#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 3.44 -3.14 -0.78 3.00 -1.26 -4.64 118.16 114.79 1mvz n LYS 2 Ca 0.00 -2.40 -0.22 0.00 -0.00 0.00 0.00 58.31 55.69 1mvz n LYS 2 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 35.03 32.02 1mvz n LYS 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1mvz n SER 3 N 4.40 1.92 -3.55 3.14 7.64 -1.26 -5.06 113.62 120.84 1mvz n SER 3 Ca 0.68 -3.18 -0.11 0.00 1.01 0.00 0.00 58.87 57.27 1mvz n SER 3 Cb 0.29 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.84 1mvz n SER 3 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1mvz s THR 4 N -2.82 0.04 0.00 0.44 -1.32 -1.26 -5.05 115.64 105.67 1mvz s THR 4 Ca 0.42 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1mvz s THR 4 Cb 0.29 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1mvz s THR 4 CO -0.10 -0.18 0.00 1.07 -2.21 0.00 0.00 174.62 173.20 1mvz n THR 5 N -0.18 0.00 -1.63 5.08 5.66 -1.26 -4.86 114.28 117.08 1mvz n THR 5 Ca -0.17 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.51 1mvz n THR 5 Cb 0.64 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.47 1mvz n THR 5 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1mvz s THR 6 N -0.04 3.39 0.05 1.09 -4.23 -1.26 -4.89 115.64 109.76 1mvz s THR 6 Ca 0.00 0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 60.78 1mvz s THR 6 Cb 0.00 -3.10 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 1mvz s THR 6 CO 0.00 -0.47 1.87 0.00 -0.54 0.00 0.00 174.62 175.47 1mvz s ALA 7 N -2.57 3.64 0.28 3.99 0.00 -1.26 -4.92 121.76 120.92 1mvz s ALA 7 Ca 0.64 1.30 -0.08 0.00 0.00 0.00 0.00 51.96 53.82 1mvz s ALA 7 Cb -0.19 -3.80 -0.00 0.00 0.00 0.00 0.00 23.12 19.13 1mvz s ALA 7 CO 0.46 -1.42 0.44 0.00 0.00 0.00 0.00 175.76 175.24 1mvz n ASP 10 N 0.49 0.54 -4.44 0.00 9.92 -1.26 -2.94 116.55 118.86 1mvz n ASP 10 Ca -0.08 0.09 -0.44 0.00 -0.53 0.00 0.00 54.79 53.83 1mvz n ASP 10 Cb 0.59 -0.45 -0.06 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.53 2.99 -0.61 1.24 0.08 -1.26 -4.96 117.98 113.94 1mvz s PHE 11 Ca -0.07 -0.56 0.05 0.00 0.12 0.00 0.00 56.93 56.47 1mvz s PHE 11 Cb 0.01 -3.72 0.30 0.00 -0.57 0.00 0.00 43.02 39.04 1mvz s PHE 11 CO 0.10 -1.15 0.87 0.00 -0.10 0.00 0.00 175.22 174.94 1mvz s PRO 13 N -3.06 2.33 0.16 0.00 0.04 -0.97 -4.69 135.00 128.82 1mvz s PRO 13 Ca 0.45 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.97 1mvz s PRO 13 Cb 0.22 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1mvz s PRO 13 CO -0.08 -1.62 -0.11 0.00 0.04 0.00 0.00 177.00 175.22 1mvz s THR 15 N -3.10 2.36 -1.68 0.00 -4.23 -0.05 -5.00 115.64 103.94 1mvz s THR 15 Ca 0.17 -0.46 0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1mvz s THR 15 Cb 0.01 -2.90 0.08 0.00 1.34 0.00 0.00 72.50 71.03 1mvz s THR 15 CO 0.02 0.00 0.91 -2.11 -0.54 0.00 0.00 174.62 172.90 1mvz n ARG 16 N -2.75 1.33 -1.20 3.99 1.85 -1.26 -4.58 116.66 114.03 1mvz n ARG 16 Ca 0.10 -1.17 -0.30 0.00 -1.00 0.00 0.00 57.85 55.47 1mvz n ARG 16 Cb 0.60 -1.26 0.24 0.00 -1.05 0.00 0.00 32.46 30.99 1mvz n ARG 16 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1mvz s SER 17 N -1.41 0.96 -0.15 2.89 1.04 -1.26 -4.90 113.70 110.87 1mvz s SER 17 Ca 0.16 0.47 -0.00 0.00 0.48 0.00 0.00 55.95 57.05 1mvz s SER 17 Cb 0.12 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.67 1mvz s SER 17 CO 0.24 -4.09 -0.07 -0.63 0.98 0.00 0.00 173.24 169.67 1mvz s ILE 18 N -3.16 1.16 0.46 -1.02 -1.09 -1.26 -1.69 121.20 114.60 1mvz s ILE 18 Ca 0.73 -0.52 -0.23 0.00 -2.23 0.00 0.00 60.65 58.40 1mvz s ILE 18 Cb -0.07 -1.24 -0.07 0.00 -1.58 0.00 0.00 42.46 39.50 1mvz s ILE 18 CO 0.55 0.26 1.16 -2.16 -1.23 0.00 0.00 174.94 173.52 1mvz s PRO 19 N 1.63 3.75 -0.00 2.79 0.04 -1.26 -5.09 135.00 136.86 1mvz s PRO 19 Ca 0.03 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1mvz s PRO 19 Cb -0.14 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 1mvz s PRO 19 CO -0.08 -0.56 1.33 -1.25 0.04 0.00 0.00 177.00 176.48 1mvz s PRO 20 N -2.72 4.32 0.10 0.56 0.04 -0.68 -5.02 135.00 131.59 1mvz s PRO 20 Ca 0.64 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.59 1mvz s PRO 20 Cb -0.28 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1mvz s PRO 20 CO 0.34 -0.50 0.10 1.14 0.04 0.00 0.00 177.00 178.12 1mvz s GLN 21 N 2.14 2.91 0.05 4.56 0.00 -1.26 -4.67 119.66 123.37 1mvz s GLN 21 Ca 0.61 -0.73 0.06 0.00 -0.00 0.00 0.00 55.36 55.30 1mvz s GLN 21 Cb -0.30 -2.72 -0.02 0.00 0.00 0.00 0.00 33.01 29.97 1mvz s GLN 21 CO 0.26 0.55 -0.17 0.00 0.00 0.00 0.00 175.29 175.92 1mvz s GLN 23 N -1.23 1.18 -0.05 0.00 0.74 -0.69 -1.28 119.66 118.33 1mvz s GLN 23 Ca 0.04 -1.01 -0.00 0.00 0.05 0.00 0.00 55.36 54.44 1mvz s GLN 23 Cb -0.08 0.43 -0.03 0.00 1.10 0.00 0.00 33.01 34.42 1mvz s GLN 23 CO 0.02 -0.45 -0.01 0.00 -0.55 0.00 0.00 175.29 174.30 1mvz n THR 25 N 1.88 0.00 -1.89 0.00 5.66 -0.87 -4.66 114.28 114.41 1mvz n THR 25 Ca -0.17 -0.21 -0.38 0.00 -3.05 0.00 0.00 64.05 60.24 1mvz n THR 25 Cb 0.53 0.84 0.03 0.00 -1.55 0.00 0.00 70.33 70.18 1mvz n THR 25 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1mvz s ASP 26 N -2.52 5.38 -0.18 1.09 1.01 -1.26 -5.02 116.67 115.18 1mvz s ASP 26 Ca 0.03 2.64 -0.04 0.00 0.71 0.00 0.00 52.55 55.90 1mvz s ASP 26 Cb 0.10 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1mvz s ASP 26 CO 0.55 -1.48 -0.04 -0.69 0.21 0.00 0.00 175.17 173.71 1mvz s VAL 27 N -1.38 3.66 0.00 -1.27 1.01 -1.26 -4.49 120.40 116.66 1mvz s VAL 27 Ca 0.71 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1mvz s VAL 27 Cb -0.37 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1mvz s VAL 27 CO 0.44 0.46 0.00 -2.11 0.00 0.00 0.00 175.10 173.89 1mvz n ARG 28 N 4.04 0.00 0.00 2.72 0.00 -0.22 -4.98 116.66 118.22 1mvz n ARG 28 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 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 2.49 -1.15 2.89 2.13 -1.26 -1.56 120.64 124.18 1mvz n GLU 29 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1mvz n GLU 29 Cb 0.00 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.83 1mvz n GLU 29 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1mvz s LYS 30 N 0.00 1.76 0.83 5.31 -2.85 -1.26 -4.02 119.74 119.51 1mvz s LYS 30 Ca 0.00 1.58 -0.12 0.00 -1.00 0.00 0.00 55.97 56.44 1mvz s LYS 30 Cb 0.00 -1.81 0.09 0.00 -2.06 0.00 0.00 37.83 34.05 1mvz s LYS 30 CO 0.00 -2.08 1.11 0.00 0.10 0.00 0.00 175.35 174.48 1mvz s HIS 32 N -3.22 2.70 0.46 0.00 -3.43 -1.26 -4.98 115.29 105.55 1mvz s HIS 32 Ca 0.62 0.22 0.29 0.00 -0.80 0.00 0.00 55.06 55.39 1mvz s HIS 32 Cb -0.14 -3.08 1.61 0.00 -1.43 0.00 0.00 32.58 29.54 1mvz s HIS 32 CO 0.54 -1.33 2.14 1.03 -2.00 0.00 0.00 174.74 175.11 1mvz h SER 33 N -0.43 0.00 -0.88 7.38 0.87 -1.91 -2.12 113.55 116.46 1mvz h SER 33 Ca -0.43 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.60 1mvz h SER 33 Cb 1.30 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.98 1mvz h SER 33 CO 0.55 0.08 0.50 0.00 -0.53 0.00 0.00 176.83 177.42 1mvz n ALA 34 N -2.27 5.64 -3.51 6.23 0.00 -1.26 -4.90 120.51 120.45 1mvz n ALA 34 Ca -0.02 -3.23 -0.32 0.00 0.00 0.00 0.00 53.44 49.86 1mvz n ALA 34 Cb 0.19 -1.37 -0.17 0.00 0.00 0.00 0.00 19.45 18.11 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 3.90 0.59 -3.69 0.00 4.76 -1.26 -4.88 118.16 117.57 1mvz n LYS 36 Ca -0.20 0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 54.95 1mvz n LYS 36 Cb 0.52 -1.37 -0.12 0.00 -1.84 0.00 0.00 35.03 32.22 1mvz n LYS 36 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1mvz s SER 37 N -5.67 5.40 -0.02 4.39 0.15 -1.26 -5.02 113.70 111.66 1mvz s SER 37 Ca -0.23 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 55.72 1mvz s SER 37 Cb 0.06 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1mvz s SER 37 CO 0.44 -0.24 -0.14 0.00 1.20 0.00 0.00 173.24 174.50 1mvz s LEU 39 N -0.13 1.85 0.06 0.00 0.20 -0.28 -4.91 118.68 115.47 1mvz s LEU 39 Ca 0.01 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.41 1mvz s LEU 39 Cb -0.08 0.49 -0.04 0.00 -0.43 0.00 0.00 46.19 46.14 1mvz s LEU 39 CO 0.00 -0.41 -0.05 0.00 -0.29 0.00 0.00 176.35 175.60 1mvz s THR 41 N -3.08 4.99 -0.50 0.00 -1.32 -0.57 -5.00 115.64 110.17 1mvz s THR 41 Ca 0.03 0.26 0.13 0.00 -1.21 0.00 0.00 61.69 60.90 1mvz s THR 41 Cb 0.02 -3.66 0.70 0.00 -1.51 0.00 0.00 72.50 68.05 1mvz s THR 41 CO -0.05 -0.16 1.58 -2.11 -2.21 0.00 0.00 174.62 171.67 1mvz n ARG 42 N -0.44 4.24 -1.02 7.08 1.85 -1.26 -4.20 116.66 122.91 1mvz n ARG 42 Ca -0.01 -2.71 -0.30 0.00 -1.00 0.00 0.00 57.85 53.83 1mvz n ARG 42 Cb 0.53 -2.11 0.25 0.00 -1.05 0.00 0.00 32.46 30.08 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 -0.71 0.65 -0.18 2.89 0.01 -1.26 -4.92 113.70 110.19 1mvz s SER 43 Ca 0.47 0.62 0.01 0.00 1.31 0.00 0.00 55.95 58.36 1mvz s SER 43 Cb 0.35 -0.85 0.03 0.00 0.21 0.00 0.00 66.02 65.77 1mvz s SER 43 CO 0.15 -4.29 -0.13 0.12 0.41 0.00 0.00 173.24 169.51 1mvz s PHE 44 N -2.95 2.42 0.55 2.43 5.36 -1.26 -2.00 117.98 122.52 1mvz s PHE 44 Ca 0.71 -1.50 -0.19 0.00 -0.96 0.00 0.00 56.93 54.99 1mvz s PHE 44 Cb -0.09 -1.68 -0.06 0.00 -0.34 0.00 0.00 43.02 40.85 1mvz s PHE 44 CO 0.56 -0.73 1.09 -1.25 -1.46 0.00 0.00 175.22 173.43 1mvz s PRO 45 N 1.40 3.42 -0.09 10.12 0.04 -1.26 -5.12 135.00 143.50 1mvz s PRO 45 Ca 0.01 1.47 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 1mvz s PRO 45 Cb -0.15 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1mvz s PRO 45 CO -0.10 -0.77 0.86 -1.25 0.04 0.00 0.00 177.00 175.78 1mvz s PRO 46 N -3.45 4.42 0.29 0.56 0.04 -0.85 -5.01 135.00 131.00 1mvz s PRO 46 Ca 0.69 1.13 0.10 0.00 0.04 0.00 0.00 61.00 62.97 1mvz s PRO 46 Cb -0.20 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 1mvz s PRO 46 CO 0.28 -0.16 -0.06 -0.65 0.04 0.00 0.00 177.00 176.46 1mvz s GLN 47 N 1.50 2.05 0.41 4.56 1.11 -1.26 -4.96 119.66 123.07 1mvz s GLN 47 Ca 0.43 -1.62 0.07 0.00 0.01 0.00 0.00 55.36 54.25 1mvz s GLN 47 Cb -0.18 -1.98 -0.05 0.00 -1.01 0.00 0.00 33.01 29.79 1mvz s GLN 47 CO 0.18 0.28 0.21 0.00 0.01 0.00 0.00 175.29 175.98 1mvz s ARG 49 N -3.94 0.97 -0.19 0.00 3.52 0.25 -1.05 118.95 118.52 1mvz s ARG 49 Ca 0.42 0.47 -0.20 0.00 -0.13 0.00 0.00 55.73 56.29 1mvz s ARG 49 Cb 0.02 0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 1mvz s ARG 49 CO 0.23 -0.25 0.59 0.00 -0.81 0.00 0.00 175.30 175.06 1mvz n TYR 51 N 4.90 0.64 -2.15 0.00 4.19 0.41 -4.18 117.16 120.97 1mvz n TYR 51 Ca -0.03 -0.51 -0.38 0.00 3.31 0.00 0.00 57.90 60.29 1mvz n TYR 51 Cb 0.50 -0.03 -0.00 0.00 0.49 0.00 0.00 39.34 40.30 1mvz n TYR 51 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1mvz s ASP 52 N -1.02 6.07 -0.13 2.98 2.15 -0.68 -4.81 116.67 121.23 1mvz s ASP 52 Ca 0.31 2.44 -0.03 0.00 0.43 0.00 0.00 52.55 55.69 1mvz s ASP 52 Cb 0.17 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1mvz s ASP 52 CO 0.21 -0.99 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.57 1mvz s ILE 53 N -1.45 4.18 0.28 4.11 -1.09 -1.26 -4.48 121.20 121.50 1mvz s ILE 53 Ca 0.63 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.83 1mvz s ILE 53 Cb -0.32 -2.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1mvz s ILE 53 CO 0.39 0.53 0.28 0.35 -1.23 0.00 0.00 174.94 175.26 1mvz n THR 54 N 2.99 0.00 0.61 2.92 -2.24 -0.41 -4.96 114.28 113.19 1mvz n THR 54 Ca -0.18 -1.91 0.07 0.00 -2.27 0.00 0.00 64.05 59.76 1mvz n THR 54 Cb 0.53 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1mvz n THR 54 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1mvz n ASP 55 N -1.86 1.36 -2.11 3.42 4.64 -1.26 -0.37 116.55 120.37 1mvz n ASP 55 Ca 0.05 -1.18 -0.08 0.00 -1.38 0.00 0.00 54.79 52.20 1mvz n ASP 55 Cb 0.50 0.53 -0.02 0.00 -1.04 0.00 0.00 41.12 41.09 1mvz n ASP 55 CO 0.00 0.00 0.00 2.22 -0.82 0.00 0.00 177.20 178.60 1mvz n PHE 56 N -0.31 -0.05 -4.68 -0.67 1.16 -1.26 -4.81 117.46 106.84 1mvz n PHE 56 Ca 0.05 -0.89 -0.28 0.00 -1.87 0.00 0.00 57.45 54.46 1mvz n PHE 56 Cb 0.28 0.03 -0.14 0.00 -1.61 0.00 0.00 39.48 38.03 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 -0.90 3.45 0.91 0.00 2.02 -1.26 -5.04 117.35 116.53 1mvz s TYR 58 Ca 0.11 1.30 -0.10 0.00 -0.37 0.00 0.00 57.07 58.00 1mvz s TYR 58 Cb -0.10 -2.81 0.15 0.00 -0.40 0.00 0.00 41.96 38.80 1mvz s TYR 58 CO 0.03 -0.91 1.15 -0.35 -1.57 0.00 0.00 175.55 173.91 1mvz n PRO 59 N -2.89 -0.42 -1.89 -1.71 -0.04 -1.26 -4.55 135.00 122.24 1mvz n PRO 59 Ca 0.06 -0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 1mvz n PRO 59 Cb 0.54 -2.38 -0.01 0.00 -0.04 0.00 0.00 33.50 31.61 1mvz n PRO 59 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1mvz s SER 60 N -2.60 6.48 0.21 3.54 1.04 -1.25 -1.67 113.70 119.44 1mvz s SER 60 Ca 0.67 2.90 0.02 0.00 0.48 0.00 0.00 55.95 60.03 1mvz s SER 60 Cb -0.23 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.26 1mvz s SER 60 CO 0.57 -0.79 0.24 0.00 0.98 0.00 0.00 173.24 174.24