#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvz s LYS 2 N 0.00 0.37 -0.16 1.09 2.20 -1.26 -5.16 119.74 116.82 1mvz s LYS 2 Ca 0.00 0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 56.40 1mvz s LYS 2 Cb 0.00 0.51 0.07 0.00 -1.51 0.00 0.00 37.83 36.90 1mvz s LYS 2 CO 0.00 -0.19 0.35 -1.12 -0.36 0.00 0.00 175.35 174.03 1mvz s SER 3 N 2.65 -0.20 0.29 1.43 0.01 -1.26 -5.16 113.70 111.47 1mvz s SER 3 Ca -0.00 0.79 -0.18 0.00 1.31 0.00 0.00 55.95 57.86 1mvz s SER 3 Cb -0.09 0.86 0.07 0.00 0.21 0.00 0.00 66.02 67.07 1mvz s SER 3 CO -0.17 -0.21 0.92 0.28 0.41 0.00 0.00 173.24 174.47 1mvz s THR 4 N 1.96 0.00 -0.43 1.44 -1.32 -1.26 -5.11 115.64 110.92 1mvz s THR 4 Ca -0.05 -0.79 0.07 0.00 -1.21 0.00 0.00 61.69 59.72 1mvz s THR 4 Cb -0.11 -2.99 0.27 0.00 -1.51 0.00 0.00 72.50 68.17 1mvz s THR 4 CO -0.11 0.00 0.77 1.07 -2.21 0.00 0.00 174.62 174.14 1mvz n THR 5 N -0.63 -0.27 -1.17 5.08 5.66 -1.26 -5.10 114.28 116.58 1mvz n THR 5 Ca -0.06 -2.80 -0.29 0.00 -3.05 0.00 0.00 64.05 57.86 1mvz n THR 5 Cb 0.60 0.03 0.24 0.00 -1.55 0.00 0.00 70.33 69.64 1mvz n THR 5 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1mvz n THR 6 N 1.22 0.00 -1.67 1.09 -2.24 -1.26 -4.80 114.28 106.62 1mvz n THR 6 Ca 0.15 -0.54 -0.52 0.00 -2.27 0.00 0.00 64.05 60.87 1mvz n THR 6 Cb 0.61 -1.28 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 1mvz n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mvz n ALA 7 N -4.65 0.54 -4.13 6.98 0.00 -1.26 -4.73 120.51 113.26 1mvz n ALA 7 Ca -0.20 0.28 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1mvz n ALA 7 Cb 0.57 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 1mvz n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mvz n ASP 10 N 0.09 0.92 -4.46 0.00 9.92 -1.26 -1.52 116.55 120.24 1mvz n ASP 10 Ca -0.06 0.15 -0.41 0.00 -0.53 0.00 0.00 54.79 53.94 1mvz n ASP 10 Cb 0.60 -0.50 -0.11 0.00 -0.64 0.00 0.00 41.12 40.47 1mvz n ASP 10 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1mvz s PHE 11 N -1.89 3.23 -0.54 1.24 0.08 -1.26 -4.80 117.98 114.04 1mvz s PHE 11 Ca -0.11 -0.57 0.06 0.00 0.12 0.00 0.00 56.93 56.43 1mvz s PHE 11 Cb 0.02 -2.50 0.20 0.00 -0.57 0.00 0.00 43.02 40.17 1mvz s PHE 11 CO 0.17 -0.53 0.51 0.00 -0.10 0.00 0.00 175.22 175.27 1mvz s PRO 13 N -1.17 2.70 0.07 0.00 0.04 -1.13 -4.76 135.00 130.74 1mvz s PRO 13 Ca 0.33 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1mvz s PRO 13 Cb 0.07 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1mvz s PRO 13 CO -0.13 -1.30 -0.06 0.00 0.04 0.00 0.00 177.00 175.55 1mvz s THR 15 N -3.00 4.77 -0.39 0.00 -4.23 -0.36 -4.98 115.64 107.45 1mvz s THR 15 Ca 0.04 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.28 1mvz s THR 15 Cb 0.01 -3.85 0.57 0.00 1.34 0.00 0.00 72.50 70.57 1mvz s THR 15 CO -0.04 -1.00 1.70 0.54 -0.54 0.00 0.00 174.62 175.27 1mvz n ARG 16 N -2.47 2.15 -1.54 3.99 1.74 -1.26 -4.10 116.66 115.17 1mvz n ARG 16 Ca 0.04 -3.17 -0.30 0.00 -0.77 0.00 0.00 57.85 53.66 1mvz n ARG 16 Cb 0.54 -2.03 0.20 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.00 2.26 -0.27 0.55 1.04 -1.26 -4.92 113.70 109.09 1mvz s SER 17 Ca 0.52 0.50 0.01 0.00 0.48 0.00 0.00 55.95 57.46 1mvz s SER 17 Cb 0.45 -0.69 0.07 0.00 0.10 0.00 0.00 66.02 65.95 1mvz s SER 17 CO 0.04 -3.28 -0.01 -0.63 0.98 0.00 0.00 173.24 170.34 1mvz s ILE 18 N -3.45 1.59 0.76 -1.02 -1.09 -1.26 -1.79 121.20 114.93 1mvz s ILE 18 Ca 0.71 -1.48 -0.11 0.00 -2.23 0.00 0.00 60.65 57.54 1mvz s ILE 18 Cb -0.07 -1.97 0.05 0.00 -1.58 0.00 0.00 42.46 38.89 1mvz s ILE 18 CO 0.54 -0.29 1.08 -2.16 -1.23 0.00 0.00 174.94 172.88 1mvz s PRO 19 N 1.32 2.39 0.52 2.79 0.04 -1.26 -5.13 135.00 135.68 1mvz s PRO 19 Ca -0.00 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 1mvz s PRO 19 Cb -0.19 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1mvz s PRO 19 CO -0.10 -1.48 1.04 -1.25 0.04 0.00 0.00 177.00 175.25 1mvz s PRO 20 N -5.01 3.66 -0.17 0.56 0.04 -0.74 -5.00 135.00 128.34 1mvz s PRO 20 Ca 0.60 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1mvz s PRO 20 Cb -0.15 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1mvz s PRO 20 CO 0.55 -0.54 -0.16 -0.65 0.04 0.00 0.00 177.00 176.24 1mvz s GLN 21 N -3.52 2.59 -0.06 4.56 -0.21 -1.26 -4.44 119.66 117.32 1mvz s GLN 21 Ca 0.66 -0.73 -0.01 0.00 0.02 0.00 0.00 55.36 55.30 1mvz s GLN 21 Cb -0.16 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 1mvz s GLN 21 CO 0.25 -0.25 0.01 0.00 -2.12 0.00 0.00 175.29 173.18 1mvz s GLN 23 N -1.11 0.89 -0.17 0.00 -0.44 -0.77 -1.84 119.66 116.23 1mvz s GLN 23 Ca 0.15 -1.17 -0.07 0.00 -2.50 0.00 0.00 55.36 51.78 1mvz s GLN 23 Cb -0.11 0.30 -0.04 0.00 -1.64 0.00 0.00 33.01 31.52 1mvz s GLN 23 CO 0.05 -0.27 0.05 0.00 0.50 0.00 0.00 175.29 175.62 1mvz n THR 25 N 3.34 0.55 -1.84 0.00 -2.24 -0.59 -4.80 114.28 108.69 1mvz n THR 25 Ca -0.17 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 60.76 1mvz n THR 25 Cb 0.52 -0.35 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1mvz n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mvz s ASP 26 N -4.19 5.76 0.01 3.42 2.15 -1.23 -5.01 116.67 117.57 1mvz s ASP 26 Ca -0.06 2.82 0.08 0.00 0.43 0.00 0.00 52.55 55.82 1mvz s ASP 26 Cb 0.06 -2.64 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1mvz s ASP 26 CO 0.53 -1.24 -0.24 -0.69 -0.17 0.00 0.00 175.17 173.36 1mvz s VAL 27 N -1.25 2.31 0.00 1.11 1.01 -1.26 -4.75 120.40 117.57 1mvz s VAL 27 Ca 0.64 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1mvz s VAL 27 Cb -0.41 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1mvz s VAL 27 CO 0.52 0.47 0.00 -1.14 0.00 0.00 0.00 175.10 174.95 1mvz n ARG 28 N 2.05 0.00 0.00 2.72 0.00 -0.62 -4.99 116.66 115.81 1mvz n ARG 28 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1mvz n ARG 28 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1mvz n ARG 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1mvz n GLU 29 N 0.00 2.78 -0.92 -0.14 4.07 -1.26 -1.17 120.64 124.00 1mvz n GLU 29 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 1mvz n GLU 29 Cb 0.00 0.00 0.14 0.00 -0.06 0.00 0.00 31.44 31.52 1mvz n GLU 29 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1mvz s LYS 30 N 0.00 1.47 0.87 5.31 1.02 -1.26 -3.97 119.74 123.17 1mvz s LYS 30 Ca 0.00 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.27 1mvz s LYS 30 Cb 0.00 -1.79 0.11 0.00 -0.52 0.00 0.00 37.83 35.63 1mvz s LYS 30 CO 0.00 -2.27 1.10 0.00 -0.92 0.00 0.00 175.35 173.26 1mvz s HIS 32 N -2.83 2.41 0.44 0.00 -3.43 -1.26 -4.96 115.29 105.66 1mvz s HIS 32 Ca 0.63 0.47 0.13 0.00 -0.80 0.00 0.00 55.06 55.50 1mvz s HIS 32 Cb -0.19 -3.60 1.03 0.00 -1.43 0.00 0.00 32.58 28.39 1mvz s HIS 32 CO 0.57 -1.98 2.02 1.03 -2.00 0.00 0.00 174.74 174.39 1mvz h SER 33 N -1.11 0.33 -1.16 7.38 0.87 -1.87 -2.40 113.55 115.58 1mvz h SER 33 Ca -0.44 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.47 1mvz h SER 33 Cb 1.29 -0.07 -0.34 0.00 -0.44 0.00 0.00 62.40 62.84 1mvz h SER 33 CO 0.54 0.21 0.28 0.00 -0.53 0.00 0.00 176.83 177.33 1mvz n ALA 34 N -2.52 5.88 -3.24 6.23 0.00 -1.26 -4.93 120.51 120.67 1mvz n ALA 34 Ca 0.06 -3.77 -0.32 0.00 0.00 0.00 0.00 53.44 49.41 1mvz n ALA 34 Cb 0.26 -1.29 -0.16 0.00 0.00 0.00 0.00 19.45 18.26 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 3.64 0.46 -3.87 0.00 4.81 -1.26 -4.89 118.16 117.05 1mvz n LYS 36 Ca -0.19 0.18 -0.36 0.00 -0.87 0.00 0.00 58.31 57.07 1mvz n LYS 36 Cb 0.53 -1.29 -0.11 0.00 0.02 0.00 0.00 35.03 34.18 1mvz n LYS 36 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1mvz s SER 37 N -6.64 5.59 -0.12 3.14 1.04 -1.26 -5.02 113.70 110.43 1mvz s SER 37 Ca -0.29 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.03 1mvz s SER 37 Cb 0.10 -1.98 0.03 0.00 0.10 0.00 0.00 66.02 64.27 1mvz s SER 37 CO 0.40 0.09 0.32 0.00 0.98 0.00 0.00 173.24 175.02 1mvz s LEU 39 N 0.14 2.28 0.09 0.00 1.98 -0.57 -4.89 118.68 117.71 1mvz s LEU 39 Ca -0.00 -0.79 -0.00 0.00 -2.89 0.00 0.00 54.13 50.44 1mvz s LEU 39 Cb -0.02 0.27 -0.04 0.00 0.66 0.00 0.00 46.19 47.06 1mvz s LEU 39 CO 0.01 -0.52 -0.01 0.00 -1.89 0.00 0.00 176.35 173.93 1mvz s THR 41 N -3.86 4.77 -1.96 0.00 -4.23 -0.12 -4.99 115.64 105.25 1mvz s THR 41 Ca 0.14 0.76 0.06 0.00 -1.18 0.00 0.00 61.69 61.47 1mvz s THR 41 Cb 0.07 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.46 1mvz s THR 41 CO -0.05 -0.21 1.14 -2.11 -0.54 0.00 0.00 174.62 172.86 1mvz n ARG 42 N -0.46 1.50 -1.22 3.99 1.85 -1.26 -4.26 116.66 116.81 1mvz n ARG 42 Ca 0.02 -0.75 -0.30 0.00 -1.00 0.00 0.00 57.85 55.83 1mvz n ARG 42 Cb 0.53 -1.18 0.22 0.00 -1.05 0.00 0.00 32.46 30.98 1mvz n ARG 42 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1mvz s SER 43 N -0.97 1.52 -0.17 2.89 1.04 -1.26 -4.94 113.70 111.81 1mvz s SER 43 Ca 0.14 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 1mvz s SER 43 Cb 0.07 -0.96 0.04 0.00 0.10 0.00 0.00 66.02 65.28 1mvz s SER 43 CO 0.09 -3.76 -0.04 0.12 0.98 0.00 0.00 173.24 170.63 1mvz s PHE 44 N -3.12 1.63 0.42 5.02 2.19 -1.26 -2.20 117.98 120.66 1mvz s PHE 44 Ca 0.70 -1.06 -0.24 0.00 0.33 0.00 0.00 56.93 56.67 1mvz s PHE 44 Cb -0.10 -1.28 -0.08 0.00 -1.31 0.00 0.00 43.02 40.25 1mvz s PHE 44 CO 0.56 -0.61 1.14 -1.25 1.83 0.00 0.00 175.22 176.89 1mvz s PRO 45 N 1.66 3.95 -0.05 10.12 0.04 -1.26 -5.11 135.00 144.34 1mvz s PRO 45 Ca 0.00 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1mvz s PRO 45 Cb -0.15 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1mvz s PRO 45 CO -0.08 -0.38 1.21 -1.25 0.04 0.00 0.00 177.00 176.54 1mvz s PRO 46 N -2.51 4.35 -0.02 0.56 0.04 -0.94 -5.02 135.00 131.46 1mvz s PRO 46 Ca 0.60 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1mvz s PRO 46 Cb -0.28 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 1mvz s PRO 46 CO 0.35 -0.45 -0.04 -0.65 0.04 0.00 0.00 177.00 176.25 1mvz s GLN 47 N 2.23 2.72 0.28 4.56 -1.52 -1.26 -4.90 119.66 121.77 1mvz s GLN 47 Ca 0.56 -0.61 0.10 0.00 -1.95 0.00 0.00 55.36 53.45 1mvz s GLN 47 Cb -0.25 -2.61 -0.04 0.00 -0.22 0.00 0.00 33.01 29.89 1mvz s GLN 47 CO 0.22 0.63 -0.00 0.00 -0.25 0.00 0.00 175.29 175.89 1mvz s ARG 49 N -3.68 1.45 -0.06 0.00 3.52 0.17 -1.60 118.95 118.75 1mvz s ARG 49 Ca 0.32 -0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 55.18 1mvz s ARG 49 Cb -0.06 0.59 -0.04 0.00 -1.56 0.00 0.00 34.95 33.88 1mvz s ARG 49 CO 0.20 -0.64 0.19 0.00 -0.81 0.00 0.00 175.30 174.23 1mvz n TYR 51 N 1.52 0.00 -1.78 0.00 9.36 0.16 -4.58 117.16 121.84 1mvz n TYR 51 Ca -0.16 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.67 1mvz n TYR 51 Cb 0.54 -0.04 0.02 0.00 -0.63 0.00 0.00 39.34 39.22 1mvz n TYR 51 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1mvz s ASP 52 N -2.07 5.86 -0.14 2.98 3.68 -0.74 -4.91 116.67 121.32 1mvz s ASP 52 Ca 0.02 2.94 -0.05 0.00 2.13 0.00 0.00 52.55 57.59 1mvz s ASP 52 Cb 0.06 -2.66 -0.03 0.00 -1.45 0.00 0.00 42.92 38.84 1mvz s ASP 52 CO 0.36 -1.19 0.02 -0.63 0.13 0.00 0.00 175.17 173.86 1mvz s ILE 53 N -1.19 4.43 0.13 4.11 -1.09 -1.26 -4.65 121.20 121.68 1mvz s ILE 53 Ca 0.61 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.90 1mvz s ILE 53 Cb -0.44 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1mvz s ILE 53 CO 0.57 0.52 -0.10 0.42 -1.23 0.00 0.00 174.94 175.11 1mvz s THR 54 N -0.06 1.11 0.02 2.92 -4.23 -0.77 -4.96 115.64 109.68 1mvz s THR 54 Ca 0.04 -1.91 -0.19 0.00 -1.18 0.00 0.00 61.69 58.45 1mvz s THR 54 Cb -0.13 -1.68 -0.20 0.00 1.34 0.00 0.00 72.50 71.83 1mvz s THR 54 CO 0.02 -0.67 1.17 -2.24 -0.54 0.00 0.00 174.62 172.36 1mvz h ASP 55 N 3.07 0.56 -2.90 3.99 2.03 -1.88 0.58 116.42 121.87 1mvz h ASP 55 Ca -0.37 -0.69 0.00 0.00 -0.73 0.00 0.00 57.03 55.24 1mvz h ASP 55 Cb 1.19 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1mvz h ASP 55 CO 0.59 1.17 0.00 2.22 -1.03 0.00 0.00 179.24 182.19 1mvz n PHE 56 N -4.25 -2.66 -3.82 4.15 1.16 -1.26 -4.68 117.46 106.10 1mvz n PHE 56 Ca -0.09 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.38 1mvz n PHE 56 Cb 0.62 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.41 1mvz n PHE 56 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mvz s TYR 58 N -2.60 2.83 1.07 0.00 2.02 -1.26 -5.05 117.35 114.36 1mvz s TYR 58 Ca -0.05 1.54 -0.16 0.00 -0.37 0.00 0.00 57.07 58.03 1mvz s TYR 58 Cb -0.01 -3.11 0.22 0.00 -0.40 0.00 0.00 41.96 38.67 1mvz s TYR 58 CO -0.04 -1.32 1.15 -1.25 -1.57 0.00 0.00 175.55 172.52 1mvz s PRO 59 N -3.84 -0.13 0.19 -1.71 0.04 -1.26 -4.36 135.00 123.92 1mvz s PRO 59 Ca 0.67 0.04 -0.33 0.00 0.04 0.00 0.00 61.00 61.42 1mvz s PRO 59 Cb -0.19 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 1mvz s PRO 59 CO 0.34 -3.01 1.48 -1.13 0.04 0.00 0.00 177.00 174.73 1mvz n SER 60 N -4.28 2.80 -4.93 6.66 3.41 -1.23 -3.02 113.62 113.02 1mvz n SER 60 Ca 0.11 1.11 -0.25 0.00 -0.26 0.00 0.00 58.87 59.57 1mvz n SER 60 Cb 0.59 -1.40 0.06 0.00 -0.26 0.00 0.00 64.21 63.20 1mvz n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88