#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 -0.30 -1.13 -0.78 4.76 -1.26 -5.03 118.16 114.43 1mvz n LYS 2 Ca 0.00 -0.07 -0.34 0.00 -2.87 0.00 0.00 58.31 55.03 1mvz n LYS 2 Cb 0.00 -0.05 0.10 0.00 -1.84 0.00 0.00 35.03 33.25 1mvz n LYS 2 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1mvz n SER 3 N -3.04 -0.28 -4.68 4.39 7.64 -1.26 -4.97 113.62 111.43 1mvz n SER 3 Ca 0.01 0.55 -0.30 0.00 1.01 0.00 0.00 58.87 60.14 1mvz n SER 3 Cb 0.02 -1.35 0.16 0.00 -1.01 0.00 0.00 64.21 62.02 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 -2.07 2.51 -1.13 0.44 -1.32 -1.26 -4.91 115.64 107.90 1mvz s THR 4 Ca 0.68 0.17 -0.21 0.00 -1.21 0.00 0.00 61.69 61.11 1mvz s THR 4 Cb -0.30 -2.45 0.03 0.00 -1.51 0.00 0.00 72.50 68.26 1mvz s THR 4 CO 0.56 -0.22 1.68 0.28 -2.21 0.00 0.00 174.62 174.72 1mvz s THR 5 N -2.77 3.88 1.31 5.08 -1.32 -1.26 -4.99 115.64 115.57 1mvz s THR 5 Ca 0.65 -1.15 -0.17 0.00 -1.21 0.00 0.00 61.69 59.80 1mvz s THR 5 Cb -0.20 -4.91 0.34 0.00 -1.51 0.00 0.00 72.50 66.21 1mvz s THR 5 CO 0.58 -1.72 0.95 0.35 -2.21 0.00 0.00 174.62 172.57 1mvz n THR 6 N 6.96 0.00 -1.41 5.08 -2.24 -1.26 -4.81 114.28 116.60 1mvz n THR 6 Ca 0.41 -0.31 -0.52 0.00 -2.27 0.00 0.00 64.05 61.36 1mvz n THR 6 Cb 0.48 -0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 67.63 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 -5.37 0.85 -4.15 6.98 0.00 -1.26 -4.91 120.51 112.64 1mvz n ALA 7 Ca 0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1mvz n ALA 7 Cb 0.57 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 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 -0.01 1.55 -4.21 0.00 9.92 -1.26 -0.93 116.55 121.62 1mvz n ASP 10 Ca -0.04 0.25 -0.35 0.00 -0.53 0.00 0.00 54.79 54.13 1mvz n ASP 10 Cb 0.59 -0.60 -0.14 0.00 -0.64 0.00 0.00 41.12 40.33 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 -2.50 3.07 -0.53 1.24 0.08 -1.26 -4.84 117.98 113.23 1mvz s PHE 11 Ca -0.19 -1.51 0.05 0.00 0.12 0.00 0.00 56.93 55.40 1mvz s PHE 11 Cb 0.03 -2.07 0.18 0.00 -0.57 0.00 0.00 43.02 40.59 1mvz s PHE 11 CO 0.28 -0.72 0.43 0.00 -0.10 0.00 0.00 175.22 175.11 1mvz s PRO 13 N -0.70 2.06 0.11 0.00 0.04 -1.13 -4.76 135.00 130.62 1mvz s PRO 13 Ca 0.31 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.37 1mvz s PRO 13 Cb 0.02 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1mvz s PRO 13 CO -0.17 -1.73 -0.10 0.00 0.04 0.00 0.00 177.00 175.04 1mvz s THR 15 N -2.79 3.54 -1.41 0.00 -4.23 -0.02 -4.99 115.64 105.73 1mvz s THR 15 Ca 0.09 0.12 0.13 0.00 -1.18 0.00 0.00 61.69 60.85 1mvz s THR 15 Cb -0.01 -3.44 0.26 0.00 1.34 0.00 0.00 72.50 70.65 1mvz s THR 15 CO -0.00 -0.49 1.14 -2.11 -0.54 0.00 0.00 174.62 172.62 1mvz n ARG 16 N -2.72 1.97 -1.37 3.99 1.85 -1.26 -4.56 116.66 114.56 1mvz n ARG 16 Ca 0.05 -1.79 -0.30 0.00 -1.00 0.00 0.00 57.85 54.81 1mvz n ARG 16 Cb 0.58 -1.30 0.20 0.00 -1.05 0.00 0.00 32.46 30.89 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 -1.07 2.01 -0.19 2.89 1.04 -1.26 -4.93 113.70 112.19 1mvz s SER 17 Ca 0.23 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.30 1mvz s SER 17 Cb 0.13 -0.91 0.04 0.00 0.10 0.00 0.00 66.02 65.38 1mvz s SER 17 CO 0.18 -3.45 -0.10 -0.51 0.98 0.00 0.00 173.24 170.34 1mvz s ILE 18 N -3.27 1.59 0.59 -1.02 1.10 -1.26 -1.80 121.20 117.12 1mvz s ILE 18 Ca 0.70 -0.93 -0.18 0.00 -0.51 0.00 0.00 60.65 59.74 1mvz s ILE 18 Cb -0.10 -1.65 -0.04 0.00 0.15 0.00 0.00 42.46 40.83 1mvz s ILE 18 CO 0.55 0.20 1.11 -2.16 -2.11 0.00 0.00 174.94 172.53 1mvz s PRO 19 N 1.43 3.18 0.17 3.50 0.04 -1.26 -5.12 135.00 136.94 1mvz s PRO 19 Ca -0.00 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1mvz s PRO 19 Cb -0.16 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1mvz s PRO 19 CO -0.08 -0.96 0.97 -1.25 0.04 0.00 0.00 177.00 175.71 1mvz s PRO 20 N -3.64 4.75 0.09 0.56 0.04 -0.75 -5.01 135.00 131.03 1mvz s PRO 20 Ca 0.69 1.50 0.05 0.00 0.04 0.00 0.00 61.00 63.28 1mvz s PRO 20 Cb -0.21 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1mvz s PRO 20 CO 0.33 0.31 0.01 1.14 0.04 0.00 0.00 177.00 178.82 1mvz s GLN 21 N -0.49 2.58 0.08 4.56 0.00 -1.26 -4.78 119.66 120.35 1mvz s GLN 21 Ca 0.45 -0.82 0.06 0.00 -0.00 0.00 0.00 55.36 55.05 1mvz s GLN 21 Cb -0.25 -2.56 -0.04 0.00 0.00 0.00 0.00 33.01 30.16 1mvz s GLN 21 CO 0.31 0.54 -0.09 0.00 0.00 0.00 0.00 175.29 176.05 1mvz s GLN 23 N -2.04 1.66 -0.06 0.00 -2.07 -0.85 -1.43 119.66 114.87 1mvz s GLN 23 Ca 0.21 -1.10 -0.01 0.00 -1.82 0.00 0.00 55.36 52.64 1mvz s GLN 23 Cb -0.11 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 1mvz s GLN 23 CO 0.13 -0.73 0.01 0.00 -1.32 0.00 0.00 175.29 173.38 1mvz n THR 25 N 1.87 0.49 -1.74 0.00 5.66 -0.66 -4.67 114.28 115.23 1mvz n THR 25 Ca -0.17 -0.41 -0.40 0.00 -3.05 0.00 0.00 64.05 60.01 1mvz n THR 25 Cb 0.53 -0.34 0.01 0.00 -1.55 0.00 0.00 70.33 68.98 1mvz n THR 25 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mvz n ASP 26 N -2.24 3.09 -4.44 1.09 -0.08 -1.21 -4.98 116.55 107.78 1mvz n ASP 26 Ca -0.13 1.13 -0.33 0.00 -1.51 0.00 0.00 54.79 53.95 1mvz n ASP 26 Cb 0.67 -1.57 -0.13 0.00 2.34 0.00 0.00 41.12 42.43 1mvz n ASP 26 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1mvz s VAL 27 N -1.18 3.20 0.00 5.18 1.01 -1.26 -4.54 120.40 122.80 1mvz s VAL 27 Ca 0.60 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1mvz s VAL 27 Cb -0.47 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1mvz s VAL 27 CO 0.58 0.55 0.00 -1.14 0.00 0.00 0.00 175.10 175.09 1mvz n ARG 28 N 3.03 0.00 0.00 2.72 3.00 -0.20 -4.97 116.66 120.24 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 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 2.91 -0.88 -0.14 2.13 -1.26 -1.15 120.64 122.25 1mvz n GLU 29 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1mvz n GLU 29 Cb 0.00 0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.86 1mvz n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1mvz s LYS 30 N 0.01 1.28 0.67 5.31 1.02 -1.26 -4.41 119.74 122.36 1mvz s LYS 30 Ca 0.00 1.66 -0.11 0.00 0.02 0.00 0.00 55.97 57.54 1mvz s LYS 30 Cb 0.00 -1.75 -0.00 0.00 -0.52 0.00 0.00 37.83 35.56 1mvz s LYS 30 CO 0.00 -2.46 1.06 0.00 -0.92 0.00 0.00 175.35 173.03 1mvz s HIS 32 N -3.28 2.50 0.54 0.00 -3.43 -1.26 -4.94 115.29 105.43 1mvz s HIS 32 Ca 0.57 0.60 0.26 0.00 -0.80 0.00 0.00 55.06 55.69 1mvz s HIS 32 Cb -0.11 -3.71 1.44 0.00 -1.43 0.00 0.00 32.58 28.77 1mvz s HIS 32 CO 0.52 -2.07 2.01 1.03 -2.00 0.00 0.00 174.74 174.23 1mvz h SER 33 N -1.25 0.00 -1.68 7.38 0.87 -1.91 -2.11 113.55 114.85 1mvz h SER 33 Ca -0.45 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.42 1mvz h SER 33 Cb 1.30 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.93 1mvz h SER 33 CO 0.57 0.00 0.34 0.00 -0.53 0.00 0.00 176.83 177.21 1mvz n ALA 34 N -2.56 5.94 -3.13 6.23 0.00 -1.26 -4.89 120.51 120.84 1mvz n ALA 34 Ca 0.08 -4.12 -0.24 0.00 0.00 0.00 0.00 53.44 49.16 1mvz n ALA 34 Cb 0.54 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 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 3.42 0.51 -4.17 0.00 5.02 -1.26 -4.89 118.16 116.78 1mvz n LYS 36 Ca -0.20 0.14 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 1mvz n LYS 36 Cb 0.53 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 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 -6.24 5.28 -0.02 4.39 0.15 -1.26 -5.02 113.70 110.98 1mvz s SER 37 Ca -0.29 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1mvz s SER 37 Cb 0.08 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 1mvz s SER 37 CO 0.46 0.17 0.01 0.00 1.20 0.00 0.00 173.24 175.08 1mvz s LEU 39 N 0.73 2.21 0.09 0.00 1.98 -0.30 -4.93 118.68 118.45 1mvz s LEU 39 Ca -0.07 -0.44 0.01 0.00 -2.89 0.00 0.00 54.13 50.74 1mvz s LEU 39 Cb -0.10 -0.03 -0.04 0.00 0.66 0.00 0.00 46.19 46.68 1mvz s LEU 39 CO -0.02 -0.21 -0.06 0.00 -1.89 0.00 0.00 176.35 174.17 1mvz s THR 41 N -3.41 4.84 -2.06 0.00 -1.32 -0.56 -4.99 115.64 108.15 1mvz s THR 41 Ca 0.09 0.47 0.13 0.00 -1.21 0.00 0.00 61.69 61.17 1mvz s THR 41 Cb 0.04 -3.75 0.36 0.00 -1.51 0.00 0.00 72.50 67.64 1mvz s THR 41 CO -0.05 -0.53 1.33 0.54 -2.21 0.00 0.00 174.62 173.71 1mvz n ARG 42 N -1.35 1.86 -0.74 7.08 1.74 -1.26 -4.07 116.66 119.91 1mvz n ARG 42 Ca 0.01 -1.32 -0.30 0.00 -0.77 0.00 0.00 57.85 55.47 1mvz n ARG 42 Cb 0.54 -1.31 0.26 0.00 -1.02 0.00 0.00 32.46 30.93 1mvz n ARG 42 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1mvz s SER 43 N -1.11 0.12 -0.22 0.55 0.01 -1.26 -4.87 113.70 106.92 1mvz s SER 43 Ca 0.27 0.82 0.01 0.00 1.31 0.00 0.00 55.95 58.36 1mvz s SER 43 Cb 0.14 -1.17 0.05 0.00 0.21 0.00 0.00 66.02 65.25 1mvz s SER 43 CO 0.19 -4.63 -0.11 0.12 0.41 0.00 0.00 173.24 169.22 1mvz s PHE 44 N -2.65 2.67 0.45 2.43 5.36 -1.26 -1.59 117.98 123.39 1mvz s PHE 44 Ca 0.70 -1.81 -0.22 0.00 -0.96 0.00 0.00 56.93 54.63 1mvz s PHE 44 Cb -0.13 -1.73 -0.08 0.00 -0.34 0.00 0.00 43.02 40.74 1mvz s PHE 44 CO 0.58 -0.79 1.10 -1.25 -1.46 0.00 0.00 175.22 173.39 1mvz s PRO 45 N 1.31 3.85 -0.53 10.12 0.04 -1.26 -5.09 135.00 143.44 1mvz s PRO 45 Ca -0.03 1.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 1mvz s PRO 45 Cb -0.17 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1mvz s PRO 45 CO -0.08 -0.43 1.42 -1.25 0.04 0.00 0.00 177.00 176.70 1mvz s PRO 46 N -2.80 3.35 0.05 0.56 0.04 -0.62 -4.98 135.00 130.60 1mvz s PRO 46 Ca 0.63 0.55 0.03 0.00 0.04 0.00 0.00 61.00 62.26 1mvz s PRO 46 Cb -0.23 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1mvz s PRO 46 CO 0.29 -1.87 0.01 -1.14 0.04 0.00 0.00 177.00 174.33 1mvz s GLN 47 N 5.41 2.69 0.27 4.56 2.00 -1.26 -4.88 119.66 128.45 1mvz s GLN 47 Ca 0.54 -0.73 0.11 0.00 -2.00 0.00 0.00 55.36 53.28 1mvz s GLN 47 Cb -0.11 -2.62 -0.05 0.00 0.80 0.00 0.00 33.01 31.03 1mvz s GLN 47 CO 0.26 0.58 -0.11 0.00 -0.50 0.00 0.00 175.29 175.52 1mvz s ARG 49 N -3.54 0.88 0.12 0.00 3.52 0.27 -1.03 118.95 119.16 1mvz s ARG 49 Ca 0.30 0.11 -0.27 0.00 -0.13 0.00 0.00 55.73 55.74 1mvz s ARG 49 Cb -0.06 0.41 -0.07 0.00 -1.56 0.00 0.00 34.95 33.67 1mvz s ARG 49 CO 0.17 -0.26 0.85 0.00 -0.81 0.00 0.00 175.30 175.25 1mvz n TYR 51 N 2.34 0.00 -2.77 0.00 4.19 -0.20 -4.58 117.16 116.13 1mvz n TYR 51 Ca -0.02 -0.79 -0.34 0.00 3.31 0.00 0.00 57.90 60.06 1mvz n TYR 51 Cb 0.49 -0.12 -0.06 0.00 0.49 0.00 0.00 39.34 40.14 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 -2.30 6.92 -0.13 2.98 2.15 -1.12 -4.69 116.67 120.47 1mvz s ASP 52 Ca 0.23 1.75 -0.03 0.00 0.43 0.00 0.00 52.55 54.93 1mvz s ASP 52 Cb 0.20 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 1mvz s ASP 52 CO 0.02 -0.37 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.98 1mvz s ILE 53 N -2.06 3.97 0.00 4.11 -1.09 -1.26 -4.59 121.20 120.28 1mvz s ILE 53 Ca 0.61 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 1mvz s ILE 53 Cb -0.12 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1mvz s ILE 53 CO 0.16 0.53 0.00 0.35 -1.23 0.00 0.00 174.94 174.75 1mvz n THR 54 N 3.02 0.00 0.02 2.92 -2.24 -0.52 -5.01 114.28 112.48 1mvz n THR 54 Ca -0.18 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1mvz n THR 54 Cb 0.53 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1mvz n THR 54 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mvz n ASP 55 N -2.85 1.81 -2.79 3.42 9.92 -1.26 -0.76 116.55 124.03 1mvz n ASP 55 Ca 0.00 -1.62 -0.15 0.00 -0.53 0.00 0.00 54.79 52.49 1mvz n ASP 55 Cb 0.00 -0.03 -0.05 0.00 -0.64 0.00 0.00 41.12 40.39 1mvz n ASP 55 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1mvz n PHE 56 N -0.07 -0.83 -3.92 1.24 1.16 -1.26 -4.66 117.46 109.12 1mvz n PHE 56 Ca 0.02 -2.21 -0.11 0.00 -1.87 0.00 0.00 57.45 53.29 1mvz n PHE 56 Cb 0.20 0.30 -0.12 0.00 -1.61 0.00 0.00 39.48 38.25 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 -0.79 3.52 0.76 0.00 2.02 -1.26 -5.05 117.35 116.55 1mvz s TYR 58 Ca -0.09 1.37 -0.15 0.00 -0.37 0.00 0.00 57.07 57.84 1mvz s TYR 58 Cb -0.05 -2.76 0.05 0.00 -0.40 0.00 0.00 41.96 38.80 1mvz s TYR 58 CO -0.00 -0.59 1.22 -1.25 -1.57 0.00 0.00 175.55 173.36 1mvz s PRO 59 N -4.69 1.94 0.34 -1.71 0.04 -1.26 -4.51 135.00 125.14 1mvz s PRO 59 Ca 0.57 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 1mvz s PRO 59 Cb -0.11 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 1mvz s PRO 59 CO 0.44 -2.00 1.51 -1.13 0.04 0.00 0.00 177.00 175.86 1mvz n SER 60 N -2.88 3.70 -3.56 6.66 3.41 -1.26 -3.71 113.62 115.98 1mvz n SER 60 Ca 0.14 1.19 -0.18 0.00 -0.26 0.00 0.00 58.87 59.77 1mvz n SER 60 Cb 0.50 -1.59 0.11 0.00 -0.26 0.00 0.00 64.21 62.96 1mvz n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88