#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 3.61 -0.00 1.09 1.81 -1.26 -5.06 118.95 119.15 1x93 s ARG 32 Ca 0.00 -2.75 -0.30 0.00 -1.72 0.00 0.00 55.73 50.97 1x93 s ARG 32 Cb 0.00 -4.34 -0.08 0.00 -0.45 0.00 0.00 34.95 30.08 1x93 s ARG 32 CO 0.00 -1.26 1.96 0.00 -0.68 0.00 0.00 175.30 175.32 1x93 s ALA 33 N -0.38 3.49 -0.37 2.13 0.00 -1.26 -4.99 121.76 120.39 1x93 s ALA 33 Ca 0.22 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.41 1x93 s ALA 33 Cb -0.11 -3.86 0.12 0.00 0.00 0.00 0.00 23.12 19.27 1x93 s ALA 33 CO -0.08 -1.69 0.16 0.08 0.00 0.00 0.00 175.76 174.24 1x93 s VAL 34 N 4.82 1.12 -0.20 0.00 1.01 -1.26 -5.12 120.40 120.77 1x93 s VAL 34 Ca 0.88 -1.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1x93 s VAL 34 Cb -0.41 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1x93 s VAL 34 CO 0.40 -0.79 -0.00 -0.55 0.00 0.00 0.00 175.10 174.15 1x93 s SER 35 N 1.00 4.82 0.39 3.32 0.15 -1.26 -5.11 113.70 117.00 1x93 s SER 35 Ca 0.14 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.64 1x93 s SER 35 Cb -0.21 -1.82 -0.06 0.00 -1.71 0.00 0.00 66.02 62.22 1x93 s SER 35 CO -0.11 0.07 0.04 -0.76 1.20 0.00 0.00 173.24 173.67 1x93 s LEU 36 N 0.97 2.45 -0.55 3.45 2.01 -1.26 -5.13 118.68 120.63 1x93 s LEU 36 Ca 0.01 -1.43 0.04 0.00 0.01 0.00 0.00 54.13 52.77 1x93 s LEU 36 Cb -0.14 -0.60 0.17 0.00 0.01 0.00 0.00 46.19 45.62 1x93 s LEU 36 CO 0.02 -0.60 0.40 -0.31 1.01 0.00 0.00 176.35 176.87 1x93 s TYR 37 N -3.01 2.31 0.73 0.29 2.02 -1.26 -5.12 117.35 113.32 1x93 s TYR 37 Ca 0.32 -2.80 -0.11 0.00 -0.37 0.00 0.00 57.07 54.10 1x93 s TYR 37 Cb 0.08 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1x93 s TYR 37 CO 0.15 -0.69 1.07 -0.06 -1.57 0.00 0.00 175.55 174.45 1x93 s PHE 38 N -0.62 3.01 0.42 2.71 0.40 -1.26 -5.09 117.98 117.55 1x93 s PHE 38 Ca 0.28 1.31 -0.02 0.00 -0.60 0.00 0.00 56.93 57.91 1x93 s PHE 38 Cb -0.02 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.51 1x93 s PHE 38 CO -0.17 -1.44 0.66 -1.12 0.70 0.00 0.00 175.22 173.86 1x93 s SER 39 N -3.84 6.16 0.28 1.36 0.01 -1.26 -4.91 113.70 111.50 1x93 s SER 39 Ca 0.59 0.58 0.01 0.00 1.31 0.00 0.00 55.95 58.45 1x93 s SER 39 Cb -0.14 -1.99 0.55 0.00 0.21 0.00 0.00 66.02 64.65 1x93 s SER 39 CO 0.55 -0.50 1.83 -2.24 0.41 0.00 0.00 173.24 173.29 1x93 h ASP 40 N 0.47 0.92 0.33 2.44 2.03 -1.98 0.71 116.42 121.35 1x93 h ASP 40 Ca -0.48 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 55.85 1x93 h ASP 40 Cb 1.22 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 1x93 h ASP 40 CO 0.61 0.49 -0.17 -0.33 -1.03 0.00 0.00 179.24 178.80 1x93 h GLU 41 N 0.99 -0.45 -0.65 4.15 4.39 -1.98 -0.65 114.58 120.38 1x93 h GLU 41 Ca 0.50 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.26 1x93 h GLU 41 Cb 0.49 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1x93 h GLU 41 CO -0.27 -0.30 0.39 1.96 -1.16 0.00 0.00 179.01 179.64 1x93 h GLN 42 N -0.46 0.74 0.14 2.33 4.20 -1.79 -0.62 115.11 119.64 1x93 h GLN 42 Ca -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1x93 h GLN 42 Cb 0.36 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1x93 h GLN 42 CO 0.07 0.49 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.72 1x93 h TYR 43 N 0.76 -0.18 -0.79 2.96 3.20 -0.83 -2.73 116.97 119.35 1x93 h TYR 43 Ca 0.27 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1x93 h TYR 43 Cb 0.06 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1x93 h TYR 43 CO -0.06 -0.09 0.42 1.96 -1.64 0.00 0.00 178.16 178.75 1x93 h GLN 44 N -0.22 1.11 -0.76 1.82 4.20 -0.81 -0.15 115.11 120.30 1x93 h GLN 44 Ca -0.02 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1x93 h GLN 44 Cb 0.17 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1x93 h GLN 44 CO 0.03 0.83 0.50 -0.22 -0.67 0.00 0.00 178.83 179.30 1x93 h LYS 45 N 1.10 1.01 -0.29 1.46 3.11 -1.12 0.99 116.57 122.83 1x93 h LYS 45 Ca 0.28 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.95 1x93 h LYS 45 Cb 0.05 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.04 1x93 h LYS 45 CO -0.04 0.67 -0.24 -0.07 -2.81 0.00 0.00 179.45 176.97 1x93 h LEU 46 N 1.03 0.56 -0.59 5.20 3.38 -1.10 -1.67 115.31 122.13 1x93 h LEU 46 Ca 0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1x93 h LEU 46 Cb -0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1x93 h LEU 46 CO -0.06 0.80 0.17 -0.08 0.09 0.00 0.00 178.44 179.36 1x93 h GLU 47 N 0.50 0.92 -0.15 1.13 4.81 -0.65 0.13 114.58 121.27 1x93 h GLU 47 Ca 0.07 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1x93 h GLU 47 Cb 0.68 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1x93 h GLU 47 CO 0.05 0.84 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.77 1x93 h LYS 48 N 0.84 0.25 -0.17 1.92 3.64 -0.54 -2.03 116.57 120.47 1x93 h LYS 48 Ca 0.19 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1x93 h LYS 48 Cb 0.31 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1x93 h LYS 48 CO -0.00 0.43 -0.24 0.52 -2.27 0.00 0.00 179.45 177.89 1x93 h MET 49 N 0.23 0.46 -0.25 1.90 2.86 -1.23 -3.33 114.93 115.58 1x93 h MET 49 Ca 0.04 -0.27 0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1x93 h MET 49 Cb 0.46 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1x93 h MET 49 CO 0.03 0.86 0.20 0.00 1.06 0.00 0.00 176.91 179.06 1x93 h ALA 50 N 0.60 2.12 -0.17 6.32 0.00 -0.26 -0.18 119.26 127.69 1x93 h ALA 50 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1x93 h ALA 50 Cb 0.81 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1x93 h ALA 50 CO 0.06 -0.33 0.15 -0.97 0.00 0.00 0.00 179.25 178.15 1x93 h ASN 51 N 0.00 0.00 0.56 0.00 -1.24 -1.55 0.12 115.58 113.47 1x93 h ASN 51 Ca 0.12 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.02 1x93 h ASN 51 Cb 0.53 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.56 1x93 h ASN 51 CO -0.00 0.00 -0.51 -0.08 -1.29 0.00 0.00 177.43 175.55 1x93 h GLU 52 N 0.00 0.00 -0.20 6.67 4.57 -1.23 -2.39 114.58 122.00 1x93 h GLU 52 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1x93 h GLU 52 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1x93 h GLU 52 CO -0.00 0.51 0.00 0.39 -1.18 0.00 0.00 179.01 178.73 1x93 n GLU 53 N -3.87 2.00 -2.57 1.92 1.02 -0.55 -4.98 120.64 113.61 1x93 n GLU 53 Ca -0.01 -1.49 -0.08 0.00 -0.02 0.00 0.00 57.16 55.55 1x93 n GLU 53 Cb 0.53 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.73 -2.40 -2.53 3.49 2.13 -0.48 -4.71 120.64 116.88 1x93 n GLU 54 Ca 0.17 0.42 -0.03 0.00 0.66 0.00 0.00 57.16 58.38 1x93 n GLU 54 Cb 0.44 -3.95 -0.02 0.00 0.27 0.00 0.00 31.44 28.17 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 -2.46 -3.70 -2.62 5.31 -0.58 0.31 -4.94 120.64 111.96 1x93 n GLU 55 Ca -0.10 2.90 -0.01 0.00 -0.42 0.00 0.00 57.16 59.53 1x93 n GLU 55 Cb 0.57 -4.79 0.08 0.00 -0.57 0.00 0.00 31.44 26.73 1x93 n GLU 55 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x93 n SER 56 N 1.13 0.13 -4.66 1.62 2.88 -1.26 -5.01 113.62 108.46 1x93 n SER 56 Ca -0.21 -2.10 -0.48 0.00 -1.33 0.00 0.00 58.87 54.75 1x93 n SER 56 Cb 0.33 0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 1x93 n SER 56 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1x93 n VAL 57 N -0.93 0.07 0.00 2.46 0.24 -1.26 -1.78 118.33 117.13 1x93 n VAL 57 Ca -0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1x93 n VAL 57 Cb 0.85 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 1x93 n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x93 n GLY 58 N 3.37 3.05 0.24 7.63 0.00 -1.26 -4.79 105.19 113.42 1x93 n GLY 58 Ca 0.18 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 1x93 n GLY 58 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x93 h SER 59 N 0.00 0.89 -0.86 1.61 0.02 -1.79 -3.07 113.55 110.35 1x93 h SER 59 Ca 0.00 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1x93 h SER 59 Cb 0.00 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1x93 h SER 59 CO 0.00 1.26 0.51 0.22 -1.14 0.00 0.00 176.83 177.68 1x93 h TYR 60 N 0.60 1.15 0.13 3.45 5.03 -1.73 0.92 116.97 126.52 1x93 h TYR 60 Ca 0.01 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.33 1x93 h TYR 60 Cb 1.16 -0.37 -0.04 0.00 1.55 0.00 0.00 36.73 39.03 1x93 h TYR 60 CO 0.07 0.77 -0.34 0.82 -1.32 0.00 0.00 178.16 178.16 1x93 h ILE 61 N 1.20 0.29 0.24 1.81 2.04 -1.86 -1.28 117.51 119.96 1x93 h ILE 61 Ca 0.31 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.18 1x93 h ILE 61 Cb -0.03 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1x93 h ILE 61 CO -0.06 0.00 -0.34 0.50 0.00 0.00 0.00 178.15 178.26 1x93 h LYS 62 N -0.57 -0.62 -0.79 2.37 3.64 -1.32 -2.38 116.57 116.91 1x93 h LYS 62 Ca 0.03 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.63 1x93 h LYS 62 Cb 0.60 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.44 1x93 h LYS 62 CO -0.19 -0.41 0.19 0.00 -2.27 0.00 0.00 179.45 176.77 1x93 h ARG 63 N -0.64 0.24 -0.29 1.90 2.47 -0.73 0.14 114.38 117.47 1x93 h ARG 63 Ca 0.00 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1x93 h ARG 63 Cb 0.62 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1x93 h ARG 63 CO -0.12 0.16 -0.03 -0.92 0.56 0.00 0.00 179.97 179.62 1x93 h TYR 64 N 0.25 0.60 -0.42 3.04 5.03 -0.86 0.82 116.97 125.43 1x93 h TYR 64 Ca 0.46 -0.12 -0.07 0.00 2.58 0.00 0.00 58.73 61.59 1x93 h TYR 64 Cb 0.83 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 1x93 h TYR 64 CO -0.27 0.71 0.00 0.82 -1.32 0.00 0.00 178.16 178.10 1x93 h ILE 65 N 0.32 1.26 -0.08 1.81 1.08 -0.93 -1.31 117.51 119.66 1x93 h ILE 65 Ca 0.08 -1.02 -0.14 0.00 -0.39 0.00 0.00 64.86 63.39 1x93 h ILE 65 Cb 0.49 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1x93 h ILE 65 CO 0.02 0.35 -0.58 -0.07 -0.69 0.00 0.00 178.15 177.18 1x93 h LEU 66 N 0.57 0.29 -0.26 1.44 4.07 -0.63 -0.48 115.31 120.31 1x93 h LEU 66 Ca 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1x93 h LEU 66 Cb 0.48 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1x93 h LEU 66 CO 0.02 0.80 0.07 0.50 -1.08 0.00 0.00 178.44 178.75 1x93 h LYS 67 N 0.19 0.41 -0.71 1.13 3.64 -0.79 -3.17 116.57 117.27 1x93 h LYS 67 Ca -0.00 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1x93 h LYS 67 Cb 1.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1x93 h LYS 67 CO 0.09 0.50 0.24 0.00 -2.27 0.00 0.00 179.45 178.01 1x93 h ALA 68 N 0.89 1.08 0.00 5.00 0.00 -0.93 -3.07 119.26 122.23 1x93 h ALA 68 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1x93 h ALA 68 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x93 h ALA 68 CO -0.00 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1x93 n LEU 69 N -4.27 0.64 -0.25 0.00 4.77 -0.21 -1.30 117.00 116.38 1x93 n LEU 69 Ca 0.06 0.68 0.06 0.00 -0.03 0.00 0.00 56.01 56.79 1x93 n LEU 69 Cb 0.21 -0.63 0.31 0.00 -2.33 0.00 0.00 43.42 40.99 1x93 n LEU 69 CO 0.41 -0.63 1.23 0.03 -1.33 0.00 0.00 177.39 177.09 1x93 h ARG 70 N 0.00 0.83 -0.02 3.23 3.08 -1.52 -3.39 114.38 116.58 1x93 h ARG 70 Ca 0.00 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 1x93 h ARG 70 Cb 0.29 -0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.01 1x93 h ARG 70 CO 0.00 0.55 -0.49 0.36 -1.07 0.00 0.00 179.97 179.32 1x93 n LYS 71 N -4.50 0.77 -0.24 0.04 2.85 -0.42 -5.01 118.16 111.66 1x93 n LYS 71 Ca 0.13 -1.73 0.11 0.00 -1.05 0.00 0.00 58.31 55.77 1x93 n LYS 71 Cb 0.26 -1.46 0.39 0.00 -0.65 0.00 0.00 35.03 33.57 1x93 n LYS 71 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1x93 h ILE 72 N 3.04 0.87 0.00 0.58 1.08 -1.58 -3.48 117.51 118.01 1x93 h ILE 72 Ca -0.15 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1x93 h ILE 72 Cb 1.03 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1x93 h ILE 72 CO 0.32 0.12 0.00 1.21 -0.69 0.00 0.00 178.15 179.11