#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmq s LYS 2 N 0.00 3.56 -0.06 1.97 3.01 -1.26 -5.13 119.74 121.83 2kmq s LYS 2 Ca 0.00 0.11 -0.19 0.00 -1.01 0.00 0.00 55.97 54.88 2kmq s LYS 2 Cb 0.00 -2.46 0.04 0.00 -1.01 0.00 0.00 37.83 34.40 2kmq s LYS 2 CO 0.00 -0.08 0.43 0.54 0.51 0.00 0.00 175.35 176.75 2kmq s VAL 3 N -2.56 0.03 0.30 3.17 0.11 -1.26 -5.16 120.40 115.03 2kmq s VAL 3 Ca 0.46 -0.24 -0.29 0.00 -2.93 0.00 0.00 61.98 58.98 2kmq s VAL 3 Cb -0.10 -0.70 -0.10 0.00 -1.53 0.00 0.00 36.38 33.95 2kmq s VAL 3 CO 0.40 -0.13 1.13 0.00 -3.33 0.00 0.00 175.10 173.17 2kmq s ALA 5 N -1.20 3.34 0.07 0.00 0.00 -1.26 -5.05 121.76 117.67 2kmq s ALA 5 Ca 0.47 -2.07 -0.36 0.00 0.00 0.00 0.00 51.96 50.00 2kmq s ALA 5 Cb -0.33 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 19.06 2kmq s ALA 5 CO 0.42 -2.39 1.46 0.00 0.00 0.00 0.00 175.76 175.25 2kmq s PRO 7 N 1.00 1.04 0.00 0.00 0.04 -1.26 -4.98 135.00 130.84 2kmq s PRO 7 Ca 0.84 0.42 0.20 0.00 0.04 0.00 0.00 61.00 62.50 2kmq s PRO 7 Cb -0.87 -1.82 0.98 0.00 0.04 0.00 0.00 34.50 32.83 2kmq s PRO 7 CO 0.46 -2.29 1.66 1.63 0.04 0.00 0.00 177.00 178.50 2kmq n LYS 8 N -3.85 1.31 -0.73 4.56 5.02 -1.26 -4.94 118.16 118.26 2kmq n LYS 8 Ca 0.06 -0.47 -0.31 0.00 -2.02 0.00 0.00 58.31 55.57 2kmq n LYS 8 Cb 0.58 -1.34 0.16 0.00 -0.02 0.00 0.00 35.03 34.41 2kmq n LYS 8 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2kmq s ILE 9 N -1.92 2.15 0.15 -0.18 1.10 -1.26 -5.09 121.20 116.15 2kmq s ILE 9 Ca 0.30 0.05 0.01 0.00 -0.51 0.00 0.00 60.65 60.50 2kmq s ILE 9 Cb 0.15 -2.10 0.01 0.00 0.15 0.00 0.00 42.46 40.66 2kmq s ILE 9 CO 0.24 -0.06 0.05 0.00 -2.11 0.00 0.00 174.94 173.06 2kmq n LEU 10 N -4.20 0.00 -3.33 8.50 -0.00 -1.26 -4.92 117.00 111.79 2kmq n LEU 10 Ca 0.12 -0.90 -0.11 0.00 -0.00 0.00 0.00 56.01 55.12 2kmq n LEU 10 Cb 0.52 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2kmq n LEU 10 CO 0.50 -0.22 0.09 0.29 -0.00 0.00 0.00 177.39 178.04 2kmq n LYS 11 N -0.59 -1.50 -0.73 1.47 5.02 -1.26 -4.97 118.16 115.61 2kmq n LYS 11 Ca -0.04 1.27 -0.29 0.00 -2.02 0.00 0.00 58.31 57.24 2kmq n LYS 11 Cb 0.19 -4.35 0.24 0.00 -0.02 0.00 0.00 35.03 31.09 2kmq n LYS 11 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kmq s PRO 12 N -3.65 -0.97 0.29 1.97 0.04 -1.26 -4.87 135.00 126.56 2kmq s PRO 12 Ca 0.03 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.65 2kmq s PRO 12 Cb -0.01 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 2kmq s PRO 12 CO 0.81 -3.68 0.12 0.14 0.04 0.00 0.00 177.00 174.43 2kmq s VAL 13 N -2.61 0.49 -0.23 -0.36 -7.23 0.12 -2.37 120.40 108.20 2kmq s VAL 13 Ca 0.68 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2kmq s VAL 13 Cb -0.21 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 2kmq s VAL 13 CO 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 175.38 2kmq s GLY 15 N 1.47 1.57 0.00 0.00 0.00 -0.38 -2.01 107.32 107.97 2kmq s GLY 15 Ca 0.05 -0.42 0.29 0.00 0.00 0.00 0.00 44.72 44.64 2kmq s GLY 15 CO -0.02 0.18 1.98 -1.26 0.00 0.00 0.00 173.10 173.97 2kmq n SER 16 N -4.04 0.00 0.04 1.64 2.88 0.11 -1.66 113.62 112.59 2kmq n SER 16 Ca 0.06 0.03 0.13 0.00 -1.33 0.00 0.00 58.87 57.75 2kmq n SER 16 Cb 0.58 -0.34 0.44 0.00 -0.75 0.00 0.00 64.21 64.15 2kmq n SER 16 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kmq n ASP 17 N -1.34 0.43 -0.03 -3.46 2.03 -1.26 -4.96 116.55 107.96 2kmq n ASP 17 Ca 0.12 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2kmq n ASP 17 Cb 0.25 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2kmq n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmq n GLY 18 N 1.41 0.98 3.29 0.27 0.00 -0.66 -5.10 105.19 105.38 2kmq n GLY 18 Ca 0.06 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2kmq n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kmq s ARG 19 N -2.91 1.17 0.20 1.61 6.06 -1.26 -4.92 118.95 118.90 2kmq s ARG 19 Ca 0.00 -1.36 -0.27 0.00 -2.50 0.00 0.00 55.73 51.60 2kmq s ARG 19 Cb 0.00 -1.11 -0.08 0.00 0.06 0.00 0.00 34.95 33.82 2kmq s ARG 19 CO 0.00 0.21 0.84 0.99 -2.50 0.00 0.00 175.30 174.84 2kmq s THR 20 N -2.23 4.26 0.01 4.11 2.01 -1.26 -1.25 115.64 121.28 2kmq s THR 20 Ca 0.14 1.82 0.01 0.00 0.31 0.00 0.00 61.69 63.97 2kmq s THR 20 Cb -0.05 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 2kmq s THR 20 CO 0.05 0.48 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.10 2kmq s TYR 21 N -1.21 0.37 0.50 4.92 2.02 -0.22 -4.93 117.35 118.81 2kmq s TYR 21 Ca 0.39 -0.17 0.25 0.00 -0.37 0.00 0.00 57.07 57.17 2kmq s TYR 21 Cb -0.24 -0.24 1.50 0.00 -0.40 0.00 0.00 41.96 42.59 2kmq s TYR 21 CO 0.28 -0.03 2.14 0.00 -1.57 0.00 0.00 175.55 176.37 2kmq h ALA 22 N 5.70 1.54 -2.96 3.71 0.00 -1.94 0.38 119.26 125.68 2kmq h ALA 22 Ca -0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2kmq h ALA 22 Cb 1.20 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2kmq h ALA 22 CO 0.48 0.09 0.15 1.21 0.00 0.00 0.00 179.25 181.17 2kmq s ASN 23 N -6.42 -0.06 0.45 0.00 3.84 -1.26 -4.27 114.94 107.22 2kmq s ASN 23 Ca -0.04 -0.89 0.11 0.00 0.21 0.00 0.00 52.86 52.25 2kmq s ASN 23 Cb 0.15 0.73 1.01 0.00 -0.55 0.00 0.00 41.25 42.59 2kmq s ASN 23 CO 0.60 -1.41 2.06 0.77 -2.79 0.00 0.00 177.10 176.33 2kmq h SER 24 N 2.06 0.32 -0.70 -4.21 4.64 -1.97 -3.02 113.55 110.66 2kmq h SER 24 Ca -0.25 -0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.21 2kmq h SER 24 Cb 1.25 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 2kmq h SER 24 CO 0.32 0.22 0.47 0.00 -0.87 0.00 0.00 176.83 176.97 2kmq h ILE 26 N 0.38 1.60 -0.71 0.00 1.08 -1.95 -2.81 117.51 115.11 2kmq h ILE 26 Ca 0.34 -2.39 0.12 0.00 -0.39 0.00 0.00 64.86 62.55 2kmq h ILE 26 Cb 0.80 3.21 -0.09 0.00 -3.07 0.00 0.00 36.82 37.67 2kmq h ILE 26 CO -0.10 0.62 0.28 0.00 -0.69 0.00 0.00 178.15 178.26 2kmq h ALA 27 N -0.02 0.97 -0.54 1.87 0.00 -1.63 -2.20 119.26 117.71 2kmq h ALA 27 Ca -0.08 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kmq h ALA 27 Cb 1.24 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2kmq h ALA 27 CO 0.02 -0.18 0.35 0.00 0.00 0.00 0.00 179.25 179.44 2kmq h ARG 28 N 0.45 0.69 0.00 0.00 3.08 -1.35 -0.46 114.38 116.80 2kmq h ARG 28 Ca 0.38 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2kmq h ARG 28 Cb 0.52 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2kmq h ARG 28 CO -0.36 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 2kmq n ASN 30 N -1.55 2.73 0.00 0.00 3.02 -0.57 -4.93 115.26 113.96 2kmq n ASN 30 Ca 0.03 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 2kmq n ASN 30 Cb 0.13 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2kmq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kmq n GLY 31 N 1.05 0.67 3.91 7.41 0.00 -0.75 -5.05 105.19 112.43 2kmq n GLY 31 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2kmq n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kmq s VAL 32 N -2.71 4.33 0.22 1.61 1.01 -0.29 -4.97 120.40 119.60 2kmq s VAL 32 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.15 2kmq s VAL 32 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2kmq s VAL 32 CO 0.00 -0.65 -0.20 -0.94 0.00 0.00 0.00 175.10 173.31 2kmq s SER 33 N -4.19 3.62 0.33 3.32 1.04 -1.26 -3.01 113.70 113.54 2kmq s SER 33 Ca 0.50 -0.86 -0.29 0.00 0.48 0.00 0.00 55.95 55.78 2kmq s SER 33 Cb -0.10 -0.35 -0.10 0.00 0.10 0.00 0.00 66.02 65.57 2kmq s SER 33 CO 0.44 0.09 1.27 -0.51 0.98 0.00 0.00 173.24 175.52 2kmq s ILE 34 N -1.90 2.84 0.13 -1.02 -1.16 -1.26 0.03 121.20 118.86 2kmq s ILE 34 Ca 0.24 0.84 0.00 0.00 -0.51 0.00 0.00 60.65 61.22 2kmq s ILE 34 Cb -0.07 -3.53 0.00 0.00 0.61 0.00 0.00 42.46 39.46 2kmq s ILE 34 CO 0.12 0.20 0.00 1.17 -2.81 0.00 0.00 174.94 173.62 2kmq n LYS 35 N 0.83 0.00 -4.35 3.50 0.00 -0.95 -4.73 118.16 112.46 2kmq n LYS 35 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.12 2kmq n LYS 35 Cb 0.42 -0.31 -0.09 0.00 0.00 0.00 0.00 35.03 35.05 2kmq n LYS 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2kmq s SER 36 N -5.58 1.60 0.35 3.14 0.15 -0.85 -5.05 113.70 107.47 2kmq s SER 36 Ca 0.00 -1.52 0.07 0.00 0.70 0.00 0.00 55.95 55.20 2kmq s SER 36 Cb 0.00 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 2kmq s SER 36 CO 0.00 -0.84 0.35 -1.83 1.20 0.00 0.00 173.24 172.11 2kmq s GLU 37 N -3.86 2.78 0.27 5.44 4.04 -1.26 -0.79 118.70 125.31 2kmq s GLU 37 Ca 0.35 -1.27 0.00 0.00 0.04 0.00 0.00 54.97 54.09 2kmq s GLU 37 Cb 0.06 -2.54 0.00 0.00 0.02 0.00 0.00 34.13 31.67 2kmq s GLU 37 CO 0.16 0.04 0.00 0.41 -1.84 0.00 0.00 175.26 174.03 2kmq n GLY 38 N -1.46 -2.55 3.70 -3.83 0.00 -1.00 -4.52 105.19 95.54 2kmq n GLY 38 Ca -0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2kmq n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kmq s SER 39 N -5.96 6.43 0.31 1.61 0.15 -1.22 -2.77 113.70 112.25 2kmq s SER 39 Ca 0.00 2.77 -0.27 0.00 0.70 0.00 0.00 55.95 59.14 2kmq s SER 39 Cb 0.00 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 2kmq s SER 39 CO 0.00 -0.97 1.00 0.00 1.20 0.00 0.00 173.24 174.46 2kmq s PRO 41 N -1.81 1.16 0.03 0.00 0.04 -1.26 -4.72 135.00 128.44 2kmq s PRO 41 Ca 0.48 0.57 0.17 0.00 0.04 0.00 0.00 61.00 62.27 2kmq s PRO 41 Cb -0.24 -1.82 0.74 0.00 0.04 0.00 0.00 34.50 33.22 2kmq s PRO 41 CO 0.30 -2.24 1.56 2.41 0.04 0.00 0.00 177.00 179.06 2kmq n THR 42 N -3.84 0.84 0.00 1.26 -1.04 -1.26 -4.83 114.28 105.41 2kmq n THR 42 Ca 0.06 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 2kmq n THR 42 Cb 0.57 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 2kmq n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kmq n GLY 43 N 0.23 1.07 0.00 3.41 0.00 -1.26 -5.16 105.19 103.48 2kmq n GLY 43 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2kmq n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71