#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 0.66 0.09 1.64 -0.14 -1.26 -5.19 119.74 115.54 2kmq s LYS 2 Ca 0.00 -1.23 -0.15 0.00 -1.36 0.00 0.00 55.97 53.22 2kmq s LYS 2 Cb 0.00 0.22 0.03 0.00 -1.68 0.00 0.00 37.83 36.40 2kmq s LYS 2 CO 0.00 -0.14 0.36 0.54 -0.76 0.00 0.00 175.35 175.36 2kmq s VAL 3 N -3.93 0.08 -0.12 3.17 0.11 -1.26 -5.14 120.40 113.31 2kmq s VAL 3 Ca 0.09 -0.63 -0.29 0.00 -2.93 0.00 0.00 61.98 58.21 2kmq s VAL 3 Cb 0.08 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 2kmq s VAL 3 CO -0.09 -0.35 1.74 0.00 -3.33 0.00 0.00 175.10 173.07 2kmq s ALA 5 N 4.97 2.52 0.66 0.00 0.00 -1.26 -5.06 121.76 123.59 2kmq s ALA 5 Ca 0.77 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 2kmq s ALA 5 Cb -0.31 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2kmq s ALA 5 CO 0.32 -1.20 1.13 0.00 0.00 0.00 0.00 175.76 176.00 2kmq s PRO 7 N -4.01 -0.04 0.00 0.00 0.04 -1.26 -5.05 135.00 124.68 2kmq s PRO 7 Ca 0.68 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2kmq s PRO 7 Cb -0.22 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2kmq s PRO 7 CO 0.41 -2.91 0.60 1.17 0.04 0.00 0.00 177.00 176.31 2kmq n LYS 8 N -4.17 0.72 -4.14 4.56 3.00 -1.26 -5.05 118.16 111.83 2kmq n LYS 8 Ca 0.13 -0.77 -0.34 0.00 -0.00 0.00 0.00 58.31 57.32 2kmq n LYS 8 Cb 0.59 -0.84 -0.08 0.00 0.00 0.00 0.00 35.03 34.71 2kmq n LYS 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kmq s ILE 9 N -0.35 4.77 -0.73 3.15 -1.09 -1.26 -5.02 121.20 120.66 2kmq s ILE 9 Ca 0.00 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 2kmq s ILE 9 Cb 0.00 -3.11 0.07 0.00 -1.58 0.00 0.00 42.46 37.84 2kmq s ILE 9 CO 0.00 0.49 0.71 0.00 -1.23 0.00 0.00 174.94 174.91 2kmq n LEU 10 N 1.65 1.84 -4.03 2.97 -0.00 -1.26 -4.61 117.00 113.56 2kmq n LEU 10 Ca -0.16 -0.93 -0.33 0.00 -0.00 0.00 0.00 56.01 54.59 2kmq n LEU 10 Cb 0.53 -0.52 -0.08 0.00 -0.00 0.00 0.00 43.42 43.35 2kmq n LEU 10 CO 0.34 0.34 0.22 -0.54 -0.00 0.00 0.00 177.39 177.74 2kmq s LYS 11 N -0.96 3.00 0.97 1.47 -0.14 -1.26 -5.10 119.74 117.72 2kmq s LYS 11 Ca 0.05 -3.32 -0.12 0.00 -1.36 0.00 0.00 55.97 51.22 2kmq s LYS 11 Cb 0.04 -3.77 0.17 0.00 -1.68 0.00 0.00 37.83 32.59 2kmq s LYS 11 CO 0.01 -1.27 1.09 -1.25 -0.76 0.00 0.00 175.35 173.16 2kmq s PRO 12 N -1.41 0.67 0.23 -1.68 0.04 -1.22 -4.48 135.00 127.15 2kmq s PRO 12 Ca 0.27 0.89 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2kmq s PRO 12 Cb -0.06 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2kmq s PRO 12 CO -0.14 -2.66 0.16 0.14 0.04 0.00 0.00 177.00 174.54 2kmq s VAL 13 N -2.80 0.00 -0.24 -0.36 -7.23 0.16 -2.24 120.40 107.70 2kmq s VAL 13 Ca 0.65 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2kmq s VAL 13 Cb -0.20 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.25 2kmq s VAL 13 CO 0.59 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.32 2kmq s GLY 15 N 1.37 1.57 0.11 0.00 0.00 -0.37 -2.24 107.32 107.76 2kmq s GLY 15 Ca 0.02 -0.37 0.23 0.00 0.00 0.00 0.00 44.72 44.60 2kmq s GLY 15 CO -0.04 0.24 1.72 -1.14 0.00 0.00 0.00 173.10 173.87 2kmq n SER 16 N -4.16 0.35 -0.02 1.64 3.41 0.11 -1.64 113.62 113.31 2kmq n SER 16 Ca 0.05 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 2kmq n SER 16 Cb 0.57 -0.64 0.55 0.00 -0.26 0.00 0.00 64.21 64.43 2kmq n SER 16 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kmq n ASP 17 N -1.86 0.19 -0.02 4.04 9.92 -1.26 -4.96 116.55 122.61 2kmq n ASP 17 Ca 0.05 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2kmq n ASP 17 Cb 0.29 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 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 1.44 0.88 3.29 0.44 0.00 -0.65 -5.09 105.19 105.50 2kmq n GLY 18 Ca 0.09 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.08 1.14 0.21 1.61 6.06 -1.26 -4.98 118.95 118.66 2kmq s ARG 19 Ca 0.00 -1.25 -0.28 0.00 -2.50 0.00 0.00 55.73 51.70 2kmq s ARG 19 Cb 0.00 -1.23 -0.09 0.00 0.06 0.00 0.00 34.95 33.69 2kmq s ARG 19 CO 0.00 0.26 0.87 0.99 -2.50 0.00 0.00 175.30 174.93 2kmq s THR 20 N -1.69 4.19 -0.01 4.11 2.01 -1.26 -1.23 115.64 121.75 2kmq s THR 20 Ca 0.10 1.93 0.03 0.00 0.31 0.00 0.00 61.69 64.06 2kmq s THR 20 Cb -0.07 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 2kmq s THR 20 CO 0.05 0.50 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.07 2kmq s TYR 21 N -1.18 0.93 0.62 4.92 2.02 -0.25 -4.94 117.35 119.48 2kmq s TYR 21 Ca 0.39 -0.19 0.36 0.00 -0.37 0.00 0.00 57.07 57.25 2kmq s TYR 21 Cb -0.25 -0.62 2.06 0.00 -0.40 0.00 0.00 41.96 42.76 2kmq s TYR 21 CO 0.30 -0.04 2.30 0.00 -1.57 0.00 0.00 175.55 176.54 2kmq h ALA 22 N 6.02 1.33 -2.86 3.71 0.00 -1.90 0.48 119.26 126.03 2kmq h ALA 22 Ca -0.32 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2kmq h ALA 22 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2kmq h ALA 22 CO 0.49 -0.01 0.37 1.21 0.00 0.00 0.00 179.25 181.31 2kmq s ASN 23 N -5.76 0.00 0.00 0.00 3.84 -1.26 -3.39 114.94 108.38 2kmq s ASN 23 Ca -0.05 -1.01 0.18 0.00 0.21 0.00 0.00 52.86 52.19 2kmq s ASN 23 Cb 0.14 0.75 0.85 0.00 -0.55 0.00 0.00 41.25 42.44 2kmq s ASN 23 CO 0.49 -1.48 1.56 -1.54 -2.79 0.00 0.00 177.10 173.34 2kmq n SER 24 N -1.35 0.00 0.19 -4.21 3.41 -1.26 -3.65 113.62 106.74 2kmq n SER 24 Ca -0.07 0.23 0.14 0.00 -0.26 0.00 0.00 58.87 58.91 2kmq n SER 24 Cb 0.60 -0.38 0.41 0.00 -0.26 0.00 0.00 64.21 64.58 2kmq n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kmq n ILE 26 N -2.76 1.03 -0.34 0.00 -5.35 -1.24 -4.31 119.36 106.39 2kmq n ILE 26 Ca 0.03 -0.29 0.19 0.00 -0.27 0.00 0.00 62.75 62.42 2kmq n ILE 26 Cb 0.40 -1.64 0.41 0.00 -1.74 0.00 0.00 39.64 37.07 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 -0.55 1.83 -0.17 -1.28 0.00 -1.74 -1.62 119.26 115.73 2kmq h ALA 27 Ca -0.46 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 2kmq h ALA 27 Cb 1.45 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kmq h ALA 27 CO -0.25 -0.36 -0.60 0.07 0.00 0.00 0.00 179.25 178.11 2kmq h ARG 28 N 0.50 0.56 0.00 0.00 0.11 -1.69 -1.46 114.38 112.39 2kmq h ARG 28 Ca 0.67 -0.38 -0.03 0.00 0.10 0.00 0.00 59.98 60.35 2kmq h ARG 28 Cb 1.36 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.49 2kmq h ARG 28 CO -0.52 0.99 -0.13 0.00 0.10 0.00 0.00 179.97 180.41 2kmq h ASN 30 N 0.00 0.00 0.00 0.00 2.35 -1.35 -3.49 115.58 113.09 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 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2kmq h ASN 30 CO 0.02 0.86 0.00 0.61 -1.65 0.00 0.00 177.43 177.27 2kmq n GLY 31 N 1.47 1.05 3.80 2.83 0.00 -0.84 -5.13 105.19 108.37 2kmq n GLY 31 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 3.75 0.18 1.61 1.01 -0.61 -4.96 120.40 119.38 2kmq s VAL 32 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.64 2kmq s VAL 32 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2kmq s VAL 32 CO 0.00 -0.73 -0.07 -0.94 0.00 0.00 0.00 175.10 173.36 2kmq s SER 33 N -3.60 4.39 0.20 3.32 1.04 -1.26 -3.69 113.70 114.10 2kmq s SER 33 Ca 0.59 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.19 2kmq s SER 33 Cb -0.15 -0.80 -0.08 0.00 0.10 0.00 0.00 66.02 65.09 2kmq s SER 33 CO 0.55 0.09 1.17 -0.51 0.98 0.00 0.00 173.24 175.52 2kmq s ILE 34 N -1.75 3.61 0.10 -1.02 -1.16 -1.26 0.04 121.20 119.76 2kmq s ILE 34 Ca 0.26 1.39 0.00 0.00 -0.51 0.00 0.00 60.65 61.79 2kmq s ILE 34 Cb -0.09 -3.89 0.00 0.00 0.61 0.00 0.00 42.46 39.10 2kmq s ILE 34 CO 0.16 0.24 0.00 1.17 -2.81 0.00 0.00 174.94 173.70 2kmq n LYS 35 N 2.30 0.00 -4.25 3.50 0.00 -1.06 -4.78 118.16 113.88 2kmq n LYS 35 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.19 2kmq n LYS 35 Cb 0.45 -0.46 -0.10 0.00 0.00 0.00 0.00 35.03 34.91 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 -5.83 1.85 0.56 3.14 0.15 -0.95 -5.05 113.70 107.56 2kmq s SER 36 Ca 0.00 -0.98 -0.03 0.00 0.70 0.00 0.00 55.95 55.64 2kmq s SER 36 Cb 0.00 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.30 2kmq s SER 36 CO 0.00 -0.30 0.83 -1.61 1.20 0.00 0.00 173.24 173.36 2kmq s GLU 37 N -3.59 2.81 0.22 5.44 2.02 -1.26 -0.66 118.70 123.68 2kmq s GLU 37 Ca 0.16 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2kmq s GLU 37 Cb 0.01 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.87 2kmq s GLU 37 CO 0.01 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.05 2kmq n GLY 38 N -2.44 -2.61 3.71 -1.39 0.00 -0.95 -4.55 105.19 96.96 2kmq n GLY 38 Ca 0.05 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -5.52 6.49 0.30 1.61 0.15 -1.24 -2.69 113.70 112.79 2kmq s SER 39 Ca 0.00 2.70 -0.28 0.00 0.70 0.00 0.00 55.95 59.07 2kmq s SER 39 Cb 0.00 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.63 2kmq s SER 39 CO 0.00 -0.92 1.03 0.00 1.20 0.00 0.00 173.24 174.55 2kmq s PRO 41 N -1.67 1.81 0.12 0.00 0.04 -1.26 -4.76 135.00 129.29 2kmq s PRO 41 Ca 0.47 0.75 0.13 0.00 0.04 0.00 0.00 61.00 62.39 2kmq s PRO 41 Cb -0.27 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 2kmq s PRO 41 CO 0.34 -1.84 1.10 1.79 0.04 0.00 0.00 177.00 178.43 2kmq h THR 42 N -1.25 1.03 0.00 1.26 1.35 -1.97 -3.46 112.91 109.87 2kmq h THR 42 Ca -0.48 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 62.77 2kmq h THR 42 Cb 1.27 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 2kmq h THR 42 CO 0.57 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 177.03 2kmq n GLY 43 N 1.36 0.00 0.00 5.82 0.00 -1.26 -5.20 105.19 105.91 2kmq n GLY 43 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kmq n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83