#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 3.83 -0.07 1.97 2.20 -1.26 -4.95 119.74 121.45 2kmq s LYS 2 Ca 0.00 2.26 -0.30 0.00 -0.36 0.00 0.00 55.97 57.57 2kmq s LYS 2 Cb 0.00 -4.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 2kmq s LYS 2 CO 0.00 -1.30 1.49 0.08 -0.36 0.00 0.00 175.35 175.26 2kmq s VAL 3 N 5.53 3.80 -1.81 4.02 1.01 -1.26 -4.93 120.40 126.76 2kmq s VAL 3 Ca 0.87 1.02 0.22 0.00 0.00 0.00 0.00 61.98 64.09 2kmq s VAL 3 Cb -0.36 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2kmq s VAL 3 CO 0.37 -0.07 1.04 0.00 0.00 0.00 0.00 175.10 176.44 2kmq n ALA 5 N -0.33 2.35 -1.56 0.00 0.00 -1.26 -4.42 120.51 115.28 2kmq n ALA 5 Ca 0.08 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.58 2kmq n ALA 5 Cb 0.44 -2.46 0.05 0.00 0.00 0.00 0.00 19.45 17.48 2kmq n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmq s PRO 7 N -3.75 0.76 0.00 0.00 0.04 -1.26 -5.01 135.00 125.78 2kmq s PRO 7 Ca 0.73 0.25 0.27 0.00 0.04 0.00 0.00 61.00 62.29 2kmq s PRO 7 Cb -0.26 -1.80 0.75 0.00 0.04 0.00 0.00 34.50 33.23 2kmq s PRO 7 CO 0.39 -2.45 1.57 0.36 0.04 0.00 0.00 177.00 176.90 2kmq n LYS 8 N -3.94 1.70 -1.29 4.56 2.85 -1.26 -4.92 118.16 115.87 2kmq n LYS 8 Ca 0.07 -1.14 -0.32 0.00 -1.05 0.00 0.00 58.31 55.87 2kmq n LYS 8 Cb 0.59 -1.48 0.10 0.00 -0.65 0.00 0.00 35.03 33.59 2kmq n LYS 8 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2kmq s ILE 9 N -2.09 2.82 -0.69 0.58 2.07 -1.26 -4.99 121.20 117.64 2kmq s ILE 9 Ca 0.33 0.32 -0.02 0.00 -1.41 0.00 0.00 60.65 59.87 2kmq s ILE 9 Cb 0.20 -2.73 0.43 0.00 0.13 0.00 0.00 42.46 40.50 2kmq s ILE 9 CO 0.36 -0.30 2.03 -0.11 -1.91 0.00 0.00 174.94 175.01 2kmq n LEU 10 N -3.26 7.65 -3.37 8.50 7.94 -1.26 -4.77 117.00 128.43 2kmq n LEU 10 Ca 0.11 -4.38 -0.26 0.00 -1.11 0.00 0.00 56.01 50.36 2kmq n LEU 10 Cb 0.52 -0.99 -0.08 0.00 0.53 0.00 0.00 43.42 43.41 2kmq n LEU 10 CO 0.50 1.52 -0.04 0.29 -1.11 0.00 0.00 177.39 178.56 2kmq n LYS 11 N -0.86 1.97 -0.98 1.96 4.76 -1.26 -5.10 118.16 118.65 2kmq n LYS 11 Ca 0.61 -4.24 -0.28 0.00 -2.87 0.00 0.00 58.31 51.53 2kmq n LYS 11 Cb 0.60 -1.96 0.20 0.00 -1.84 0.00 0.00 35.03 32.03 2kmq n LYS 11 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kmq s PRO 12 N -2.05 -0.10 0.22 1.97 0.04 -1.23 -4.55 135.00 129.30 2kmq s PRO 12 Ca 0.38 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 2kmq s PRO 12 Cb 0.15 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.97 2kmq s PRO 12 CO -0.05 -3.10 0.12 0.14 0.04 0.00 0.00 177.00 174.15 2kmq s VAL 13 N -2.82 0.22 -0.23 -0.36 -7.23 0.18 -2.15 120.40 108.01 2kmq s VAL 13 Ca 0.66 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.81 2kmq s VAL 13 Cb -0.20 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.19 2kmq s VAL 13 CO 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.33 2kmq s GLY 15 N 1.40 1.58 0.00 0.00 0.00 -0.09 -1.97 107.32 108.25 2kmq s GLY 15 Ca 0.03 -0.26 0.28 0.00 0.00 0.00 0.00 44.72 44.77 2kmq s GLY 15 CO -0.04 0.30 1.92 -1.26 0.00 0.00 0.00 173.10 174.02 2kmq n SER 16 N -4.04 0.00 0.07 1.64 2.88 0.11 -1.67 113.62 112.60 2kmq n SER 16 Ca 0.06 0.15 0.13 0.00 -1.33 0.00 0.00 58.87 57.88 2kmq n SER 16 Cb 0.57 -0.38 0.48 0.00 -0.75 0.00 0.00 64.21 64.13 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 -1.38 0.53 -0.05 -3.46 2.03 -1.26 -4.95 116.55 108.00 2kmq n ASP 17 Ca 0.10 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2kmq n ASP 17 Cb 0.26 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 1.35 1.01 3.26 0.27 0.00 -0.67 -5.10 105.19 105.31 2kmq n GLY 18 Ca 0.06 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.83 1.06 0.16 1.61 6.06 -1.25 -4.98 118.95 118.77 2kmq s ARG 19 Ca 0.00 -1.19 -0.23 0.00 -2.50 0.00 0.00 55.73 51.81 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 0.24 0.73 0.99 -2.50 0.00 0.00 175.30 174.76 2kmq s THR 20 N -1.64 4.46 -0.01 4.11 2.01 -1.26 -0.91 115.64 122.40 2kmq s THR 20 Ca 0.07 1.56 0.02 0.00 0.31 0.00 0.00 61.69 63.66 2kmq s THR 20 Cb -0.08 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 2kmq s THR 20 CO 0.04 0.49 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.07 2kmq s TYR 21 N -1.20 0.71 0.59 4.92 2.02 -0.16 -4.94 117.35 119.30 2kmq s TYR 21 Ca 0.36 -0.14 0.32 0.00 -0.37 0.00 0.00 57.07 57.24 2kmq s TYR 21 Cb -0.22 -0.46 1.91 0.00 -0.40 0.00 0.00 41.96 42.79 2kmq s TYR 21 CO 0.24 -0.02 2.27 0.00 -1.57 0.00 0.00 175.55 176.47 2kmq h ALA 22 N 5.99 1.43 -3.00 3.71 0.00 -1.92 0.54 119.26 126.01 2kmq h ALA 22 Ca -0.30 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2kmq h ALA 22 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kmq h ALA 22 CO 0.50 0.01 0.24 1.21 0.00 0.00 0.00 179.25 181.21 2kmq s ASN 23 N -6.00 0.10 0.60 0.00 2.47 -1.26 -3.51 114.94 107.34 2kmq s ASN 23 Ca -0.05 -1.21 0.36 0.00 0.42 0.00 0.00 52.86 52.38 2kmq s ASN 23 Cb 0.15 0.85 1.92 0.00 -1.45 0.00 0.00 41.25 42.71 2kmq s ASN 23 CO 0.53 -1.69 2.22 0.77 -3.72 0.00 0.00 177.10 175.21 2kmq h SER 24 N 2.01 0.00 0.08 -4.21 4.64 -1.91 -3.30 113.55 110.86 2kmq h SER 24 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2kmq h SER 24 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2kmq h SER 24 CO 0.41 0.03 -0.04 0.00 -0.87 0.00 0.00 176.83 176.36 2kmq n ILE 26 N -4.05 1.55 -0.34 0.00 -5.35 -1.24 -3.95 119.36 105.98 2kmq n ILE 26 Ca -0.03 -0.44 0.17 0.00 -0.27 0.00 0.00 62.75 62.19 2kmq n ILE 26 Cb 0.13 -1.72 0.39 0.00 -1.74 0.00 0.00 39.64 36.69 2kmq n ILE 26 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmq h ALA 27 N -0.44 1.83 0.00 -1.28 0.00 -1.70 -1.85 119.26 115.82 2kmq h ALA 27 Ca -0.58 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2kmq h ALA 27 Cb 1.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2kmq h ALA 27 CO -0.21 -0.26 -0.81 0.00 0.00 0.00 0.00 179.25 177.96 2kmq h ARG 28 N 0.61 0.00 0.00 0.00 3.08 -1.57 -0.68 114.38 115.82 2kmq h ARG 28 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.66 2kmq h ARG 28 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2kmq h ARG 28 CO -0.41 0.81 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 2kmq h ASN 30 N 0.00 0.00 0.00 0.00 2.35 -1.34 -3.49 115.58 113.10 2kmq h ASN 30 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kmq h ASN 30 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2kmq h ASN 30 CO 0.00 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.65 2kmq n GLY 31 N 1.27 0.80 3.80 2.83 0.00 -0.78 -5.12 105.19 107.99 2kmq n GLY 31 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.76 0.05 1.61 1.01 -0.33 -4.95 120.40 119.56 2kmq s VAL 32 Ca 0.00 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.66 2kmq s VAL 32 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2kmq s VAL 32 CO 0.00 -0.72 -0.21 -0.94 0.00 0.00 0.00 175.10 173.22 2kmq s SER 33 N -3.55 3.56 0.30 3.32 1.04 -1.26 -3.47 113.70 113.64 2kmq s SER 33 Ca 0.60 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 56.22 2kmq s SER 33 Cb -0.15 -0.47 -0.11 0.00 0.10 0.00 0.00 66.02 65.39 2kmq s SER 33 CO 0.53 0.25 1.49 -0.51 0.98 0.00 0.00 173.24 175.98 2kmq s ILE 34 N -0.91 2.33 0.03 -1.02 -1.16 -1.26 0.05 121.20 119.25 2kmq s ILE 34 Ca 0.14 0.29 -0.02 0.00 -0.51 0.00 0.00 60.65 60.55 2kmq s ILE 34 Cb -0.10 -3.19 -0.01 0.00 0.61 0.00 0.00 42.46 39.77 2kmq s ILE 34 CO 0.05 0.06 -0.05 1.17 -2.81 0.00 0.00 174.94 173.35 2kmq n LYS 35 N 1.67 0.08 -4.26 3.50 0.00 -0.83 -4.75 118.16 113.56 2kmq n LYS 35 Ca 0.05 0.03 -0.17 0.00 0.00 0.00 0.00 58.31 58.22 2kmq n LYS 35 Cb 0.39 -0.64 -0.14 0.00 0.00 0.00 0.00 35.03 34.64 2kmq n LYS 35 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2kmq s SER 36 N -5.80 0.94 0.80 3.14 1.04 -1.08 -5.05 113.70 107.69 2kmq s SER 36 Ca -0.05 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 2kmq s SER 36 Cb 0.01 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.12 2kmq s SER 36 CO 0.07 0.05 1.09 -1.61 0.98 0.00 0.00 173.24 173.81 2kmq s GLU 37 N -0.45 2.07 0.04 4.02 2.02 -1.26 -0.53 118.70 124.61 2kmq s GLU 37 Ca 0.01 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2kmq s GLU 37 Cb -0.04 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2kmq s GLU 37 CO -0.00 -1.69 0.00 0.41 0.02 0.00 0.00 175.26 174.00 2kmq n GLY 38 N -1.58 -2.48 3.73 -1.39 0.00 -0.91 -4.64 105.19 97.91 2kmq n GLY 38 Ca 0.08 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -4.48 6.48 0.24 1.61 0.15 -1.25 -2.52 113.70 113.93 2kmq s SER 39 Ca 0.00 2.77 -0.30 0.00 0.70 0.00 0.00 55.95 59.12 2kmq s SER 39 Cb 0.00 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 2kmq s SER 39 CO 0.00 -0.89 1.01 0.00 1.20 0.00 0.00 173.24 174.56 2kmq s PRO 41 N -1.14 2.46 0.14 0.00 0.04 -1.26 -4.82 135.00 130.43 2kmq s PRO 41 Ca 0.43 1.13 0.27 0.00 0.04 0.00 0.00 61.00 62.87 2kmq s PRO 41 Cb -0.28 -1.92 0.87 0.00 0.04 0.00 0.00 34.50 33.21 2kmq s PRO 41 CO 0.35 -1.48 1.77 2.41 0.04 0.00 0.00 177.00 180.09 2kmq n THR 42 N -3.35 0.40 0.00 1.26 -1.04 -1.26 -4.92 114.28 105.37 2kmq n THR 42 Ca 0.09 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2kmq n THR 42 Cb 0.53 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 1.37 1.09 0.00 3.41 0.00 -1.26 -5.26 105.19 104.54 2kmq n GLY 43 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kmq n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83