#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s PRO 7 N 0.00 4.16 0.32 0.00 0.04 -1.26 -5.04 135.00 133.22 1v54 s PRO 7 Ca 0.00 2.51 -0.03 0.00 0.04 0.00 0.00 61.00 63.52 1v54 s PRO 7 Cb 0.00 -3.42 0.07 0.00 0.04 0.00 0.00 34.50 31.19 1v54 s PRO 7 CO 0.00 -0.76 0.44 -0.40 0.04 0.00 0.00 177.00 176.32 1v54 n ASP 8 N 5.05 0.34 -0.26 6.66 3.85 -1.26 -4.84 116.55 126.10 1v54 n ASP 8 Ca 0.16 -1.35 0.02 0.00 -0.71 0.00 0.00 54.79 52.91 1v54 n ASP 8 Cb 0.38 -0.31 0.15 0.00 -1.35 0.00 0.00 41.12 39.99 1v54 n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1v54 h PHE 9 N -0.79 0.69 -0.42 2.11 3.57 -1.99 -1.94 116.94 118.17 1v54 h PHE 9 Ca -0.14 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 1v54 h PHE 9 Cb 0.47 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1v54 h PHE 9 CO 0.00 0.26 -0.05 0.45 -2.23 0.00 0.00 178.31 176.73 1v54 h HIS 10 N 0.65 0.77 -0.25 0.41 -0.00 -1.94 0.30 115.15 115.09 1v54 h HIS 10 Ca 0.36 -0.12 -0.13 0.00 -0.00 0.00 0.00 60.37 60.49 1v54 h HIS 10 Cb 0.37 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1v54 h HIS 10 CO -0.10 0.75 -0.35 -0.44 -0.00 0.00 0.00 177.93 177.79 1v54 h ASP 11 N 0.66 0.75 0.18 2.45 3.32 -1.81 0.13 116.42 122.10 1v54 h ASP 11 Ca 0.12 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1v54 h ASP 11 Cb 0.49 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1v54 h ASP 11 CO 0.03 1.11 -0.09 0.11 -1.72 0.00 0.00 179.24 178.68 1v54 h LYS 12 N 0.41 -0.24 -0.01 3.56 1.57 -1.16 -3.39 116.57 117.31 1v54 h LYS 12 Ca 0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1v54 h LYS 12 Cb 0.94 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1v54 h LYS 12 CO 0.08 0.17 -0.17 0.66 -0.57 0.00 0.00 179.45 179.62 1v54 n TYR 13 N -4.98 0.00 -0.05 -1.35 4.01 0.10 -4.76 117.16 110.14 1v54 n TYR 13 Ca -0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.54 1v54 n TYR 13 Cb 0.26 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 1v54 n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1v54 h GLY 14 N 2.67 -0.69 0.68 2.72 0.00 -0.79 -1.02 103.07 106.64 1v54 h GLY 14 Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 47.33 47.95 1v54 h GLY 14 CO 0.00 -0.20 0.64 3.43 0.00 0.00 0.00 176.54 180.41 1v54 h ASN 15 N -0.44 1.01 -0.14 0.19 2.35 -1.86 -1.48 115.58 115.22 1v54 h ASN 15 Ca 0.09 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1v54 h ASN 15 Cb 0.61 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1v54 h ASN 15 CO -0.47 0.62 -0.05 0.00 -1.65 0.00 0.00 177.43 175.88 1v54 h ALA 16 N 1.47 0.19 -0.64 -0.83 0.00 -1.78 -1.64 119.26 116.02 1v54 h ALA 16 Ca 0.45 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1v54 h ALA 16 Cb 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1v54 h ALA 16 CO -0.19 -0.04 0.41 0.28 0.00 0.00 0.00 179.25 179.71 1v54 h VAL 17 N -0.05 1.12 -0.08 0.00 2.07 -0.84 -0.10 116.25 118.35 1v54 h VAL 17 Ca 0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1v54 h VAL 17 Cb 0.50 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1v54 h VAL 17 CO 0.02 0.15 0.03 0.25 0.02 0.00 0.00 177.57 178.03 1v54 h LEU 18 N 0.82 0.12 0.36 2.57 5.85 -1.27 -0.77 115.31 123.00 1v54 h LEU 18 Ca 0.25 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1v54 h LEU 18 Cb -0.04 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1v54 h LEU 18 CO -0.08 0.29 -0.17 0.00 -0.34 0.00 0.00 178.44 178.14 1v54 h ALA 19 N 0.84 -0.49 0.00 1.25 0.00 -1.07 -1.36 119.26 118.44 1v54 h ALA 19 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1v54 h ALA 19 Cb 0.21 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1v54 h ALA 19 CO -0.00 -0.70 0.00 0.66 0.00 0.00 0.00 179.25 179.21 1v54 h SER 20 N -0.64 0.00 -0.00 0.00 4.64 -1.09 -1.96 113.55 114.49 1v54 h SER 20 Ca -0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1v54 h SER 20 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1v54 h SER 20 CO 0.08 0.00 -0.36 1.23 -0.87 0.00 0.00 176.83 176.91 1v54 h GLY 21 N 2.95 0.27 1.04 -0.77 0.00 -1.05 -2.03 103.07 103.49 1v54 h GLY 21 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1v54 h GLY 21 CO 0.00 0.42 0.21 0.00 0.00 0.00 0.00 176.54 177.18 1v54 h ALA 22 N 0.28 0.92 0.05 3.60 0.00 -1.19 -1.67 119.26 121.25 1v54 h ALA 22 Ca -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1v54 h ALA 22 Cb 1.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1v54 h ALA 22 CO 0.07 0.60 -0.02 1.15 0.00 0.00 0.00 179.25 181.05 1v54 h THR 23 N 1.04 1.01 -0.33 0.00 2.02 -1.39 -1.95 112.91 113.30 1v54 h THR 23 Ca 0.23 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1v54 h THR 23 Cb 0.31 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1v54 h THR 23 CO -0.01 0.05 0.19 0.15 0.37 0.00 0.00 175.52 176.28 1v54 h PHE 24 N -0.15 0.36 0.18 3.16 3.57 -1.27 -1.25 116.94 121.54 1v54 h PHE 24 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1v54 h PHE 24 Cb 0.13 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1v54 h PHE 24 CO -0.05 0.22 -0.23 0.00 -2.23 0.00 0.00 178.31 176.02 1v54 h VAL 26 N -0.47 1.16 0.40 0.00 2.07 -1.27 -1.84 116.25 116.30 1v54 h VAL 26 Ca 0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1v54 h VAL 26 Cb 0.46 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1v54 h VAL 26 CO -0.09 0.15 -0.19 0.00 0.02 0.00 0.00 177.57 177.46 1v54 h ALA 27 N 1.21 -0.54 -0.09 1.67 0.00 -0.98 -1.51 119.26 119.01 1v54 h ALA 27 Ca 0.21 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1v54 h ALA 27 Cb -0.08 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1v54 h ALA 27 CO -0.04 -0.78 -0.37 -0.24 0.00 0.00 0.00 179.25 177.81 1v54 h VAL 28 N -0.60 1.29 -0.21 0.00 3.04 -1.10 -1.71 116.25 116.96 1v54 h VAL 28 Ca -0.06 -1.41 -0.20 0.00 -1.01 0.00 0.00 66.70 64.03 1v54 h VAL 28 Cb 0.45 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1v54 h VAL 28 CO 0.09 0.42 -0.65 -0.50 -1.01 0.00 0.00 177.57 175.92 1v54 h TRP 29 N 0.17 1.01 -0.56 3.17 4.06 -1.28 -0.64 115.95 121.88 1v54 h TRP 29 Ca 0.02 -0.40 -0.07 0.00 2.06 0.00 0.00 58.89 60.50 1v54 h TRP 29 Cb 0.74 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 1v54 h TRP 29 CO 0.01 1.21 0.05 0.28 -3.56 0.00 0.00 178.44 176.44 1v54 h VAL 30 N 0.57 1.25 0.08 1.49 2.07 -1.16 -0.31 116.25 120.24 1v54 h VAL 30 Ca -0.01 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1v54 h VAL 30 Cb 1.25 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1v54 h VAL 30 CO 0.13 0.36 -0.04 0.22 0.02 0.00 0.00 177.57 178.27 1v54 h TYR 31 N 0.85 -0.10 -0.96 1.57 5.03 -1.13 -1.95 116.97 120.27 1v54 h TYR 31 Ca 0.17 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.49 1v54 h TYR 31 Cb 0.43 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.69 1v54 h TYR 31 CO 0.03 0.09 0.64 1.98 -1.32 0.00 0.00 178.16 179.58 1v54 h MET 32 N -0.28 1.25 0.00 1.82 4.05 -0.87 0.76 114.93 121.66 1v54 h MET 32 Ca -0.01 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.24 1v54 h MET 32 Cb 0.24 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1v54 h MET 32 CO 0.02 0.83 -0.45 0.00 0.23 0.00 0.00 176.91 177.54 1v54 h ALA 33 N 1.41 1.06 0.00 0.39 0.00 -0.91 -3.37 119.26 117.83 1v54 h ALA 33 Ca 0.36 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1v54 h ALA 33 Cb -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1v54 h ALA 33 CO -0.08 0.56 -0.73 0.25 0.00 0.00 0.00 179.25 179.25 1v54 n THR 34 N -3.71 0.00 0.23 0.00 -2.24 -0.75 -4.80 114.28 103.02 1v54 n THR 34 Ca -0.01 -0.11 0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1v54 n THR 34 Cb 0.52 0.60 0.10 0.00 -2.10 0.00 0.00 70.33 69.45 1v54 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v54 n GLN 35 N -1.32 1.56 -0.05 -0.78 1.13 0.24 -4.68 117.38 113.49 1v54 n GLN 35 Ca 0.00 -1.58 0.03 0.00 -1.94 0.00 0.00 57.00 53.51 1v54 n GLN 35 Cb 0.00 -1.26 0.05 0.00 0.11 0.00 0.00 30.24 29.14 1v54 n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1v54 n ILE 36 N 0.66 1.23 -0.97 5.09 -5.35 -1.26 -5.00 119.36 113.77 1v54 n ILE 36 Ca 0.09 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1v54 n ILE 36 Cb 0.36 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1v54 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1v54 n GLY 37 N -0.59 0.56 3.71 3.28 0.00 -1.26 -5.03 105.19 105.85 1v54 n GLY 37 Ca 0.05 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1v54 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v54 s ILE 38 N -2.00 4.31 -0.49 -0.61 1.01 -1.26 -4.99 121.20 117.17 1v54 s ILE 38 Ca 0.00 1.66 -0.20 0.00 0.00 0.00 0.00 60.65 62.11 1v54 s ILE 38 Cb 0.00 -4.06 0.04 0.00 0.01 0.00 0.00 42.46 38.45 1v54 s ILE 38 CO 0.00 0.12 0.67 -0.70 0.00 0.00 0.00 174.94 175.04 1v54 s GLU 39 N 1.08 3.20 0.32 2.79 2.56 -1.26 -4.90 118.70 122.49 1v54 s GLU 39 Ca 0.56 -0.62 0.20 0.00 0.00 0.00 0.00 54.97 55.11 1v54 s GLU 39 Cb -0.27 -4.04 0.16 0.00 2.00 0.00 0.00 34.13 31.98 1v54 s GLU 39 CO 0.29 -1.18 1.41 -1.49 -0.56 0.00 0.00 175.26 173.73 1v54 h TRP 40 N 8.99 0.00 -6.05 5.30 4.06 -1.95 -3.48 115.95 122.82 1v54 h TRP 40 Ca -0.27 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.33 1v54 h TRP 40 Cb 1.09 0.00 0.08 0.00 -1.00 0.00 0.00 29.16 29.34 1v54 h TRP 40 CO 0.76 0.23 -0.82 -1.71 -3.56 0.00 0.00 178.44 173.34 1v54 n ASN 41 N -3.07 -5.83 -4.72 -3.49 5.15 -1.26 -4.98 115.26 97.06 1v54 n ASN 41 Ca 0.02 -0.84 -0.29 0.00 -0.60 0.00 0.00 54.58 52.87 1v54 n ASN 41 Cb 0.63 -3.75 0.16 0.00 -0.53 0.00 0.00 39.78 36.30 1v54 n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1v54 s PRO 42 N -5.25 0.66 0.33 1.20 0.04 -1.26 -4.98 135.00 125.74 1v54 s PRO 42 Ca 0.37 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1v54 s PRO 42 Cb -0.12 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 1v54 s PRO 42 CO 0.83 -2.55 1.39 0.45 0.04 0.00 0.00 177.00 177.16 1v54 s SER 43 N -3.68 6.61 0.50 6.66 0.15 -1.26 -4.90 113.70 117.77 1v54 s SER 43 Ca 0.65 2.80 0.29 0.00 0.70 0.00 0.00 55.95 60.39 1v54 s SER 43 Cb -0.17 -2.65 1.07 0.00 -1.71 0.00 0.00 66.02 62.56 1v54 s SER 43 CO 0.56 -0.68 1.88 -0.65 1.20 0.00 0.00 173.24 175.55 1v54 h PRO 44 N 3.57 0.00 -6.22 5.44 0.11 -1.96 -3.42 132.00 129.52 1v54 h PRO 44 Ca -0.49 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.95 1v54 h PRO 44 Cb 1.23 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 1v54 h PRO 44 CO 0.67 0.09 1.00 0.28 -0.21 0.00 0.00 178.00 179.83 1v54 n VAL 45 N -3.20 0.44 0.00 3.15 0.31 -1.26 -0.39 118.33 117.38 1v54 n VAL 45 Ca 0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1v54 n VAL 45 Cb 0.38 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1v54 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v54 n GLY 46 N 4.28 2.86 0.02 2.92 0.00 -1.26 -4.77 105.19 109.25 1v54 n GLY 46 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 1v54 n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1v54 n ARG 47 N -1.99 2.31 -3.80 1.61 1.85 0.47 -5.04 116.66 112.07 1v54 n ARG 47 Ca 0.00 0.01 -0.37 0.00 -1.00 0.00 0.00 57.85 56.49 1v54 n ARG 47 Cb 0.00 -1.11 -0.06 0.00 -1.05 0.00 0.00 32.46 30.24 1v54 n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1v54 s VAL 48 N -2.11 5.44 -0.45 8.89 1.01 -0.01 -5.06 120.40 128.11 1v54 s VAL 48 Ca -0.04 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 1v54 s VAL 48 Cb 0.01 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1v54 s VAL 48 CO 0.16 0.57 0.56 -0.89 0.00 0.00 0.00 175.10 175.50 1v54 s THR 49 N -0.68 4.94 0.19 3.92 2.01 -1.26 -4.90 115.64 119.86 1v54 s THR 49 Ca 0.14 -0.25 -0.33 0.00 0.31 0.00 0.00 61.69 61.57 1v54 s THR 49 Cb -0.12 -4.17 -0.14 0.00 0.01 0.00 0.00 72.50 68.07 1v54 s THR 49 CO 0.04 -0.59 1.41 -2.65 -0.69 0.00 0.00 174.62 172.13 1v54 n PRO 50 N 5.98 1.81 -4.75 4.92 -0.02 -1.26 -4.99 135.00 136.68 1v54 n PRO 50 Ca -0.05 0.65 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 1v54 n PRO 50 Cb 0.47 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1v54 n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1v54 s LYS 51 N 0.08 2.03 0.21 -0.52 2.20 -1.26 -5.09 119.74 117.38 1v54 s LYS 51 Ca 0.74 -1.00 -0.32 0.00 -0.36 0.00 0.00 55.97 55.03 1v54 s LYS 51 Cb -0.73 -2.14 -0.14 0.00 -1.51 0.00 0.00 37.83 33.31 1v54 s LYS 51 CO 0.46 0.54 1.45 0.39 -0.36 0.00 0.00 175.35 177.83 1v54 n GLU 52 N 1.68 2.02 -0.00 4.03 -0.58 -1.26 -4.91 120.64 121.62 1v54 n GLU 52 Ca -0.16 0.72 -0.01 0.00 -0.42 0.00 0.00 57.16 57.29 1v54 n GLU 52 Cb 0.52 -2.41 -0.01 0.00 -0.57 0.00 0.00 31.44 28.97 1v54 n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1v54 n TRP 53 N 2.38 0.00 0.76 -0.32 4.27 -1.26 -5.33 117.44 117.94 1v54 n TRP 53 Ca 0.14 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.81 1v54 n TRP 53 Cb 0.30 -0.05 0.36 0.00 -1.36 0.00 0.00 31.31 30.56 1v54 n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27