#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d56 s VAL 2 N 0.00 2.86 0.19 0.00 1.01 -1.26 -5.15 120.40 118.04 2d56 s VAL 2 Ca 0.00 -2.04 0.11 0.00 0.00 0.00 0.00 61.98 60.04 2d56 s VAL 2 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2d56 s VAL 2 CO 0.00 -0.27 -0.22 1.51 0.00 0.00 0.00 175.10 176.11 2d56 s ASP 3 N -3.23 3.23 0.01 3.32 1.47 -1.26 -5.05 116.67 115.16 2d56 s ASP 3 Ca 0.27 -0.86 -0.09 0.00 1.18 0.00 0.00 52.55 53.05 2d56 s ASP 3 Cb -0.07 -0.23 -0.31 0.00 -0.34 0.00 0.00 42.92 41.98 2d56 s ASP 3 CO 0.15 0.08 0.89 -0.26 0.68 0.00 0.00 175.17 176.72 2d56 h PHE 4 N 3.22 0.67 -3.63 2.11 0.04 -2.03 -3.47 116.94 113.85 2d56 h PHE 4 Ca -0.45 -0.49 -0.36 0.00 2.80 0.00 0.00 57.97 59.48 2d56 h PHE 4 Cb 1.21 -0.03 0.14 0.00 2.20 0.00 0.00 35.95 39.47 2d56 h PHE 4 CO 0.69 1.49 0.33 -1.13 -0.60 0.00 0.00 178.31 179.08 2d56 n SER 5 N -3.57 0.16 -0.03 2.17 3.41 -1.26 -5.02 113.62 109.48 2d56 n SER 5 Ca -0.17 -1.43 0.04 0.00 -0.26 0.00 0.00 58.87 57.04 2d56 n SER 5 Cb 1.07 -0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 64.07 2d56 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d56 n SER 6 N -3.65 1.11 -3.30 4.04 3.41 -1.26 -4.74 113.62 109.24 2d56 n SER 6 Ca 0.14 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.49 2d56 n SER 6 Cb 0.47 1.53 -0.08 0.00 -0.26 0.00 0.00 64.21 65.88 2d56 n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d56 n ALA 8 N 1.78 4.01 -0.06 0.00 0.00 -1.26 -4.06 120.51 120.92 2d56 n ALA 8 Ca 0.24 -1.61 -0.13 0.00 0.00 0.00 0.00 53.44 51.95 2d56 n ALA 8 Cb 0.50 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 2d56 n ALA 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2d56 n ARG 9 N -0.09 0.68 -2.47 0.00 5.12 -1.26 -4.98 116.66 113.65 2d56 n ARG 9 Ca 0.29 0.17 -0.20 0.00 -1.93 0.00 0.00 57.85 56.18 2d56 n ARG 9 Cb 1.09 -1.64 -0.01 0.00 -1.16 0.00 0.00 32.46 30.74 2d56 n ARG 9 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2d56 n MET 10 N -3.07 -2.06 -1.01 5.56 2.81 -1.26 -4.87 117.12 113.23 2d56 n MET 10 Ca -0.30 0.96 -0.13 0.00 -1.81 0.00 0.00 57.70 56.42 2d56 n MET 10 Cb 1.07 -5.64 0.18 0.00 -0.71 0.00 0.00 33.22 28.13 2d56 n MET 10 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2d56 n ASP 11 N -2.05 3.12 -4.72 7.83 -0.08 -1.26 -4.99 116.55 114.40 2d56 n ASP 11 Ca -0.22 -3.74 -0.23 0.00 -1.51 0.00 0.00 54.79 49.08 2d56 n ASP 11 Cb 0.67 -0.71 -0.06 0.00 2.34 0.00 0.00 41.12 43.36 2d56 n ASP 11 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2d56 s VAL 12 N -3.37 3.93 0.59 5.18 -7.23 -1.26 -5.00 120.40 113.24 2d56 s VAL 12 Ca 0.50 -1.59 0.29 0.00 -1.81 0.00 0.00 61.98 59.37 2d56 s VAL 12 Cb 0.44 -3.08 0.40 0.00 0.56 0.00 0.00 36.38 34.69 2d56 s VAL 12 CO 0.03 -0.30 1.80 -0.65 -0.31 0.00 0.00 175.10 175.67 2d56 h PRO 13 N 1.92 0.00 0.00 4.82 0.11 -2.05 -3.44 132.00 133.36 2d56 h PRO 13 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2d56 h PRO 13 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2d56 h PRO 13 CO 0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.80 2d56 n GLY 14 N -1.56 1.00 0.00 -0.55 0.00 -1.26 -5.06 105.19 97.76 2d56 n GLY 14 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2d56 n GLY 14 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2d56 n LEU 15 N 0.00 0.00 -0.57 0.99 -0.00 -1.26 -4.98 117.00 111.18 2d56 n LEU 15 Ca 0.00 0.00 0.46 0.00 -0.00 0.00 0.00 56.01 56.47 2d56 n LEU 15 Cb 0.00 0.00 0.77 0.00 -0.00 0.00 0.00 43.42 44.19 2d56 n LEU 15 CO 0.00 0.00 1.40 0.28 -0.00 0.00 0.00 177.39 179.07 2d56 h SER 16 N 0.00 0.05 0.25 1.45 0.02 -1.95 0.68 113.55 114.05 2d56 h SER 16 Ca 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2d56 h SER 16 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2d56 h SER 16 CO 0.00 -0.04 -0.12 0.11 -1.14 0.00 0.00 176.83 175.64 2d56 h LYS 17 N 0.02 -0.32 -0.13 3.45 1.79 -1.94 -0.40 116.57 119.04 2d56 h LYS 17 Ca 0.84 0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 59.19 2d56 h LYS 17 Cb 3.21 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 33.93 2d56 h LYS 17 CO -0.10 -0.02 -0.46 0.28 -1.08 0.00 0.00 179.45 178.07 2d56 h VAL 18 N -0.64 1.35 0.00 0.50 2.07 -0.70 -1.59 116.25 117.24 2d56 h VAL 18 Ca -0.03 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.73 2d56 h VAL 18 Cb 0.45 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2d56 h VAL 18 CO 0.06 0.53 -0.02 0.00 0.02 0.00 0.00 177.57 178.16 2d56 h ALA 19 N 0.51 1.19 0.00 1.67 0.00 0.06 0.30 119.26 122.99 2d56 h ALA 19 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2d56 h ALA 19 Cb 1.09 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2d56 h ALA 19 CO 0.10 0.02 -1.46 0.94 0.00 0.00 0.00 179.25 178.85 2d56 n GLN 20 N -3.37 0.62 0.05 0.00 0.00 -0.16 -2.44 117.38 112.09 2d56 n GLN 20 Ca -0.02 0.20 -0.05 0.00 -0.00 0.00 0.00 57.00 57.13 2d56 n GLN 20 Cb 0.12 -1.79 0.15 0.00 0.00 0.00 0.00 30.24 28.72 2d56 n GLN 20 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2d56 h GLY 21 N 3.74 0.39 1.12 1.69 0.00 0.05 0.04 103.07 110.10 2d56 h GLY 21 Ca -0.17 -0.41 -0.33 0.00 0.00 0.00 0.00 47.33 46.42 2d56 h GLY 21 CO 0.04 0.37 -1.61 0.17 0.00 0.00 0.00 176.54 175.51 2d56 h LEU 22 N 0.29 0.55 -0.72 3.11 8.10 -1.42 -2.81 115.31 122.42 2d56 h LEU 22 Ca 0.02 -0.76 -0.10 0.00 0.11 0.00 0.00 57.88 57.15 2d56 h LEU 22 Cb 0.93 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.95 2d56 h LEU 22 CO 0.08 1.63 -0.10 0.00 -4.11 0.00 0.00 178.44 175.93 2d56 h ILE 24 N 0.79 1.43 -0.02 0.00 6.09 -1.09 -2.51 117.51 122.20 2d56 h ILE 24 Ca 0.13 -1.31 -0.00 0.00 -1.37 0.00 0.00 64.86 62.30 2d56 h ILE 24 Cb 0.61 2.27 -0.00 0.00 0.47 0.00 0.00 36.82 40.18 2d56 h ILE 24 CO 0.04 0.35 -0.00 0.28 -3.07 0.00 0.00 178.15 175.74 2d56 h SER 25 N -0.48 0.03 -0.91 2.19 0.02 -1.49 0.10 113.55 113.01 2d56 h SER 25 Ca 0.00 -0.38 0.14 0.00 -0.84 0.00 0.00 61.79 60.71 2d56 h SER 25 Cb 0.58 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.02 2d56 h SER 25 CO 0.01 0.41 0.52 -1.28 -1.14 0.00 0.00 176.83 175.34 2d56 h SER 26 N -0.34 0.70 0.67 3.07 0.87 -0.74 0.12 113.55 117.89 2d56 h SER 26 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2d56 h SER 26 Cb 0.39 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2d56 h SER 26 CO 0.00 0.32 -0.36 0.00 -0.53 0.00 0.00 176.83 176.26 2d56 h LYS 28 N 0.00 0.00 -0.94 0.00 1.57 0.19 -3.27 116.57 114.12 2d56 h LYS 28 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2d56 h LYS 28 Cb 0.52 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 2d56 h LYS 28 CO 0.00 0.64 0.60 0.74 -0.57 0.00 0.00 179.45 180.86 2d56 h PHE 29 N 0.00 0.92 0.00 -1.35 -1.00 -1.47 0.28 116.94 114.32 2d56 h PHE 29 Ca -0.01 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2d56 h PHE 29 Cb 1.49 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.76 2d56 h PHE 29 CO 0.00 0.32 0.00 0.00 -1.61 0.00 0.00 178.31 177.02 2d56 n GLN 30 N -4.60 0.21 -2.20 1.51 10.64 -1.24 -4.88 117.38 116.82 2d56 n GLN 30 Ca 0.19 0.37 -0.20 0.00 -1.83 0.00 0.00 57.00 55.53 2d56 n GLN 30 Cb 0.47 -1.85 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 2d56 n GLN 30 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2d56 n ASN 31 N -2.23 -5.66 -0.64 2.61 5.15 0.97 -4.77 115.26 110.69 2d56 n ASN 31 Ca 0.03 0.13 -0.01 0.00 -0.60 0.00 0.00 54.58 54.13 2d56 n ASN 31 Cb 0.27 -4.78 -0.01 0.00 -0.53 0.00 0.00 39.78 34.73 2d56 n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d56 s GLY 33 N -0.61 -0.83 -0.20 0.00 0.00 -1.23 -1.73 107.32 102.72 2d56 s GLY 33 Ca 0.03 2.14 -0.09 0.00 0.00 0.00 0.00 44.72 46.80 2d56 s GLY 33 CO -0.01 3.28 0.11 -1.08 0.00 0.00 0.00 173.10 175.39 2d56 s THR 34 N 2.86 5.16 -0.21 0.90 -1.32 -1.08 -3.15 115.64 118.80 2d56 s THR 34 Ca 0.09 0.10 -0.29 0.00 -1.21 0.00 0.00 61.69 60.38 2d56 s THR 34 Cb -0.13 -3.35 0.01 0.00 -1.51 0.00 0.00 72.50 67.51 2d56 s THR 34 CO -0.20 0.43 1.05 -0.83 -2.21 0.00 0.00 174.62 172.87 2d56 s GLY 35 N 0.47 1.78 -0.02 6.08 0.00 -1.24 -2.48 107.32 111.91 2d56 s GLY 35 Ca 0.06 0.22 0.05 0.00 0.00 0.00 0.00 44.72 45.05 2d56 s GLY 35 CO -0.00 2.17 -0.18 0.30 0.00 0.00 0.00 173.10 175.39 2d56 s HIS 36 N 3.07 1.59 -0.97 1.90 3.76 -0.33 -4.46 115.29 119.86 2d56 s HIS 36 Ca 0.45 -0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 54.87 2d56 s HIS 36 Cb -0.16 -1.03 0.14 0.00 1.11 0.00 0.00 32.58 32.65 2d56 s HIS 36 CO 0.08 -0.04 1.15 0.00 -0.85 0.00 0.00 174.74 175.07 2d56 s GLU 38 N 2.29 4.18 -0.07 0.00 2.02 -0.90 -4.77 118.70 121.45 2d56 s GLU 38 Ca 0.33 0.75 -0.03 0.00 0.02 0.00 0.00 54.97 56.04 2d56 s GLU 38 Cb -0.05 -2.98 0.04 0.00 0.10 0.00 0.00 34.13 31.24 2d56 s GLU 38 CO -0.08 0.48 0.15 0.21 0.02 0.00 0.00 175.26 176.04 2d56 s LYS 39 N -1.76 0.09 0.00 1.61 2.20 -1.26 -0.37 119.74 120.25 2d56 s LYS 39 Ca 0.38 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 2d56 s LYS 39 Cb -0.17 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.96 2d56 s LYS 39 CO 0.20 -0.19 0.00 0.54 -0.36 0.00 0.00 175.35 175.54 2d56 n ARG 40 N 4.43 0.00 -0.79 4.03 1.74 -1.24 -4.79 116.66 120.03 2d56 n ARG 40 Ca -0.22 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.70 2d56 n ARG 40 Cb 0.51 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.02 2d56 n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d56 n GLY 41 N 3.45 3.81 1.28 -0.13 0.00 -1.26 -4.71 105.19 107.62 2d56 n GLY 41 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2d56 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d56 n GLY 42 N -0.02 0.94 2.84 -0.02 0.00 -1.26 -5.07 105.19 102.61 2d56 n GLY 42 Ca 0.32 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2d56 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d56 s ARG 43 N -2.85 1.16 0.65 1.61 0.52 -1.26 -5.13 118.95 113.65 2d56 s ARG 43 Ca 0.00 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.73 2d56 s ARG 43 Cb 0.00 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.70 2d56 s ARG 43 CO 0.00 -0.42 1.07 -1.25 0.02 0.00 0.00 175.30 174.72 2d56 s PRO 44 N 1.75 3.03 -0.02 3.54 0.04 -1.25 -3.69 135.00 138.40 2d56 s PRO 44 Ca 0.02 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2d56 s PRO 44 Cb -0.15 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2d56 s PRO 44 CO -0.07 -1.04 0.24 0.99 0.04 0.00 0.00 177.00 177.16 2d56 s THR 45 N -2.64 0.06 -1.00 1.26 2.01 0.50 -4.92 115.64 110.91 2d56 s THR 45 Ca 0.62 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 2d56 s THR 45 Cb -0.16 -0.52 0.25 0.00 0.01 0.00 0.00 72.50 72.08 2d56 s THR 45 CO 0.44 -0.27 0.94 0.00 -0.69 0.00 0.00 174.62 175.04 2d56 s VAL 47 N -1.37 4.84 -0.31 0.00 -7.23 -0.96 -4.81 120.40 110.57 2d56 s VAL 47 Ca 0.29 2.05 0.01 0.00 -1.81 0.00 0.00 61.98 62.52 2d56 s VAL 47 Cb -0.08 -4.31 0.07 0.00 0.56 0.00 0.00 36.38 32.62 2d56 s VAL 47 CO -0.11 0.13 -0.00 0.00 -0.31 0.00 0.00 175.10 174.81 2d56 s ASP 49 N 1.19 -0.71 -0.42 0.00 1.01 -1.04 -4.55 116.67 112.16 2d56 s ASP 49 Ca -0.01 0.98 0.08 0.00 0.71 0.00 0.00 52.55 54.31 2d56 s ASP 49 Cb -0.20 1.79 0.36 0.00 1.01 0.00 0.00 42.92 45.88 2d56 s ASP 49 CO -0.04 -0.25 1.27 -1.14 0.21 0.00 0.00 175.17 175.22 2d56 n ARG 50 N 5.41 1.10 -1.61 8.23 0.00 -0.71 -2.63 116.66 126.46 2d56 n ARG 50 Ca -0.07 -1.82 -0.33 0.00 -0.00 0.00 0.00 57.85 55.64 2d56 n ARG 50 Cb 0.50 -0.39 -0.04 0.00 0.00 0.00 0.00 32.46 32.53 2d56 n ARG 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2d56 n GLY 52 N 1.92 2.50 3.84 0.00 0.00 -1.26 -5.06 105.19 107.14 2d56 n GLY 52 Ca 0.59 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2d56 n GLY 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19