#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 0.00 -0.21 1.61 7.64 -1.26 -5.12 113.62 116.27 2knx n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2knx n SER 2 Cb 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2knx n SER 2 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2knx n GLU 3 N -2.03 3.31 -1.62 1.43 0.28 -1.26 -4.96 120.64 115.78 2knx n GLU 3 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 2knx n GLU 3 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2knx n GLY 4 N 5.00 0.32 0.13 -1.84 0.00 -1.26 -4.63 105.19 102.91 2knx n GLY 4 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.80 2knx n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2knx n LYS 5 N 8.10 1.18 0.00 1.61 4.76 -1.26 -4.04 118.16 128.51 2knx n LYS 5 Ca 0.43 -0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2knx n LYS 5 Cb 0.46 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2knx n THR 6 N -0.64 0.00 -0.01 -0.18 -2.24 -1.26 -4.48 114.28 105.47 2knx n THR 6 Ca 0.20 1.25 -0.02 0.00 -2.27 0.00 0.00 64.05 63.21 2knx n THR 6 Cb 0.16 -2.22 -0.01 0.00 -2.10 0.00 0.00 70.33 66.16 2knx n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2knx n GLY 8 N 2.14 -2.17 0.25 0.00 0.00 -1.26 -3.69 105.19 100.46 2knx n GLY 8 Ca -0.03 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 2knx n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2knx h PRO 9 N 0.00 0.57 -3.62 1.61 0.13 -2.00 -3.32 132.00 125.36 2knx h PRO 9 Ca 0.00 -0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 64.40 2knx h PRO 9 Cb 0.16 -0.13 -0.35 0.00 0.13 0.00 0.00 31.00 30.82 2knx h PRO 9 CO 0.00 0.38 -0.34 -1.12 -0.23 0.00 0.00 178.00 176.68 2knx s SER 10 N -5.52 5.32 0.22 1.44 0.01 -1.26 -5.06 113.70 108.85 2knx s SER 10 Ca -0.13 -2.83 0.05 0.00 1.31 0.00 0.00 55.95 54.35 2knx s SER 10 Cb 0.16 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.47 2knx s SER 10 CO 0.75 -0.38 -0.05 -0.94 0.41 0.00 0.00 173.24 173.03 2knx s SER 11 N 0.79 2.07 0.16 2.44 1.04 -1.24 -1.90 113.70 117.07 2knx s SER 11 Ca 0.17 -1.15 0.10 0.00 0.48 0.00 0.00 55.95 55.55 2knx s SER 11 Cb -0.20 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2knx s SER 11 CO -0.04 -0.41 -0.20 0.12 0.98 0.00 0.00 173.24 173.69 2knx s PHE 12 N -3.28 2.42 -0.33 5.02 5.36 -0.38 -4.90 117.98 121.89 2knx s PHE 12 Ca 0.26 -0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 55.84 2knx s PHE 12 Cb 0.04 -1.24 0.03 0.00 -0.34 0.00 0.00 43.02 41.51 2knx s PHE 12 CO 0.07 0.45 0.10 0.45 -1.46 0.00 0.00 175.22 174.83 2knx s SER 13 N -2.46 5.28 0.63 6.13 0.15 -1.26 -2.11 113.70 120.05 2knx s SER 13 Ca 0.20 -0.96 -0.19 0.00 0.70 0.00 0.00 55.95 55.70 2knx s SER 13 Cb -0.09 -1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 62.31 2knx s SER 13 CO 0.10 -0.28 1.29 0.00 1.20 0.00 0.00 173.24 175.55 2knx s PRO 15 N -3.25 4.59 -1.23 0.00 0.04 -1.26 -3.73 135.00 130.16 2knx s PRO 15 Ca 0.81 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 2knx s PRO 15 Cb -0.39 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 30.79 2knx s PRO 15 CO 0.42 0.03 0.96 0.41 0.04 0.00 0.00 177.00 178.87 2knx n GLY 16 N 2.55 -0.37 3.62 0.56 0.00 -1.26 -4.98 105.19 105.31 2knx n GLY 16 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2knx n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2knx s THR 17 N -3.25 0.00 -0.83 2.61 -1.32 -1.24 -5.04 115.64 106.55 2knx s THR 17 Ca 0.48 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.94 2knx s THR 17 Cb -0.21 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.13 2knx s THR 17 CO 0.59 0.00 2.00 1.41 -2.21 0.00 0.00 174.62 176.41 2knx n HIS 18 N 0.17 3.00 -4.07 9.09 8.25 -1.26 -4.40 115.22 125.99 2knx n HIS 18 Ca 0.00 -2.36 -0.33 0.00 -0.26 0.00 0.00 57.72 54.78 2knx n HIS 18 Cb 0.58 -1.16 -0.15 0.00 1.12 0.00 0.00 29.99 30.38 2knx n HIS 18 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2knx s VAL 19 N -5.09 2.22 0.38 1.59 0.11 -1.26 -5.03 120.40 113.31 2knx s VAL 19 Ca 0.52 -1.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 2knx s VAL 19 Cb 0.44 -2.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.08 2knx s VAL 19 CO -0.41 0.14 0.55 0.00 -3.33 0.00 0.00 175.10 172.05 2knx s VAL 21 N -2.32 -0.02 0.59 0.00 0.11 -0.90 -4.80 120.40 113.06 2knx s VAL 21 Ca 0.45 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 59.39 2knx s VAL 21 Cb -0.10 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 2knx s VAL 21 CO 0.34 0.03 1.27 -2.65 -3.33 0.00 0.00 175.10 170.76 2knx n PRO 22 N 4.19 1.35 -0.29 1.54 -0.02 -1.24 -1.25 135.00 139.28 2knx n PRO 22 Ca -0.23 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 2knx n PRO 22 Cb 0.56 -2.49 0.21 0.00 -0.02 0.00 0.00 33.50 31.76 2knx n PRO 22 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2knx h GLU 23 N 0.94 0.56 0.00 -0.52 4.57 -1.70 0.63 114.58 119.07 2knx h GLU 23 Ca -0.50 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 2knx h GLU 23 Cb 1.33 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2knx h GLU 23 CO 0.55 0.37 -0.04 0.07 -1.18 0.00 0.00 179.01 178.78 2knx h ARG 24 N 0.58 0.00 0.01 1.92 -0.00 -1.90 -1.47 114.38 113.52 2knx h ARG 24 Ca 0.45 0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 60.15 2knx h ARG 24 Cb 0.64 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.57 2knx h ARG 24 CO -0.37 0.04 -1.58 -1.49 -0.00 0.00 0.00 179.97 176.56 2knx h TRP 25 N 0.00 0.06 -1.39 4.08 4.06 -0.22 -3.43 115.95 119.10 2knx h TRP 25 Ca -0.00 -0.04 -0.77 0.00 2.06 0.00 0.00 58.89 60.14 2knx h TRP 25 Cb 0.15 -0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.33 2knx h TRP 25 CO 0.00 1.07 0.77 1.28 -3.56 0.00 0.00 178.44 178.00 2knx n LEU 26 N -3.15 1.91 -4.08 -4.49 7.99 0.39 -1.65 117.00 113.93 2knx n LEU 26 Ca -0.15 1.11 -0.46 0.00 -0.01 0.00 0.00 56.01 56.51 2knx n LEU 26 Cb 1.03 -1.07 0.02 0.00 -0.11 0.00 0.00 43.42 43.29 2knx n LEU 26 CO 0.46 -0.66 -0.17 0.00 -1.51 0.00 0.00 177.39 175.51 2knx n ASP 28 N -2.03 1.04 0.00 0.00 5.75 -0.66 -4.98 116.55 115.68 2knx n ASP 28 Ca -0.11 -0.45 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 2knx n ASP 28 Cb 0.55 1.34 0.00 0.00 -1.03 0.00 0.00 41.12 41.97 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 1.48 1.58 2.63 6.12 0.00 -1.26 -5.10 105.19 110.63 2knx n GLY 29 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.24 -0.88 1.61 1.11 -1.26 -5.07 116.67 113.43 2knx s ASP 30 Ca 0.00 -1.11 -0.25 0.00 0.18 0.00 0.00 52.55 51.37 2knx s ASP 30 Cb 0.00 -0.47 -0.18 0.00 1.07 0.00 0.00 42.92 43.35 2knx s ASP 30 CO 0.00 -0.39 2.28 0.29 1.18 0.00 0.00 175.17 178.53 2knx n LYS 31 N 5.15 0.37 0.06 8.23 5.02 -1.26 -4.65 118.16 131.08 2knx n LYS 31 Ca -0.06 -1.08 -0.05 0.00 -2.02 0.00 0.00 58.31 55.10 2knx n LYS 31 Cb 0.45 -3.61 -0.09 0.00 -0.02 0.00 0.00 35.03 31.75 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 12.21 0.00 -4.36 4.39 3.32 -1.94 -3.46 116.42 126.58 2knx h ASP 32 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2knx h ASP 32 Cb 1.01 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.64 2knx h ASP 32 CO 1.03 0.87 0.38 0.00 -1.72 0.00 0.00 179.24 179.80 2knx h ALA 34 N -0.71 1.40 0.00 0.00 0.00 -1.93 -2.89 119.26 115.12 2knx h ALA 34 Ca -0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2knx h ALA 34 Cb 1.23 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2knx h ALA 34 CO 0.60 0.53 -0.56 -0.25 0.00 0.00 0.00 179.25 179.57 2knx n ASP 35 N -4.42 1.62 -2.23 0.00 9.92 -1.26 -4.96 116.55 115.22 2knx n ASP 35 Ca 0.11 -3.59 -0.18 0.00 -0.53 0.00 0.00 54.79 50.60 2knx n ASP 35 Cb 0.07 -0.49 -0.02 0.00 -0.64 0.00 0.00 41.12 40.03 2knx n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2knx n GLY 36 N -0.89 -0.03 0.29 0.44 0.00 -1.09 -4.85 105.19 99.05 2knx n GLY 36 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 0.85 1.17 -0.03 4.61 0.00 -1.93 0.43 119.26 124.35 2knx h ALA 37 Ca -0.42 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2knx h ALA 37 Cb 1.29 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2knx h ALA 37 CO 0.52 -0.23 0.04 0.38 0.00 0.00 0.00 179.25 179.96 2knx h ASP 38 N 0.44 0.00 -0.32 0.00 3.04 -1.95 0.14 116.42 117.78 2knx h ASP 38 Ca 0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.24 2knx h ASP 38 Cb 0.73 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.02 2knx h ASP 38 CO -0.44 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.14 2knx n GLU 39 N -3.75 1.91 -4.42 4.15 -0.58 0.15 0.01 120.64 118.11 2knx n GLU 39 Ca -0.02 -1.21 -0.21 0.00 -0.42 0.00 0.00 57.16 55.30 2knx n GLU 39 Cb 0.13 -1.35 -0.11 0.00 -0.57 0.00 0.00 31.44 29.55 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 -0.90 2.26 0.58 1.62 0.01 0.49 -4.85 113.70 112.93 2knx s SER 40 Ca 0.22 -1.34 0.28 0.00 1.31 0.00 0.00 55.95 56.43 2knx s SER 40 Cb 0.12 -0.06 1.73 0.00 0.21 0.00 0.00 66.02 68.02 2knx s SER 40 CO 0.14 -0.58 2.20 0.40 0.41 0.00 0.00 173.24 175.81 2knx h ILE 41 N 2.20 0.55 -0.60 1.44 1.08 -1.80 -1.83 117.51 118.55 2knx h ILE 41 Ca -0.40 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.24 2knx h ILE 41 Cb 1.24 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 2knx h ILE 41 CO 0.68 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 178.70 2knx h ALA 42 N 1.93 2.41 -0.52 1.87 0.00 -1.94 0.86 119.26 123.87 2knx h ALA 42 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2knx h ALA 42 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2knx h ALA 42 CO -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 179.25 178.38 2knx n ALA 43 N -2.45 2.86 -1.17 0.00 0.00 -0.69 -4.90 120.51 114.17 2knx n ALA 43 Ca 0.12 -1.18 -0.06 0.00 0.00 0.00 0.00 53.44 52.32 2knx n ALA 43 Cb 0.78 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2knx n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2knx n GLY 44 N 1.05 0.82 3.56 0.00 0.00 0.30 -4.94 105.19 105.98 2knx n GLY 44 Ca 0.20 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 11.52 6.15 -2.00 0.00 4.77 -1.26 -4.50 117.00 131.67 2knx n LEU 46 Ca 0.38 -5.39 -0.01 0.00 -0.03 0.00 0.00 56.01 50.96 2knx n LEU 46 Cb 0.48 -1.05 0.01 0.00 -2.33 0.00 0.00 43.42 40.54 2knx n LEU 46 CO 0.64 1.98 0.41 0.00 -1.33 0.00 0.00 177.39 179.10 2knx n TYR 47 N 0.49 -0.34 -4.31 -1.77 4.11 -1.26 -5.17 117.16 108.92 2knx n TYR 47 Ca 0.35 -0.41 -0.14 0.00 -0.00 0.00 0.00 57.90 57.70 2knx n TYR 47 Cb 0.32 0.86 -0.03 0.00 -0.00 0.00 0.00 39.34 40.49 2knx n TYR 47 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 2knx n ASN 48 N -0.33 1.83 -4.43 9.48 0.23 -1.26 -5.15 115.26 115.62 2knx n ASN 48 Ca -0.11 -2.10 -0.29 0.00 -0.53 0.00 0.00 54.58 51.55 2knx n ASN 48 Cb 0.59 0.36 0.17 0.00 -2.08 0.00 0.00 39.78 38.83 2knx n ASN 48 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2knx s SER 49 N -2.32 2.68 0.00 0.53 0.15 -1.26 -5.24 113.70 108.23 2knx s SER 49 Ca 0.06 0.80 0.14 0.00 0.70 0.00 0.00 55.95 57.64 2knx s SER 49 Cb 0.00 -1.22 0.82 0.00 -1.71 0.00 0.00 66.02 63.91 2knx s SER 49 CO 0.04 -3.05 1.24 1.07 1.20 0.00 0.00 173.24 173.74