#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knx n SER 2 N 0.00 1.88 0.00 1.61 3.41 -1.26 -5.04 113.62 114.22 2knx n SER 2 Ca 0.00 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 2knx n SER 2 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2knx n SER 2 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2knx n GLU 3 N -1.20 0.00 -3.66 4.33 0.00 -1.26 -3.58 120.64 115.26 2knx n GLU 3 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.95 2knx n GLU 3 Cb 0.68 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 32.01 2knx n GLU 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2knx s GLY 4 N 0.00 1.95 -0.48 -1.84 0.00 -1.26 -4.94 107.32 100.75 2knx s GLY 4 Ca 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 44.72 42.57 2knx s GLY 4 CO 0.00 0.95 1.91 0.58 0.00 0.00 0.00 173.10 176.54 2knx n LYS 5 N 4.83 2.28 0.24 2.90 2.85 -1.24 -4.61 118.16 125.42 2knx n LYS 5 Ca -0.09 -2.84 -0.10 0.00 -1.05 0.00 0.00 58.31 54.23 2knx n LYS 5 Cb 0.43 -2.11 -0.05 0.00 -0.65 0.00 0.00 35.03 32.65 2knx n LYS 5 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2knx h THR 6 N 0.94 0.00 0.00 0.58 2.02 -1.92 -3.43 112.91 111.10 2knx h THR 6 Ca 0.57 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.50 2knx h THR 6 Cb 2.05 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2knx h THR 6 CO 1.17 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 176.87 2knx n GLY 8 N 1.56 -1.35 3.67 0.00 0.00 -1.26 -4.24 105.19 103.56 2knx n GLY 8 Ca -0.03 -1.01 -0.49 0.00 0.00 0.00 0.00 46.02 44.49 2knx n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2knx n PRO 9 N -3.04 2.00 -2.67 1.61 -0.04 -1.26 -3.63 135.00 127.97 2knx n PRO 9 Ca 0.00 0.73 -0.04 0.00 -0.04 0.00 0.00 63.50 64.15 2knx n PRO 9 Cb 0.33 -2.52 0.01 0.00 -0.04 0.00 0.00 33.50 31.28 2knx n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2knx n SER 10 N 5.06 -7.40 -4.29 3.54 2.88 -1.26 -4.87 113.62 107.28 2knx n SER 10 Ca 0.21 0.80 -0.16 0.00 -1.33 0.00 0.00 58.87 58.38 2knx n SER 10 Cb 0.27 -4.95 -0.10 0.00 -0.75 0.00 0.00 64.21 58.68 2knx n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2knx s SER 11 N -2.07 2.14 0.13 -3.46 1.04 -1.24 -3.52 113.70 106.72 2knx s SER 11 Ca 0.14 -0.98 0.06 0.00 0.48 0.00 0.00 55.95 55.65 2knx s SER 11 Cb -0.04 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 2knx s SER 11 CO 0.70 -0.24 -0.01 0.12 0.98 0.00 0.00 173.24 174.79 2knx s PHE 12 N -3.00 2.89 -0.12 5.02 5.36 -0.19 -4.93 117.98 123.03 2knx s PHE 12 Ca 0.18 -0.09 -0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2knx s PHE 12 Cb 0.00 -1.45 -0.02 0.00 -0.34 0.00 0.00 43.02 41.21 2knx s PHE 12 CO 0.03 0.49 -0.09 0.45 -1.46 0.00 0.00 175.22 174.64 2knx s SER 13 N -2.61 4.36 0.18 6.13 0.15 -1.26 -0.96 113.70 119.69 2knx s SER 13 Ca 0.26 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.41 2knx s SER 13 Cb -0.10 -1.48 -0.08 0.00 -1.71 0.00 0.00 66.02 62.65 2knx s SER 13 CO 0.18 0.23 0.96 0.00 1.20 0.00 0.00 173.24 175.81 2knx s PRO 15 N -0.63 4.14 -0.72 0.00 0.04 -1.26 -2.36 135.00 134.20 2knx s PRO 15 Ca 0.44 2.61 -0.03 0.00 0.04 0.00 0.00 61.00 64.05 2knx s PRO 15 Cb -0.25 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2knx s PRO 15 CO 0.31 -0.87 0.46 0.41 0.04 0.00 0.00 177.00 177.35 2knx n GLY 16 N 4.31 0.15 0.00 0.56 0.00 -1.26 -5.01 105.19 103.94 2knx n GLY 16 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2knx n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2knx n THR 17 N -3.81 0.00 1.42 2.61 5.66 -1.00 -5.01 114.28 114.15 2knx n THR 17 Ca -0.02 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.12 2knx n THR 17 Cb 0.54 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.88 2knx n THR 17 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2knx n HIS 18 N -0.07 0.00 -1.54 1.09 -0.00 -1.26 -3.78 115.22 109.65 2knx n HIS 18 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 2knx n HIS 18 Cb 0.00 -0.13 -0.10 0.00 -0.12 0.00 0.00 29.99 29.65 2knx n HIS 18 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2knx n VAL 19 N -0.71 0.00 -2.13 3.57 3.14 -1.26 -4.77 118.33 116.18 2knx n VAL 19 Ca 0.15 -0.46 -0.29 0.00 -2.96 0.00 0.00 64.34 60.78 2knx n VAL 19 Cb 0.30 -1.68 0.03 0.00 -1.06 0.00 0.00 33.84 31.42 2knx n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2knx s VAL 21 N -3.12 -0.07 0.67 0.00 0.11 -0.14 -4.72 120.40 113.12 2knx s VAL 21 Ca 0.55 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.54 2knx s VAL 21 Cb -0.11 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2knx s VAL 21 CO 0.50 0.05 1.23 -2.84 -3.33 0.00 0.00 175.10 170.70 2knx s PRO 22 N 1.46 2.52 0.29 1.54 0.02 -1.24 -1.02 135.00 138.57 2knx s PRO 22 Ca -0.09 1.84 0.03 0.00 0.02 0.00 0.00 61.00 62.81 2knx s PRO 22 Cb -0.09 -1.87 0.65 0.00 0.02 0.00 0.00 34.50 33.21 2knx s PRO 22 CO -0.12 -1.57 1.79 1.49 -0.33 0.00 0.00 177.00 178.27 2knx h GLU 23 N 0.28 0.80 -0.02 5.54 4.81 -1.89 0.51 114.58 124.61 2knx h GLU 23 Ca -0.49 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2knx h GLU 23 Cb 1.30 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 2knx h GLU 23 CO 0.52 0.53 0.02 -0.09 -0.73 0.00 0.00 179.01 179.26 2knx h ARG 24 N 0.82 0.00 0.00 1.92 9.65 -1.90 -1.02 114.38 123.85 2knx h ARG 24 Ca 0.54 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 59.26 2knx h ARG 24 Cb 0.73 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 2knx h ARG 24 CO -0.34 0.00 -1.42 0.91 2.80 0.00 0.00 179.97 181.92 2knx n TRP 25 N -4.16 0.94 -1.68 2.20 7.02 0.15 -4.73 117.44 117.18 2knx n TRP 25 Ca -0.03 0.31 -0.53 0.00 -1.02 0.00 0.00 57.50 56.23 2knx n TRP 25 Cb 0.11 -1.06 -0.06 0.00 -2.42 0.00 0.00 31.31 27.87 2knx n TRP 25 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2knx n LEU 26 N -2.85 2.64 -4.03 -0.99 7.99 0.35 -2.21 117.00 117.89 2knx n LEU 26 Ca -0.09 1.05 -0.42 0.00 -0.01 0.00 0.00 56.01 56.54 2knx n LEU 26 Cb 0.82 -1.24 0.02 0.00 -0.11 0.00 0.00 43.42 42.91 2knx n LEU 26 CO 0.43 -0.40 -0.18 0.00 -1.51 0.00 0.00 177.39 175.73 2knx n ASP 28 N -2.07 1.22 0.00 0.00 5.75 -0.94 -4.98 116.55 115.53 2knx n ASP 28 Ca -0.14 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 2knx n ASP 28 Cb 0.56 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 2knx n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2knx n GLY 29 N 1.10 1.13 3.31 6.12 0.00 -1.26 -5.06 105.19 110.52 2knx n GLY 29 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2knx n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2knx s ASP 30 N -1.36 5.87 -0.93 1.61 1.01 -1.26 -5.00 116.67 116.61 2knx s ASP 30 Ca 0.00 -1.52 -0.26 0.00 0.71 0.00 0.00 52.55 51.48 2knx s ASP 30 Cb 0.00 -2.08 -0.19 0.00 1.01 0.00 0.00 42.92 41.67 2knx s ASP 30 CO 0.00 -0.63 2.28 0.29 0.21 0.00 0.00 175.17 177.33 2knx n LYS 31 N 5.05 0.34 0.10 8.23 5.02 -1.26 -4.68 118.16 130.96 2knx n LYS 31 Ca -0.11 -1.25 -0.05 0.00 -2.02 0.00 0.00 58.31 54.89 2knx n LYS 31 Cb 0.43 -3.82 0.05 0.00 -0.02 0.00 0.00 35.03 31.66 2knx n LYS 31 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2knx h ASP 32 N 12.24 0.08 -3.75 4.39 3.32 -1.94 -3.46 116.42 127.29 2knx h ASP 32 Ca 0.00 -0.06 -0.44 0.00 0.02 0.00 0.00 57.03 56.55 2knx h ASP 32 Cb 1.00 -0.02 0.17 0.00 0.22 0.00 0.00 39.33 40.70 2knx h ASP 32 CO 1.00 0.83 0.16 0.00 -1.72 0.00 0.00 179.24 179.51 2knx h ALA 34 N -2.09 0.46 0.00 0.00 0.00 -1.91 -3.28 119.26 112.44 2knx h ALA 34 Ca -0.55 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 53.86 2knx h ALA 34 Cb 1.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2knx h ALA 34 CO 0.55 0.66 -0.44 -0.25 0.00 0.00 0.00 179.25 179.76 2knx n ASP 35 N -4.04 1.78 -1.94 0.00 8.00 -1.26 -4.95 116.55 114.14 2knx n ASP 35 Ca -0.04 -3.71 -0.18 0.00 0.71 0.00 0.00 54.79 51.56 2knx n ASP 35 Cb 0.61 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 2knx n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2knx n GLY 36 N -1.11 0.01 0.28 0.44 0.00 -1.24 -4.88 105.19 98.68 2knx n GLY 36 Ca 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2knx n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2knx h ALA 37 N 0.71 1.04 0.00 4.61 0.00 -1.92 0.39 119.26 124.09 2knx h ALA 37 Ca -0.42 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2knx h ALA 37 Cb 1.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2knx h ALA 37 CO 0.51 0.04 -0.05 0.38 0.00 0.00 0.00 179.25 180.13 2knx h ASP 38 N 0.70 0.00 -0.47 0.00 3.04 -1.95 -0.26 116.42 117.48 2knx h ASP 38 Ca 0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.15 2knx h ASP 38 Cb 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 2knx h ASP 38 CO -0.24 0.05 0.00 -0.62 -2.04 0.00 0.00 179.24 176.40 2knx n GLU 39 N -4.15 3.19 -4.41 4.15 -0.58 0.09 -0.00 120.64 118.93 2knx n GLU 39 Ca -0.03 -2.15 -0.21 0.00 -0.42 0.00 0.00 57.16 54.35 2knx n GLU 39 Cb 0.14 -1.80 -0.10 0.00 -0.57 0.00 0.00 31.44 29.12 2knx n GLU 39 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2knx s SER 40 N -0.75 2.00 0.63 1.62 0.01 -0.12 -4.87 113.70 112.23 2knx s SER 40 Ca 0.38 -1.48 0.39 0.00 1.31 0.00 0.00 55.95 56.56 2knx s SER 40 Cb 0.26 0.19 2.17 0.00 0.21 0.00 0.00 66.02 68.85 2knx s SER 40 CO 0.17 -0.76 2.31 0.40 0.41 0.00 0.00 173.24 175.77 2knx h ILE 41 N 2.13 0.19 -0.82 1.44 5.03 -1.91 -2.11 117.51 121.46 2knx h ILE 41 Ca -0.38 -0.04 0.21 0.00 -0.12 0.00 0.00 64.86 64.53 2knx h ILE 41 Cb 1.25 1.03 -0.05 0.00 -3.03 0.00 0.00 36.82 36.03 2knx h ILE 41 CO 0.61 0.01 0.57 0.00 -0.68 0.00 0.00 178.15 178.66 2knx h ALA 42 N 1.99 2.50 0.00 1.87 0.00 -1.95 0.28 119.26 123.95 2knx h ALA 42 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2knx h ALA 42 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2knx h ALA 42 CO 0.00 -0.74 -1.03 0.00 0.00 0.00 0.00 179.25 177.48 2knx h ALA 43 N 1.61 0.60 0.00 0.00 0.00 -1.30 -3.48 119.26 116.69 2knx h ALA 43 Ca 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2knx h ALA 43 Cb 1.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2knx h ALA 43 CO -0.08 0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2knx n GLY 44 N 1.25 1.87 0.00 0.00 0.00 0.98 -5.06 105.19 104.23 2knx n GLY 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2knx n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2knx n LEU 46 N -1.72 0.00 -4.38 0.00 4.77 -1.26 -4.70 117.00 109.71 2knx n LEU 46 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2knx n LEU 46 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2knx n LEU 46 CO 0.00 0.00 1.33 0.00 -1.33 0.00 0.00 177.39 177.39 2knx n TYR 47 N 0.00 1.45 -2.19 -1.77 4.11 -1.26 -4.08 117.16 113.42 2knx n TYR 47 Ca 0.00 -0.74 -0.05 0.00 -0.00 0.00 0.00 57.90 57.10 2knx n TYR 47 Cb 0.00 -2.33 -0.02 0.00 -0.00 0.00 0.00 39.34 37.00 2knx n TYR 47 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2knx n ASN 48 N 16.01 -1.06 -0.07 9.48 5.15 -1.26 -4.94 115.26 138.57 2knx n ASN 48 Ca 0.44 -2.06 -0.12 0.00 -0.60 0.00 0.00 54.58 52.24 2knx n ASN 48 Cb 0.46 0.38 -0.15 0.00 -0.53 0.00 0.00 39.78 39.94 2knx n ASN 48 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2knx n SER 49 N -0.40 0.81 0.00 1.20 7.64 -1.26 -5.24 113.62 116.38 2knx n SER 49 Ca -0.24 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2knx n SER 49 Cb 0.76 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 2knx n SER 49 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10