#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 4.15 0.19 0.00 0.04 -1.26 -5.04 135.00 133.09 1v54 s PRO 7 Ca 0.00 2.52 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 1v54 s PRO 7 Cb 0.00 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 31.07 1v54 s PRO 7 CO 0.00 -0.79 0.26 -0.40 0.04 0.00 0.00 177.00 176.11 1v54 n ASP 8 N 5.37 0.30 -0.23 6.66 3.85 -1.26 -4.84 116.55 126.39 1v54 n ASP 8 Ca 0.17 -1.26 0.02 0.00 -0.71 0.00 0.00 54.79 53.01 1v54 n ASP 8 Cb 0.38 -0.17 0.14 0.00 -1.35 0.00 0.00 41.12 40.12 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 -0.54 0.46 -0.43 2.11 3.57 -1.99 -1.85 116.94 118.28 1v54 h PHE 9 Ca -0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 1v54 h PHE 9 Cb 0.30 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1v54 h PHE 9 CO 0.00 0.10 -0.04 0.45 -2.23 0.00 0.00 178.31 176.59 1v54 h HIS 10 N 0.44 0.76 -0.26 0.41 3.86 -1.94 0.32 115.15 118.75 1v54 h HIS 10 Ca 0.35 -0.11 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 1v54 h HIS 10 Cb 0.47 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 1v54 h HIS 10 CO -0.16 0.74 -0.25 -0.44 0.86 0.00 0.00 177.93 178.67 1v54 h ASP 11 N 0.67 0.67 0.07 2.45 3.32 -1.80 0.16 116.42 121.95 1v54 h ASP 11 Ca 0.13 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 1v54 h ASP 11 Cb 0.46 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1v54 h ASP 11 CO 0.02 1.00 -0.03 0.11 -1.72 0.00 0.00 179.24 178.62 1v54 h LYS 12 N 0.34 -0.09 -0.01 3.56 1.57 -1.12 -3.40 116.57 117.43 1v54 h LYS 12 Ca 0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1v54 h LYS 12 Cb 0.81 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1v54 h LYS 12 CO 0.06 0.43 -0.31 0.66 -0.57 0.00 0.00 179.45 179.72 1v54 n TYR 13 N -4.86 0.00 -0.07 -1.35 4.01 0.11 -4.77 117.16 110.23 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 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.25 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 2.76 -0.70 0.94 2.72 0.00 -0.74 -1.04 103.07 107.01 1v54 h GLY 14 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 47.33 47.95 1v54 h GLY 14 CO 0.00 -0.19 0.55 3.43 0.00 0.00 0.00 176.54 180.33 1v54 h ASN 15 N -0.42 0.84 -0.16 0.19 2.35 -1.86 -1.27 115.58 115.25 1v54 h ASN 15 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1v54 h ASN 15 Cb 0.61 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1v54 h ASN 15 CO -0.50 0.55 -0.10 0.00 -1.65 0.00 0.00 177.43 175.73 1v54 h ALA 16 N 1.54 0.22 -0.67 -0.83 0.00 -1.77 -1.53 119.26 116.22 1v54 h ALA 16 Ca 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1v54 h ALA 16 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1v54 h ALA 16 CO -0.12 0.05 0.38 0.28 0.00 0.00 0.00 179.25 179.84 1v54 h VAL 17 N 0.00 1.20 -0.21 0.00 2.07 -0.81 -0.42 116.25 118.08 1v54 h VAL 17 Ca 0.03 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1v54 h VAL 17 Cb 0.59 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1v54 h VAL 17 CO 0.03 0.22 0.02 0.25 0.02 0.00 0.00 177.57 178.11 1v54 h LEU 18 N 0.92 0.34 0.51 2.57 5.85 -1.23 -1.13 115.31 123.14 1v54 h LEU 18 Ca 0.24 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1v54 h LEU 18 Cb 0.01 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1v54 h LEU 18 CO -0.04 0.54 -0.24 0.00 -0.34 0.00 0.00 178.44 178.35 1v54 h ALA 19 N 0.82 -0.68 0.00 1.25 0.00 -1.05 -1.62 119.26 117.97 1v54 h ALA 19 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1v54 h ALA 19 Cb 0.35 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1v54 h ALA 19 CO 0.01 -0.80 0.00 0.66 0.00 0.00 0.00 179.25 179.12 1v54 h SER 20 N -0.85 0.00 -0.01 0.00 4.64 -1.16 -1.94 113.55 114.24 1v54 h SER 20 Ca -0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 1v54 h SER 20 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1v54 h SER 20 CO 0.11 0.00 -0.30 1.23 -0.87 0.00 0.00 176.83 177.00 1v54 h GLY 21 N 3.18 0.24 0.98 -0.77 0.00 -1.15 -2.24 103.07 103.31 1v54 h GLY 21 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1v54 h GLY 21 CO 0.00 0.36 0.27 0.00 0.00 0.00 0.00 176.54 177.17 1v54 h ALA 22 N 0.28 0.69 0.04 3.60 0.00 -1.21 -1.77 119.26 120.89 1v54 h ALA 22 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1v54 h ALA 22 Cb 1.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1v54 h ALA 22 CO 0.06 0.23 -0.02 1.15 0.00 0.00 0.00 179.25 180.67 1v54 h THR 23 N 0.72 0.97 -0.33 0.00 2.02 -1.41 -1.79 112.91 113.08 1v54 h THR 23 Ca 0.19 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1v54 h THR 23 Cb 0.09 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1v54 h THR 23 CO -0.03 0.01 0.21 0.15 0.37 0.00 0.00 175.52 176.23 1v54 h PHE 24 N -0.06 0.39 0.18 3.16 3.57 -1.32 -1.06 116.94 121.79 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 0.05 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1v54 h PHE 24 CO -0.07 0.24 -0.21 0.00 -2.23 0.00 0.00 178.31 176.04 1v54 h VAL 26 N -0.43 1.09 0.23 0.00 2.07 -1.24 -1.69 116.25 116.28 1v54 h VAL 26 Ca 0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1v54 h VAL 26 Cb 0.42 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1v54 h VAL 26 CO -0.07 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.51 1v54 h ALA 27 N 1.17 -0.31 -0.25 1.67 0.00 -0.98 -1.27 119.26 119.28 1v54 h ALA 27 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1v54 h ALA 27 Cb -0.05 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1v54 h ALA 27 CO -0.05 -0.65 -0.23 -0.24 0.00 0.00 0.00 179.25 178.08 1v54 h VAL 28 N -0.34 1.26 -0.22 0.00 3.04 -1.13 -1.42 116.25 117.43 1v54 h VAL 28 Ca -0.03 -1.21 -0.19 0.00 -1.01 0.00 0.00 66.70 64.26 1v54 h VAL 28 Cb 0.26 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1v54 h VAL 28 CO 0.05 0.39 -0.59 -0.50 -1.01 0.00 0.00 177.57 175.91 1v54 h TRP 29 N 0.42 1.01 -0.72 3.17 4.06 -1.24 -0.71 115.95 121.94 1v54 h TRP 29 Ca 0.06 -0.40 -0.05 0.00 2.06 0.00 0.00 58.89 60.57 1v54 h TRP 29 Cb 0.63 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 1v54 h TRP 29 CO 0.02 1.21 0.26 0.28 -3.56 0.00 0.00 178.44 176.65 1v54 h VAL 30 N 0.53 1.25 -0.12 1.49 2.07 -1.11 -0.47 116.25 119.88 1v54 h VAL 30 Ca -0.01 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1v54 h VAL 30 Cb 1.21 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1v54 h VAL 30 CO 0.13 0.33 0.02 0.22 0.02 0.00 0.00 177.57 178.29 1v54 h TYR 31 N 1.06 0.20 -0.92 1.57 5.03 -1.12 -2.09 116.97 120.70 1v54 h TYR 31 Ca 0.24 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.53 1v54 h TYR 31 Cb 0.24 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 1v54 h TYR 31 CO 0.02 0.37 0.58 1.98 -1.32 0.00 0.00 178.16 179.79 1v54 h MET 32 N -0.02 1.22 0.00 1.82 4.05 -0.85 0.52 114.93 121.67 1v54 h MET 32 Ca 0.04 -0.09 -0.09 0.00 -0.28 0.00 0.00 59.70 59.28 1v54 h MET 32 Cb 0.27 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1v54 h MET 32 CO 0.00 0.83 -0.43 0.00 0.23 0.00 0.00 176.91 177.54 1v54 h ALA 33 N 1.39 0.92 0.00 0.39 0.00 -0.94 -3.37 119.26 117.65 1v54 h ALA 33 Ca 0.33 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1v54 h ALA 33 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1v54 h ALA 33 CO -0.07 0.53 -0.29 0.25 0.00 0.00 0.00 179.25 179.68 1v54 n THR 34 N -3.48 0.00 0.13 0.00 -2.24 -0.80 -4.79 114.28 103.09 1v54 n THR 34 Ca 0.00 -0.32 0.04 0.00 -2.27 0.00 0.00 64.05 61.50 1v54 n THR 34 Cb 0.56 0.83 0.06 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.06 1.26 -0.05 -0.78 1.13 0.16 -4.68 117.38 113.36 1v54 n GLN 35 Ca 0.00 -1.34 0.03 0.00 -1.94 0.00 0.00 57.00 53.75 1v54 n GLN 35 Cb 0.00 -1.16 0.05 0.00 0.11 0.00 0.00 30.24 29.25 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 0.31 1.24 -0.74 5.09 -5.35 -1.26 -5.00 119.36 113.66 1v54 n ILE 36 Ca 0.06 -1.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.23 1v54 n ILE 36 Cb 0.26 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 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 -0.62 0.54 3.72 3.28 0.00 -1.26 -5.03 105.19 105.82 1v54 n GLY 37 Ca 0.05 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 3.86 -0.47 -0.61 1.01 -1.26 -4.99 121.20 116.74 1v54 s ILE 38 Ca 0.00 1.41 -0.19 0.00 0.00 0.00 0.00 60.65 61.87 1v54 s ILE 38 Cb 0.00 -3.90 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1v54 s ILE 38 CO 0.00 0.15 0.60 -0.70 0.00 0.00 0.00 174.94 174.99 1v54 s GLU 39 N 0.58 3.17 0.29 2.79 2.56 -1.26 -4.90 118.70 121.93 1v54 s GLU 39 Ca 0.57 -0.70 0.19 0.00 0.00 0.00 0.00 54.97 55.03 1v54 s GLU 39 Cb -0.31 -4.03 0.12 0.00 2.00 0.00 0.00 34.13 31.92 1v54 s GLU 39 CO 0.32 -1.09 1.37 -1.49 -0.56 0.00 0.00 175.26 173.80 1v54 h TRP 40 N 8.92 0.00 -5.87 5.30 4.06 -1.95 -3.48 115.95 122.92 1v54 h TRP 40 Ca -0.27 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.36 1v54 h TRP 40 Cb 1.10 0.00 0.12 0.00 -1.00 0.00 0.00 29.16 29.38 1v54 h TRP 40 CO 0.72 0.28 -0.84 -1.71 -3.56 0.00 0.00 178.44 173.33 1v54 n ASN 41 N -3.07 -6.05 -4.41 -3.49 5.15 -1.26 -4.98 115.26 97.15 1v54 n ASN 41 Ca 0.01 -0.82 -0.29 0.00 -0.60 0.00 0.00 54.58 52.87 1v54 n ASN 41 Cb 0.66 -4.21 0.19 0.00 -0.53 0.00 0.00 39.78 35.88 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 -5.09 0.09 0.33 1.20 0.04 -1.26 -4.98 135.00 125.32 1v54 s PRO 42 Ca 0.42 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1v54 s PRO 42 Cb -0.11 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 1v54 s PRO 42 CO 0.81 -2.89 1.38 0.45 0.04 0.00 0.00 177.00 176.78 1v54 s SER 43 N -3.84 6.64 0.39 6.66 0.15 -1.26 -4.91 113.70 117.53 1v54 s SER 43 Ca 0.67 2.78 0.18 0.00 0.70 0.00 0.00 55.95 60.28 1v54 s SER 43 Cb -0.14 -2.65 0.79 0.00 -1.71 0.00 0.00 66.02 62.31 1v54 s SER 43 CO 0.56 -0.65 1.80 -0.65 1.20 0.00 0.00 173.24 175.50 1v54 h PRO 44 N 3.61 0.00 -6.13 5.44 0.11 -1.96 -3.42 132.00 129.66 1v54 h PRO 44 Ca -0.49 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 64.91 1v54 h PRO 44 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1v54 h PRO 44 CO 0.68 0.35 1.03 0.28 -0.21 0.00 0.00 178.00 180.13 1v54 n VAL 45 N -3.72 0.31 0.00 3.15 0.31 -1.26 -0.33 118.33 116.80 1v54 n VAL 45 Ca -0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1v54 n VAL 45 Cb 0.45 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 4.72 2.82 0.02 2.92 0.00 -1.26 -4.77 105.19 109.65 1v54 n GLY 46 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 2.80 -3.84 1.61 1.85 0.55 -5.04 116.66 112.61 1v54 n ARG 47 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 1v54 n ARG 47 Cb 0.00 -1.09 -0.07 0.00 -1.05 0.00 0.00 32.46 30.26 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 -2.08 5.42 -0.41 8.89 1.01 0.14 -5.06 120.40 128.31 1v54 s VAL 48 Ca -0.02 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1v54 s VAL 48 Cb 0.01 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1v54 s VAL 48 CO 0.13 0.55 0.43 -0.89 0.00 0.00 0.00 175.10 175.31 1v54 s THR 49 N -0.46 5.10 0.13 3.92 2.01 -1.26 -4.90 115.64 120.17 1v54 s THR 49 Ca 0.12 -0.28 -0.35 0.00 0.31 0.00 0.00 61.69 61.49 1v54 s THR 49 Cb -0.12 -4.01 -0.15 0.00 0.01 0.00 0.00 72.50 68.23 1v54 s THR 49 CO 0.02 -0.37 1.41 -2.65 -0.69 0.00 0.00 174.62 172.33 1v54 n PRO 50 N 5.57 1.54 -4.73 4.92 -0.02 -1.26 -5.00 135.00 136.03 1v54 n PRO 50 Ca -0.07 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.66 1v54 n PRO 50 Cb 0.48 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.51 1.87 0.21 -0.52 2.20 -1.26 -5.10 119.74 117.65 1v54 s LYS 51 Ca 0.81 -1.09 -0.32 0.00 -0.36 0.00 0.00 55.97 55.01 1v54 s LYS 51 Cb -0.84 -2.06 -0.14 0.00 -1.51 0.00 0.00 37.83 33.29 1v54 s LYS 51 CO 0.44 0.52 1.40 0.39 -0.36 0.00 0.00 175.35 177.74 1v54 n GLU 52 N 1.55 1.92 -0.01 4.03 -0.58 -1.26 -4.91 120.64 121.38 1v54 n GLU 52 Ca -0.17 0.69 -0.01 0.00 -0.42 0.00 0.00 57.16 57.25 1v54 n GLU 52 Cb 0.52 -2.34 -0.01 0.00 -0.57 0.00 0.00 31.44 29.04 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 2.12 0.00 0.83 -0.32 4.27 -1.26 -5.33 117.44 117.75 1v54 n TRP 53 Ca 0.13 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.81 1v54 n TRP 53 Cb 0.30 -0.06 0.40 0.00 -1.36 0.00 0.00 31.31 30.58 1v54 n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27