#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fga h SER 51 N 0.00 -0.00 -1.18 2.55 0.87 -2.05 -3.34 113.55 110.39 3fga h SER 51 Ca 0.00 0.00 0.34 0.00 -1.23 0.00 0.00 61.79 60.90 3fga h SER 51 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 3fga h SER 51 CO 0.00 0.00 0.84 0.74 -0.53 0.00 0.00 176.83 177.88 3fga h THR 52 N -0.01 0.41 0.16 2.23 2.02 -2.05 0.35 112.91 116.02 3fga h THR 52 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3fga h THR 52 Cb 0.00 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3fga h THR 52 CO 0.00 0.01 -0.15 0.25 0.37 0.00 0.00 175.52 176.00 3fga h LEU 53 N 0.06 -0.41 -0.09 2.58 7.12 -2.00 0.47 115.31 123.04 3fga h LEU 53 Ca 0.58 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.63 3fga h LEU 53 Cb 2.19 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 42.46 3fga h LEU 53 CO -0.06 -0.23 0.05 0.25 -0.13 0.00 0.00 178.44 178.32 3fga h LEU 54 N -0.34 0.11 -1.70 2.25 6.46 -1.07 -1.99 115.31 119.03 3fga h LEU 54 Ca 0.00 -0.10 0.21 0.00 -0.12 0.00 0.00 57.88 57.87 3fga h LEU 54 Cb 0.32 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 3fga h LEU 54 CO -0.04 0.18 0.58 0.50 -0.62 0.00 0.00 178.44 179.04 3fga h LYS 55 N 0.04 0.25 0.25 1.25 1.63 -1.11 -0.94 116.57 117.94 3fga h LYS 55 Ca 0.03 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3fga h LYS 55 Cb 0.10 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3fga h LYS 55 CO -0.00 0.16 -0.12 -0.91 -3.45 0.00 0.00 179.45 175.13 3fga h ASN 56 N 0.26 -0.28 -1.37 4.20 -0.26 0.55 -2.84 115.58 115.83 3fga h ASN 56 Ca 0.43 -0.23 0.41 0.00 -0.56 0.00 0.00 56.30 56.35 3fga h ASN 56 Cb 1.26 0.07 -0.09 0.00 -1.06 0.00 0.00 38.32 38.51 3fga h ASN 56 CO -0.11 0.21 0.94 1.88 -1.06 0.00 0.00 177.43 179.29 3fga h TYR 57 N -0.92 0.30 0.53 1.19 -1.99 -1.02 0.13 116.97 115.18 3fga h TYR 57 Ca -0.03 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 3fga h TYR 57 Cb 0.50 -0.08 0.01 0.00 2.00 0.00 0.00 36.73 39.15 3fga h TYR 57 CO 0.05 -0.06 -0.25 0.37 -0.00 0.00 0.00 178.16 178.27 3fga h GLN 58 N 0.10 -0.68 -0.67 4.88 4.15 -1.09 -2.61 115.11 119.18 3fga h GLN 58 Ca 0.74 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 60.19 3fga h GLN 58 Cb 2.56 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 30.37 3fga h GLN 58 CO -0.20 -0.38 0.35 -0.44 -1.93 0.00 0.00 178.83 176.22 3fga h ASP 59 N -1.03 0.85 -0.03 -0.69 3.45 -1.10 -1.21 116.42 116.65 3fga h ASP 59 Ca -0.07 -0.11 0.01 0.00 0.43 0.00 0.00 57.03 57.28 3fga h ASP 59 Cb 0.62 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3fga h ASP 59 CO 0.12 0.72 0.30 0.78 -1.57 0.00 0.00 179.24 179.59 3fga h ASN 60 N 0.92 0.00 0.04 6.45 2.35 -0.80 -2.18 115.58 122.36 3fga h ASN 60 Ca 0.23 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.61 3fga h ASN 60 Cb 0.08 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3fga h ASN 60 CO -0.03 0.00 -2.21 0.59 -1.65 0.00 0.00 177.43 174.13 3fga n ASN 61 N -2.99 2.02 -0.28 5.81 4.13 -0.48 -2.29 115.26 121.19 3fga n ASN 61 Ca -0.01 0.09 0.10 0.00 1.68 0.00 0.00 54.58 56.44 3fga n ASN 61 Cb 0.36 -0.67 0.25 0.00 -1.54 0.00 0.00 39.78 38.18 3fga n ASN 61 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3fga h LYS 62 N -0.18 0.31 0.27 3.52 1.79 -1.41 -1.07 116.57 119.80 3fga h LYS 62 Ca -0.52 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 57.94 3fga h LYS 62 Cb 1.86 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 32.41 3fga h LYS 62 CO -0.08 0.21 -0.37 0.52 -1.08 0.00 0.00 179.45 178.64 3fga h MET 63 N 0.32 -0.68 -0.34 3.15 2.86 -1.47 -0.02 114.93 118.76 3fga h MET 63 Ca 0.50 0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 58.05 3fga h MET 63 Cb 0.92 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3fga h MET 63 CO -0.54 -0.45 -0.34 -0.07 1.06 0.00 0.00 176.91 176.57 3fga h LEU 64 N -0.70 0.88 0.42 1.22 3.38 -1.15 -2.27 115.31 117.09 3fga h LEU 64 Ca -0.01 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3fga h LEU 64 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3fga h LEU 64 CO -0.13 1.17 -0.20 0.58 0.09 0.00 0.00 178.44 179.95 3fga h VAL 65 N 0.61 0.59 -0.97 1.22 2.07 -1.16 0.97 116.25 119.57 3fga h VAL 65 Ca 0.05 -0.11 0.23 0.00 0.82 0.00 0.00 66.70 67.69 3fga h VAL 65 Cb 0.92 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 31.21 3fga h VAL 65 CO 0.08 0.02 0.54 -0.07 0.02 0.00 0.00 177.57 178.16 3fga h LEU 66 N -0.63 0.59 -0.10 2.57 3.38 -0.98 0.12 115.31 120.26 3fga h LEU 66 Ca -0.06 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3fga h LEU 66 Cb 0.47 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3fga h LEU 66 CO 0.10 0.10 -0.04 0.00 0.09 0.00 0.00 178.44 178.68 3fga h ALA 67 N 1.71 0.14 -0.66 1.53 0.00 -0.93 -0.83 119.26 120.21 3fga h ALA 67 Ca 0.61 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.39 3fga h ALA 67 Cb 1.12 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 3fga h ALA 67 CO -0.47 -0.10 0.21 1.25 0.00 0.00 0.00 179.25 180.14 3fga h LEU 68 N -0.16 0.14 -0.96 0.00 6.46 0.36 0.72 115.31 121.87 3fga h LEU 68 Ca 0.02 0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 3fga h LEU 68 Cb 0.49 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3fga h LEU 68 CO 0.01 0.07 -0.26 -0.08 -0.62 0.00 0.00 178.44 177.56 3fga h GLU 69 N 0.35 0.45 -0.30 1.25 4.57 -0.67 -0.48 114.58 119.75 3fga h GLU 69 Ca 0.35 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 3fga h GLU 69 Cb 0.51 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3fga h GLU 69 CO -0.39 0.68 -0.08 -0.97 -1.18 0.00 0.00 179.01 177.06 3fga h ASN 70 N 0.40 0.59 -0.66 1.04 -1.24 0.15 -1.99 115.58 113.87 3fga h ASN 70 Ca 0.06 -0.37 -0.07 0.00 0.71 0.00 0.00 56.30 56.62 3fga h ASN 70 Cb 0.67 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 3fga h ASN 70 CO 0.05 0.83 0.13 -0.33 -1.29 0.00 0.00 177.43 176.82 3fga h GLU 71 N 0.35 1.07 -0.81 6.67 4.39 -0.65 -2.48 114.58 123.12 3fga h GLU 71 Ca 0.07 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.54 3fga h GLU 71 Cb 0.58 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 3fga h GLU 71 CO 0.03 0.98 0.51 0.87 -1.16 0.00 0.00 179.01 180.24 3fga h LYS 72 N 1.00 0.94 -0.86 2.33 1.57 -1.06 0.03 116.57 120.51 3fga h LYS 72 Ca 0.20 -0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.05 3fga h LYS 72 Cb 0.40 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3fga h LYS 72 CO 0.01 0.62 0.56 1.03 -0.57 0.00 0.00 179.45 181.10 3fga h SER 73 N 0.97 0.67 0.83 0.86 0.87 -1.06 -2.91 113.55 113.78 3fga h SER 73 Ca 0.34 0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.72 3fga h SER 73 Cb 0.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3fga h SER 73 CO -0.14 0.36 -0.97 0.50 -0.53 0.00 0.00 176.83 176.06 3fga h LYS 74 N 0.72 0.07 -0.20 2.24 1.63 -0.58 -2.63 116.57 117.82 3fga h LYS 74 Ca 0.42 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 60.00 3fga h LYS 74 Cb 0.61 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 3fga h LYS 74 CO -0.18 0.98 -0.39 0.28 -3.45 0.00 0.00 179.45 176.68 3fga h VAL 75 N 0.03 1.30 -0.12 2.00 2.07 -1.15 -1.97 116.25 118.40 3fga h VAL 75 Ca -0.03 -1.53 -0.20 0.00 0.82 0.00 0.00 66.70 65.76 3fga h VAL 75 Cb 1.67 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3fga h VAL 75 CO 0.14 0.47 -0.75 0.50 0.02 0.00 0.00 177.57 177.95 3fga h LYS 76 N 0.39 0.61 -0.22 1.57 3.11 -1.42 -0.91 116.57 119.69 3fga h LYS 76 Ca 0.04 -0.49 -0.14 0.00 -2.81 0.00 0.00 60.65 57.25 3fga h LYS 76 Cb 0.86 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.18 3fga h LYS 76 CO 0.07 1.11 -0.44 0.93 -2.81 0.00 0.00 179.45 178.32 3fga h GLU 77 N 0.42 0.53 -0.33 1.90 5.08 -1.42 -2.56 114.58 118.20 3fga h GLU 77 Ca -0.04 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 57.91 3fga h GLU 77 Cb 1.35 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3fga h GLU 77 CO 0.14 0.87 -0.32 0.00 -1.00 0.00 0.00 179.01 178.70 3fga h ALA 78 N 1.09 0.81 -0.27 3.43 0.00 -1.24 -2.66 119.26 120.42 3fga h ALA 78 Ca 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fga h ALA 78 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3fga h ALA 78 CO 0.08 0.64 0.16 1.96 0.00 0.00 0.00 179.25 182.09 3fga h GLN 79 N 0.61 0.36 -0.20 0.00 4.20 -0.98 -1.23 115.11 117.87 3fga h GLN 79 Ca 0.07 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 3fga h GLN 79 Cb 0.85 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 3fga h GLN 79 CO 0.07 0.26 -0.60 -0.44 -0.67 0.00 0.00 178.83 177.45 3fga h ASP 80 N 0.37 0.77 -0.43 1.46 3.32 -1.19 -1.44 116.42 119.28 3fga h ASP 80 Ca 0.10 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 3fga h ASP 80 Cb -0.00 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3fga h ASP 80 CO -0.02 1.19 0.26 0.40 -1.72 0.00 0.00 179.24 179.35 3fga h ILE 81 N 0.51 1.14 -0.83 0.35 1.08 -1.10 -1.68 117.51 116.97 3fga h ILE 81 Ca -0.00 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 3fga h ILE 81 Cb 1.18 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 3fga h ILE 81 CO 0.12 0.14 0.43 0.40 -0.69 0.00 0.00 178.15 178.54 3fga h ILE 82 N 0.57 1.25 -0.30 -0.67 2.04 -1.12 -0.76 117.51 118.52 3fga h ILE 82 Ca 0.15 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3fga h ILE 82 Cb -0.00 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3fga h ILE 82 CO -0.03 0.29 0.05 0.25 0.00 0.00 0.00 178.15 178.71 3fga h LEU 83 N 1.17 0.47 -0.48 1.44 7.12 -1.08 -0.66 115.31 123.29 3fga h LEU 83 Ca 0.29 -0.26 0.04 0.00 0.13 0.00 0.00 57.88 58.09 3fga h LEU 83 Cb 0.08 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.04 3fga h LEU 83 CO -0.04 0.61 0.23 1.56 -0.13 0.00 0.00 178.44 180.67 3fga h GLN 84 N 0.31 0.45 -0.53 1.25 1.08 -0.96 -0.60 115.11 116.11 3fga h GLN 84 Ca 0.09 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.16 3fga h GLN 84 Cb 0.34 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 3fga h GLN 84 CO 0.01 0.30 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.03 3fga h LEU 85 N 0.46 1.00 -0.55 1.46 3.38 -1.02 0.40 115.31 120.43 3fga h LEU 85 Ca 0.21 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3fga h LEU 85 Cb 0.14 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3fga h LEU 85 CO -0.16 1.11 0.24 0.03 0.09 0.00 0.00 178.44 179.74 3fga h ARG 86 N 0.87 0.43 -0.96 1.13 2.47 -0.83 0.25 114.38 117.75 3fga h ARG 86 Ca 0.14 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.85 3fga h ARG 86 Cb 0.65 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 3fga h ARG 86 CO 0.04 0.28 0.64 -0.22 0.56 0.00 0.00 179.97 181.28 3fga h LYS 87 N 0.44 1.25 -0.23 0.04 3.64 -0.43 -2.35 116.57 118.94 3fga h LYS 87 Ca 0.26 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 3fga h LYS 87 Cb 0.26 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3fga h LYS 87 CO -0.23 0.83 -0.35 1.49 -2.27 0.00 0.00 179.45 178.91 3fga h GLU 88 N 1.29 0.64 -0.99 1.90 4.81 0.60 -1.07 114.58 121.76 3fga h GLU 88 Ca 0.36 -0.38 0.15 0.00 -0.13 0.00 0.00 59.36 59.35 3fga h GLU 88 Cb -0.13 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.20 3fga h GLU 88 CO -0.08 1.00 0.62 0.00 -0.73 0.00 0.00 179.01 179.81 3fga h TYR 90 N 0.86 -0.45 -0.81 0.00 3.20 -1.07 -1.30 116.97 117.40 3fga h TYR 90 Ca 0.52 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.51 3fga h TYR 90 Cb 0.68 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 3fga h TYR 90 CO -0.00 -0.12 0.53 1.88 -1.64 0.00 0.00 178.16 178.80 3fga h TYR 91 N -0.84 0.67 0.05 -3.82 0.05 -0.92 -1.82 116.97 110.34 3fga h TYR 91 Ca -0.05 0.02 -0.24 0.00 0.05 0.00 0.00 58.73 58.51 3fga h TYR 91 Cb 0.53 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 3fga h TYR 91 CO 0.02 0.27 -1.04 -0.07 -1.05 0.00 0.00 178.16 176.29 3fga h LEU 92 N 0.59 0.38 -0.70 3.88 3.38 -1.09 -3.11 115.31 118.64 3fga h LEU 92 Ca 0.39 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fga h LEU 92 Cb 0.69 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3fga h LEU 92 CO -0.15 1.20 -0.06 0.00 0.09 0.00 0.00 178.44 179.52 3fga h THR 93 N 0.12 0.12 0.00 0.22 1.03 -0.80 -3.00 112.91 110.60 3fga h THR 93 Ca -0.09 -0.90 -0.03 0.00 -0.01 0.00 0.00 66.41 65.38 3fga h THR 93 Cb 1.72 1.81 -0.00 0.00 -1.07 0.00 0.00 68.15 70.61 3fga h THR 93 CO 0.17 0.06 -0.17 0.00 -0.01 0.00 0.00 175.52 175.57 3fga n GLN 95 N -3.89 2.16 0.00 0.00 6.02 -1.13 -5.12 117.38 115.42 3fga n GLN 95 Ca -0.02 -3.09 0.13 0.00 -0.01 0.00 0.00 57.00 54.01 3fga n GLN 95 Cb 0.26 -2.02 0.36 0.00 1.02 0.00 0.00 30.24 29.86 3fga n GLN 95 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33