#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 0.42 -0.00 1.64 2.20 -1.26 -5.18 119.74 117.55 2kmq s LYS 2 Ca 0.00 -0.33 -0.19 0.00 -0.36 0.00 0.00 55.97 55.09 2kmq s LYS 2 Cb 0.00 0.17 0.04 0.00 -1.51 0.00 0.00 37.83 36.53 2kmq s LYS 2 CO 0.00 -0.09 0.41 0.54 -0.36 0.00 0.00 175.35 175.85 2kmq s VAL 3 N -1.17 0.05 0.04 4.02 0.11 -1.26 -5.17 120.40 117.02 2kmq s VAL 3 Ca -0.13 -0.38 -0.19 0.00 -2.93 0.00 0.00 61.98 58.35 2kmq s VAL 3 Cb -0.07 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 33.93 2kmq s VAL 3 CO 0.01 -0.21 0.56 0.00 -3.33 0.00 0.00 175.10 172.13 2kmq s ALA 5 N -0.87 3.50 0.56 0.00 0.00 -1.26 -5.01 121.76 118.68 2kmq s ALA 5 Ca 0.29 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.10 2kmq s ALA 5 Cb -0.19 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 2kmq s ALA 5 CO 0.18 0.39 1.04 0.00 0.00 0.00 0.00 175.76 177.36 2kmq s PRO 7 N -4.01 2.09 0.29 0.00 0.04 -1.26 -5.00 135.00 127.15 2kmq s PRO 7 Ca 0.63 0.71 0.24 0.00 0.04 0.00 0.00 61.00 62.62 2kmq s PRO 7 Cb -0.14 -1.91 0.52 0.00 0.04 0.00 0.00 34.50 33.00 2kmq s PRO 7 CO 0.34 -1.63 1.62 -0.22 0.04 0.00 0.00 177.00 177.14 2kmq h LYS 8 N -1.10 0.00 -6.73 4.56 3.11 -1.98 -3.48 116.57 110.96 2kmq h LYS 8 Ca -0.47 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 56.80 2kmq h LYS 8 Cb 1.26 0.00 0.12 0.00 -1.00 0.00 0.00 32.23 32.61 2kmq h LYS 8 CO 0.58 0.00 0.38 1.51 -2.81 0.00 0.00 179.45 179.11 2kmq n ILE 9 N -2.61 2.33 -0.75 2.00 3.06 -1.26 -5.04 119.36 117.08 2kmq n ILE 9 Ca 0.04 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.79 2kmq n ILE 9 Cb 0.48 -1.41 0.00 0.00 0.54 0.00 0.00 39.64 39.25 2kmq n ILE 9 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2kmq n LEU 10 N 0.53 0.00 -3.23 9.51 7.94 -1.26 -4.83 117.00 125.66 2kmq n LEU 10 Ca 0.07 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.89 2kmq n LEU 10 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.33 2kmq n LEU 10 CO 0.59 -0.37 0.16 1.17 -1.11 0.00 0.00 177.39 177.83 2kmq n LYS 11 N -0.74 -1.49 -0.72 1.96 4.81 -1.26 -5.02 118.16 115.70 2kmq n LYS 11 Ca 0.00 1.38 -0.30 0.00 -0.87 0.00 0.00 58.31 58.51 2kmq n LYS 11 Cb 0.00 -4.82 0.27 0.00 0.02 0.00 0.00 35.03 30.50 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 -3.41 -2.19 0.29 1.64 0.04 -1.26 -4.82 135.00 125.29 2kmq s PRO 12 Ca 0.03 0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.11 2kmq s PRO 12 Cb -0.01 -1.48 -0.04 0.00 0.04 0.00 0.00 34.50 33.01 2kmq s PRO 12 CO 0.79 -4.36 0.13 0.14 0.04 0.00 0.00 177.00 173.74 2kmq s VAL 13 N -2.63 0.45 -0.21 -0.36 -7.23 -0.13 -1.79 120.40 108.50 2kmq s VAL 13 Ca 0.70 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2kmq s VAL 13 Cb -0.11 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.27 2kmq s VAL 13 CO 0.57 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 175.28 2kmq s GLY 15 N 1.43 1.57 0.03 0.00 0.00 -0.35 -2.31 107.32 107.69 2kmq s GLY 15 Ca 0.06 -0.39 0.22 0.00 0.00 0.00 0.00 44.72 44.60 2kmq s GLY 15 CO -0.06 0.20 1.70 -1.14 0.00 0.00 0.00 173.10 173.80 2kmq n SER 16 N -4.07 0.10 0.07 1.64 3.41 0.11 -1.60 113.62 113.27 2kmq n SER 16 Ca 0.06 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 2kmq n SER 16 Cb 0.58 -0.54 0.44 0.00 -0.26 0.00 0.00 64.21 64.43 2kmq n SER 16 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kmq n ASP 17 N -1.60 0.58 0.00 4.04 2.03 -1.26 -4.95 116.55 115.38 2kmq n ASP 17 Ca 0.05 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2kmq n ASP 17 Cb 0.26 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 1.37 0.93 3.40 0.27 0.00 -0.63 -5.09 105.19 105.43 2kmq n GLY 18 Ca 0.06 -0.53 -0.26 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 -2.01 1.45 0.24 1.61 6.06 -1.26 -4.92 118.95 120.12 2kmq s ARG 19 Ca 0.00 -1.48 -0.29 0.00 -2.50 0.00 0.00 55.73 51.46 2kmq s ARG 19 Cb 0.00 -1.72 -0.09 0.00 0.06 0.00 0.00 34.95 33.20 2kmq s ARG 19 CO 0.00 0.37 0.92 0.99 -2.50 0.00 0.00 175.30 175.08 2kmq s THR 20 N -1.71 4.12 -0.00 4.11 2.01 -1.26 -1.21 115.64 121.70 2kmq s THR 20 Ca 0.19 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.23 2kmq s THR 20 Cb -0.08 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2kmq s THR 20 CO 0.09 0.48 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.12 2kmq s TYR 21 N -1.20 0.63 0.47 4.92 2.02 -0.17 -4.92 117.35 119.09 2kmq s TYR 21 Ca 0.41 -0.14 0.12 0.00 -0.37 0.00 0.00 57.07 57.09 2kmq s TYR 21 Cb -0.25 -0.40 1.08 0.00 -0.40 0.00 0.00 41.96 41.99 2kmq s TYR 21 CO 0.31 -0.01 2.10 0.00 -1.57 0.00 0.00 175.55 176.37 2kmq h ALA 22 N 5.88 1.86 -2.94 3.71 0.00 -1.95 -0.31 119.26 125.50 2kmq h ALA 22 Ca -0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2kmq h ALA 22 Cb 1.19 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2kmq h ALA 22 CO 0.49 0.13 0.07 1.21 0.00 0.00 0.00 179.25 181.15 2kmq s ASN 23 N -6.91 0.06 0.62 0.00 2.47 -1.26 -4.32 114.94 105.60 2kmq s ASN 23 Ca -0.06 -1.00 0.41 0.00 0.42 0.00 0.00 52.86 52.63 2kmq s ASN 23 Cb 0.17 0.71 2.11 0.00 -1.45 0.00 0.00 41.25 42.79 2kmq s ASN 23 CO 0.70 -1.38 2.25 0.77 -3.72 0.00 0.00 177.10 175.71 2kmq h SER 24 N 2.09 0.00 0.48 -4.21 4.64 -1.97 -3.25 113.55 111.32 2kmq h SER 24 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 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 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 2kmq n ILE 26 N -2.14 0.59 -0.21 0.00 -5.35 -1.23 -4.34 119.36 106.68 2kmq n ILE 26 Ca 0.01 -0.22 0.19 0.00 -0.27 0.00 0.00 62.75 62.46 2kmq n ILE 26 Cb 0.16 -0.94 0.53 0.00 -1.74 0.00 0.00 39.64 37.65 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 -0.04 2.24 0.00 -1.28 0.00 -1.71 -1.03 119.26 117.45 2kmq h ALA 27 Ca -0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kmq h ALA 27 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kmq h ALA 27 CO -0.05 -0.51 -0.14 0.54 0.00 0.00 0.00 179.25 179.09 2kmq n ARG 28 N -4.48 0.22 0.22 0.00 1.74 -1.22 -1.88 116.66 111.26 2kmq n ARG 28 Ca 0.18 0.15 0.14 0.00 -0.77 0.00 0.00 57.85 57.55 2kmq n ARG 28 Cb 0.68 -1.72 0.46 0.00 -1.02 0.00 0.00 32.46 30.86 2kmq n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kmq n ASN 30 N -2.91 0.98 0.00 0.00 0.23 -1.21 -4.97 115.26 107.38 2kmq n ASN 30 Ca 0.02 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 2kmq n ASN 30 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2kmq n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kmq n GLY 31 N -0.05 0.69 3.82 4.83 0.00 -1.10 -5.11 105.19 108.27 2kmq n GLY 31 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.03 0.30 1.61 1.01 -0.79 -4.98 120.40 119.59 2kmq s VAL 32 Ca 0.00 0.76 0.11 0.00 0.00 0.00 0.00 61.98 62.85 2kmq s VAL 32 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2kmq s VAL 32 CO 0.00 -0.76 -0.11 -0.94 0.00 0.00 0.00 175.10 173.28 2kmq s SER 33 N -3.48 3.85 0.22 3.32 1.04 -1.26 -3.43 113.70 113.96 2kmq s SER 33 Ca 0.59 -1.01 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 2kmq s SER 33 Cb -0.14 -0.43 -0.09 0.00 0.10 0.00 0.00 66.02 65.47 2kmq s SER 33 CO 0.48 -0.07 1.15 -0.51 0.98 0.00 0.00 173.24 175.27 2kmq s ILE 34 N -2.51 3.58 0.12 -1.02 -1.16 -1.26 0.03 121.20 118.98 2kmq s ILE 34 Ca 0.32 1.43 0.00 0.00 -0.51 0.00 0.00 60.65 61.88 2kmq s ILE 34 Cb -0.03 -3.91 0.00 0.00 0.61 0.00 0.00 42.46 39.13 2kmq s ILE 34 CO 0.17 0.27 0.00 1.17 -2.81 0.00 0.00 174.94 173.74 2kmq n LYS 35 N 1.96 0.00 -4.27 3.50 0.00 -1.00 -4.76 118.16 113.59 2kmq n LYS 35 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.18 2kmq n LYS 35 Cb 0.45 -0.43 -0.10 0.00 0.00 0.00 0.00 35.03 34.95 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 -5.85 1.24 0.54 3.14 0.15 -0.98 -5.05 113.70 106.89 2kmq s SER 36 Ca 0.00 -1.25 0.02 0.00 0.70 0.00 0.00 55.95 55.42 2kmq s SER 36 Cb 0.00 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 2kmq s SER 36 CO 0.00 -0.62 0.76 -1.83 1.20 0.00 0.00 173.24 172.75 2kmq s GLU 37 N -3.95 2.54 0.25 5.44 -1.05 -1.26 -0.69 118.70 119.98 2kmq s GLU 37 Ca 0.29 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 2kmq s GLU 37 Cb 0.07 -2.51 0.00 0.00 -0.44 0.00 0.00 34.13 31.25 2kmq s GLU 37 CO 0.08 -0.70 0.00 0.41 0.95 0.00 0.00 175.26 176.00 2kmq n GLY 38 N -2.31 -2.70 3.71 -3.83 0.00 -0.74 -4.48 105.19 94.84 2kmq n GLY 38 Ca 0.08 -1.29 -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 -5.66 6.40 0.17 1.61 0.15 -1.23 -2.67 113.70 112.47 2kmq s SER 39 Ca 0.00 2.82 -0.30 0.00 0.70 0.00 0.00 55.95 59.17 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 -0.99 1.08 0.00 1.20 0.00 0.00 173.24 174.53 2kmq s PRO 41 N -0.38 2.43 0.00 0.00 0.04 -1.26 -4.72 135.00 131.11 2kmq s PRO 41 Ca 0.49 1.17 0.30 0.00 0.04 0.00 0.00 61.00 62.99 2kmq s PRO 41 Cb -0.29 -1.92 1.37 0.00 0.04 0.00 0.00 34.50 33.71 2kmq s PRO 41 CO 0.34 -1.51 1.98 -2.37 0.04 0.00 0.00 177.00 175.49 2kmq n THR 42 N -3.30 0.00 0.00 1.26 5.66 -1.26 -4.90 114.28 111.74 2kmq n THR 42 Ca 0.09 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2kmq n THR 42 Cb 0.53 -0.48 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 2kmq n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kmq n GLY 43 N 1.39 0.87 0.00 1.09 0.00 -1.26 -5.24 105.19 102.05 2kmq n GLY 43 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kmq n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83