#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 -5.53 -1.66 1.61 3.41 -1.26 -4.67 113.62 105.53 2knx n SER 2 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2knx n SER 2 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.79 0.25 0.00 4.33 0.00 -1.26 -5.04 120.64 117.14 2knx n GLU 3 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 57.16 55.05 2knx n GLU 3 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 31.44 31.27 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2knx n GLY 4 N 0.28 0.31 0.22 -1.84 0.00 -1.26 -5.10 105.19 97.79 2knx n GLY 4 Ca 0.03 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2knx n GLY 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2knx n LYS 5 N 0.00 0.00 0.00 1.61 4.81 -1.26 -5.05 118.16 118.27 2knx n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2knx n LYS 5 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2knx n THR 6 N -1.50 0.00 -0.05 3.15 -2.24 -1.26 -1.24 114.28 111.13 2knx n THR 6 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2knx n THR 6 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 2.85 -1.23 3.77 0.00 0.00 -0.37 -3.57 105.19 106.64 2knx n GLY 8 Ca -0.20 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2knx n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2knx s PRO 9 N -0.97 3.96 -0.50 1.61 0.04 -1.26 -3.90 135.00 133.98 2knx s PRO 9 Ca 0.00 2.52 -0.23 0.00 0.04 0.00 0.00 61.00 63.33 2knx s PRO 9 Cb 0.00 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.71 2knx s PRO 9 CO 0.00 -0.63 0.64 -1.13 0.04 0.00 0.00 177.00 175.92 2knx n SER 10 N 0.23 -6.64 -4.50 6.66 3.41 -1.26 -4.80 113.62 106.72 2knx n SER 10 Ca 0.02 0.06 -0.24 0.00 -0.26 0.00 0.00 58.87 58.45 2knx n SER 10 Cb 0.40 -3.50 -0.10 0.00 -0.26 0.00 0.00 64.21 60.76 2knx n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2knx s SER 11 N -2.20 3.77 0.24 4.04 1.04 -1.25 -3.54 113.70 115.79 2knx s SER 11 Ca 0.26 -0.91 -0.05 0.00 0.48 0.00 0.00 55.95 55.73 2knx s SER 11 Cb -0.05 -0.41 -0.06 0.00 0.10 0.00 0.00 66.02 65.61 2knx s SER 11 CO 0.82 0.05 0.50 0.12 0.98 0.00 0.00 173.24 175.71 2knx s PHE 12 N -2.31 3.47 -0.22 5.02 5.36 0.24 -4.84 117.98 124.70 2knx s PHE 12 Ca 0.29 0.63 -0.06 0.00 -0.96 0.00 0.00 56.93 56.82 2knx s PHE 12 Cb -0.06 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2knx s PHE 12 CO 0.15 0.27 0.04 0.45 -1.46 0.00 0.00 175.22 174.67 2knx s SER 13 N -2.86 5.03 0.16 6.13 0.15 -1.26 -0.87 113.70 120.18 2knx s SER 13 Ca 0.43 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.61 2knx s SER 13 Cb -0.11 -1.88 -0.07 0.00 -1.71 0.00 0.00 66.02 62.25 2knx s SER 13 CO 0.27 0.03 1.10 0.00 1.20 0.00 0.00 173.24 175.84 2knx s PRO 15 N -0.22 4.22 0.00 0.00 0.04 -1.26 -3.01 135.00 134.77 2knx s PRO 15 Ca 0.50 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.88 2knx s PRO 15 Cb -0.29 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.02 2knx s PRO 15 CO 0.34 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2knx n GLY 16 N 3.77 2.85 3.60 0.56 0.00 -1.26 -5.00 105.19 109.71 2knx n GLY 16 Ca 0.14 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.56 3.06 -2.08 2.61 -1.32 -1.16 -5.02 115.64 111.16 2knx s THR 17 Ca 0.00 -2.05 0.31 0.00 -1.21 0.00 0.00 61.69 58.73 2knx s THR 17 Cb 0.00 -2.69 0.76 0.00 -1.51 0.00 0.00 72.50 69.06 2knx s THR 17 CO 0.00 -0.35 2.06 0.00 -2.21 0.00 0.00 174.62 174.12 2knx n HIS 18 N -0.83 0.00 -1.89 9.09 1.44 -1.26 -4.15 115.22 117.61 2knx n HIS 18 Ca -0.06 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.24 2knx n HIS 18 Cb 0.60 -0.03 -0.02 0.00 0.12 0.00 0.00 29.99 30.66 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 -2.06 2.42 0.15 0.61 0.11 -1.26 -4.80 120.40 115.56 2knx s VAL 19 Ca 0.43 0.33 0.09 0.00 -2.93 0.00 0.00 61.98 59.90 2knx s VAL 19 Cb 0.21 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 2knx s VAL 19 CO 0.37 0.04 -0.20 0.00 -3.33 0.00 0.00 175.10 171.99 2knx s VAL 21 N -1.73 0.81 0.51 0.00 0.11 -0.05 -4.09 120.40 115.96 2knx s VAL 21 Ca 0.13 -0.44 -0.22 0.00 -2.93 0.00 0.00 61.98 58.53 2knx s VAL 21 Cb -0.07 -0.68 -0.06 0.00 -1.53 0.00 0.00 36.38 34.04 2knx s VAL 21 CO 0.06 0.23 1.25 -2.84 -3.33 0.00 0.00 175.10 170.47 2knx s PRO 22 N -0.22 3.39 0.29 1.54 0.02 -1.23 0.81 135.00 139.59 2knx s PRO 22 Ca 0.04 1.97 0.04 0.00 0.02 0.00 0.00 61.00 63.07 2knx s PRO 22 Cb -0.04 -2.27 0.69 0.00 0.02 0.00 0.00 34.50 32.89 2knx s PRO 22 CO -0.00 -0.91 1.76 0.93 -0.33 0.00 0.00 177.00 178.45 2knx h GLU 23 N 1.63 0.66 0.00 5.54 5.08 -1.87 0.62 114.58 126.25 2knx h GLU 23 Ca -0.50 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2knx h GLU 23 Cb 1.28 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2knx h GLU 23 CO 0.58 0.44 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.92 2knx h ARG 24 N 0.68 0.00 0.00 2.33 2.43 -1.91 -1.37 114.38 116.54 2knx h ARG 24 Ca 0.55 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.58 2knx h ARG 24 Cb 0.87 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2knx h ARG 24 CO -0.40 0.03 -1.38 0.91 -1.51 0.00 0.00 179.97 177.62 2knx n TRP 25 N -4.13 0.95 -1.65 2.20 7.02 0.19 -4.76 117.44 117.27 2knx n TRP 25 Ca -0.03 0.31 -0.52 0.00 -1.02 0.00 0.00 57.50 56.24 2knx n TRP 25 Cb 0.11 -1.06 -0.06 0.00 -2.42 0.00 0.00 31.31 27.88 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 -2.84 2.29 -4.17 -0.99 7.99 0.46 -1.98 117.00 117.76 2knx n LEU 26 Ca -0.08 1.08 -0.42 0.00 -0.01 0.00 0.00 56.01 56.58 2knx n LEU 26 Cb 0.80 -1.23 -0.02 0.00 -0.11 0.00 0.00 43.42 42.85 2knx n LEU 26 CO 0.43 -0.64 -0.27 0.00 -1.51 0.00 0.00 177.39 175.40 2knx n ASP 28 N -2.36 1.33 0.00 0.00 5.75 -0.84 -4.97 116.55 115.47 2knx n ASP 28 Ca -0.18 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2knx n ASP 28 Cb 0.60 0.64 0.00 0.00 -1.03 0.00 0.00 41.12 41.33 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 1.21 2.14 3.33 6.12 0.00 -1.26 -5.08 105.19 111.64 2knx n GLY 29 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2knx n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2knx s ASP 30 N -1.90 4.87 -0.84 1.61 2.15 -1.26 -5.03 116.67 116.26 2knx s ASP 30 Ca 0.00 -0.63 -0.25 0.00 0.43 0.00 0.00 52.55 52.10 2knx s ASP 30 Cb 0.00 -1.83 -0.09 0.00 -0.30 0.00 0.00 42.92 40.71 2knx s ASP 30 CO 0.00 -0.14 2.15 -0.54 -0.17 0.00 0.00 175.17 176.48 2knx s LYS 31 N 1.48 2.13 0.35 4.34 1.02 -1.26 -4.76 119.74 123.04 2knx s LYS 31 Ca 0.03 0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.21 2knx s LYS 31 Cb -0.16 -4.91 0.64 0.00 -0.52 0.00 0.00 37.83 32.88 2knx s LYS 31 CO 0.01 -3.82 1.83 -0.44 -0.92 0.00 0.00 175.35 172.00 2knx h ASP 32 N 12.21 0.25 -3.18 2.83 3.32 -1.95 -3.44 116.42 126.47 2knx h ASP 32 Ca 0.04 -0.07 -0.48 0.00 0.02 0.00 0.00 57.03 56.53 2knx h ASP 32 Cb 1.01 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.52 2knx h ASP 32 CO 1.12 0.50 -0.03 0.00 -1.72 0.00 0.00 179.24 179.10 2knx h ALA 34 N 0.45 1.36 -0.01 0.00 0.00 -1.99 -2.76 119.26 116.30 2knx h ALA 34 Ca -0.48 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2knx h ALA 34 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2knx h ALA 34 CO 0.61 0.36 -0.36 -0.25 0.00 0.00 0.00 179.25 179.62 2knx n ASP 35 N -3.96 1.70 -1.23 0.00 8.00 -1.26 -4.99 116.55 114.81 2knx n ASP 35 Ca -0.02 -1.35 -0.09 0.00 0.71 0.00 0.00 54.79 54.04 2knx n ASP 35 Cb 0.36 0.47 0.01 0.00 -0.02 0.00 0.00 41.12 41.93 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 1.19 0.07 0.36 0.44 0.00 -1.04 -4.93 105.19 101.28 2knx n GLY 36 Ca 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 0.43 1.19 0.00 4.61 0.00 -1.93 -1.63 119.26 121.92 2knx h ALA 37 Ca -0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2knx h ALA 37 Cb 1.16 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2knx h ALA 37 CO 0.25 0.65 -0.02 0.38 0.00 0.00 0.00 179.25 180.51 2knx h ASP 38 N 1.22 0.00 -0.32 0.00 3.04 -1.94 0.40 116.42 118.82 2knx h ASP 38 Ca 0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 2knx h ASP 38 Cb 0.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 2knx h ASP 38 CO -0.05 0.02 0.00 -0.62 -2.04 0.00 0.00 179.24 176.55 2knx n GLU 39 N -4.04 1.79 -4.48 4.15 -0.58 -0.62 -0.63 120.64 116.23 2knx n GLU 39 Ca -0.03 -1.22 -0.24 0.00 -0.42 0.00 0.00 57.16 55.25 2knx n GLU 39 Cb 0.10 -1.29 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.08 2.58 0.63 1.62 0.01 0.13 -4.88 113.70 112.70 2knx s SER 40 Ca 0.25 -1.60 0.37 0.00 1.31 0.00 0.00 55.95 56.28 2knx s SER 40 Cb 0.13 0.37 2.11 0.00 0.21 0.00 0.00 66.02 68.84 2knx s SER 40 CO 0.17 -0.86 2.30 0.40 0.41 0.00 0.00 173.24 175.67 2knx h ILE 41 N 1.90 0.27 -0.94 1.44 1.08 -1.78 -2.20 117.51 117.28 2knx h ILE 41 Ca -0.36 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.38 2knx h ILE 41 Cb 1.27 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.96 2knx h ILE 41 CO 0.59 0.00 0.67 0.00 -0.69 0.00 0.00 178.15 178.73 2knx h ALA 42 N 1.98 2.87 0.00 1.87 0.00 -1.94 0.51 119.26 124.55 2knx h ALA 42 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2knx h ALA 42 Cb 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2knx h ALA 42 CO -0.00 -1.14 -1.01 0.00 0.00 0.00 0.00 179.25 177.10 2knx n ALA 43 N -2.72 2.51 0.00 0.00 0.00 -0.83 -4.96 120.51 114.52 2knx n ALA 43 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2knx n ALA 43 Cb 1.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 1.18 1.54 3.39 0.00 0.00 0.18 -5.04 105.19 106.45 2knx n GLY 44 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 6.26 7.87 -3.15 0.00 4.32 -1.26 -4.43 117.00 126.61 2knx n LEU 46 Ca 0.01 -4.74 0.06 0.00 -0.02 0.00 0.00 56.01 51.32 2knx n LEU 46 Cb 0.45 -1.36 -0.01 0.00 -1.62 0.00 0.00 43.42 40.88 2knx n LEU 46 CO 0.54 2.02 0.64 -0.72 -1.22 0.00 0.00 177.39 178.65 2knx s TYR 47 N -1.01 -0.26 0.00 -1.77 1.13 -1.26 -5.18 117.35 109.00 2knx s TYR 47 Ca 0.56 0.21 0.00 0.00 -1.41 0.00 0.00 57.07 56.42 2knx s TYR 47 Cb 0.21 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 2knx s TYR 47 CO -0.11 -0.15 0.00 -1.71 -2.51 0.00 0.00 175.55 171.08 2knx n ASN 48 N 5.27 1.21 0.00 -0.18 5.15 -1.26 -4.81 115.26 120.64 2knx n ASN 48 Ca 0.01 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 2knx n ASN 48 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 2knx n ASN 48 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2knx n SER 49 N -0.49 0.00 0.00 1.20 2.88 -1.26 -5.26 113.62 110.69 2knx n SER 49 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2knx n SER 49 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2knx n SER 49 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16