.00 0.32 1.33 -0.65 -0.76 0.00 0.00 175.35 175.60 2j95 s GLN 47 N 0.17 3.34 0.15 1.68 -0.21 -1.26 -4.94 119.66 118.58 2j95 s GLN 47 Ca 0.00 2.18 -0.16 0.00 0.02 0.00 0.00 55.36 57.40 2j95 s GLN 47 Cb -0.13 -2.35 -0.07 0.00 1.00 0.00 0.00 33.01 31.46 2j95 s GLN 47 CO 0.02 -1.01 0.58 0.95 -2.12 0.00 0.00 175.29 173.71 2j95 s THR 48 N -1.33 4.80 0.00 -0.19 -4.23 -1.26 -4.99 115.64 108.44 2j95 s THR 48 Ca 0.68 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.14 2j95 s THR 48 Cb -0.39 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.68 2j95 s THR 48 CO 0.47 0.28 0.00 0.18 -0.54 0.00 0.00 174.62 175.01 2j95 n LEU 49 N 0.91 0.00 0.00 4.79 4.77 -1.26 -5.28 117.00 120.93 2j95 n LEU 49 Ca -0.06 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2j95 n LEU 49 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2j95 n LEU 49 CO 0.42 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.86