#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x93 s ARG 32 N 0.00 2.48 -0.07 -2.82 1.81 -1.26 -5.12 118.95 113.97 1x93 s ARG 32 Ca 0.00 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 53.05 1x93 s ARG 32 Cb 0.00 -2.06 -0.03 0.00 -0.45 0.00 0.00 34.95 32.42 1x93 s ARG 32 CO 0.00 -0.04 1.17 0.00 -0.68 0.00 0.00 175.30 175.75 1x93 s ALA 33 N 0.90 3.48 -0.51 2.13 0.00 -1.26 -5.01 121.76 121.49 1x93 s ALA 33 Ca -0.07 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1x93 s ALA 33 Cb -0.15 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.61 1x93 s ALA 33 CO -0.01 -0.74 0.29 0.08 0.00 0.00 0.00 175.76 175.38 1x93 s VAL 34 N 2.19 1.99 -0.23 0.00 1.01 -1.26 -5.10 120.40 119.01 1x93 s VAL 34 Ca 0.54 -3.10 -0.05 0.00 0.00 0.00 0.00 61.98 59.37 1x93 s VAL 34 Cb -0.23 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1x93 s VAL 34 CO 0.21 -0.90 -0.01 -0.55 0.00 0.00 0.00 175.10 173.85 1x93 s SER 35 N -0.18 4.54 0.27 3.32 0.15 -1.26 -5.10 113.70 115.44 1x93 s SER 35 Ca 0.19 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.50 1x93 s SER 35 Cb -0.20 -1.79 -0.06 0.00 -1.71 0.00 0.00 66.02 62.26 1x93 s SER 35 CO -0.04 -0.03 0.04 -0.76 1.20 0.00 0.00 173.24 173.65 1x93 s LEU 36 N 1.51 2.04 -0.47 3.45 2.01 -1.26 -5.14 118.68 120.82 1x93 s LEU 36 Ca 0.06 -1.31 0.03 0.00 0.01 0.00 0.00 54.13 52.91 1x93 s LEU 36 Cb -0.15 -0.22 0.14 0.00 0.01 0.00 0.00 46.19 45.97 1x93 s LEU 36 CO -0.01 -0.60 0.27 -0.31 1.01 0.00 0.00 176.35 176.71 1x93 s TYR 37 N -3.47 2.18 0.95 0.29 2.02 -1.26 -5.12 117.35 112.94 1x93 s TYR 37 Ca 0.33 -2.57 -0.12 0.00 -0.37 0.00 0.00 57.07 54.34 1x93 s TYR 37 Cb 0.07 -1.99 0.16 0.00 -0.40 0.00 0.00 41.96 39.81 1x93 s TYR 37 CO 0.12 -0.76 1.10 -0.06 -1.57 0.00 0.00 175.55 174.38 1x93 s PHE 38 N 0.11 2.23 0.27 2.71 0.40 -1.26 -5.10 117.98 117.34 1x93 s PHE 38 Ca 0.19 1.05 0.07 0.00 -0.60 0.00 0.00 56.93 57.65 1x93 s PHE 38 Cb -0.21 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.04 1x93 s PHE 38 CO -0.03 -2.66 0.18 -1.12 0.70 0.00 0.00 175.22 172.30 1x93 s SER 39 N -3.53 5.34 0.18 1.36 0.01 -1.26 -4.95 113.70 110.86 1x93 s SER 39 Ca 0.64 -0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.41 1x93 s SER 39 Cb -0.18 -1.25 0.17 0.00 0.21 0.00 0.00 66.02 64.98 1x93 s SER 39 CO 0.57 -0.09 1.69 -2.24 0.41 0.00 0.00 173.24 173.58 1x93 h ASP 40 N 1.50 -0.19 -0.11 2.44 2.03 -1.99 0.62 116.42 120.72 1x93 h ASP 40 Ca -0.47 0.11 0.01 0.00 -0.73 0.00 0.00 57.03 55.95 1x93 h ASP 40 Cb 1.24 0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.93 1x93 h ASP 40 CO 0.60 -0.06 0.05 -0.33 -1.03 0.00 0.00 179.24 178.48 1x93 h GLU 41 N 0.12 0.11 -0.50 4.15 4.39 -1.98 0.15 114.58 121.02 1x93 h GLU 41 Ca 0.24 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1x93 h GLU 41 Cb 0.35 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1x93 h GLU 41 CO -0.39 0.08 0.33 1.96 -1.16 0.00 0.00 179.01 179.83 1x93 h GLN 42 N 0.12 0.66 -0.15 2.33 1.08 -1.78 -1.09 115.11 116.27 1x93 h GLN 42 Ca 0.04 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1x93 h GLN 42 Cb 0.01 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1x93 h GLN 42 CO -0.03 0.44 0.05 -0.92 -0.95 0.00 0.00 178.83 177.42 1x93 h TYR 43 N 0.68 0.25 -0.82 2.96 5.03 -0.72 -2.82 116.97 121.52 1x93 h TYR 43 Ca 0.18 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.44 1x93 h TYR 43 Cb -0.08 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.09 1x93 h TYR 43 CO -0.04 0.34 0.40 1.96 -1.32 0.00 0.00 178.16 179.50 1x93 h GLN 44 N 0.08 1.18 -0.84 1.82 7.50 -0.83 0.23 115.11 124.26 1x93 h GLN 44 Ca 0.05 -0.17 0.02 0.00 0.50 0.00 0.00 58.65 59.05 1x93 h GLN 44 Cb 0.21 -0.21 -0.05 0.00 0.05 0.00 0.00 27.48 27.48 1x93 h GLN 44 CO -0.00 0.91 0.55 0.87 -1.50 0.00 0.00 178.83 179.65 1x93 h LYS 45 N 1.17 1.05 -0.32 1.46 6.56 -1.18 0.35 116.57 125.66 1x93 h LYS 45 Ca 0.28 -0.06 -0.09 0.00 -1.06 0.00 0.00 60.65 59.72 1x93 h LYS 45 Cb 0.11 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 1x93 h LYS 45 CO -0.04 0.69 -0.15 -0.07 -2.06 0.00 0.00 179.45 177.83 1x93 h LEU 46 N 1.08 0.69 -1.04 2.94 -0.00 -1.15 -2.67 115.31 115.16 1x93 h LEU 46 Ca 0.32 -0.40 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1x93 h LEU 46 Cb -0.04 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.39 1x93 h LEU 46 CO -0.10 0.94 0.49 -0.08 -0.00 0.00 0.00 178.44 179.69 1x93 h GLU 47 N 0.44 1.16 -0.95 1.13 4.81 -0.77 0.30 114.58 120.70 1x93 h GLU 47 Ca 0.07 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1x93 h GLU 47 Cb 0.67 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1x93 h GLU 47 CO 0.05 0.83 0.58 -0.22 -0.73 0.00 0.00 179.01 179.51 1x93 h LYS 48 N 1.17 1.28 -0.17 1.92 3.11 -0.86 -1.75 116.57 121.27 1x93 h LYS 48 Ca 0.30 -0.11 -0.11 0.00 -2.81 0.00 0.00 60.65 57.92 1x93 h LYS 48 Cb -0.02 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 30.94 1x93 h LYS 48 CO -0.05 0.89 -0.31 0.52 -2.81 0.00 0.00 179.45 177.68 1x93 h MET 49 N 1.31 0.52 -0.06 1.90 2.86 -1.20 -3.32 114.93 116.93 1x93 h MET 49 Ca 0.34 -0.33 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1x93 h MET 49 Cb -0.07 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1x93 h MET 49 CO -0.07 0.93 0.04 0.00 1.06 0.00 0.00 176.91 178.87 1x93 h ALA 50 N 0.58 1.99 -0.26 6.32 0.00 -0.48 -0.91 119.26 126.50 1x93 h ALA 50 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1x93 h ALA 50 Cb 0.90 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x93 h ALA 50 CO 0.07 0.00 0.22 -0.97 0.00 0.00 0.00 179.25 178.57 1x93 h ASN 51 N 0.05 0.00 0.89 0.00 -0.73 -1.43 0.16 115.58 114.52 1x93 h ASN 51 Ca 0.02 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.10 1x93 h ASN 51 Cb 0.03 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1x93 h ASN 51 CO -0.00 0.00 -0.45 -0.33 -0.37 0.00 0.00 177.43 176.28 1x93 h GLU 52 N 0.00 0.00 -0.01 6.67 5.08 -1.35 -2.40 114.58 122.56 1x93 h GLU 52 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1x93 h GLU 52 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1x93 h GLU 52 CO -0.00 0.45 -0.03 0.39 -1.00 0.00 0.00 179.01 178.81 1x93 n GLU 53 N -3.53 1.59 -2.25 2.33 1.02 -0.55 -4.97 120.64 114.28 1x93 n GLU 53 Ca -0.00 -0.95 -0.04 0.00 -0.02 0.00 0.00 57.16 56.15 1x93 n GLU 53 Cb 0.57 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.53 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1x93 n GLU 54 N 0.13 -1.38 -2.82 3.49 2.13 -0.49 -4.68 120.64 117.01 1x93 n GLU 54 Ca 0.18 0.22 -0.06 0.00 0.66 0.00 0.00 57.16 58.16 1x93 n GLU 54 Cb 0.37 -3.15 0.01 0.00 0.27 0.00 0.00 31.44 28.94 1x93 n GLU 54 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1x93 n GLU 55 N -1.83 -2.78 -0.13 5.31 1.02 0.43 -4.94 120.64 117.71 1x93 n GLU 55 Ca -0.06 2.35 0.07 0.00 -0.02 0.00 0.00 57.16 59.50 1x93 n GLU 55 Cb 0.54 -5.40 0.10 0.00 -0.02 0.00 0.00 31.44 26.66 1x93 n GLU 55 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1x93 n SER 56 N 0.13 1.85 -0.38 1.62 3.41 -1.25 -5.00 113.62 114.00 1x93 n SER 56 Ca 0.07 -2.71 -0.03 0.00 -0.26 0.00 0.00 58.87 55.93 1x93 n SER 56 Cb 0.29 -0.33 0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1x93 n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1x93 h VAL 57 N 1.24 0.01 -0.60 -3.33 2.07 -1.90 0.97 116.25 114.72 1x93 h VAL 57 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1x93 h VAL 57 Cb 1.00 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1x93 h VAL 57 CO 0.00 0.00 0.20 1.23 0.02 0.00 0.00 177.57 179.02 1x93 h GLY 58 N -0.01 0.96 1.27 2.17 0.00 -1.97 -0.70 103.07 104.78 1x93 h GLY 58 Ca 0.31 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 1x93 h GLY 58 CO -0.96 0.49 -0.33 1.76 0.00 0.00 0.00 176.54 177.50 1x93 h SER 59 N 0.87 0.85 -0.56 0.19 0.02 -1.30 -2.36 113.55 111.25 1x93 h SER 59 Ca 0.20 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1x93 h SER 59 Cb 0.23 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1x93 h SER 59 CO -0.01 1.10 0.33 0.22 -1.14 0.00 0.00 176.83 177.33 1x93 h TYR 60 N 0.68 0.61 0.32 3.45 5.03 -0.37 0.11 116.97 126.81 1x93 h TYR 60 Ca 0.07 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1x93 h TYR 60 Cb 0.88 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.94 1x93 h TYR 60 CO 0.05 0.34 -0.44 0.82 -1.32 0.00 0.00 178.16 177.61 1x93 h ILE 61 N 0.65 0.00 -0.23 1.81 2.04 -1.14 -1.36 117.51 119.28 1x93 h ILE 61 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.15 1x93 h ILE 61 Cb 0.06 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.09 1x93 h ILE 61 CO -0.12 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.43 1x93 h LYS 62 N -0.79 -0.08 -0.79 2.37 3.64 -1.14 -1.94 116.57 117.84 1x93 h LYS 62 Ca -0.04 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1x93 h LYS 62 Cb 0.71 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 1x93 h LYS 62 CO -0.12 -0.05 0.52 0.00 -2.27 0.00 0.00 179.45 177.53 1x93 h ARG 63 N -0.08 0.88 -0.35 1.90 3.08 -0.74 -0.48 114.38 118.58 1x93 h ARG 63 Ca 0.12 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1x93 h ARG 63 Cb 0.26 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1x93 h ARG 63 CO -0.28 0.58 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.23 1x93 h TYR 64 N 0.90 0.73 -0.84 3.04 5.03 -0.51 0.64 116.97 125.96 1x93 h TYR 64 Ca 0.33 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 1x93 h TYR 64 Cb 0.16 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 1x93 h TYR 64 CO -0.00 0.79 0.47 0.82 -1.32 0.00 0.00 178.16 178.92 1x93 h ILE 65 N 0.46 1.24 -0.14 1.81 2.04 -1.05 -0.27 117.51 121.61 1x93 h ILE 65 Ca 0.09 -0.60 -0.15 0.00 1.00 0.00 0.00 64.86 65.21 1x93 h ILE 65 Cb 0.53 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1x93 h ILE 65 CO 0.03 0.27 -0.54 -0.07 0.00 0.00 0.00 178.15 177.83 1x93 h LEU 66 N 1.17 0.44 -0.75 1.44 4.07 -0.89 0.25 115.31 121.05 1x93 h LEU 66 Ca 0.30 -0.23 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 1x93 h LEU 66 Cb 0.02 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 1x93 h LEU 66 CO -0.05 0.90 0.11 0.50 -1.08 0.00 0.00 178.44 178.82 1x93 h LYS 67 N 0.31 1.06 -0.43 1.13 3.64 -0.56 -2.37 116.57 119.35 1x93 h LYS 67 Ca 0.01 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.00 1x93 h LYS 67 Cb 1.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1x93 h LYS 67 CO 0.09 0.97 -0.17 0.00 -2.27 0.00 0.00 179.45 178.08 1x93 h ALA 68 N 1.11 0.89 -0.37 5.00 0.00 -0.87 -3.28 119.26 121.75 1x93 h ALA 68 Ca 0.20 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1x93 h ALA 68 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1x93 h ALA 68 CO 0.01 0.63 0.15 1.25 0.00 0.00 0.00 179.25 181.29 1x93 h LEU 69 N 0.73 0.47 -2.45 0.00 5.85 -0.45 -0.13 115.31 119.33 1x93 h LEU 69 Ca 0.11 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1x93 h LEU 69 Cb 0.68 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1x93 h LEU 69 CO 0.05 0.42 0.17 0.03 -0.34 0.00 0.00 178.44 178.77 1x93 h ARG 70 N 0.52 0.00 0.00 1.25 3.08 -1.51 -1.02 114.38 116.70 1x93 h ARG 70 Ca 0.13 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.97 1x93 h ARG 70 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1x93 h ARG 70 CO -0.01 0.00 -1.81 1.63 -1.07 0.00 0.00 179.97 178.71 1x93 n LYS 71 N -3.21 1.95 -0.11 0.04 4.76 -0.20 -4.62 118.16 116.77 1x93 n LYS 71 Ca -0.01 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.30 1x93 n LYS 71 Cb 0.24 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 1x93 n LYS 71 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1x93 h ILE 72 N 0.00 1.29 0.00 -0.18 2.04 -0.93 -3.52 117.51 116.20 1x93 h ILE 72 Ca -0.31 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1x93 h ILE 72 Cb 1.68 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1x93 h ILE 72 CO 0.02 0.39 0.00 1.21 0.00 0.00 0.00 178.15 179.77