#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 2.38 -1.04 1.97 -0.14 -1.26 -4.86 119.74 116.80 2kmq s LYS 2 Ca 0.00 -1.73 -0.16 0.00 -1.36 0.00 0.00 55.97 52.73 2kmq s LYS 2 Cb 0.00 -2.21 -0.00 0.00 -1.68 0.00 0.00 37.83 33.94 2kmq s LYS 2 CO 0.00 -0.27 0.75 0.28 -0.76 0.00 0.00 175.35 175.35 2kmq n VAL 3 N -1.51 -5.96 -2.10 3.17 0.31 -1.26 -4.97 118.33 106.00 2kmq n VAL 3 Ca 0.01 -0.72 -0.40 0.00 -0.01 0.00 0.00 64.34 63.23 2kmq n VAL 3 Cb 0.63 -4.42 -0.01 0.00 -0.91 0.00 0.00 33.84 29.13 2kmq n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kmq s ALA 5 N -1.24 3.65 0.67 0.00 0.00 -1.26 -5.00 121.76 118.58 2kmq s ALA 5 Ca 0.54 1.29 -0.17 0.00 0.00 0.00 0.00 51.96 53.62 2kmq s ALA 5 Cb -0.38 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.18 2kmq s ALA 5 CO 0.49 -0.71 1.18 0.00 0.00 0.00 0.00 175.76 176.72 2kmq s PRO 7 N -3.36 -0.23 -0.25 0.00 0.04 -1.26 -5.02 135.00 124.92 2kmq s PRO 7 Ca 0.79 -0.09 0.12 0.00 0.04 0.00 0.00 61.00 61.87 2kmq s PRO 7 Cb -0.37 -1.71 0.51 0.00 0.04 0.00 0.00 34.50 32.97 2kmq s PRO 7 CO 0.44 -3.05 1.45 1.17 0.04 0.00 0.00 177.00 177.04 2kmq n LYS 8 N -4.29 2.22 -4.51 4.56 4.81 -1.26 -5.00 118.16 114.69 2kmq n LYS 8 Ca 0.12 -3.03 -0.30 0.00 -0.87 0.00 0.00 58.31 54.23 2kmq n LYS 8 Cb 0.59 -1.82 -0.12 0.00 0.02 0.00 0.00 35.03 33.70 2kmq n LYS 8 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kmq s ILE 9 N -3.08 2.86 0.00 3.15 1.09 -1.26 -5.16 121.20 118.80 2kmq s ILE 9 Ca 0.43 -1.29 0.00 0.00 -1.10 0.00 0.00 60.65 58.70 2kmq s ILE 9 Cb 0.38 -2.25 0.00 0.00 -1.06 0.00 0.00 42.46 39.53 2kmq s ILE 9 CO 0.03 0.25 0.00 0.18 -0.10 0.00 0.00 174.94 175.30 2kmq n LEU 10 N 1.25 0.00 -3.22 2.97 4.32 -1.26 -4.81 117.00 116.25 2kmq n LEU 10 Ca -0.16 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.75 2kmq n LEU 10 Cb 0.52 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.34 2kmq n LEU 10 CO 0.28 -0.24 0.19 0.29 -1.22 0.00 0.00 177.39 176.68 2kmq n LYS 11 N -0.24 -1.55 -0.68 3.23 5.02 -1.26 -4.87 118.16 117.81 2kmq n LYS 11 Ca 0.00 1.20 -0.29 0.00 -2.02 0.00 0.00 58.31 57.20 2kmq n LYS 11 Cb 0.00 -5.35 0.25 0.00 -0.02 0.00 0.00 35.03 29.91 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 -3.74 -1.35 0.24 1.97 0.04 -1.25 -4.79 135.00 126.12 2kmq s PRO 12 Ca 0.15 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.64 2kmq s PRO 12 Cb -0.03 -1.54 -0.05 0.00 0.04 0.00 0.00 34.50 32.93 2kmq s PRO 12 CO 0.77 -3.91 0.10 0.14 0.04 0.00 0.00 177.00 174.14 2kmq s VAL 13 N -2.57 0.41 -0.23 -0.36 -7.23 -0.07 -1.99 120.40 108.37 2kmq s VAL 13 Ca 0.68 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2kmq s VAL 13 Cb -0.19 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2kmq s VAL 13 CO 0.61 -0.03 -0.07 0.00 -0.31 0.00 0.00 175.10 175.30 2kmq s GLY 15 N 1.40 1.57 0.00 0.00 0.00 -0.30 -2.12 107.32 107.87 2kmq s GLY 15 Ca 0.03 -0.40 0.26 0.00 0.00 0.00 0.00 44.72 44.62 2kmq s GLY 15 CO -0.05 0.19 1.86 -1.26 0.00 0.00 0.00 173.10 173.85 2kmq n SER 16 N -4.05 0.00 -0.05 1.64 2.88 0.95 -1.71 113.62 113.29 2kmq n SER 16 Ca 0.06 0.28 0.13 0.00 -1.33 0.00 0.00 58.87 58.00 2kmq n SER 16 Cb 0.58 -0.42 0.47 0.00 -0.75 0.00 0.00 64.21 64.08 2kmq n SER 16 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kmq n ASP 17 N -1.42 0.37 0.00 -3.46 9.92 -1.26 -4.97 116.55 115.73 2kmq n ASP 17 Ca 0.09 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 2kmq n ASP 17 Cb 0.27 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 2kmq n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmq n GLY 18 N 1.43 1.00 3.37 0.44 0.00 -0.69 -5.09 105.19 105.64 2kmq n GLY 18 Ca 0.09 -0.51 -0.24 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 -2.17 1.36 0.13 1.61 6.06 -1.26 -4.97 118.95 119.71 2kmq s ARG 19 Ca 0.00 -1.43 -0.21 0.00 -2.50 0.00 0.00 55.73 51.59 2kmq s ARG 19 Cb 0.00 -1.56 -0.07 0.00 0.06 0.00 0.00 34.95 33.38 2kmq s ARG 19 CO 0.00 0.33 0.66 0.99 -2.50 0.00 0.00 175.30 174.78 2kmq s THR 20 N -1.78 4.60 -0.01 4.11 2.01 -1.26 -1.15 115.64 122.14 2kmq s THR 20 Ca 0.17 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.55 2kmq s THR 20 Cb -0.07 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.48 2kmq s THR 20 CO 0.08 0.46 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.08 2kmq s TYR 21 N -1.22 0.78 0.53 4.92 2.02 -0.16 -4.95 117.35 119.27 2kmq s TYR 21 Ca 0.34 -0.17 0.27 0.00 -0.37 0.00 0.00 57.07 57.14 2kmq s TYR 21 Cb -0.20 -0.54 1.63 0.00 -0.40 0.00 0.00 41.96 42.45 2kmq s TYR 21 CO 0.22 -0.05 2.19 0.00 -1.57 0.00 0.00 175.55 176.33 2kmq h ALA 22 N 6.17 1.53 -2.96 3.71 0.00 -1.93 -0.15 119.26 125.62 2kmq h ALA 22 Ca -0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2kmq h ALA 22 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kmq h ALA 22 CO 0.49 0.05 0.19 -1.71 0.00 0.00 0.00 179.25 178.28 2kmq n ASN 23 N -3.90 -1.87 0.24 0.00 5.15 -1.26 -3.83 115.26 109.78 2kmq n ASN 23 Ca -0.03 -2.39 0.18 0.00 -0.60 0.00 0.00 54.58 51.74 2kmq n ASN 23 Cb 0.13 3.15 0.87 0.00 -0.53 0.00 0.00 39.78 43.40 2kmq n ASN 23 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2kmq h SER 24 N 1.69 0.00 0.08 1.20 4.64 -1.95 -3.12 113.55 116.09 2kmq h SER 24 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2kmq h SER 24 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2kmq h SER 24 CO 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 2kmq n ILE 26 N -2.57 1.14 -0.29 0.00 5.41 -1.18 -4.34 119.36 117.53 2kmq n ILE 26 Ca -0.02 -0.30 0.09 0.00 1.00 0.00 0.00 62.75 63.52 2kmq n ILE 26 Cb 0.07 -1.75 0.25 0.00 -0.71 0.00 0.00 39.64 37.50 2kmq n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kmq h ALA 27 N -0.70 1.30 0.00 -1.39 0.00 -1.71 -1.42 119.26 115.34 2kmq h ALA 27 Ca -0.52 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2kmq h ALA 27 Cb 1.48 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kmq h ALA 27 CO -0.31 -0.18 -0.14 0.00 0.00 0.00 0.00 179.25 178.63 2kmq h ARG 28 N 0.53 0.00 -0.00 0.00 3.08 -1.61 -1.62 114.38 114.75 2kmq h ARG 28 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 2kmq h ARG 28 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2kmq h ARG 28 CO -0.42 0.14 -0.06 0.00 -1.07 0.00 0.00 179.97 178.56 2kmq n ASN 30 N -0.94 1.92 0.00 0.00 3.02 -0.84 -4.44 115.26 113.98 2kmq n ASN 30 Ca 0.17 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 2kmq n ASN 30 Cb 0.24 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.27 0.56 3.92 7.41 0.00 -1.17 -5.04 105.19 110.59 2kmq n GLY 31 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.38 4.38 0.11 1.61 1.01 -0.67 -5.01 120.40 119.45 2kmq s VAL 32 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.11 2kmq s VAL 32 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2kmq s VAL 32 CO 0.00 -0.66 -0.20 -0.94 0.00 0.00 0.00 175.10 173.30 2kmq s SER 33 N -4.19 2.53 0.34 3.32 1.04 -1.26 -3.68 113.70 111.80 2kmq s SER 33 Ca 0.50 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.93 2kmq s SER 33 Cb -0.10 -0.14 -0.11 0.00 0.10 0.00 0.00 66.02 65.77 2kmq s SER 33 CO 0.44 0.04 1.46 -0.51 0.98 0.00 0.00 173.24 175.65 2kmq s ILE 34 N -1.29 2.26 0.06 -1.02 -1.16 -1.26 -0.04 121.20 118.76 2kmq s ILE 34 Ca 0.07 0.25 -0.01 0.00 -0.51 0.00 0.00 60.65 60.45 2kmq s ILE 34 Cb -0.09 -3.16 -0.00 0.00 0.61 0.00 0.00 42.46 39.81 2kmq s ILE 34 CO 0.04 0.05 -0.02 1.17 -2.81 0.00 0.00 174.94 173.38 2kmq n LYS 35 N 1.00 0.03 -4.30 3.50 0.00 -0.90 -4.73 118.16 112.76 2kmq n LYS 35 Ca 0.02 0.01 -0.19 0.00 0.00 0.00 0.00 58.31 58.15 2kmq n LYS 35 Cb 0.40 -0.55 -0.15 0.00 0.00 0.00 0.00 35.03 34.72 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 -5.82 1.05 0.79 3.14 1.04 -1.06 -5.05 113.70 107.79 2kmq s SER 36 Ca -0.02 -0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 2kmq s SER 36 Cb 0.00 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.88 2kmq s SER 36 CO 0.03 0.04 1.09 -1.61 0.98 0.00 0.00 173.24 173.76 2kmq s GLU 37 N 0.31 2.11 0.00 4.02 8.01 -1.26 -0.44 118.70 131.44 2kmq s GLU 37 Ca -0.04 1.13 0.00 0.00 0.01 0.00 0.00 54.97 56.06 2kmq s GLU 37 Cb -0.09 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 27.85 2kmq s GLU 37 CO 0.00 -1.74 0.00 0.41 0.01 0.00 0.00 175.26 173.95 2kmq n GLY 38 N -1.18 -2.55 3.73 -1.39 0.00 -0.84 -4.68 105.19 98.28 2kmq n GLY 38 Ca 0.09 -1.45 -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 -1.26 0.00 0.00 0.00 173.32 172.06 2kmq n SER 39 N -2.06 3.94 -4.77 1.61 2.88 -1.23 -2.53 113.62 111.46 2kmq n SER 39 Ca -0.00 1.11 -0.38 0.00 -1.33 0.00 0.00 58.87 58.27 2kmq n SER 39 Cb 0.00 -1.59 -0.06 0.00 -0.75 0.00 0.00 64.21 61.82 2kmq n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kmq s PRO 41 N -1.86 0.44 0.24 0.00 0.04 -1.26 -4.83 135.00 127.76 2kmq s PRO 41 Ca 0.49 0.47 0.23 0.00 0.04 0.00 0.00 61.00 62.23 2kmq s PRO 41 Cb -0.23 -1.74 0.95 0.00 0.04 0.00 0.00 34.50 33.52 2kmq s PRO 41 CO 0.29 -2.72 1.68 0.25 0.04 0.00 0.00 177.00 176.54 2kmq n THR 42 N -4.16 0.86 0.00 1.26 -2.24 -1.26 -4.81 114.28 103.93 2kmq n THR 42 Ca 0.05 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2kmq n THR 42 Cb 0.58 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2kmq n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kmq n GLY 43 N -0.06 0.73 0.00 3.38 0.00 -1.26 -5.22 105.19 102.75 2kmq n GLY 43 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2kmq n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83