#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvz n LYS 2 N 0.00 0.00 -1.82 -0.78 4.81 -1.26 -5.13 118.16 113.99 1mvz n LYS 2 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1mvz n LYS 2 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1mvz n LYS 2 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1mvz s SER 3 N -2.00 6.41 -0.12 3.14 0.01 -1.26 -4.88 113.70 115.00 1mvz s SER 3 Ca 0.00 2.92 -0.36 0.00 1.31 0.00 0.00 55.95 59.82 1mvz s SER 3 Cb 0.00 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.46 1mvz s SER 3 CO 0.00 -0.88 1.79 0.41 0.41 0.00 0.00 173.24 174.98 1mvz n THR 4 N 1.93 0.42 -0.09 1.44 -1.04 -1.26 -4.27 114.28 111.42 1mvz n THR 4 Ca 0.07 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1mvz n THR 4 Cb 0.38 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1mvz n THR 4 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1mvz n THR 5 N 4.72 0.00 -1.32 12.58 -2.24 -1.26 -4.85 114.28 121.90 1mvz n THR 5 Ca 0.23 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.70 1mvz n THR 5 Cb 0.24 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.56 1mvz n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mvz s THR 6 N -0.01 3.24 -0.84 4.28 -4.23 -1.26 -4.07 115.64 112.75 1mvz s THR 6 Ca 0.00 0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 60.69 1mvz s THR 6 Cb 0.00 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 1mvz s THR 6 CO 0.00 -0.49 1.79 0.00 -0.54 0.00 0.00 174.62 175.38 1mvz s ALA 7 N -2.78 2.04 0.20 3.99 0.00 -1.26 -4.44 121.76 119.52 1mvz s ALA 7 Ca 0.63 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 1mvz s ALA 7 Cb -0.18 -4.47 -0.03 0.00 0.00 0.00 0.00 23.12 18.44 1mvz s ALA 7 CO 0.53 -4.27 0.21 0.00 0.00 0.00 0.00 175.76 172.23 1mvz n ASP 10 N 0.56 0.00 -4.55 0.00 4.64 -1.26 -2.01 116.55 113.93 1mvz n ASP 10 Ca -0.19 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 52.80 1mvz n ASP 10 Cb 0.59 -0.29 -0.06 0.00 -1.04 0.00 0.00 41.12 40.32 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1mvz s PHE 11 N -0.92 3.07 -0.55 -0.67 0.08 -1.26 -4.87 117.98 112.85 1mvz s PHE 11 Ca 0.00 0.19 0.07 0.00 0.12 0.00 0.00 56.93 57.31 1mvz s PHE 11 Cb 0.00 -3.41 0.26 0.00 -0.57 0.00 0.00 43.02 39.30 1mvz s PHE 11 CO 0.00 -0.84 0.69 0.00 -0.10 0.00 0.00 175.22 174.98 1mvz s PRO 13 N -2.15 2.28 0.08 0.00 0.04 -1.18 -4.72 135.00 129.34 1mvz s PRO 13 Ca 0.39 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.68 1mvz s PRO 13 Cb 0.17 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1mvz s PRO 13 CO -0.05 -1.64 -0.06 0.00 0.04 0.00 0.00 177.00 175.29 1mvz s THR 15 N -3.25 3.61 -0.33 0.00 -4.23 -0.05 -4.98 115.64 106.40 1mvz s THR 15 Ca 0.07 0.52 0.07 0.00 -1.18 0.00 0.00 61.69 61.17 1mvz s THR 15 Cb 0.03 -3.48 0.49 0.00 1.34 0.00 0.00 72.50 70.88 1mvz s THR 15 CO -0.05 -0.68 1.46 0.54 -0.54 0.00 0.00 174.62 175.35 1mvz n ARG 16 N -3.03 2.32 -1.82 3.99 1.74 -1.26 -4.36 116.66 114.23 1mvz n ARG 16 Ca 0.07 -3.44 -0.30 0.00 -0.77 0.00 0.00 57.85 53.41 1mvz n ARG 16 Cb 0.57 -1.97 0.18 0.00 -1.02 0.00 0.00 32.46 30.22 1mvz n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1mvz s SER 17 N -2.74 3.03 -0.21 0.55 1.04 -1.26 -4.96 113.70 109.15 1mvz s SER 17 Ca 0.48 0.38 -0.00 0.00 0.48 0.00 0.00 55.95 57.29 1mvz s SER 17 Cb 0.42 -0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.08 1mvz s SER 17 CO 0.00 -2.80 -0.04 -0.63 0.98 0.00 0.00 173.24 170.75 1mvz s ILE 18 N -3.74 1.28 0.73 -1.02 -1.09 -1.26 -2.04 121.20 114.06 1mvz s ILE 18 Ca 0.72 -0.95 -0.13 0.00 -2.23 0.00 0.00 60.65 58.06 1mvz s ILE 18 Cb -0.06 -1.54 0.04 0.00 -1.58 0.00 0.00 42.46 39.32 1mvz s ILE 18 CO 0.53 -0.04 1.11 -2.16 -1.23 0.00 0.00 174.94 173.15 1mvz s PRO 19 N 1.53 2.43 0.33 2.79 0.04 -1.26 -5.14 135.00 135.71 1mvz s PRO 19 Ca -0.03 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 1mvz s PRO 19 Cb -0.17 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1mvz s PRO 19 CO -0.07 -1.53 0.85 -1.25 0.04 0.00 0.00 177.00 175.05 1mvz s PRO 20 N -4.51 4.31 -0.10 0.56 0.04 -0.86 -5.00 135.00 129.43 1mvz s PRO 20 Ca 0.64 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1mvz s PRO 20 Cb -0.19 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1mvz s PRO 20 CO 0.50 0.21 -0.23 -0.65 0.04 0.00 0.00 177.00 176.86 1mvz s GLN 21 N -2.49 2.94 -0.01 4.56 1.11 -1.26 -4.46 119.66 120.05 1mvz s GLN 21 Ca 0.52 -0.85 0.01 0.00 0.01 0.00 0.00 55.36 55.05 1mvz s GLN 21 Cb -0.14 -2.23 -0.04 0.00 -1.01 0.00 0.00 33.01 29.59 1mvz s GLN 21 CO 0.19 0.17 0.02 0.00 0.01 0.00 0.00 175.29 175.69 1mvz s GLN 23 N -1.53 0.65 -0.20 0.00 -2.07 -0.73 -1.71 119.66 114.08 1mvz s GLN 23 Ca 0.20 -1.21 -0.06 0.00 -1.82 0.00 0.00 55.36 52.47 1mvz s GLN 23 Cb -0.12 0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1mvz s GLN 23 CO 0.10 -0.14 0.02 0.00 -1.32 0.00 0.00 175.29 173.95 1mvz n THR 25 N 4.08 0.00 -1.88 0.00 -2.24 -0.60 -4.66 114.28 108.97 1mvz n THR 25 Ca -0.17 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 1mvz n THR 25 Cb 0.52 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 69.15 1mvz n THR 25 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1mvz s ASP 26 N -3.11 6.01 -0.07 3.42 -4.77 -1.25 -5.00 116.67 111.90 1mvz s ASP 26 Ca -0.02 2.83 0.03 0.00 -3.30 0.00 0.00 52.55 52.08 1mvz s ASP 26 Cb 0.08 -2.65 -0.02 0.00 -1.09 0.00 0.00 42.92 39.24 1mvz s ASP 26 CO 0.50 -1.08 -0.14 -0.69 0.70 0.00 0.00 175.17 174.46 1mvz s VAL 27 N -1.23 3.05 0.00 2.11 1.01 -1.26 -4.60 120.40 119.49 1mvz s VAL 27 Ca 0.60 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1mvz s VAL 27 Cb -0.42 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1mvz s VAL 27 CO 0.54 0.57 0.00 -1.14 0.00 0.00 0.00 175.10 175.07 1mvz n ARG 28 N 2.63 0.00 0.00 2.72 0.63 -0.66 -5.01 116.66 116.97 1mvz n ARG 28 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1mvz n ARG 28 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1mvz n ARG 28 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1mvz n GLU 29 N 0.00 2.13 -0.85 -0.14 4.07 -1.26 -1.03 120.64 123.57 1mvz n GLU 29 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1mvz n GLU 29 Cb 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 31.44 31.53 1mvz n GLU 29 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1mvz n LYS 30 N 0.00 -0.21 -1.39 5.31 4.01 -1.26 -4.07 118.16 120.56 1mvz n LYS 30 Ca 0.00 0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.51 1mvz n LYS 30 Cb 0.00 -2.31 0.11 0.00 -0.51 0.00 0.00 35.03 32.33 1mvz n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mvz s HIS 32 N -3.05 2.86 0.62 0.00 -3.43 -1.26 -4.92 115.29 106.11 1mvz s HIS 32 Ca 0.62 0.86 0.35 0.00 -0.80 0.00 0.00 55.06 56.08 1mvz s HIS 32 Cb -0.16 -3.37 1.97 0.00 -1.43 0.00 0.00 32.58 29.59 1mvz s HIS 32 CO 0.55 -1.87 2.23 1.03 -2.00 0.00 0.00 174.74 174.69 1mvz h SER 33 N -1.13 0.00 -0.01 7.38 0.87 -1.78 -1.67 113.55 117.21 1mvz h SER 33 Ca -0.47 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 1mvz h SER 33 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1mvz h SER 33 CO 0.64 0.00 -0.46 0.00 -0.53 0.00 0.00 176.83 176.48 1mvz n ALA 34 N -2.21 3.63 -2.25 6.23 0.00 -1.26 -5.01 120.51 119.65 1mvz n ALA 34 Ca -0.02 -3.28 -0.39 0.00 0.00 0.00 0.00 53.44 49.76 1mvz n ALA 34 Cb 0.16 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 1mvz n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mvz n LYS 36 N 1.86 0.45 -3.78 0.00 5.02 -1.26 -4.90 118.16 115.56 1mvz n LYS 36 Ca -0.09 0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 56.04 1mvz n LYS 36 Cb 0.50 -1.27 -0.13 0.00 -0.02 0.00 0.00 35.03 34.12 1mvz n LYS 36 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1mvz s SER 37 N -6.77 4.99 -0.02 4.39 0.15 -1.26 -4.99 113.70 110.19 1mvz s SER 37 Ca -0.29 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.14 1mvz s SER 37 Cb 0.10 -1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 1mvz s SER 37 CO 0.38 -0.04 -0.17 0.00 1.20 0.00 0.00 173.24 174.60 1mvz s LEU 39 N -0.29 1.69 0.13 0.00 2.96 -0.73 -4.93 118.68 117.51 1mvz s LEU 39 Ca 0.04 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 1mvz s LEU 39 Cb -0.08 0.65 -0.04 0.00 0.50 0.00 0.00 46.19 47.23 1mvz s LEU 39 CO -0.00 -0.47 -0.12 0.00 -1.32 0.00 0.00 176.35 174.44 1mvz s THR 41 N -2.51 4.93 -1.30 0.00 -1.32 -0.53 -4.99 115.64 109.92 1mvz s THR 41 Ca 0.11 0.37 0.08 0.00 -1.21 0.00 0.00 61.69 61.03 1mvz s THR 41 Cb -0.03 -3.68 0.32 0.00 -1.51 0.00 0.00 72.50 67.61 1mvz s THR 41 CO 0.02 -0.25 1.13 -2.11 -2.21 0.00 0.00 174.62 171.20 1mvz n ARG 42 N -0.64 2.24 -0.94 7.08 1.85 -1.26 -4.29 116.66 120.70 1mvz n ARG 42 Ca 0.00 -1.26 -0.29 0.00 -1.00 0.00 0.00 57.85 55.30 1mvz n ARG 42 Cb 0.53 -1.56 0.22 0.00 -1.05 0.00 0.00 32.46 30.61 1mvz n ARG 42 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1mvz s SER 43 N -0.65 1.39 -0.20 2.89 0.01 -1.26 -4.92 113.70 110.96 1mvz s SER 43 Ca 0.22 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1mvz s SER 43 Cb 0.15 -1.60 0.05 0.00 0.21 0.00 0.00 66.02 64.82 1mvz s SER 43 CO 0.10 -3.88 -0.07 0.12 0.41 0.00 0.00 173.24 169.92 1mvz s PHE 44 N -2.81 2.24 0.63 2.43 5.36 -1.26 -1.94 117.98 122.63 1mvz s PHE 44 Ca 0.68 -1.53 -0.16 0.00 -0.96 0.00 0.00 56.93 54.96 1mvz s PHE 44 Cb -0.17 -1.54 -0.01 0.00 -0.34 0.00 0.00 43.02 40.95 1mvz s PHE 44 CO 0.59 -0.72 1.11 -1.25 -1.46 0.00 0.00 175.22 173.48 1mvz s PRO 45 N 1.45 2.94 -0.12 10.12 0.04 -1.26 -5.12 135.00 143.06 1mvz s PRO 45 Ca -0.02 1.42 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1mvz s PRO 45 Cb -0.17 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1mvz s PRO 45 CO -0.07 -1.14 0.81 -1.25 0.04 0.00 0.00 177.00 175.39 1mvz s PRO 46 N -3.94 4.37 0.24 0.56 0.04 -0.82 -5.01 135.00 130.45 1mvz s PRO 46 Ca 0.68 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.85 1mvz s PRO 46 Cb -0.21 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1mvz s PRO 46 CO 0.38 -0.17 -0.04 -0.65 0.04 0.00 0.00 177.00 176.56 1mvz s GLN 47 N 1.59 2.19 0.26 4.56 1.11 -1.26 -4.95 119.66 123.17 1mvz s GLN 47 Ca 0.40 -1.40 0.10 0.00 0.01 0.00 0.00 55.36 54.47 1mvz s GLN 47 Cb -0.17 -2.14 -0.04 0.00 -1.01 0.00 0.00 33.01 29.65 1mvz s GLN 47 CO 0.16 0.38 -0.03 0.00 0.01 0.00 0.00 175.29 175.82 1mvz s ARG 49 N -3.59 0.79 -0.23 0.00 3.00 -0.24 -1.66 118.95 117.03 1mvz s ARG 49 Ca 0.31 0.47 -0.18 0.00 -1.00 0.00 0.00 55.73 55.32 1mvz s ARG 49 Cb -0.06 0.38 -0.03 0.00 0.00 0.00 0.00 34.95 35.23 1mvz s ARG 49 CO 0.19 -0.17 0.53 0.00 0.00 0.00 0.00 175.30 175.85 1mvz n TYR 51 N 5.14 0.42 -1.71 0.00 9.36 0.73 -4.24 117.16 126.87 1mvz n TYR 51 Ca -0.04 -0.26 -0.42 0.00 3.32 0.00 0.00 57.90 60.50 1mvz n TYR 51 Cb 0.50 -0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 1mvz n TYR 51 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1mvz n ASP 52 N 1.20 4.05 -4.55 2.98 4.64 -0.92 -4.80 116.55 119.14 1mvz n ASP 52 Ca 0.16 1.03 -0.34 0.00 -1.38 0.00 0.00 54.79 54.26 1mvz n ASP 52 Cb 0.53 -1.57 -0.11 0.00 -1.04 0.00 0.00 41.12 38.93 1mvz n ASP 52 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1mvz s ILE 53 N 1.87 4.28 0.03 5.18 -1.09 -1.26 -4.44 121.20 125.77 1mvz s ILE 53 Ca 0.78 -0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.94 1mvz s ILE 53 Cb -0.49 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.47 1mvz s ILE 53 CO 0.34 0.48 0.07 0.42 -1.23 0.00 0.00 174.94 175.02 1mvz s THR 54 N 0.39 0.13 0.22 2.92 -4.23 -0.70 -4.98 115.64 109.40 1mvz s THR 54 Ca -0.01 -1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 59.37 1mvz s THR 54 Cb -0.13 -0.78 0.17 0.00 1.34 0.00 0.00 72.50 73.10 1mvz s THR 54 CO 0.02 -0.59 1.80 0.44 -0.54 0.00 0.00 174.62 175.75 1mvz h ASP 55 N 3.86 1.09 -4.38 3.99 5.19 -1.84 0.13 116.42 124.47 1mvz h ASP 55 Ca -0.32 -0.15 -0.31 0.00 -0.62 0.00 0.00 57.03 55.62 1mvz h ASP 55 Cb 1.19 -0.28 0.08 0.00 0.18 0.00 0.00 39.33 40.49 1mvz h ASP 55 CO 0.49 0.95 0.14 2.22 -3.12 0.00 0.00 179.24 179.91 1mvz n PHE 56 N -4.29 -3.34 -3.70 4.55 -1.74 -1.26 -4.44 117.46 103.24 1mvz n PHE 56 Ca 0.08 -1.09 -0.13 0.00 -0.56 0.00 0.00 57.45 55.75 1mvz n PHE 56 Cb 0.17 -0.56 -0.07 0.00 1.52 0.00 0.00 39.48 40.54 1mvz n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1mvz s TYR 58 N -2.10 2.96 1.18 0.00 2.02 -1.26 -5.06 117.35 115.09 1mvz s TYR 58 Ca -0.08 1.53 -0.20 0.00 -0.37 0.00 0.00 57.07 57.95 1mvz s TYR 58 Cb -0.02 -3.04 0.29 0.00 -0.40 0.00 0.00 41.96 38.78 1mvz s TYR 58 CO 0.00 -1.10 1.19 -1.25 -1.57 0.00 0.00 175.55 172.82 1mvz s PRO 59 N -3.83 -1.07 0.28 -1.71 0.04 -1.26 -4.53 135.00 122.93 1mvz s PRO 59 Ca 0.65 -0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.08 1mvz s PRO 59 Cb -0.17 -1.64 -0.13 0.00 0.04 0.00 0.00 34.50 32.61 1mvz s PRO 59 CO 0.32 -3.57 1.40 -1.13 0.04 0.00 0.00 177.00 174.07 1mvz n SER 60 N -4.61 2.96 -4.83 6.66 3.41 -1.24 -2.98 113.62 112.99 1mvz n SER 60 Ca 0.16 1.17 -0.25 0.00 -0.26 0.00 0.00 58.87 59.68 1mvz n SER 60 Cb 0.60 -1.48 0.08 0.00 -0.26 0.00 0.00 64.21 63.15 1mvz n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88