#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knx s SER 2 N 0.00 3.50 -1.60 1.61 0.01 -1.26 -5.03 113.70 110.93 2knx s SER 2 Ca 0.00 -1.06 -0.11 0.00 1.31 0.00 0.00 55.95 56.10 2knx s SER 2 Cb 0.00 -0.95 -0.07 0.00 0.21 0.00 0.00 66.02 65.21 2knx s SER 2 CO 0.00 -0.27 2.85 1.21 0.41 0.00 0.00 173.24 177.44 2knx n GLU 3 N 4.82 3.60 -1.24 12.44 2.13 -1.26 -4.13 120.64 136.99 2knx n GLU 3 Ca -0.11 -2.28 0.03 0.00 0.66 0.00 0.00 57.16 55.46 2knx n GLU 3 Cb 0.45 -2.87 0.01 0.00 0.27 0.00 0.00 31.44 29.30 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2knx n GLY 4 N 3.62 0.87 0.00 8.31 0.00 -1.26 -5.00 105.19 111.73 2knx n GLY 4 Ca 0.75 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2knx n GLY 4 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2knx n LYS 5 N 0.36 0.00 0.00 1.61 0.00 -1.26 -4.95 118.16 113.92 2knx n LYS 5 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2knx n LYS 5 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 36.06 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2knx n THR 6 N -0.63 0.00 -1.30 0.58 -2.24 -1.26 0.12 114.28 109.55 2knx n THR 6 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 2knx n THR 6 Cb 0.00 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.08 -3.68 3.59 0.00 0.00 0.32 -4.53 105.19 99.80 2knx n GLY 8 Ca 0.12 -1.23 -0.46 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.74 1.31 -2.11 1.61 -0.04 -1.26 -1.69 135.00 131.07 2knx n PRO 9 Ca 0.00 0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 63.83 2knx n PRO 9 Cb 0.00 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 31.55 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 1.64 -3.19 -4.88 3.54 2.88 -1.26 -4.91 113.62 107.44 2knx n SER 10 Ca 0.12 0.01 -0.27 0.00 -1.33 0.00 0.00 58.87 57.40 2knx n SER 10 Cb 0.29 -2.41 -0.04 0.00 -0.75 0.00 0.00 64.21 61.30 2knx n SER 10 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2knx s SER 11 N -2.61 6.02 0.14 -3.46 0.01 -0.68 -2.53 113.70 110.59 2knx s SER 11 Ca 0.00 0.07 0.09 0.00 1.31 0.00 0.00 55.95 57.42 2knx s SER 11 Cb 0.00 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 2knx s SER 11 CO 0.00 0.07 -0.15 0.12 0.41 0.00 0.00 173.24 173.69 2knx s PHE 12 N -1.70 2.56 -0.18 2.43 5.36 -0.52 -4.95 117.98 120.97 2knx s PHE 12 Ca 0.33 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2knx s PHE 12 Cb -0.11 -1.31 0.01 0.00 -0.34 0.00 0.00 43.02 41.27 2knx s PHE 12 CO 0.26 0.44 -0.17 0.45 -1.46 0.00 0.00 175.22 174.75 2knx s SER 13 N -2.42 3.41 0.47 6.13 0.15 -1.26 -0.11 113.70 120.07 2knx s SER 13 Ca 0.21 -0.58 -0.24 0.00 0.70 0.00 0.00 55.95 56.04 2knx s SER 13 Cb -0.10 -1.54 -0.07 0.00 -1.71 0.00 0.00 66.02 62.60 2knx s SER 13 CO 0.12 0.01 1.40 0.00 1.20 0.00 0.00 173.24 175.97 2knx s PRO 15 N -2.57 4.58 0.00 0.00 0.04 -1.26 -3.59 135.00 132.20 2knx s PRO 15 Ca 0.64 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2knx s PRO 15 Cb -0.42 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.87 2knx s PRO 15 CO 0.54 0.06 0.00 0.41 0.04 0.00 0.00 177.00 178.05 2knx n GLY 16 N 1.86 2.34 3.77 0.56 0.00 -1.26 -4.94 105.19 107.52 2knx n GLY 16 Ca 0.02 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.50 2.35 -0.40 2.61 -1.32 -1.24 -5.03 115.64 112.11 2knx s THR 17 Ca 0.00 -1.63 0.05 0.00 -1.21 0.00 0.00 61.69 58.90 2knx s THR 17 Cb 0.00 -2.98 0.65 0.00 -1.51 0.00 0.00 72.50 68.67 2knx s THR 17 CO 0.00 0.00 1.83 0.00 -2.21 0.00 0.00 174.62 174.24 2knx n HIS 18 N -1.31 2.74 -3.21 9.09 1.44 -1.26 -4.45 115.22 118.26 2knx n HIS 18 Ca -0.00 -1.59 -0.39 0.00 -2.01 0.00 0.00 57.72 53.73 2knx n HIS 18 Cb 0.64 -0.84 -0.05 0.00 0.12 0.00 0.00 29.99 29.86 2knx n HIS 18 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2knx s VAL 19 N -3.03 5.07 0.33 0.61 0.11 -1.26 -4.94 120.40 117.29 2knx s VAL 19 Ca 0.53 1.17 0.08 0.00 -2.93 0.00 0.00 61.98 60.83 2knx s VAL 19 Cb 0.44 -3.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 2knx s VAL 19 CO 0.11 0.34 0.22 0.00 -3.33 0.00 0.00 175.10 172.44 2knx s VAL 21 N -2.35 -0.35 0.65 0.00 0.11 0.84 -4.91 120.40 114.39 2knx s VAL 21 Ca 0.39 0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.37 2knx s VAL 21 Cb -0.05 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2knx s VAL 21 CO 0.25 0.05 1.25 -2.65 -3.33 0.00 0.00 175.10 170.67 2knx n PRO 22 N 4.83 1.06 -0.35 1.54 -0.02 -1.24 -1.44 135.00 139.37 2knx n PRO 22 Ca -0.16 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2knx n PRO 22 Cb 0.53 -2.49 0.32 0.00 -0.02 0.00 0.00 33.50 31.84 2knx n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2knx h GLU 23 N 0.47 0.75 0.00 -0.52 4.39 -1.84 0.61 114.58 118.44 2knx h GLU 23 Ca -0.51 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 2knx h GLU 23 Cb 1.34 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2knx h GLU 23 CO 0.52 0.50 -0.09 0.07 -1.16 0.00 0.00 179.01 178.85 2knx h ARG 24 N 0.77 0.00 0.00 2.33 0.11 -1.90 -1.46 114.38 114.23 2knx h ARG 24 Ca 0.57 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.53 2knx h ARG 24 Cb 0.88 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.94 2knx h ARG 24 CO -0.36 0.09 -1.10 -1.49 0.10 0.00 0.00 179.97 177.22 2knx h TRP 25 N 0.00 0.00 -2.00 4.08 4.06 -0.23 -3.43 115.95 118.43 2knx h TRP 25 Ca -0.00 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 60.32 2knx h TRP 25 Cb 0.20 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.40 2knx h TRP 25 CO 0.00 0.44 0.84 1.28 -3.56 0.00 0.00 178.44 177.44 2knx n LEU 26 N -2.93 2.85 -4.10 -4.49 7.99 0.29 -2.31 117.00 114.31 2knx n LEU 26 Ca -0.05 1.05 -0.42 0.00 -0.01 0.00 0.00 56.01 56.59 2knx n LEU 26 Cb 0.75 -1.33 -0.00 0.00 -0.11 0.00 0.00 43.42 42.73 2knx n LEU 26 CO 0.42 -0.37 -0.21 0.00 -1.51 0.00 0.00 177.39 175.71 2knx n ASP 28 N -2.06 1.12 0.00 0.00 5.75 -0.98 -4.98 116.55 115.41 2knx n ASP 28 Ca -0.14 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 2knx n ASP 28 Cb 0.55 0.78 0.00 0.00 -1.03 0.00 0.00 41.12 41.41 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 1.28 1.59 3.34 6.12 0.00 -1.26 -5.07 105.19 111.18 2knx n GLY 29 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.59 5.58 -0.85 1.61 1.01 -1.26 -5.02 116.67 116.16 2knx s ASP 30 Ca 0.00 -1.06 -0.26 0.00 0.71 0.00 0.00 52.55 51.94 2knx s ASP 30 Cb 0.00 -1.97 -0.15 0.00 1.01 0.00 0.00 42.92 41.82 2knx s ASP 30 CO 0.00 -0.37 2.33 -0.54 0.21 0.00 0.00 175.17 176.80 2knx s LYS 31 N 1.50 1.60 0.10 8.23 1.02 -1.26 -4.69 119.74 126.23 2knx s LYS 31 Ca 0.01 0.26 0.07 0.00 0.02 0.00 0.00 55.97 56.33 2knx s LYS 31 Cb -0.19 -4.84 -0.21 0.00 -0.52 0.00 0.00 37.83 32.06 2knx s LYS 31 CO 0.05 -4.56 1.22 -0.44 -0.92 0.00 0.00 175.35 170.70 2knx h ASP 32 N 12.38 0.01 -3.76 2.83 3.32 -1.95 -3.46 116.42 125.79 2knx h ASP 32 Ca 0.01 -0.01 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 2knx h ASP 32 Cb 1.00 -0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.72 2knx h ASP 32 CO 1.02 1.00 0.21 0.00 -1.72 0.00 0.00 179.24 179.75 2knx h ALA 34 N -2.16 -0.18 -0.41 0.00 0.00 -1.93 -3.28 119.26 111.29 2knx h ALA 34 Ca -0.48 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 2knx h ALA 34 Cb 1.30 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 19.00 2knx h ALA 34 CO 0.44 -0.44 -0.19 -0.40 0.00 0.00 0.00 179.25 178.66 2knx n ASP 35 N -5.02 3.07 -2.10 0.00 5.75 -1.26 -4.92 116.55 112.06 2knx n ASP 35 Ca -0.09 -3.81 -0.18 0.00 -0.01 0.00 0.00 54.79 50.70 2knx n ASP 35 Cb 0.22 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 2knx n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2knx n GLY 36 N -1.05 -0.38 0.37 6.12 0.00 -1.24 -4.88 105.19 104.12 2knx n GLY 36 Ca 0.35 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 0.87 1.41 0.00 4.61 0.00 -1.91 -0.51 119.26 123.72 2knx h ALA 37 Ca -0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2knx h ALA 37 Cb 1.32 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2knx h ALA 37 CO 0.51 0.49 -0.06 0.38 0.00 0.00 0.00 179.25 180.57 2knx h ASP 38 N 1.17 0.00 -0.44 0.00 3.04 -1.94 -0.65 116.42 117.60 2knx h ASP 38 Ca 0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 2knx h ASP 38 Cb 0.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 2knx h ASP 38 CO -0.13 0.06 0.00 -0.62 -2.04 0.00 0.00 179.24 176.51 2knx n GLU 39 N -3.52 2.69 -3.58 4.15 -0.58 -0.21 0.35 120.64 119.93 2knx n GLU 39 Ca -0.02 -1.87 -0.17 0.00 -0.42 0.00 0.00 57.16 54.68 2knx n GLU 39 Cb 0.17 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.37 2knx n GLU 39 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2knx n SER 40 N 0.72 1.25 0.20 1.62 7.64 -0.25 -4.88 113.62 119.92 2knx n SER 40 Ca 0.17 -2.42 0.07 0.00 1.01 0.00 0.00 58.87 57.69 2knx n SER 40 Cb 0.59 0.65 0.38 0.00 -1.01 0.00 0.00 64.21 64.82 2knx n SER 40 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2knx h ILE 41 N 1.42 0.82 -0.53 0.44 1.08 -1.88 -3.05 117.51 115.80 2knx h ILE 41 Ca -0.21 -1.37 0.16 0.00 -0.39 0.00 0.00 64.86 63.04 2knx h ILE 41 Cb 0.80 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 2knx h ILE 41 CO 0.34 0.32 0.54 0.00 -0.69 0.00 0.00 178.15 178.66 2knx h ALA 42 N 1.67 2.30 -0.01 1.87 0.00 -1.96 0.73 119.26 123.85 2knx h ALA 42 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2knx h ALA 42 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2knx h ALA 42 CO 0.04 -0.81 -0.33 0.00 0.00 0.00 0.00 179.25 178.15 2knx n ALA 43 N -2.39 3.24 -2.36 0.00 0.00 -1.15 -4.96 120.51 112.89 2knx n ALA 43 Ca 0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 2knx n ALA 43 Cb 0.74 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 1.37 0.58 0.24 0.00 0.00 0.25 -4.94 105.19 102.69 2knx n GLY 44 Ca 0.11 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.65 -4.30 -3.53 0.00 4.77 -1.26 -5.07 117.00 103.96 2knx n LEU 46 Ca -0.01 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 2knx n LEU 46 Cb 0.33 -2.12 -0.10 0.00 -2.33 0.00 0.00 43.42 39.20 2knx n LEU 46 CO 0.33 -0.30 -0.07 -0.31 -1.33 0.00 0.00 177.39 175.71 2knx s TYR 47 N -3.10 -0.65 0.06 -1.77 1.51 -1.26 -5.06 117.35 107.08 2knx s TYR 47 Ca 0.12 0.99 -0.33 0.00 -1.01 0.00 0.00 57.07 56.84 2knx s TYR 47 Cb -0.02 0.04 -0.17 0.00 -0.11 0.00 0.00 41.96 41.71 2knx s TYR 47 CO 0.40 -0.55 1.50 -0.91 -1.11 0.00 0.00 175.55 174.88 2knx h ASN 48 N 8.22 -1.14 -4.75 2.29 -0.26 -2.03 -3.46 115.58 114.45 2knx h ASN 48 Ca -0.17 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 2knx h ASN 48 Cb 1.13 0.34 -0.19 0.00 -1.06 0.00 0.00 38.32 38.55 2knx h ASN 48 CO 0.19 -0.66 0.31 -0.55 -1.06 0.00 0.00 177.43 175.67 2knx s SER 49 N -3.95 -0.55 0.00 5.81 0.15 -1.26 -5.09 113.70 108.81 2knx s SER 49 Ca -0.17 0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2knx s SER 49 Cb 0.03 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2knx s SER 49 CO 0.53 -0.59 0.00 0.35 1.20 0.00 0.00 173.24 174.73