#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 3.86 0.14 -2.82 3.00 -1.26 -5.03 118.95 116.84 1x93 s ARG 32 Ca 0.00 -2.46 -0.31 0.00 0.00 0.00 0.00 55.73 52.96 1x93 s ARG 32 Cb 0.00 -4.76 -0.09 0.00 0.00 0.00 0.00 34.95 30.10 1x93 s ARG 32 CO 0.00 -1.54 1.50 0.00 0.00 0.00 0.00 175.30 175.26 1x93 s ALA 33 N 0.95 3.70 -0.25 2.13 0.00 -1.26 -5.03 121.76 122.01 1x93 s ALA 33 Ca 0.31 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.51 1x93 s ALA 33 Cb -0.07 -3.59 0.11 0.00 0.00 0.00 0.00 23.12 19.57 1x93 s ALA 33 CO -0.07 -0.73 0.22 0.08 0.00 0.00 0.00 175.76 175.27 1x93 s VAL 34 N 1.19 -0.29 -0.15 0.00 1.01 -1.26 -5.15 120.40 115.75 1x93 s VAL 34 Ca 0.68 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1x93 s VAL 34 Cb -0.41 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1x93 s VAL 34 CO 0.31 -0.40 -0.05 -0.55 0.00 0.00 0.00 175.10 174.41 1x93 s SER 35 N 2.28 4.67 0.35 3.32 0.15 -1.26 -5.12 113.70 118.09 1x93 s SER 35 Ca 0.08 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.61 1x93 s SER 35 Cb -0.15 -1.75 -0.06 0.00 -1.71 0.00 0.00 66.02 62.34 1x93 s SER 35 CO -0.23 0.17 0.06 -0.76 1.20 0.00 0.00 173.24 173.67 1x93 s LEU 36 N 0.36 2.24 -0.52 3.45 2.01 -1.26 -5.13 118.68 119.83 1x93 s LEU 36 Ca -0.05 -1.42 0.05 0.00 0.01 0.00 0.00 54.13 52.72 1x93 s LEU 36 Cb -0.14 -0.42 0.18 0.00 0.01 0.00 0.00 46.19 45.81 1x93 s LEU 36 CO 0.03 -0.63 0.44 -1.22 1.01 0.00 0.00 176.35 175.98 1x93 n TYR 37 N -0.76 0.75 -1.42 0.29 4.01 -1.26 -5.12 117.16 113.65 1x93 n TYR 37 Ca -0.03 -3.71 -0.29 0.00 -0.16 0.00 0.00 57.90 53.71 1x93 n TYR 37 Cb 0.66 -0.14 0.14 0.00 -0.31 0.00 0.00 39.34 39.70 1x93 n TYR 37 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1x93 s PHE 38 N -0.74 2.42 0.52 -0.72 0.40 -1.26 -5.09 117.98 113.51 1x93 s PHE 38 Ca 0.31 0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 57.55 1x93 s PHE 38 Cb 0.04 -3.32 0.01 0.00 0.51 0.00 0.00 43.02 40.25 1x93 s PHE 38 CO -0.17 -2.47 0.78 -1.54 0.70 0.00 0.00 175.22 172.52 1x93 s SER 39 N -3.84 5.63 0.22 1.36 1.04 -1.26 -4.92 113.70 111.93 1x93 s SER 39 Ca 0.64 0.41 -0.08 0.00 0.48 0.00 0.00 55.95 57.39 1x93 s SER 39 Cb -0.16 -1.49 0.31 0.00 0.10 0.00 0.00 66.02 64.78 1x93 s SER 39 CO 0.55 -0.93 1.77 0.44 0.98 0.00 0.00 173.24 176.05 1x93 h ASP 40 N 0.11 0.40 0.16 7.02 3.32 -1.99 -0.07 116.42 125.37 1x93 h ASP 40 Ca -0.45 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1x93 h ASP 40 Cb 1.26 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1x93 h ASP 40 CO 0.58 0.23 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.92 1x93 h GLU 41 N 0.55 -0.21 -1.00 3.56 4.39 -1.98 -1.15 114.58 118.74 1x93 h GLU 41 Ca 0.33 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.09 1x93 h GLU 41 Cb 0.35 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 1x93 h GLU 41 CO -0.27 -0.03 0.65 0.37 -1.16 0.00 0.00 179.01 178.57 1x93 h GLN 42 N -0.36 1.20 0.21 2.33 5.75 -1.87 -0.26 115.11 122.12 1x93 h GLN 42 Ca -0.02 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1x93 h GLN 42 Cb 0.28 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1x93 h GLN 42 CO 0.04 0.80 -0.10 -0.92 -2.65 0.00 0.00 178.83 175.99 1x93 h TYR 43 N 1.24 -0.26 -0.69 3.99 5.03 -1.02 -3.25 116.97 122.00 1x93 h TYR 43 Ca 0.41 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.72 1x93 h TYR 43 Cb 0.05 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 1x93 h TYR 43 CO -0.00 0.07 0.46 1.96 -1.32 0.00 0.00 178.16 179.33 1x93 h GLN 44 N -0.61 0.91 -0.95 1.82 4.20 -0.85 0.41 115.11 120.03 1x93 h GLN 44 Ca -0.03 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.70 1x93 h GLN 44 Cb 0.44 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 1x93 h GLN 44 CO 0.05 0.60 0.62 -0.22 -0.67 0.00 0.00 178.83 179.21 1x93 h LYS 45 N 0.94 1.05 -0.05 1.46 1.63 -1.14 0.88 116.57 121.34 1x93 h LYS 45 Ca 0.26 -0.06 -0.24 0.00 -0.85 0.00 0.00 60.65 59.75 1x93 h LYS 45 Cb -0.10 -0.24 0.01 0.00 -0.60 0.00 0.00 32.23 31.30 1x93 h LYS 45 CO -0.06 0.69 -0.93 -0.07 -3.45 0.00 0.00 179.45 175.64 1x93 h LEU 46 N 1.08 0.81 -0.78 5.20 3.38 -1.23 -3.02 115.31 120.75 1x93 h LEU 46 Ca 0.42 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1x93 h LEU 46 Cb 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1x93 h LEU 46 CO -0.17 1.40 0.51 -0.08 0.09 0.00 0.00 178.44 180.19 1x93 h GLU 47 N 0.39 1.00 -0.44 1.13 4.81 -0.59 -0.08 114.58 120.80 1x93 h GLU 47 Ca -0.09 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1x93 h GLU 47 Cb 1.56 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 1x93 h GLU 47 CO 0.18 0.66 0.05 -0.22 -0.73 0.00 0.00 179.01 178.95 1x93 h LYS 48 N 1.03 0.68 -0.23 1.92 3.64 -0.90 -2.40 116.57 120.32 1x93 h LYS 48 Ca 0.29 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1x93 h LYS 48 Cb -0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1x93 h LYS 48 CO -0.07 0.66 -0.10 0.52 -2.27 0.00 0.00 179.45 178.19 1x93 h MET 49 N 0.66 0.48 0.00 1.90 2.86 -1.36 -3.30 114.93 116.16 1x93 h MET 49 Ca 0.14 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1x93 h MET 49 Cb 0.33 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1x93 h MET 49 CO 0.01 0.74 -0.04 0.00 1.06 0.00 0.00 176.91 178.68 1x93 h ALA 50 N 0.73 1.58 0.00 6.32 0.00 -0.53 -0.57 119.26 126.78 1x93 h ALA 50 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x93 h ALA 50 Cb 0.59 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x93 h ALA 50 CO 0.03 0.05 -0.01 -0.97 0.00 0.00 0.00 179.25 178.35 1x93 h ASN 51 N 0.00 0.00 0.56 0.00 -1.24 -1.54 0.20 115.58 113.56 1x93 h ASN 51 Ca -0.00 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 1x93 h ASN 51 Cb 0.09 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 1x93 h ASN 51 CO 0.00 0.01 -0.61 -0.08 -1.29 0.00 0.00 177.43 175.46 1x93 h GLU 52 N 0.00 0.05 -0.00 6.67 4.81 -1.28 -2.14 114.58 122.69 1x93 h GLU 52 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1x93 h GLU 52 Cb 0.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1x93 h GLU 52 CO 0.00 0.64 -0.00 0.39 -0.73 0.00 0.00 179.01 179.31 1x93 n GLU 53 N -3.83 1.01 -2.98 1.92 -0.58 -0.56 -4.93 120.64 110.68 1x93 n GLU 53 Ca -0.01 -0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.56 1x93 n GLU 53 Cb 0.61 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 30.03 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x93 n GLU 54 N -0.96 -4.18 -1.63 3.49 2.13 -0.63 -4.72 120.64 114.14 1x93 n GLU 54 Ca 0.23 0.47 -0.00 0.00 0.66 0.00 0.00 57.16 58.53 1x93 n GLU 54 Cb 0.13 -4.41 -0.00 0.00 0.27 0.00 0.00 31.44 27.42 1x93 n GLU 54 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1x93 n GLU 55 N -2.93 -2.28 -0.72 5.31 4.07 0.59 -4.95 120.64 119.74 1x93 n GLU 55 Ca -0.07 1.94 -0.02 0.00 -0.06 0.00 0.00 57.16 58.95 1x93 n GLU 55 Cb 0.56 -2.41 -0.02 0.00 -0.06 0.00 0.00 31.44 29.51 1x93 n GLU 55 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x93 n SER 56 N 0.80 -0.18 -4.69 4.31 2.88 -1.25 -4.99 113.62 110.50 1x93 n SER 56 Ca -0.02 -1.51 -0.44 0.00 -1.33 0.00 0.00 58.87 55.57 1x93 n SER 56 Cb 0.03 0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 1x93 n SER 56 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1x93 n VAL 57 N 0.04 0.08 0.00 2.46 0.31 -1.26 -0.87 118.33 119.10 1x93 n VAL 57 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1x93 n VAL 57 Cb 0.64 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1x93 n VAL 57 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x93 n GLY 58 N 3.76 2.88 0.16 2.92 0.00 -1.26 -4.73 105.19 108.92 1x93 n GLY 58 Ca 0.17 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 0.64 -0.75 1.61 0.02 -1.79 -3.25 113.55 110.03 1x93 h SER 59 Ca 0.00 -0.75 0.11 0.00 -0.84 0.00 0.00 61.79 60.31 1x93 h SER 59 Cb 0.00 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.27 1x93 h SER 59 CO 0.00 1.30 0.36 0.22 -1.14 0.00 0.00 176.83 177.57 1x93 h TYR 60 N 0.04 0.64 -0.23 3.45 5.03 -1.29 -0.08 116.97 124.52 1x93 h TYR 60 Ca -0.09 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.29 1x93 h TYR 60 Cb 1.41 -0.17 -0.07 0.00 1.55 0.00 0.00 36.73 39.44 1x93 h TYR 60 CO 0.13 0.19 -0.53 0.82 -1.32 0.00 0.00 178.16 177.46 1x93 h ILE 61 N 0.58 0.02 0.07 1.81 2.04 -1.83 -0.73 117.51 119.47 1x93 h ILE 61 Ca 0.38 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.24 1x93 h ILE 61 Cb 0.46 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1x93 h ILE 61 CO -0.31 0.00 -0.03 0.50 0.00 0.00 0.00 178.15 178.31 1x93 h LYS 62 N -0.51 -0.09 -0.73 2.37 3.64 -1.33 -2.00 116.57 117.92 1x93 h LYS 62 Ca 0.06 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 1x93 h LYS 62 Cb 0.65 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.38 1x93 h LYS 62 CO -0.49 -0.06 0.14 0.00 -2.27 0.00 0.00 179.45 176.77 1x93 h ARG 63 N -0.10 0.22 -0.41 1.90 3.08 -0.77 0.17 114.38 118.47 1x93 h ARG 63 Ca -0.01 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1x93 h ARG 63 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1x93 h ARG 63 CO 0.02 0.14 -0.23 -0.92 -1.07 0.00 0.00 179.97 177.91 1x93 h TYR 64 N 0.22 1.02 -0.36 3.04 5.03 -0.71 0.18 116.97 125.39 1x93 h TYR 64 Ca 0.41 -0.26 -0.14 0.00 2.58 0.00 0.00 58.73 61.32 1x93 h TYR 64 Cb 0.71 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 1x93 h TYR 64 CO -0.30 1.05 -0.34 0.82 -1.32 0.00 0.00 178.16 178.07 1x93 h ILE 65 N 0.69 1.28 -0.16 1.81 1.08 -0.75 -0.85 117.51 120.61 1x93 h ILE 65 Ca 0.09 -1.51 -0.15 0.00 -0.39 0.00 0.00 64.86 62.90 1x93 h ILE 65 Cb 0.80 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1x93 h ILE 65 CO 0.07 0.50 -0.54 -0.07 -0.69 0.00 0.00 178.15 177.42 1x93 h LEU 66 N 0.68 0.53 -0.53 1.44 4.07 -0.55 -1.07 115.31 119.87 1x93 h LEU 66 Ca 0.07 -0.28 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 1x93 h LEU 66 Cb 0.90 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 1x93 h LEU 66 CO 0.08 0.97 0.03 0.50 -1.08 0.00 0.00 178.44 178.93 1x93 h LYS 67 N 0.37 0.93 -0.88 1.13 3.64 -0.88 -3.01 116.57 117.88 1x93 h LYS 67 Ca 0.01 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1x93 h LYS 67 Cb 1.06 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1x93 h LYS 67 CO 0.10 0.93 0.45 0.00 -2.27 0.00 0.00 179.45 178.66 1x93 h ALA 68 N 0.96 1.13 0.00 5.00 0.00 -0.96 -3.16 119.26 122.22 1x93 h ALA 68 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1x93 h ALA 68 Cb 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1x93 h ALA 68 CO 0.02 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.79 1x93 h LEU 69 N 1.24 0.00 -1.61 0.00 4.07 -1.05 -0.77 115.31 117.18 1x93 h LEU 69 Ca 0.30 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.33 1x93 h LEU 69 Cb 0.08 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1x93 h LEU 69 CO -0.04 0.08 0.37 0.03 -1.08 0.00 0.00 178.44 177.79 1x93 h ARG 70 N 0.00 0.46 -0.34 1.13 3.08 -1.55 -3.37 114.38 113.78 1x93 h ARG 70 Ca -0.00 -0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.74 1x93 h ARG 70 Cb 0.20 -0.10 -0.19 0.00 0.08 0.00 0.00 29.97 29.96 1x93 h ARG 70 CO 0.01 0.30 -0.59 0.36 -1.07 0.00 0.00 179.97 178.98 1x93 n LYS 71 N -4.47 0.84 -0.35 0.04 2.85 -0.40 -5.00 118.16 111.66 1x93 n LYS 71 Ca 0.08 -2.04 0.10 0.00 -1.05 0.00 0.00 58.31 55.40 1x93 n LYS 71 Cb 0.28 -1.34 0.27 0.00 -0.65 0.00 0.00 35.03 33.59 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 2.78 0.80 0.00 0.58 1.08 -1.45 -3.48 117.51 117.81 1x93 h ILE 72 Ca -0.10 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1x93 h ILE 72 Cb 1.03 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 1x93 h ILE 72 CO 0.31 0.15 0.00 1.21 -0.69 0.00 0.00 178.15 179.13