#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 2.44 -0.03 -2.82 6.06 -1.26 -5.16 118.95 118.18 1x93 s ARG 32 Ca 0.00 -1.67 0.03 0.00 -2.50 0.00 0.00 55.73 51.59 1x93 s ARG 32 Cb 0.00 -2.30 0.00 0.00 0.06 0.00 0.00 34.95 32.71 1x93 s ARG 32 CO 0.00 -0.31 -0.10 0.00 -2.50 0.00 0.00 175.30 172.40 1x93 s ALA 33 N -2.55 0.94 -0.38 6.12 0.00 -1.26 -5.11 121.76 119.53 1x93 s ALA 33 Ca 0.45 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1x93 s ALA 33 Cb -0.02 -0.35 0.12 0.00 0.00 0.00 0.00 23.12 22.86 1x93 s ALA 33 CO 0.27 0.15 0.17 0.08 0.00 0.00 0.00 175.76 176.42 1x93 s VAL 34 N 0.23 1.20 -0.28 0.00 1.01 -1.26 -5.11 120.40 116.19 1x93 s VAL 34 Ca -0.04 -2.03 -0.03 0.00 0.00 0.00 0.00 61.98 59.88 1x93 s VAL 34 Cb -0.09 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1x93 s VAL 34 CO 0.01 -0.79 0.00 -0.55 0.00 0.00 0.00 175.10 173.77 1x93 s SER 35 N 0.94 4.75 0.28 3.32 0.15 -1.26 -5.09 113.70 116.79 1x93 s SER 35 Ca 0.14 -1.01 0.02 0.00 0.70 0.00 0.00 55.95 55.80 1x93 s SER 35 Cb -0.21 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 1x93 s SER 35 CO -0.11 -0.20 0.10 -0.76 1.20 0.00 0.00 173.24 173.47 1x93 s LEU 36 N 1.34 1.72 -0.53 3.45 1.43 -1.26 -5.13 118.68 119.71 1x93 s LEU 36 Ca -0.01 -1.41 0.04 0.00 -1.03 0.00 0.00 54.13 51.71 1x93 s LEU 36 Cb -0.18 -0.02 0.15 0.00 0.03 0.00 0.00 46.19 46.16 1x93 s LEU 36 CO -0.01 -0.73 0.32 -0.31 0.23 0.00 0.00 176.35 175.84 1x93 s TYR 37 N -3.66 2.63 0.74 0.29 1.51 -1.26 -5.10 117.35 112.49 1x93 s TYR 37 Ca 0.37 -2.85 -0.10 0.00 -1.01 0.00 0.00 57.07 53.47 1x93 s TYR 37 Cb 0.08 -2.26 0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1x93 s TYR 37 CO 0.14 -0.71 1.10 -0.06 -1.11 0.00 0.00 175.55 174.91 1x93 s PHE 38 N -0.31 3.07 0.34 2.71 0.40 -1.26 -5.12 117.98 117.80 1x93 s PHE 38 Ca 0.21 0.75 0.08 0.00 -0.60 0.00 0.00 56.93 57.37 1x93 s PHE 38 Cb -0.17 -3.26 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 1x93 s PHE 38 CO -0.06 -1.46 0.27 -1.12 0.70 0.00 0.00 175.22 173.55 1x93 s SER 39 N -4.49 5.19 0.20 1.36 0.01 -1.26 -4.93 113.70 109.78 1x93 s SER 39 Ca 0.60 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 57.21 1x93 s SER 39 Cb -0.11 -0.92 0.25 0.00 0.21 0.00 0.00 66.02 65.45 1x93 s SER 39 CO 0.48 -0.35 1.75 -2.24 0.41 0.00 0.00 173.24 173.29 1x93 h ASP 40 N 1.29 0.24 0.12 2.44 2.03 -1.99 0.34 116.42 120.88 1x93 h ASP 40 Ca -0.44 0.07 -0.01 0.00 -0.73 0.00 0.00 57.03 55.92 1x93 h ASP 40 Cb 1.25 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1x93 h ASP 40 CO 0.59 0.15 -0.06 -0.33 -1.03 0.00 0.00 179.24 178.56 1x93 h GLU 41 N 0.41 -0.16 -0.72 4.15 4.39 -1.98 -0.76 114.58 119.90 1x93 h GLU 41 Ca 0.29 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.02 1x93 h GLU 41 Cb 0.34 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1x93 h GLU 41 CO -0.28 0.01 0.47 1.96 -1.16 0.00 0.00 179.01 180.00 1x93 h GLN 42 N -0.30 0.90 -0.29 2.33 7.50 -1.86 -0.67 115.11 122.71 1x93 h GLN 42 Ca -0.02 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.03 1x93 h GLN 42 Cb 0.25 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.56 1x93 h GLN 42 CO 0.03 0.59 -0.02 -0.92 -1.50 0.00 0.00 178.83 177.02 1x93 h TYR 43 N 0.92 0.58 -0.87 2.96 3.20 -0.91 -2.68 116.97 120.16 1x93 h TYR 43 Ca 0.28 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1x93 h TYR 43 Cb -0.03 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 1x93 h TYR 43 CO -0.03 0.68 0.57 1.96 -1.64 0.00 0.00 178.16 179.70 1x93 h GLN 44 N 0.31 1.09 -0.73 1.82 4.20 -0.83 0.97 115.11 121.95 1x93 h GLN 44 Ca 0.08 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1x93 h GLN 44 Cb 0.46 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1x93 h GLN 44 CO 0.02 0.72 0.48 0.87 -0.67 0.00 0.00 178.83 180.25 1x93 h LYS 45 N 1.13 0.93 -0.38 1.46 6.56 -1.10 0.65 116.57 125.82 1x93 h LYS 45 Ca 0.34 -0.06 -0.03 0.00 -1.06 0.00 0.00 60.65 59.84 1x93 h LYS 45 Cb -0.04 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 31.39 1x93 h LYS 45 CO -0.10 0.61 0.13 -0.07 -2.06 0.00 0.00 179.45 177.96 1x93 h LEU 46 N 0.96 0.55 -1.06 2.94 -0.00 -1.03 -2.62 115.31 115.05 1x93 h LEU 46 Ca 0.28 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1x93 h LEU 46 Cb -0.06 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.42 1x93 h LEU 46 CO -0.08 0.60 0.44 -0.08 -0.00 0.00 0.00 178.44 179.32 1x93 h GLU 47 N 0.47 1.10 -0.83 1.13 4.81 -0.55 0.16 114.58 120.87 1x93 h GLU 47 Ca 0.12 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1x93 h GLU 47 Cb 0.24 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1x93 h GLU 47 CO -0.01 0.80 0.49 -0.22 -0.73 0.00 0.00 179.01 179.35 1x93 h LYS 48 N 1.11 1.13 -0.19 1.92 3.11 -0.77 -2.17 116.57 120.71 1x93 h LYS 48 Ca 0.28 -0.11 -0.15 0.00 -2.81 0.00 0.00 60.65 57.86 1x93 h LYS 48 Cb 0.01 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.01 1x93 h LYS 48 CO -0.05 0.81 -0.48 0.52 -2.81 0.00 0.00 179.45 177.44 1x93 h MET 49 N 1.14 0.65 -0.03 1.90 2.86 -1.16 -3.33 114.93 116.97 1x93 h MET 49 Ca 0.30 -0.45 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1x93 h MET 49 Cb -0.03 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1x93 h MET 49 CO -0.05 1.07 0.02 0.00 1.06 0.00 0.00 176.91 179.01 1x93 h ALA 50 N 0.58 2.03 -0.14 6.32 0.00 -0.28 -0.53 119.26 127.23 1x93 h ALA 50 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1x93 h ALA 50 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1x93 h ALA 50 CO 0.10 -0.04 0.10 -0.97 0.00 0.00 0.00 179.25 178.45 1x93 h ASN 51 N 0.00 0.06 1.41 0.00 -1.24 -1.51 0.13 115.58 114.43 1x93 h ASN 51 Ca 0.01 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1x93 h ASN 51 Cb 0.06 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1x93 h ASN 51 CO -0.00 0.04 0.00 -0.33 -1.29 0.00 0.00 177.43 175.85 1x93 h GLU 52 N 0.07 0.00 -0.15 6.67 5.08 -1.28 -2.56 114.58 122.41 1x93 h GLU 52 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x93 h GLU 52 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1x93 h GLU 52 CO -0.01 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.09 1x93 n GLU 53 N -2.57 2.30 -2.36 2.33 2.13 -0.45 -5.00 120.64 117.03 1x93 n GLU 53 Ca 0.04 -1.92 -0.07 0.00 0.66 0.00 0.00 57.16 55.87 1x93 n GLU 53 Cb 0.40 -1.48 0.03 0.00 0.27 0.00 0.00 31.44 30.67 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1x93 n GLU 54 N 1.24 -1.16 -3.15 5.31 2.13 -0.30 -4.66 120.64 120.04 1x93 n GLU 54 Ca 0.16 0.42 -0.17 0.00 0.66 0.00 0.00 57.16 58.23 1x93 n GLU 54 Cb 0.57 -3.62 0.02 0.00 0.27 0.00 0.00 31.44 28.68 1x93 n GLU 54 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1x93 n GLU 55 N -2.34 -1.92 -3.14 5.31 0.28 0.29 -4.95 120.64 114.17 1x93 n GLU 55 Ca -0.04 1.67 -0.17 0.00 -0.16 0.00 0.00 57.16 58.46 1x93 n GLU 55 Cb 0.56 -3.22 -0.02 0.00 1.43 0.00 0.00 31.44 30.19 1x93 n GLU 55 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x93 n SER 56 N 0.25 0.55 -4.77 -1.84 2.88 -1.25 -5.02 113.62 104.43 1x93 n SER 56 Ca -0.00 -3.07 -0.41 0.00 -1.33 0.00 0.00 58.87 54.06 1x93 n SER 56 Cb 0.48 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1x93 n SER 56 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1x93 s VAL 57 N -2.20 2.47 0.00 2.46 -7.23 -1.26 -2.43 120.40 112.21 1x93 s VAL 57 Ca 0.38 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1x93 s VAL 57 Cb 0.35 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1x93 s VAL 57 CO -0.08 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1x93 n GLY 58 N 1.07 2.28 0.34 2.32 0.00 -1.26 -4.74 105.19 105.21 1x93 n GLY 58 Ca 0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 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 1.08 -0.67 1.61 0.02 -1.94 -1.40 113.55 112.24 1x93 h SER 59 Ca 0.00 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1x93 h SER 59 Cb 0.00 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 1x93 h SER 59 CO 0.00 0.89 0.43 0.22 -1.14 0.00 0.00 176.83 177.23 1x93 h TYR 60 N 1.18 0.81 -0.23 3.45 5.03 -1.77 -0.16 116.97 125.29 1x93 h TYR 60 Ca 0.29 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.68 1x93 h TYR 60 Cb 0.09 -0.27 -0.06 0.00 1.55 0.00 0.00 36.73 38.04 1x93 h TYR 60 CO 0.01 0.49 -0.14 0.82 -1.32 0.00 0.00 178.16 178.02 1x93 h ILE 61 N 0.86 0.59 -0.11 1.81 2.04 -1.75 -0.77 117.51 120.18 1x93 h ILE 61 Ca 0.26 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 1x93 h ILE 61 Cb -0.04 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1x93 h ILE 61 CO -0.08 0.00 0.05 0.50 0.00 0.00 0.00 178.15 178.62 1x93 h LYS 62 N -0.12 0.16 -0.88 2.37 3.64 -0.77 -2.02 116.57 118.93 1x93 h LYS 62 Ca 0.13 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1x93 h LYS 62 Cb 0.31 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1x93 h LYS 62 CO -0.31 0.22 0.57 0.00 -2.27 0.00 0.00 179.45 177.67 1x93 h ARG 63 N 0.05 0.91 -0.57 1.90 3.08 -0.87 -0.61 114.38 118.28 1x93 h ARG 63 Ca 0.04 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1x93 h ARG 63 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1x93 h ARG 63 CO -0.00 0.60 0.01 -0.92 -1.07 0.00 0.00 179.97 178.59 1x93 h TYR 64 N 0.94 1.08 -0.44 3.04 5.03 -0.63 0.14 116.97 126.13 1x93 h TYR 64 Ca 0.39 -0.18 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 1x93 h TYR 64 Cb 0.30 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1x93 h TYR 64 CO -0.00 0.97 0.06 0.82 -1.32 0.00 0.00 178.16 178.69 1x93 h ILE 65 N 0.88 1.25 -0.17 1.81 1.08 -1.02 -1.51 117.51 119.83 1x93 h ILE 65 Ca 0.16 -0.91 -0.14 0.00 -0.39 0.00 0.00 64.86 63.58 1x93 h ILE 65 Cb 0.53 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1x93 h ILE 65 CO 0.03 0.32 -0.49 -0.07 -0.69 0.00 0.00 178.15 177.24 1x93 h LEU 66 N 0.59 0.48 -0.13 1.44 4.07 -0.87 0.25 115.31 121.14 1x93 h LEU 66 Ca 0.13 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 57.86 1x93 h LEU 66 Cb 0.39 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1x93 h LEU 66 CO 0.01 0.90 0.05 0.50 -1.08 0.00 0.00 178.44 178.82 1x93 h LYS 67 N 0.35 0.12 -0.04 1.13 3.64 -0.68 -3.05 116.57 118.04 1x93 h LYS 67 Ca 0.02 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1x93 h LYS 67 Cb 0.99 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1x93 h LYS 67 CO 0.09 0.08 -0.44 0.00 -2.27 0.00 0.00 179.45 176.90 1x93 h ALA 68 N 1.08 1.19 0.00 5.00 0.00 -0.97 -3.29 119.26 122.26 1x93 h ALA 68 Ca 0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1x93 h ALA 68 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1x93 h ALA 68 CO -0.05 0.58 -0.09 1.25 0.00 0.00 0.00 179.25 180.94 1x93 h LEU 69 N 0.08 0.00 -1.88 0.00 5.85 -0.83 -0.22 115.31 118.31 1x93 h LEU 69 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1x93 h LEU 69 Cb 0.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1x93 h LEU 69 CO 0.06 0.09 -0.10 0.03 -0.34 0.00 0.00 178.44 178.18 1x93 h ARG 70 N 0.00 0.00 -0.03 1.25 3.08 -1.65 -3.36 114.38 113.68 1x93 h ARG 70 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1x93 h ARG 70 Cb 0.15 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.88 1x93 h ARG 70 CO 0.01 0.10 -0.84 1.17 -1.07 0.00 0.00 179.97 179.34 1x93 n LYS 71 N -3.48 0.14 -0.32 0.04 0.00 -0.22 -4.92 118.16 109.40 1x93 n LYS 71 Ca -0.01 -1.83 0.13 0.00 0.00 0.00 0.00 58.31 56.59 1x93 n LYS 71 Cb 0.25 0.03 0.31 0.00 0.00 0.00 0.00 35.03 35.62 1x93 n LYS 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1x93 h ILE 72 N 6.35 0.59 -0.02 3.15 2.04 -1.38 -3.50 117.51 124.75 1x93 h ILE 72 Ca -0.31 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1x93 h ILE 72 Cb 1.73 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1x93 h ILE 72 CO 0.00 0.10 0.00 -0.62 0.00 0.00 0.00 178.15 177.63