#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvp n GLN 21 N 0.00 0.00 -2.25 -0.52 -0.06 -1.26 -5.00 117.38 108.29 3kvp n GLN 21 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.65 3kvp n GLN 21 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3kvp n GLN 21 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3kvp s PRO 22 N 0.00 3.36 -0.02 3.69 0.04 -1.26 -4.79 135.00 136.02 3kvp s PRO 22 Ca 0.00 1.55 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 3kvp s PRO 22 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3kvp s PRO 22 CO 0.00 -0.83 0.07 -0.08 0.04 0.00 0.00 177.00 176.21 3kvp s THR 23 N -1.86 0.02 0.29 1.26 -1.32 -1.26 -5.03 115.64 107.74 3kvp s THR 23 Ca 0.71 -0.16 0.05 0.00 -1.21 0.00 0.00 61.69 61.08 3kvp s THR 23 Cb -0.22 -0.16 -0.06 0.00 -1.51 0.00 0.00 72.50 70.54 3kvp s THR 23 CO 0.27 -0.09 0.01 -0.94 -2.21 0.00 0.00 174.62 171.67 3kvp s SER 24 N -0.25 2.40 0.02 8.08 1.04 -1.26 -4.34 113.70 119.39 3kvp s SER 24 Ca -0.03 -1.29 -0.27 0.00 0.48 0.00 0.00 55.95 54.84 3kvp s SER 24 Cb -0.02 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 66.07 3kvp s SER 24 CO 0.00 -0.51 0.63 0.72 0.98 0.00 0.00 173.24 175.06 3kvp s PHE 25 N -3.23 -0.59 0.38 5.02 -0.12 -0.28 -4.98 117.98 114.19 3kvp s PHE 25 Ca 0.33 0.81 -0.07 0.00 -0.05 0.00 0.00 56.93 57.95 3kvp s PHE 25 Cb 0.07 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 3kvp s PHE 25 CO 0.13 -0.67 0.70 -1.25 -0.05 0.00 0.00 175.22 174.07 3kvp s PRO 26 N -2.03 3.66 0.33 1.99 0.04 -1.26 -0.80 135.00 136.93 3kvp s PRO 26 Ca -0.07 0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.23 3kvp s PRO 26 Cb -0.00 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3kvp s PRO 26 CO 0.02 0.01 0.16 -0.51 0.04 0.00 0.00 177.00 176.72 3kvp s LEU 27 N -3.99 1.78 0.99 -3.56 1.43 -0.42 -4.84 118.68 110.08 3kvp s LEU 27 Ca 0.48 -1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 3kvp s LEU 27 Cb -0.10 0.14 0.19 0.00 0.03 0.00 0.00 46.19 46.44 3kvp s LEU 27 CO 0.34 -0.91 1.09 -1.61 0.23 0.00 0.00 176.35 175.49 3kvp s GLU 28 N -3.75 0.43 -1.45 1.70 2.02 -1.26 -3.96 118.70 112.43 3kvp s GLU 28 Ca 0.33 1.05 -0.08 0.00 0.02 0.00 0.00 54.97 56.29 3kvp s GLU 28 Cb 0.04 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.59 3kvp s GLU 28 CO 0.18 -2.87 0.21 0.72 0.02 0.00 0.00 175.26 173.52 3kvp n HIS 29 N -4.35 -1.34 -1.35 1.61 8.25 -1.26 -1.57 115.22 115.21 3kvp n HIS 29 Ca 0.07 0.51 -0.12 0.00 -0.26 0.00 0.00 57.72 57.92 3kvp n HIS 29 Cb 0.54 -2.92 -0.05 0.00 1.12 0.00 0.00 29.99 28.68 3kvp n HIS 29 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3kvp n ASN 30 N -2.74 -5.51 -4.91 0.41 5.03 -1.26 -4.79 115.26 101.49 3kvp n ASN 30 Ca -0.28 0.30 -0.27 0.00 0.87 0.00 0.00 54.58 55.20 3kvp n ASN 30 Cb 0.67 -4.09 0.03 0.00 -1.02 0.00 0.00 39.78 35.36 3kvp n ASN 30 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3kvp s HIS 31 N -2.11 3.35 0.24 3.10 3.76 -0.61 -0.63 115.29 122.40 3kvp s HIS 31 Ca 0.00 0.76 -0.22 0.00 -0.15 0.00 0.00 55.06 55.46 3kvp s HIS 31 Cb 0.00 -2.69 0.03 0.00 1.11 0.00 0.00 32.58 31.04 3kvp s HIS 31 CO 0.00 -0.75 0.72 -0.59 -0.85 0.00 0.00 174.74 173.27 3kvp s PHE 32 N -2.99 -0.26 0.06 1.40 -0.71 -0.27 -1.30 117.98 113.91 3kvp s PHE 32 Ca 0.53 -0.14 -0.00 0.00 -1.04 0.00 0.00 56.93 56.28 3kvp s PHE 32 Cb -0.11 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 3kvp s PHE 32 CO 0.46 -1.12 -0.04 0.20 -1.34 0.00 0.00 175.22 173.38 3kvp s GLY 33 N -2.88 0.53 0.00 1.99 0.00 0.02 -0.12 107.32 106.86 3kvp s GLY 33 Ca 0.09 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.61 3kvp s GLY 33 CO 0.02 -1.31 0.00 1.55 0.00 0.00 0.00 173.10 173.37 3kvp n VAL 34 N 0.18 0.00 0.00 1.40 3.14 -0.12 -1.13 118.33 121.80 3kvp n VAL 34 Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 3kvp n VAL 34 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 3kvp n VAL 34 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3kvp n GLU 36 N 0.00 0.00 -3.06 1.45 2.13 -0.13 -0.66 120.64 120.36 3kvp n GLU 36 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3kvp n GLU 36 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 3kvp n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3kvp n ASP 37 N 0.00 -7.48 0.00 4.31 2.03 -1.26 -3.11 116.55 111.04 3kvp n ASP 37 Ca 0.00 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 3kvp n ASP 37 Cb 0.00 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 35.59 3kvp n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kvp n GLY 38 N -1.05 0.39 3.35 0.27 0.00 -1.26 -4.94 105.19 101.96 3kvp n GLY 38 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3kvp n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kvp s TYR 39 N -1.91 2.75 -0.23 1.61 1.51 -1.18 -4.20 117.35 115.70 3kvp s TYR 39 Ca 0.00 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.35 3kvp s TYR 39 Cb 0.00 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3kvp s TYR 39 CO 0.00 -0.20 -0.01 0.42 -1.11 0.00 0.00 175.55 174.65 3kvp s ILE 40 N 0.21 3.66 -0.15 2.71 1.01 -0.11 -0.96 121.20 127.58 3kvp s ILE 40 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3kvp s ILE 40 Cb -0.16 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 3kvp s ILE 40 CO 0.06 0.39 -0.15 -0.54 0.00 0.00 0.00 174.94 174.69 3kvp s LYS 41 N 1.52 3.25 -0.15 2.79 1.02 0.16 -0.69 119.74 127.64 3kvp s LYS 41 Ca 0.06 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.24 3kvp s LYS 41 Cb -0.15 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 3kvp s LYS 41 CO -0.01 0.05 0.08 0.42 -0.92 0.00 0.00 175.35 174.97 3kvp s ILE 42 N 0.73 4.94 0.26 2.17 1.09 -0.36 -0.94 121.20 129.09 3kvp s ILE 42 Ca -0.07 0.01 0.05 0.00 -1.10 0.00 0.00 60.65 59.54 3kvp s ILE 42 Cb -0.15 -3.19 -0.05 0.00 -1.06 0.00 0.00 42.46 38.00 3kvp s ILE 42 CO 0.01 0.52 -0.02 -0.31 -0.10 0.00 0.00 174.94 175.04 3kvp s TYR 43 N -0.19 1.75 -0.02 3.97 2.02 0.84 -0.28 117.35 125.44 3kvp s TYR 43 Ca 0.08 -0.83 0.06 0.00 -0.37 0.00 0.00 57.07 56.02 3kvp s TYR 43 Cb -0.12 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 3kvp s TYR 43 CO 0.01 0.10 -0.20 -2.00 -1.57 0.00 0.00 175.55 171.90 3kvp s GLU 44 N -3.80 1.61 -0.25 -0.62 2.12 -0.79 -1.11 118.70 115.85 3kvp s GLU 44 Ca 0.29 -0.70 -0.08 0.00 0.36 0.00 0.00 54.97 54.84 3kvp s GLU 44 Cb 0.05 -1.54 -0.03 0.00 0.26 0.00 0.00 34.13 32.86 3kvp s GLU 44 CO 0.10 0.41 0.10 -0.47 -0.54 0.00 0.00 175.26 174.86 3kvp s TYR 45 N -0.43 3.13 -0.64 5.30 5.04 0.20 -1.62 117.35 128.34 3kvp s TYR 45 Ca 0.07 -0.24 -0.16 0.00 -2.44 0.00 0.00 57.07 54.30 3kvp s TYR 45 Cb -0.08 -2.25 0.16 0.00 0.35 0.00 0.00 41.96 40.14 3kvp s TYR 45 CO -0.01 -0.26 0.60 1.21 -1.34 0.00 0.00 175.55 175.76 3kvp s ASN 46 N 1.51 6.38 0.35 4.32 3.84 -0.25 -4.73 114.94 126.35 3kvp s ASN 46 Ca 0.06 -2.06 0.09 0.00 0.21 0.00 0.00 52.86 51.16 3kvp s ASN 46 Cb -0.15 -2.22 0.82 0.00 -0.55 0.00 0.00 41.25 39.15 3kvp s ASN 46 CO 0.05 -0.78 1.84 -0.08 -2.79 0.00 0.00 177.10 175.34 3kvp h GLU 47 N 8.55 0.67 -0.23 0.43 4.81 -1.95 0.20 114.58 127.06 3kvp h GLU 47 Ca -0.17 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 3kvp h GLU 47 Cb 1.08 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3kvp h GLU 47 CO 0.95 0.45 0.07 1.03 -0.73 0.00 0.00 179.01 180.78 3kvp h SER 48 N 0.69 0.33 0.05 1.04 0.87 -1.96 -2.00 113.55 112.57 3kvp h SER 48 Ca 0.48 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3kvp h SER 48 Cb 0.81 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3kvp h SER 48 CO -0.24 0.44 -0.05 0.54 -0.53 0.00 0.00 176.83 177.00 3kvp n ARG 49 N -4.77 1.42 -3.92 2.24 1.74 -0.95 -4.96 116.66 107.46 3kvp n ARG 49 Ca -0.03 -0.76 -0.30 0.00 -0.77 0.00 0.00 57.85 55.98 3kvp n ARG 49 Cb 0.15 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3kvp n ARG 49 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kvp n ASN 50 N -0.12 -2.14 -3.81 0.55 5.15 0.65 -4.97 115.26 110.56 3kvp n ASN 50 Ca 0.18 -1.07 -0.13 0.00 -0.60 0.00 0.00 54.58 52.96 3kvp n ASN 50 Cb 0.33 -2.85 -0.13 0.00 -0.53 0.00 0.00 39.78 36.60 3kvp n ASN 50 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3kvp s GLU 51 N -6.57 0.15 -0.12 1.20 -1.05 -0.92 -4.98 118.70 106.41 3kvp s GLU 51 Ca 0.20 0.23 -0.06 0.00 -0.15 0.00 0.00 54.97 55.19 3kvp s GLU 51 Cb -0.08 0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 3kvp s GLU 51 CO 0.90 -0.05 0.10 0.08 0.95 0.00 0.00 175.26 177.24 3kvp s VAL 52 N 0.29 5.17 0.01 1.83 1.01 -1.26 -1.09 120.40 126.36 3kvp s VAL 52 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3kvp s VAL 52 Cb -0.03 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3kvp s VAL 52 CO -0.01 0.59 -0.06 -0.54 0.00 0.00 0.00 175.10 175.08 3kvp s LYS 53 N -0.75 0.46 0.16 2.72 1.02 -0.64 -5.00 119.74 117.71 3kvp s LYS 53 Ca 0.13 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 3kvp s LYS 53 Cb -0.12 -0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 36.72 3kvp s LYS 53 CO 0.03 0.10 0.98 -1.17 -0.92 0.00 0.00 175.35 174.37 3kvp s LEU 54 N -0.42 4.54 -0.06 3.17 2.96 -1.26 -1.89 118.68 125.73 3kvp s LEU 54 Ca -0.00 1.89 0.05 0.00 -0.22 0.00 0.00 54.13 55.85 3kvp s LEU 54 Cb -0.04 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 3kvp s LEU 54 CO -0.00 -0.02 0.02 0.29 -1.32 0.00 0.00 176.35 175.31 3kvp n LYS 55 N 2.32 2.96 -3.51 1.98 5.02 0.61 -4.93 118.16 122.61 3kvp n LYS 55 Ca 0.01 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 3kvp n LYS 55 Cb 0.48 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 3kvp n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kvp s LYS 56 N -2.14 0.92 -0.04 1.97 2.47 -1.11 -4.99 119.74 116.82 3kvp s LYS 56 Ca -0.03 -0.05 -0.05 0.00 -1.56 0.00 0.00 55.97 54.29 3kvp s LYS 56 Cb 0.02 0.43 0.01 0.00 -1.46 0.00 0.00 37.83 36.83 3kvp s LYS 56 CO 0.24 -0.34 0.13 -2.00 0.16 0.00 0.00 175.35 173.53 3kvp s GLU 57 N -2.14 0.18 0.28 4.03 2.12 -1.26 -1.22 118.70 120.69 3kvp s GLU 57 Ca -0.02 0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.45 3kvp s GLU 57 Cb -0.01 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 3kvp s GLU 57 CO -0.01 -0.03 0.13 0.71 -0.54 0.00 0.00 175.26 175.52 3kvp s TYR 58 N -0.06 1.56 0.00 5.30 1.51 0.14 -4.98 117.35 120.81 3kvp s TYR 58 Ca -0.01 -1.29 0.00 0.00 -1.01 0.00 0.00 57.07 54.76 3kvp s TYR 58 Cb -0.02 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3kvp s TYR 58 CO 0.00 -0.44 0.00 0.00 -1.11 0.00 0.00 175.55 174.00 3kvp n ALA 59 N -0.53 2.43 -3.72 3.71 0.00 -1.26 -0.93 120.51 120.21 3kvp n ALA 59 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3kvp n ALA 59 Cb 0.66 0.07 -0.16 0.00 0.00 0.00 0.00 19.45 20.02 3kvp n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kvp s ASP 60 N -3.95 3.58 0.00 0.00 -0.00 -1.26 -5.73 116.67 109.31 3kvp s ASP 60 Ca 0.00 -1.29 0.02 0.00 -0.00 0.00 0.00 52.55 51.27 3kvp s ASP 60 Cb 0.00 -0.72 0.01 0.00 -0.00 0.00 0.00 42.92 42.21 3kvp s ASP 60 CO 0.00 -0.37 0.55 0.47 -0.00 0.00 0.00 175.17 175.82