#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 0.20 0.00 1.61 2.88 -1.26 -4.81 113.62 112.24 2knx n SER 2 Ca 0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 2knx n SER 2 Cb 0.00 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2knx n SER 2 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2knx n GLU 3 N 1.13 0.00 -1.95 -1.46 0.28 -1.26 -4.98 120.64 112.39 2knx n GLU 3 Ca 0.21 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.95 2knx n GLU 3 Cb 0.57 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.47 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 -0.84 6.23 0.18 -1.84 0.00 -1.26 -4.71 105.19 102.95 2knx n GLY 4 Ca 0.00 -2.61 0.14 0.00 0.00 0.00 0.00 46.02 43.55 2knx n GLY 4 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2knx h LYS 5 N 2.23 0.00 -6.35 1.61 3.11 -1.94 -3.45 116.57 111.77 2knx h LYS 5 Ca 0.41 0.00 -0.65 0.00 -2.81 0.00 0.00 60.65 57.60 2knx h LYS 5 Cb 1.28 0.00 0.06 0.00 -1.00 0.00 0.00 32.23 32.57 2knx h LYS 5 CO 0.94 0.00 0.52 0.25 -2.81 0.00 0.00 179.45 178.35 2knx n THR 6 N -2.59 0.18 -3.48 1.00 -2.24 -1.26 -4.63 114.28 101.26 2knx n THR 6 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2knx n THR 6 Cb 0.32 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 0.00 0.16 0.23 0.00 0.00 -1.26 -4.71 105.19 99.61 2knx n GLY 8 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 6.17 0.23 -2.19 1.61 0.13 -1.96 -2.35 132.00 133.62 2knx h PRO 9 Ca 0.00 -0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 64.37 2knx h PRO 9 Cb 0.00 -0.05 -0.24 0.00 0.13 0.00 0.00 31.00 30.84 2knx h PRO 9 CO 0.00 0.15 1.18 0.43 -0.23 0.00 0.00 178.00 179.53 2knx n SER 10 N -5.15 7.41 -4.28 1.44 7.64 -1.26 -4.95 113.62 114.47 2knx n SER 10 Ca 0.08 -3.59 -0.26 0.00 1.01 0.00 0.00 58.87 56.12 2knx n SER 10 Cb 0.32 -1.18 -0.13 0.00 -1.01 0.00 0.00 64.21 62.21 2knx n SER 10 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2knx s SER 11 N -0.77 2.62 0.10 6.43 1.04 -0.89 -1.50 113.70 120.73 2knx s SER 11 Ca 0.48 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 56.37 2knx s SER 11 Cb 0.29 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2knx s SER 11 CO -0.23 0.13 -0.09 0.12 0.98 0.00 0.00 173.24 174.15 2knx s PHE 12 N -0.96 2.76 -0.31 5.02 5.36 -0.53 -4.90 117.98 124.42 2knx s PHE 12 Ca 0.08 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 55.86 2knx s PHE 12 Cb -0.09 -1.45 0.04 0.00 -0.34 0.00 0.00 43.02 41.18 2knx s PHE 12 CO 0.03 0.42 0.05 0.45 -1.46 0.00 0.00 175.22 174.71 2knx s SER 13 N -2.16 5.05 0.59 6.13 0.15 -1.26 -1.87 113.70 120.34 2knx s SER 13 Ca 0.21 -1.12 -0.19 0.00 0.70 0.00 0.00 55.95 55.55 2knx s SER 13 Cb -0.11 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 2knx s SER 13 CO 0.13 -0.27 1.09 0.00 1.20 0.00 0.00 173.24 175.40 2knx s PRO 15 N -2.86 4.31 -1.19 0.00 0.04 -1.26 -3.08 135.00 130.97 2knx s PRO 15 Ca 0.76 2.14 -0.06 0.00 0.04 0.00 0.00 61.00 63.87 2knx s PRO 15 Cb -0.42 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 30.93 2knx s PRO 15 CO 0.46 -0.42 0.85 0.41 0.04 0.00 0.00 177.00 178.35 2knx n GLY 16 N 3.12 -0.31 3.60 0.56 0.00 -1.26 -4.98 105.19 105.92 2knx n GLY 16 Ca 0.10 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.21 0.00 -1.69 2.61 -1.32 -1.18 -5.02 115.64 105.83 2knx s THR 17 Ca 0.42 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.15 2knx s THR 17 Cb -0.19 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.97 2knx s THR 17 CO 0.52 0.00 1.43 1.57 -2.21 0.00 0.00 174.62 175.93 2knx n HIS 18 N 0.15 0.00 -1.60 9.09 -0.00 -1.26 -4.18 115.22 117.42 2knx n HIS 18 Ca -0.01 0.00 -0.48 0.00 0.46 0.00 0.00 57.72 57.69 2knx n HIS 18 Cb 0.58 -0.11 -0.05 0.00 -0.12 0.00 0.00 29.99 30.30 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 -0.67 0.43 -3.33 3.57 3.14 -1.26 -4.83 118.33 115.38 2knx n VAL 19 Ca 0.10 -0.23 -0.21 0.00 -2.96 0.00 0.00 64.34 61.04 2knx n VAL 19 Cb 0.37 -1.99 -0.00 0.00 -1.06 0.00 0.00 33.84 31.16 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 -2.31 -0.51 0.61 0.00 0.11 -0.78 -4.84 120.40 112.68 2knx s VAL 21 Ca 0.45 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.37 2knx s VAL 21 Cb -0.10 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2knx s VAL 21 CO 0.34 0.03 1.26 -2.65 -3.33 0.00 0.00 175.10 170.74 2knx n PRO 22 N 4.97 1.26 -0.32 1.54 -0.02 -1.26 -1.45 135.00 139.73 2knx n PRO 22 Ca -0.15 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 61.97 2knx n PRO 22 Cb 0.52 -2.48 0.39 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.82 0.62 -0.11 -0.52 4.39 -1.64 0.57 114.58 118.71 2knx h GLU 23 Ca -0.50 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.19 2knx h GLU 23 Cb 1.33 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2knx h GLU 23 CO 0.54 0.41 0.10 -0.09 -1.16 0.00 0.00 179.01 178.80 2knx h ARG 24 N 0.64 0.00 0.00 2.33 2.43 -1.90 -0.67 114.38 117.21 2knx h ARG 24 Ca 0.55 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.57 2knx h ARG 24 Cb 1.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2knx h ARG 24 CO -0.31 0.00 -1.47 0.91 -1.51 0.00 0.00 179.97 177.59 2knx n TRP 25 N -4.20 0.83 -1.68 2.20 7.02 0.18 -4.70 117.44 117.10 2knx n TRP 25 Ca -0.00 0.27 -0.50 0.00 -1.02 0.00 0.00 57.50 56.25 2knx n TRP 25 Cb 0.21 -1.02 -0.05 0.00 -2.42 0.00 0.00 31.31 28.03 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 -2.80 3.09 -4.07 -0.99 7.99 -0.17 -2.41 117.00 117.64 2knx n LEU 26 Ca -0.09 1.02 -0.42 0.00 -0.01 0.00 0.00 56.01 56.50 2knx n LEU 26 Cb 0.80 -1.33 0.01 0.00 -0.11 0.00 0.00 43.42 42.79 2knx n LEU 26 CO 0.43 -0.23 -0.17 0.00 -1.51 0.00 0.00 177.39 175.91 2knx n ASP 28 N -1.87 0.82 0.00 0.00 5.75 -1.01 -4.97 116.55 115.26 2knx n ASP 28 Ca -0.11 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 2knx n ASP 28 Cb 0.51 1.35 0.00 0.00 -1.03 0.00 0.00 41.12 41.95 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 1.43 1.91 2.93 6.12 0.00 -1.26 -5.12 105.19 111.20 2knx n GLY 29 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.57 -1.02 1.61 1.11 -1.26 -5.07 116.67 110.60 2knx s ASP 30 Ca 0.00 0.27 -0.26 0.00 0.18 0.00 0.00 52.55 52.74 2knx s ASP 30 Cb 0.00 0.80 -0.18 0.00 1.07 0.00 0.00 42.92 44.62 2knx s ASP 30 CO 0.00 -0.28 2.15 -0.54 1.18 0.00 0.00 175.17 177.67 2knx s LYS 31 N 2.45 1.54 0.17 8.23 1.02 -1.26 -4.64 119.74 127.25 2knx s LYS 31 Ca 0.06 -0.32 0.09 0.00 0.02 0.00 0.00 55.97 55.82 2knx s LYS 31 Cb -0.14 -4.98 -0.09 0.00 -0.52 0.00 0.00 37.83 32.09 2knx s LYS 31 CO -0.12 -4.93 1.35 -0.44 -0.92 0.00 0.00 175.35 170.28 2knx h ASP 32 N 11.56 0.00 -4.41 2.83 3.32 -1.93 -3.45 116.42 124.34 2knx h ASP 32 Ca 0.04 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.60 2knx h ASP 32 Cb 0.99 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.62 2knx h ASP 32 CO 1.05 0.85 0.41 0.00 -1.72 0.00 0.00 179.24 179.83 2knx h ALA 34 N -0.58 1.47 0.00 0.00 0.00 -1.98 -2.79 119.26 115.39 2knx h ALA 34 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2knx h ALA 34 Cb 1.23 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2knx h ALA 34 CO 0.62 0.46 -0.51 -0.25 0.00 0.00 0.00 179.25 179.57 2knx n ASP 35 N -4.43 1.67 -1.89 0.00 8.00 -1.26 -4.95 116.55 113.69 2knx n ASP 35 Ca 0.10 -3.65 -0.20 0.00 0.71 0.00 0.00 54.79 51.75 2knx n ASP 35 Cb 0.08 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 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 -0.98 0.98 0.29 0.44 0.00 -1.05 -4.85 105.19 100.03 2knx n GLY 36 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.45 1.20 -0.00 4.61 0.00 -1.93 0.71 119.26 124.30 2knx h ALA 37 Ca -0.43 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2knx h ALA 37 Cb 1.31 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2knx h ALA 37 CO 0.58 -0.33 0.00 0.38 0.00 0.00 0.00 179.25 179.88 2knx h ASP 38 N 0.34 0.00 -0.40 0.00 3.04 -1.94 0.65 116.42 118.12 2knx h ASP 38 Ca 0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 2knx h ASP 38 Cb 0.89 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.18 2knx h ASP 38 CO -0.52 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.06 2knx n GLU 39 N -3.52 2.51 -4.45 4.15 -0.58 0.25 0.85 120.64 119.83 2knx n GLU 39 Ca -0.03 -1.67 -0.22 0.00 -0.42 0.00 0.00 57.16 54.82 2knx n GLU 39 Cb 0.08 -1.58 -0.10 0.00 -0.57 0.00 0.00 31.44 29.27 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 -0.79 2.37 0.57 1.62 0.01 0.22 -4.88 113.70 112.83 2knx s SER 40 Ca 0.30 -1.43 0.29 0.00 1.31 0.00 0.00 55.95 56.42 2knx s SER 40 Cb 0.19 0.03 1.74 0.00 0.21 0.00 0.00 66.02 68.19 2knx s SER 40 CO 0.16 -0.67 2.21 0.40 0.41 0.00 0.00 173.24 175.75 2knx h ILE 41 N 2.07 0.54 -0.37 1.44 5.03 -1.81 -1.88 117.51 122.54 2knx h ILE 41 Ca -0.40 -0.12 0.11 0.00 -0.12 0.00 0.00 64.86 64.33 2knx h ILE 41 Cb 1.25 1.08 -0.01 0.00 -3.03 0.00 0.00 36.82 36.10 2knx h ILE 41 CO 0.67 0.03 0.44 0.00 -0.68 0.00 0.00 178.15 178.61 2knx h ALA 42 N 1.97 2.04 -0.48 1.87 0.00 -1.84 0.67 119.26 123.49 2knx h ALA 42 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2knx h ALA 42 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2knx h ALA 42 CO 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.63 2knx n ALA 43 N -2.29 2.91 0.00 0.00 0.00 -0.71 -4.88 120.51 115.54 2knx n ALA 43 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2knx n ALA 43 Cb 0.60 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.95 1.27 3.68 0.00 0.00 0.23 -5.02 105.19 106.30 2knx n GLY 44 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.08 -0.47 -4.54 0.00 4.77 -1.26 -4.15 117.00 107.27 2knx n LEU 46 Ca 0.07 0.50 -0.24 0.00 -0.03 0.00 0.00 56.01 56.32 2knx n LEU 46 Cb 0.54 0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 42.19 2knx n LEU 46 CO 0.55 -0.70 1.71 0.00 -1.33 0.00 0.00 177.39 177.61 2knx n TYR 47 N -3.42 0.91 -2.51 -1.77 4.11 -1.26 -4.89 117.16 108.33 2knx n TYR 47 Ca 0.00 0.06 -0.24 0.00 -0.00 0.00 0.00 57.90 57.72 2knx n TYR 47 Cb 0.00 -2.15 0.13 0.00 -0.00 0.00 0.00 39.34 37.32 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 14.38 1.17 0.00 9.48 5.15 -1.26 -5.06 115.26 139.11 2knx n ASN 48 Ca 0.51 -2.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.45 2knx n ASN 48 Cb 0.35 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 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 -3.06 2.05 0.00 1.20 7.64 -1.26 -5.26 113.62 114.93 2knx n SER 49 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2knx n SER 49 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2knx n SER 49 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44