#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmq h LYS 2 N 0.00 -0.40 -7.31 1.97 3.64 -2.07 -3.46 116.57 108.94 2kmq h LYS 2 Ca 0.00 0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.90 2kmq h LYS 2 Cb 0.00 0.09 0.07 0.00 -0.41 0.00 0.00 32.23 31.98 2kmq h LYS 2 CO 0.00 -0.27 0.39 0.14 -2.27 0.00 0.00 179.45 177.44 2kmq s VAL 3 N -2.91 4.32 -0.18 2.00 -7.23 -1.26 -5.03 120.40 110.10 2kmq s VAL 3 Ca -0.06 0.83 0.15 0.00 -1.81 0.00 0.00 61.98 61.08 2kmq s VAL 3 Cb 0.01 -3.61 -0.22 0.00 0.56 0.00 0.00 36.38 33.12 2kmq s VAL 3 CO 0.18 -0.91 0.04 0.00 -0.31 0.00 0.00 175.10 174.10 2kmq n ALA 5 N -2.72 1.36 -3.79 0.00 0.00 -1.26 -5.10 120.51 109.00 2kmq n ALA 5 Ca -0.31 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 2kmq n ALA 5 Cb 1.07 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.53 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 -5.47 2.18 -1.50 0.00 0.04 -1.26 -4.93 135.00 124.06 2kmq s PRO 7 Ca 0.16 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.23 2kmq s PRO 7 Cb -0.08 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2kmq s PRO 7 CO 0.90 -1.69 2.43 1.63 0.04 0.00 0.00 177.00 180.31 2kmq n LYS 8 N -3.56 3.11 -4.12 4.56 5.02 -1.26 -4.89 118.16 117.03 2kmq n LYS 8 Ca 0.09 -2.51 -0.15 0.00 -2.02 0.00 0.00 58.31 53.72 2kmq n LYS 8 Cb 0.53 -3.14 -0.14 0.00 -0.02 0.00 0.00 35.03 32.25 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 2.84 0.36 0.00 -0.18 1.10 -1.26 -5.17 121.20 118.88 2kmq s ILE 9 Ca 0.53 -0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.47 2kmq s ILE 9 Cb 0.15 -0.31 0.00 0.00 0.15 0.00 0.00 42.46 42.46 2kmq s ILE 9 CO -0.08 0.09 0.00 -0.11 -2.11 0.00 0.00 174.94 172.73 2kmq n LEU 10 N 2.95 0.00 -3.32 8.50 7.94 -1.26 -4.87 117.00 126.94 2kmq n LEU 10 Ca -0.13 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.66 2kmq n LEU 10 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 2kmq n LEU 10 CO 0.25 -0.20 0.08 1.17 -1.11 0.00 0.00 177.39 177.59 2kmq n LYS 11 N -0.39 -1.54 -0.77 1.96 4.81 -1.26 -4.87 118.16 116.09 2kmq n LYS 11 Ca 0.00 1.30 -0.28 0.00 -0.87 0.00 0.00 58.31 58.46 2kmq n LYS 11 Cb 0.00 -4.34 0.22 0.00 0.02 0.00 0.00 35.03 30.93 2kmq n LYS 11 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kmq s PRO 12 N -3.59 -0.43 0.27 1.64 0.04 -1.26 -4.79 135.00 126.88 2kmq s PRO 12 Ca 0.05 0.73 0.02 0.00 0.04 0.00 0.00 61.00 61.84 2kmq s PRO 12 Cb -0.01 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 2kmq s PRO 12 CO 0.81 -3.37 0.14 0.14 0.04 0.00 0.00 177.00 174.77 2kmq s VAL 13 N -2.65 0.29 -0.23 -0.36 -7.23 0.07 -2.29 120.40 108.01 2kmq s VAL 13 Ca 0.67 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2kmq s VAL 13 Cb -0.23 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.18 2kmq s VAL 13 CO 0.62 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.34 2kmq s GLY 15 N 1.40 1.57 0.18 0.00 0.00 -0.32 -2.36 107.32 107.79 2kmq s GLY 15 Ca 0.04 -0.33 0.25 0.00 0.00 0.00 0.00 44.72 44.68 2kmq s GLY 15 CO -0.05 0.28 1.75 -1.26 0.00 0.00 0.00 173.10 173.82 2kmq n SER 16 N -4.18 0.58 0.00 1.64 2.88 0.10 -1.59 113.62 113.05 2kmq n SER 16 Ca 0.05 0.59 0.14 0.00 -1.33 0.00 0.00 58.87 58.32 2kmq n SER 16 Cb 0.57 -0.73 0.67 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.08 0.00 0.00 -3.46 9.92 -1.26 -4.94 116.55 114.73 2kmq n ASP 17 Ca 0.04 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 2kmq n ASP 17 Cb 0.33 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 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 1.42 0.88 3.35 0.44 0.00 -0.62 -5.09 105.19 105.57 2kmq n GLY 18 Ca 0.10 -0.58 -0.25 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 -2.20 1.31 0.25 1.61 6.06 -1.26 -4.95 118.95 119.77 2kmq s ARG 19 Ca 0.00 -1.36 -0.30 0.00 -2.50 0.00 0.00 55.73 51.57 2kmq s ARG 19 Cb 0.00 -1.55 -0.09 0.00 0.06 0.00 0.00 34.95 33.37 2kmq s ARG 19 CO 0.00 0.34 0.99 0.99 -2.50 0.00 0.00 175.30 175.12 2kmq s THR 20 N -1.57 3.90 0.00 4.11 2.01 -1.26 -1.17 115.64 121.66 2kmq s THR 20 Ca 0.14 1.91 0.03 0.00 0.31 0.00 0.00 61.69 64.07 2kmq s THR 20 Cb -0.08 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2kmq s THR 20 CO 0.07 0.45 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.06 2kmq s TYR 21 N -1.14 0.73 0.55 4.92 2.02 -0.17 -4.93 117.35 119.33 2kmq s TYR 21 Ca 0.42 -0.18 0.21 0.00 -0.37 0.00 0.00 57.07 57.15 2kmq s TYR 21 Cb -0.28 -0.46 1.47 0.00 -0.40 0.00 0.00 41.96 42.29 2kmq s TYR 21 CO 0.35 -0.01 2.19 0.00 -1.57 0.00 0.00 175.55 176.50 2kmq h ALA 22 N 5.73 1.84 -2.97 3.71 0.00 -1.92 0.24 119.26 125.89 2kmq h ALA 22 Ca -0.31 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2kmq h ALA 22 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2kmq h ALA 22 CO 0.48 -0.01 0.26 1.21 0.00 0.00 0.00 179.25 181.19 2kmq s ASN 23 N -6.73 -0.18 0.52 0.00 3.84 -1.26 -4.00 114.94 107.12 2kmq s ASN 23 Ca -0.05 -0.74 0.23 0.00 0.21 0.00 0.00 52.86 52.51 2kmq s ASN 23 Cb 0.16 0.75 1.40 0.00 -0.55 0.00 0.00 41.25 43.01 2kmq s ASN 23 CO 0.63 -1.42 2.10 -1.28 -2.79 0.00 0.00 177.10 174.34 2kmq h SER 24 N 2.00 0.00 0.01 -4.21 0.87 -1.96 -3.22 113.55 107.04 2kmq h SER 24 Ca -0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2kmq h SER 24 Cb 1.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2kmq h SER 24 CO 0.28 0.10 -0.00 0.00 -0.53 0.00 0.00 176.83 176.67 2kmq n ILE 26 N -3.47 1.10 -0.25 0.00 -5.35 -1.22 -4.25 119.36 105.93 2kmq n ILE 26 Ca -0.03 -0.36 0.19 0.00 -0.27 0.00 0.00 62.75 62.28 2kmq n ILE 26 Cb 0.08 -1.41 0.51 0.00 -1.74 0.00 0.00 39.64 37.09 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 -0.28 2.22 0.00 -1.28 0.00 -1.67 -2.20 119.26 116.04 2kmq h ALA 27 Ca -0.46 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 2kmq h ALA 27 Cb 1.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2kmq h ALA 27 CO -0.16 -0.51 -0.82 0.00 0.00 0.00 0.00 179.25 177.76 2kmq h ARG 28 N 0.40 0.00 0.00 0.00 3.08 -1.63 -1.78 114.38 114.46 2kmq h ARG 28 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2kmq h ARG 28 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2kmq h ARG 28 CO -0.18 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 2kmq n ASN 30 N -1.62 2.48 0.00 0.00 3.02 -1.05 -4.99 115.26 113.10 2kmq n ASN 30 Ca 0.05 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2kmq n ASN 30 Cb 0.28 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 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 1.13 0.77 3.86 7.41 0.00 -1.13 -5.07 105.19 112.16 2kmq n GLY 31 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.94 4.23 0.15 1.61 1.01 -0.69 -5.00 120.40 118.78 2kmq s VAL 32 Ca 0.00 0.72 0.11 0.00 0.00 0.00 0.00 61.98 62.82 2kmq s VAL 32 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2kmq s VAL 32 CO 0.00 -0.95 -0.26 -0.94 0.00 0.00 0.00 175.10 172.96 2kmq s SER 33 N -4.11 3.37 0.28 3.32 1.04 -1.26 -3.76 113.70 112.58 2kmq s SER 33 Ca 0.57 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 55.91 2kmq s SER 33 Cb -0.12 -0.24 -0.10 0.00 0.10 0.00 0.00 66.02 65.67 2kmq s SER 33 CO 0.54 0.16 1.26 -0.51 0.98 0.00 0.00 173.24 175.67 2kmq s ILE 34 N -1.30 3.03 0.12 -1.02 -1.16 -1.26 0.02 121.20 119.62 2kmq s ILE 34 Ca 0.17 0.97 0.00 0.00 -0.51 0.00 0.00 60.65 61.28 2kmq s ILE 34 Cb -0.09 -3.62 0.00 0.00 0.61 0.00 0.00 42.46 39.36 2kmq s ILE 34 CO 0.08 0.21 0.00 1.17 -2.81 0.00 0.00 174.94 173.58 2kmq n LYS 35 N 1.42 0.00 -4.22 3.50 0.00 -1.06 -4.76 118.16 113.03 2kmq n LYS 35 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.17 2kmq n LYS 35 Cb 0.43 -0.35 -0.11 0.00 0.00 0.00 0.00 35.03 35.00 2kmq n LYS 35 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2kmq s SER 36 N -5.69 1.70 0.72 3.14 0.01 -0.99 -5.05 113.70 107.53 2kmq s SER 36 Ca 0.00 -0.89 -0.08 0.00 1.31 0.00 0.00 55.95 56.29 2kmq s SER 36 Cb 0.00 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.27 2kmq s SER 36 CO 0.00 -0.26 1.04 -1.83 0.41 0.00 0.00 173.24 172.60 2kmq s GLU 37 N -3.12 2.25 0.26 12.44 -1.05 -1.26 -0.51 118.70 127.72 2kmq s GLU 37 Ca 0.10 -0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.81 2kmq s GLU 37 Cb -0.01 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.55 2kmq s GLU 37 CO 0.01 -1.25 0.00 0.41 0.95 0.00 0.00 175.26 175.38 2kmq n GLY 38 N -2.98 -2.63 3.71 -3.83 0.00 -0.97 -4.47 105.19 94.02 2kmq n GLY 38 Ca 0.08 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 -5.81 6.52 0.18 1.61 0.15 -1.23 -2.67 113.70 112.44 2kmq s SER 39 Ca 0.00 2.66 -0.30 0.00 0.70 0.00 0.00 55.95 59.02 2kmq s SER 39 Cb 0.00 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 2kmq s SER 39 CO 0.00 -0.91 1.01 0.00 1.20 0.00 0.00 173.24 174.54 2kmq s PRO 41 N -0.53 2.21 0.00 0.00 0.04 -1.26 -4.69 135.00 130.78 2kmq s PRO 41 Ca 0.46 1.02 0.31 0.00 0.04 0.00 0.00 61.00 62.82 2kmq s PRO 41 Cb -0.26 -1.90 1.60 0.00 0.04 0.00 0.00 34.50 33.98 2kmq s PRO 41 CO 0.33 -1.63 2.06 0.25 0.04 0.00 0.00 177.00 178.05 2kmq n THR 42 N -3.49 0.00 0.00 1.26 -2.24 -1.26 -4.75 114.28 103.80 2kmq n THR 42 Ca 0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kmq n THR 42 Cb 0.54 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.06 0.06 0.00 3.38 0.00 -1.26 -5.22 105.19 103.21 2kmq n GLY 43 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2kmq n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71