#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 2.22 -0.24 1.09 3.00 -1.26 -5.10 118.95 118.66 1x93 s ARG 32 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 55.73 55.78 1x93 s ARG 32 Cb 0.00 -2.04 0.07 0.00 0.00 0.00 0.00 34.95 32.98 1x93 s ARG 32 CO 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 175.30 173.97 1x93 s ALA 33 N -3.42 1.49 -0.61 2.13 0.00 -1.26 -5.09 121.76 115.00 1x93 s ALA 33 Ca 0.60 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 51.39 1x93 s ALA 33 Cb -0.11 -1.40 0.18 0.00 0.00 0.00 0.00 23.12 21.79 1x93 s ALA 33 CO 0.48 -1.34 0.48 0.28 0.00 0.00 0.00 175.76 175.67 1x93 n VAL 34 N 4.86 0.89 -3.89 0.00 0.31 -1.26 -5.08 118.33 114.16 1x93 n VAL 34 Ca -0.07 -4.51 -0.36 0.00 -0.01 0.00 0.00 64.34 59.39 1x93 n VAL 34 Cb 0.45 -2.03 -0.13 0.00 -0.91 0.00 0.00 33.84 31.21 1x93 n VAL 34 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1x93 s SER 35 N -1.18 4.85 0.20 4.52 0.15 -1.26 -5.09 113.70 115.89 1x93 s SER 35 Ca 0.29 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.71 1x93 s SER 35 Cb 0.01 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.42 1x93 s SER 35 CO -0.16 0.00 0.03 -0.76 1.20 0.00 0.00 173.24 173.56 1x93 s LEU 36 N 1.38 1.94 -0.46 3.45 1.02 -1.26 -5.14 118.68 119.62 1x93 s LEU 36 Ca 0.05 -1.24 0.02 0.00 0.02 0.00 0.00 54.13 52.98 1x93 s LEU 36 Cb -0.15 -0.02 0.14 0.00 0.02 0.00 0.00 46.19 46.18 1x93 s LEU 36 CO 0.01 -0.63 0.26 -0.31 0.02 0.00 0.00 176.35 175.70 1x93 s TYR 37 N -3.70 2.14 0.96 0.29 2.02 -1.26 -5.13 117.35 112.68 1x93 s TYR 37 Ca 0.29 -2.54 -0.15 0.00 -0.37 0.00 0.00 57.07 54.30 1x93 s TYR 37 Cb 0.07 -1.98 0.18 0.00 -0.40 0.00 0.00 41.96 39.82 1x93 s TYR 37 CO 0.07 -0.77 1.22 -0.06 -1.57 0.00 0.00 175.55 174.45 1x93 s PHE 38 N 0.20 1.88 0.25 2.71 0.40 -1.26 -5.12 117.98 117.03 1x93 s PHE 38 Ca 0.18 0.54 0.12 0.00 -0.60 0.00 0.00 56.93 57.17 1x93 s PHE 38 Cb -0.22 -3.74 -0.05 0.00 0.51 0.00 0.00 43.02 39.52 1x93 s PHE 38 CO -0.01 -2.62 -0.21 -1.12 0.70 0.00 0.00 175.22 171.96 1x93 s SER 39 N -4.49 3.50 0.23 1.36 0.01 -1.26 -5.00 113.70 108.04 1x93 s SER 39 Ca 0.69 -0.97 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 1x93 s SER 39 Cb -0.08 -0.28 0.37 0.00 0.21 0.00 0.00 66.02 66.24 1x93 s SER 39 CO 0.53 0.06 1.77 0.44 0.41 0.00 0.00 173.24 176.45 1x93 h ASP 40 N 2.63 0.44 0.27 2.44 3.32 -1.99 -0.17 116.42 123.35 1x93 h ASP 40 Ca -0.42 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 1x93 h ASP 40 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1x93 h ASP 40 CO 0.56 0.23 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.78 1x93 h GLU 41 N 0.58 -0.45 -0.89 3.56 4.39 -1.98 0.12 114.58 119.89 1x93 h GLU 41 Ca 0.37 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1x93 h GLU 41 Cb 0.43 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1x93 h GLU 41 CO -0.30 -0.30 0.54 1.96 -1.16 0.00 0.00 179.01 179.75 1x93 h GLN 42 N -0.47 1.21 0.22 2.33 1.08 -1.81 -1.82 115.11 115.85 1x93 h GLN 42 Ca -0.02 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1x93 h GLN 42 Cb 0.41 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1x93 h GLN 42 CO -0.00 0.84 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.69 1x93 h TYR 43 N 1.23 -0.28 -0.98 2.96 3.20 -0.89 -3.09 116.97 119.13 1x93 h TYR 43 Ca 0.32 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.20 1x93 h TYR 43 Cb -0.06 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 1x93 h TYR 43 CO 0.00 0.06 0.65 1.96 -1.64 0.00 0.00 178.16 179.19 1x93 h GLN 44 N -0.65 1.28 -1.00 1.82 7.50 -0.66 0.51 115.11 123.92 1x93 h GLN 44 Ca -0.03 -0.08 0.02 0.00 0.50 0.00 0.00 58.65 59.07 1x93 h GLN 44 Cb 0.46 -0.29 -0.05 0.00 0.05 0.00 0.00 27.48 27.65 1x93 h GLN 44 CO 0.05 0.85 0.66 0.87 -1.50 0.00 0.00 178.83 179.76 1x93 h LYS 45 N 1.32 1.27 -0.00 1.46 1.79 -1.42 0.38 116.57 121.37 1x93 h LYS 45 Ca 0.36 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.60 1x93 h LYS 45 Cb -0.14 -0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 30.20 1x93 h LYS 45 CO -0.08 0.84 -0.74 -0.07 -1.08 0.00 0.00 179.45 178.32 1x93 h LEU 46 N 1.31 0.03 -0.40 2.94 3.38 -1.12 -2.27 115.31 119.18 1x93 h LEU 46 Ca 0.38 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1x93 h LEU 46 Cb -0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1x93 h LEU 46 CO -0.10 0.76 0.12 -0.08 0.09 0.00 0.00 178.44 179.23 1x93 h GLU 47 N 0.02 0.63 -0.46 1.13 4.81 -0.61 0.07 114.58 120.16 1x93 h GLU 47 Ca -0.01 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1x93 h GLU 47 Cb 1.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1x93 h GLU 47 CO 0.10 0.63 0.13 -0.22 -0.73 0.00 0.00 179.01 178.92 1x93 h LYS 48 N 0.50 0.68 -0.04 1.92 1.63 -0.88 -1.68 116.57 118.71 1x93 h LYS 48 Ca 0.13 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1x93 h LYS 48 Cb 0.27 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1x93 h LYS 48 CO -0.00 0.61 -0.00 0.52 -3.45 0.00 0.00 179.45 177.12 1x93 h MET 49 N 0.67 0.07 0.00 1.90 2.86 -1.35 -3.30 114.93 115.77 1x93 h MET 49 Ca 0.15 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1x93 h MET 49 Cb 0.22 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1x93 h MET 49 CO -0.01 0.39 -0.01 0.00 1.06 0.00 0.00 176.91 178.34 1x93 h ALA 50 N 0.67 1.02 -0.12 6.32 0.00 -0.46 -1.41 119.26 125.28 1x93 h ALA 50 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1x93 h ALA 50 Cb 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1x93 h ALA 50 CO 0.00 0.01 0.15 -0.97 0.00 0.00 0.00 179.25 178.45 1x93 h ASN 51 N 0.00 0.00 -0.00 0.00 -0.73 -1.40 0.16 115.58 113.61 1x93 h ASN 51 Ca -0.00 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 1x93 h ASN 51 Cb 0.29 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1x93 h ASN 51 CO 0.00 0.00 -0.43 -0.08 -0.37 0.00 0.00 177.43 176.55 1x93 h GLU 52 N 0.00 0.53 -0.01 6.67 4.81 -1.45 -2.29 114.58 122.84 1x93 h GLU 52 Ca 0.06 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1x93 h GLU 52 Cb 0.36 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1x93 h GLU 52 CO -0.00 0.86 0.00 0.39 -0.73 0.00 0.00 179.01 179.53 1x93 n GLU 53 N -4.01 1.10 -2.67 1.92 -0.58 -0.54 -4.93 120.64 110.94 1x93 n GLU 53 Ca -0.02 -0.15 -0.04 0.00 -0.42 0.00 0.00 57.16 56.53 1x93 n GLU 53 Cb 0.53 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.98 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 -0.75 -1.40 -2.39 3.49 2.13 -0.62 -4.69 120.64 116.41 1x93 n GLU 54 Ca 0.20 0.15 -0.05 0.00 0.66 0.00 0.00 57.16 58.12 1x93 n GLU 54 Cb 0.13 -3.10 -0.04 0.00 0.27 0.00 0.00 31.44 28.70 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 -1.31 -3.84 -2.36 5.31 0.00 0.45 -4.93 120.64 113.97 1x93 n GLU 55 Ca -0.00 2.97 -0.01 0.00 0.00 0.00 0.00 57.16 60.12 1x93 n GLU 55 Cb 0.51 -4.37 0.05 0.00 0.00 0.00 0.00 31.44 27.64 1x93 n GLU 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1x93 n SER 56 N 1.41 0.40 -0.23 4.31 3.41 -1.26 -5.00 113.62 116.67 1x93 n SER 56 Ca -0.35 -2.07 0.04 0.00 -0.26 0.00 0.00 58.87 56.22 1x93 n SER 56 Cb 0.55 -0.06 0.14 0.00 -0.26 0.00 0.00 64.21 64.58 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 5.37 0.46 -0.82 -3.33 2.07 -1.89 0.69 116.25 118.80 1x93 h VAL 57 Ca -0.28 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1x93 h VAL 57 Cb 1.41 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1x93 h VAL 57 CO 0.02 0.03 0.47 1.23 0.02 0.00 0.00 177.57 179.34 1x93 h GLY 58 N 0.16 1.21 1.19 2.17 0.00 -1.97 -0.68 103.07 105.15 1x93 h GLY 58 Ca 0.38 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1x93 h GLY 58 CO -0.56 0.50 -0.36 1.76 0.00 0.00 0.00 176.54 177.89 1x93 h SER 59 N 1.13 0.95 -0.76 0.19 0.02 -1.57 -3.03 113.55 110.48 1x93 h SER 59 Ca 0.29 -0.42 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1x93 h SER 59 Cb -0.01 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1x93 h SER 59 CO -0.05 1.20 0.48 0.22 -1.14 0.00 0.00 176.83 177.54 1x93 h TYR 60 N 0.74 0.91 0.21 3.45 5.03 -0.30 0.12 116.97 127.14 1x93 h TYR 60 Ca 0.07 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.41 1x93 h TYR 60 Cb 0.94 -0.30 -0.04 0.00 1.55 0.00 0.00 36.73 38.87 1x93 h TYR 60 CO 0.06 0.53 -0.50 0.82 -1.32 0.00 0.00 178.16 177.75 1x93 h ILE 61 N 0.95 0.04 -0.64 1.81 2.04 -1.15 -0.22 117.51 120.34 1x93 h ILE 61 Ca 0.30 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.14 1x93 h ILE 61 Cb -0.01 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1x93 h ILE 61 CO -0.10 0.00 0.34 0.50 0.00 0.00 0.00 178.15 178.88 1x93 h LYS 62 N -0.79 0.91 -0.83 2.37 3.64 -1.32 -2.40 116.57 118.15 1x93 h LYS 62 Ca -0.01 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1x93 h LYS 62 Cb 0.77 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1x93 h LYS 62 CO -0.23 0.70 0.48 0.00 -2.27 0.00 0.00 179.45 178.13 1x93 h ARG 63 N 0.88 0.78 -0.48 1.90 2.47 -0.61 -0.39 114.38 118.93 1x93 h ARG 63 Ca 0.22 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.77 1x93 h ARG 63 Cb 0.07 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1x93 h ARG 63 CO -0.03 0.51 -0.20 -0.92 0.56 0.00 0.00 179.97 179.89 1x93 h TYR 64 N 0.80 1.12 -0.44 3.04 3.20 -0.55 0.89 116.97 125.03 1x93 h TYR 64 Ca 0.40 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1x93 h TYR 64 Cb 0.36 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1x93 h TYR 64 CO -0.06 1.09 0.20 0.82 -1.64 0.00 0.00 178.16 178.57 1x93 h ILE 65 N 0.83 1.19 -0.34 1.81 2.04 -1.18 -0.39 117.51 121.47 1x93 h ILE 65 Ca 0.11 -0.54 -0.13 0.00 1.00 0.00 0.00 64.86 65.30 1x93 h ILE 65 Cb 0.78 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1x93 h ILE 65 CO 0.06 0.21 -0.30 -0.07 0.00 0.00 0.00 178.15 178.05 1x93 h LEU 66 N 0.57 0.76 -0.66 1.44 4.07 -0.83 0.28 115.31 120.93 1x93 h LEU 66 Ca 0.15 -0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 1x93 h LEU 66 Cb 0.14 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1x93 h LEU 66 CO -0.02 1.01 0.28 0.50 -1.08 0.00 0.00 178.44 179.13 1x93 h LYS 67 N 0.62 0.98 -0.50 1.13 3.64 -0.68 -1.88 116.57 119.88 1x93 h LYS 67 Ca 0.07 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1x93 h LYS 67 Cb 0.82 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1x93 h LYS 67 CO 0.07 0.81 0.06 0.00 -2.27 0.00 0.00 179.45 178.12 1x93 h ALA 68 N 1.12 0.67 -0.25 5.00 0.00 -0.83 -3.17 119.26 121.80 1x93 h ALA 68 Ca 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1x93 h ALA 68 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1x93 h ALA 68 CO -0.02 0.42 0.06 -0.07 0.00 0.00 0.00 179.25 179.64 1x93 h LEU 69 N 0.72 0.32 -1.98 0.00 3.38 -0.63 -0.00 115.31 117.11 1x93 h LEU 69 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1x93 h LEU 69 Cb 0.43 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1x93 h LEU 69 CO 0.01 0.33 0.19 -0.09 0.09 0.00 0.00 178.44 178.98 1x93 h ARG 70 N 0.35 0.00 0.00 1.13 1.12 -1.32 -1.71 114.38 113.96 1x93 h ARG 70 Ca 0.09 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.86 1x93 h ARG 70 Cb 0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 1x93 h ARG 70 CO -0.00 0.00 -1.35 1.17 -3.11 0.00 0.00 179.97 176.68 1x93 n LYS 71 N -2.69 2.72 -0.07 0.20 4.81 -0.19 -4.69 118.16 118.25 1x93 n LYS 71 Ca -0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.32 1x93 n LYS 71 Cb 0.23 -1.13 -0.03 0.00 0.02 0.00 0.00 35.03 34.13 1x93 n LYS 71 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1x93 h ILE 72 N 0.00 1.11 0.00 3.15 2.04 -0.93 -3.52 117.51 119.36 1x93 h ILE 72 Ca -0.14 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1x93 h ILE 72 Cb 1.29 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1x93 h ILE 72 CO 0.00 0.11 0.00 1.21 0.00 0.00 0.00 178.15 179.47