#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmq n LYS 2 N 0.00 0.00 -2.24 1.64 4.76 -1.26 -5.00 118.16 116.06 2kmq n LYS 2 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 2kmq n LYS 2 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 2kmq n LYS 2 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2kmq s VAL 3 N -2.00 3.57 -0.15 -0.18 1.01 -1.26 -4.67 120.40 116.71 2kmq s VAL 3 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2kmq s VAL 3 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2kmq s VAL 3 CO 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 175.10 173.80 2kmq n ALA 5 N 4.09 -0.58 -1.59 0.00 0.00 -1.26 -4.49 120.51 116.68 2kmq n ALA 5 Ca -0.20 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 2kmq n ALA 5 Cb 0.52 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 -3.60 0.12 0.00 0.00 0.04 -1.26 -5.03 135.00 125.28 2kmq s PRO 7 Ca 0.77 -0.31 0.16 0.00 0.04 0.00 0.00 61.00 61.66 2kmq s PRO 7 Cb -0.31 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.53 2kmq s PRO 7 CO 0.39 -2.78 0.94 1.63 0.04 0.00 0.00 177.00 177.22 2kmq n LYS 8 N -4.05 1.48 -2.78 4.56 5.02 -1.26 -5.02 118.16 116.11 2kmq n LYS 8 Ca 0.15 -1.17 -0.41 0.00 -2.02 0.00 0.00 58.31 54.85 2kmq n LYS 8 Cb 0.59 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 2kmq n LYS 8 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kmq s ILE 9 N -1.59 4.88 -0.18 -0.18 -1.09 -1.26 -4.97 121.20 116.82 2kmq s ILE 9 Ca 0.16 1.93 -0.06 0.00 -2.23 0.00 0.00 60.65 60.45 2kmq s ILE 9 Cb 0.13 -4.26 -0.24 0.00 -1.58 0.00 0.00 42.46 36.51 2kmq s ILE 9 CO 0.29 0.19 3.41 0.18 -1.23 0.00 0.00 174.94 177.78 2kmq n LEU 10 N 3.80 5.37 -3.51 2.97 4.77 -1.26 -4.63 117.00 124.51 2kmq n LEU 10 Ca 0.04 -3.18 -0.27 0.00 -0.03 0.00 0.00 56.01 52.57 2kmq n LEU 10 Cb 0.51 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 2kmq n LEU 10 CO 0.51 1.63 -0.15 0.29 -1.33 0.00 0.00 177.39 178.34 2kmq n LYS 11 N 2.65 1.23 -0.94 3.23 4.76 -1.26 -5.13 118.16 122.70 2kmq n LYS 11 Ca 0.45 -3.86 -0.29 0.00 -2.87 0.00 0.00 58.31 51.74 2kmq n LYS 11 Cb 0.80 -1.88 0.20 0.00 -1.84 0.00 0.00 35.03 32.32 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 -1.13 -0.05 0.24 1.97 0.04 -1.24 -4.65 135.00 130.17 2kmq s PRO 12 Ca 0.32 0.65 0.01 0.00 0.04 0.00 0.00 61.00 62.03 2kmq s PRO 12 Cb 0.06 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2kmq s PRO 12 CO -0.14 -3.09 0.17 0.14 0.04 0.00 0.00 177.00 174.13 2kmq s VAL 13 N -2.78 0.00 -0.25 -0.36 -7.23 0.31 -2.12 120.40 107.97 2kmq s VAL 13 Ca 0.66 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2kmq s VAL 13 Cb -0.21 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.25 2kmq s VAL 13 CO 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.34 2kmq s GLY 15 N 1.35 1.56 0.00 0.00 0.00 -0.31 -2.17 107.32 107.75 2kmq s GLY 15 Ca 0.01 -0.30 0.29 0.00 0.00 0.00 0.00 44.72 44.72 2kmq s GLY 15 CO -0.04 0.35 2.01 -1.26 0.00 0.00 0.00 173.10 174.15 2kmq n SER 16 N -4.39 0.00 0.08 1.64 2.88 0.12 -1.37 113.62 112.57 2kmq n SER 16 Ca 0.05 -0.02 0.12 0.00 -1.33 0.00 0.00 58.87 57.69 2kmq n SER 16 Cb 0.56 -0.32 0.46 0.00 -0.75 0.00 0.00 64.21 64.16 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 -1.32 0.56 -0.05 -3.46 2.03 -1.26 -4.95 116.55 108.10 2kmq n ASP 17 Ca 0.13 0.58 0.00 0.00 0.52 0.00 0.00 54.79 56.01 2kmq n ASP 17 Cb 0.25 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 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 0.94 0.79 3.24 0.27 0.00 -0.47 -5.09 105.19 104.87 2kmq n GLY 18 Ca 0.05 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.34 1.03 0.04 1.61 3.52 -1.25 -4.93 118.95 115.64 2kmq s ARG 19 Ca 0.00 -1.36 -0.20 0.00 -0.13 0.00 0.00 55.73 54.04 2kmq s ARG 19 Cb 0.00 -0.72 -0.06 0.00 -1.56 0.00 0.00 34.95 32.61 2kmq s ARG 19 CO 0.00 0.11 0.58 0.99 -0.81 0.00 0.00 175.30 176.17 2kmq s THR 20 N -2.85 4.80 0.01 4.11 2.01 -1.26 -1.16 115.64 121.30 2kmq s THR 20 Ca 0.13 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.38 2kmq s THR 20 Cb -0.01 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2kmq s THR 20 CO 0.02 0.50 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.08 2kmq s TYR 21 N -0.75 0.46 0.56 4.92 2.02 -0.46 -4.95 117.35 119.15 2kmq s TYR 21 Ca 0.30 -0.21 0.24 0.00 -0.37 0.00 0.00 57.07 57.03 2kmq s TYR 21 Cb -0.19 -0.29 1.60 0.00 -0.40 0.00 0.00 41.96 42.68 2kmq s TYR 21 CO 0.18 -0.04 2.21 0.00 -1.57 0.00 0.00 175.55 176.34 2kmq h ALA 22 N 5.56 1.72 -2.74 3.71 0.00 -1.91 0.89 119.26 126.49 2kmq h ALA 22 Ca -0.30 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.71 2kmq h ALA 22 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2kmq h ALA 22 CO 0.47 -0.00 0.36 1.21 0.00 0.00 0.00 179.25 181.29 2kmq s ASN 23 N -6.52 -0.14 0.45 0.00 3.84 -1.26 -3.70 114.94 107.61 2kmq s ASN 23 Ca -0.05 -0.67 0.16 0.00 0.21 0.00 0.00 52.86 52.50 2kmq s ASN 23 Cb 0.16 0.65 1.10 0.00 -0.55 0.00 0.00 41.25 42.61 2kmq s ASN 23 CO 0.60 -1.24 2.00 0.28 -2.79 0.00 0.00 177.10 175.94 2kmq h SER 24 N 2.00 0.29 -0.18 -4.21 0.02 -1.94 -3.04 113.55 106.48 2kmq h SER 24 Ca -0.24 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2kmq h SER 24 Cb 1.24 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2kmq h SER 24 CO 0.29 0.18 0.15 0.00 -1.14 0.00 0.00 176.83 176.31 2kmq n ILE 26 N -4.17 1.10 -0.12 0.00 -5.35 -1.15 -4.13 119.36 105.53 2kmq n ILE 26 Ca 0.01 -0.50 0.24 0.00 -0.27 0.00 0.00 62.75 62.24 2kmq n ILE 26 Cb 0.28 -0.99 0.69 0.00 -1.74 0.00 0.00 39.64 37.88 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 0.25 2.65 0.00 -1.28 0.00 -1.57 -1.39 119.26 117.92 2kmq h ALA 27 Ca -0.43 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2kmq h ALA 27 Cb 1.77 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2kmq h ALA 27 CO -0.04 -0.87 -0.74 0.00 0.00 0.00 0.00 179.25 177.61 2kmq h ARG 28 N 0.05 0.00 0.00 0.00 2.47 -1.63 -2.21 114.38 113.06 2kmq h ARG 28 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2kmq h ARG 28 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 2kmq h ARG 28 CO -0.02 0.74 0.00 0.00 0.56 0.00 0.00 179.97 181.25 2kmq n ASN 30 N -1.52 2.24 0.00 0.00 3.02 -1.07 -4.90 115.26 113.03 2kmq n ASN 30 Ca 0.05 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 2kmq n ASN 30 Cb 0.22 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.96 0.73 3.89 7.41 0.00 -1.19 -5.06 105.19 111.94 2kmq n GLY 31 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 3.74 0.19 1.61 1.01 -0.85 -5.01 120.40 118.12 2kmq s VAL 32 Ca 0.00 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.53 2kmq s VAL 32 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2kmq s VAL 32 CO 0.00 -0.69 -0.16 -0.55 0.00 0.00 0.00 175.10 173.70 2kmq s SER 33 N -4.32 2.62 0.26 3.32 0.15 -1.26 -3.82 113.70 110.65 2kmq s SER 33 Ca 0.57 -0.95 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 2kmq s SER 33 Cb -0.11 -0.15 -0.09 0.00 -1.71 0.00 0.00 66.02 63.96 2kmq s SER 33 CO 0.51 -0.11 1.15 -0.51 1.20 0.00 0.00 173.24 175.48 2kmq s ILE 34 N -2.55 3.42 0.13 6.45 -1.16 -1.26 0.12 121.20 126.35 2kmq s ILE 34 Ca 0.19 1.36 0.00 0.00 -0.51 0.00 0.00 60.65 61.70 2kmq s ILE 34 Cb -0.03 -3.87 0.00 0.00 0.61 0.00 0.00 42.46 39.17 2kmq s ILE 34 CO 0.07 0.30 0.00 1.17 -2.81 0.00 0.00 174.94 173.66 2kmq n LYS 35 N 1.50 0.00 -4.29 3.50 0.00 -1.02 -4.76 118.16 113.10 2kmq n LYS 35 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.16 2kmq n LYS 35 Cb 0.44 -0.39 -0.10 0.00 0.00 0.00 0.00 35.03 34.98 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 -5.73 1.19 0.38 3.14 0.15 -0.92 -5.05 113.70 106.85 2kmq s SER 36 Ca 0.00 -1.30 0.07 0.00 0.70 0.00 0.00 55.95 55.42 2kmq s SER 36 Cb 0.00 0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2kmq s SER 36 CO 0.00 -0.67 0.49 -1.61 1.20 0.00 0.00 173.24 172.65 2kmq s GLU 37 N -3.99 2.93 0.27 5.44 2.02 -1.26 -0.77 118.70 123.34 2kmq s GLU 37 Ca 0.33 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2kmq s GLU 37 Cb 0.07 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.56 2kmq s GLU 37 CO 0.10 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2kmq n GLY 38 N -1.70 -2.72 3.70 -1.39 0.00 -0.90 -4.55 105.19 97.62 2kmq n GLY 38 Ca 0.03 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2kmq n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kmq s SER 39 N -5.73 6.49 0.40 1.61 1.04 -1.24 -2.71 113.70 113.56 2kmq s SER 39 Ca 0.00 2.68 -0.24 0.00 0.48 0.00 0.00 55.95 58.87 2kmq s SER 39 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 2kmq s SER 39 CO 0.00 -0.95 1.02 0.00 0.98 0.00 0.00 173.24 174.29 2kmq s PRO 41 N -2.56 2.64 0.27 0.00 0.04 -1.26 -4.78 135.00 129.35 2kmq s PRO 41 Ca 0.58 1.06 0.25 0.00 0.04 0.00 0.00 61.00 62.92 2kmq s PRO 41 Cb -0.19 -1.95 0.63 0.00 0.04 0.00 0.00 34.50 33.02 2kmq s PRO 41 CO 0.24 -1.33 1.68 1.15 0.04 0.00 0.00 177.00 178.78 2kmq h THR 42 N -0.87 0.00 0.00 1.26 2.02 -1.97 -3.47 112.91 109.87 2kmq h THR 42 Ca -0.44 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2kmq h THR 42 Cb 1.22 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2kmq h THR 42 CO 0.54 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.04 2kmq n GLY 43 N 1.25 0.71 0.82 2.16 0.00 -1.26 -5.19 105.19 103.67 2kmq n GLY 43 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2kmq n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71