#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 4.04 0.00 1.61 1.04 -1.26 -4.95 113.70 114.18 2knx s SER 2 Ca 0.00 -2.93 0.00 0.00 0.48 0.00 0.00 55.95 53.50 2knx s SER 2 Cb 0.00 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.74 2knx s SER 2 CO 0.00 -0.23 0.00 1.21 0.98 0.00 0.00 173.24 175.20 2knx n GLU 3 N 3.18 0.00 0.00 4.02 4.07 -1.26 -3.94 120.64 126.71 2knx n GLU 3 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 2knx n GLU 3 Cb 0.34 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.72 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2knx n GLY 4 N 0.00 0.70 1.76 8.31 0.00 -1.26 -5.07 105.19 109.62 2knx n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 4.76 -1.25 -5.05 118.16 118.22 2knx n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2knx n LYS 5 Cb 0.00 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.07 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 -3.08 0.00 -3.41 -0.18 -2.24 -1.26 -3.07 114.28 101.04 2knx n THR 6 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2knx n THR 6 Cb 0.06 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.72 -2.37 3.68 0.00 0.00 -1.18 -4.71 105.19 102.33 2knx n GLY 8 Ca 0.25 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.09 2.56 -3.18 1.61 -0.04 -1.26 -2.64 135.00 131.96 2knx n PRO 9 Ca 0.00 0.93 -0.14 0.00 -0.04 0.00 0.00 63.50 64.25 2knx n PRO 9 Cb 0.00 -2.82 0.07 0.00 -0.04 0.00 0.00 33.50 30.71 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 6.20 -5.92 -4.80 3.54 2.88 -1.26 -3.81 113.62 110.45 2knx n SER 10 Ca 0.20 -0.66 -0.36 0.00 -1.33 0.00 0.00 58.87 56.72 2knx n SER 10 Cb 0.35 -4.96 -0.06 0.00 -0.75 0.00 0.00 64.21 58.78 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 -3.47 7.19 0.12 -3.46 1.04 -1.08 -2.56 113.70 111.48 2knx s SER 11 Ca 0.39 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.58 2knx s SER 11 Cb -0.05 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2knx s SER 11 CO 0.70 -0.11 0.05 0.12 0.98 0.00 0.00 173.24 174.98 2knx s PHE 12 N -1.73 3.06 -0.19 5.02 5.36 0.32 -4.86 117.98 124.97 2knx s PHE 12 Ca 0.51 -0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 56.42 2knx s PHE 12 Cb -0.16 -1.53 -0.03 0.00 -0.34 0.00 0.00 43.02 40.96 2knx s PHE 12 CO 0.21 0.51 0.01 0.45 -1.46 0.00 0.00 175.22 174.93 2knx s SER 13 N -2.62 5.01 0.32 6.13 0.15 -1.26 -0.13 113.70 121.30 2knx s SER 13 Ca 0.28 -0.13 -0.27 0.00 0.70 0.00 0.00 55.95 56.53 2knx s SER 13 Cb -0.11 -1.85 -0.09 0.00 -1.71 0.00 0.00 66.02 62.26 2knx s SER 13 CO 0.21 0.11 1.07 0.00 1.20 0.00 0.00 173.24 175.82 2knx s PRO 15 N -1.83 3.97 -1.14 0.00 0.04 -1.26 -3.59 135.00 131.18 2knx s PRO 15 Ca 0.49 1.66 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 2knx s PRO 15 Cb -0.28 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2knx s PRO 15 CO 0.35 -0.34 0.48 0.41 0.04 0.00 0.00 177.00 177.94 2knx n GLY 16 N 0.40 -0.20 0.00 0.56 0.00 -1.26 -4.89 105.19 99.80 2knx n GLY 16 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.20 0.00 -1.50 2.61 5.66 -1.24 -5.03 114.28 110.58 2knx n THR 17 Ca -0.08 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.87 2knx n THR 17 Cb 0.59 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.56 2knx n THR 17 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2knx n HIS 18 N -0.01 1.15 -3.45 1.09 8.25 -1.26 -4.66 115.22 116.32 2knx n HIS 18 Ca 0.00 -1.68 -0.37 0.00 -0.26 0.00 0.00 57.72 55.41 2knx n HIS 18 Cb 0.00 -0.49 -0.06 0.00 1.12 0.00 0.00 29.99 30.55 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 -3.37 5.18 0.33 1.59 0.11 -1.26 -4.98 120.40 118.00 2knx s VAL 19 Ca 0.45 0.78 0.08 0.00 -2.93 0.00 0.00 61.98 60.37 2knx s VAL 19 Cb 0.41 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 2knx s VAL 19 CO -0.01 0.43 0.17 0.00 -3.33 0.00 0.00 175.10 172.36 2knx s VAL 21 N -2.36 -0.01 0.49 0.00 0.11 0.81 -4.76 120.40 114.68 2knx s VAL 21 Ca 0.38 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.26 2knx s VAL 21 Cb -0.04 -0.66 -0.07 0.00 -1.53 0.00 0.00 36.38 34.08 2knx s VAL 21 CO 0.24 0.02 1.09 -2.16 -3.33 0.00 0.00 175.10 170.96 2knx s PRO 22 N 0.94 3.67 0.35 1.54 0.04 -1.24 0.12 135.00 140.41 2knx s PRO 22 Ca -0.06 1.54 0.12 0.00 0.04 0.00 0.00 61.00 62.64 2knx s PRO 22 Cb -0.06 -2.16 0.95 0.00 0.04 0.00 0.00 34.50 33.27 2knx s PRO 22 CO -0.08 -0.57 1.75 0.93 0.04 0.00 0.00 177.00 179.07 2knx h GLU 23 N 1.62 0.52 0.00 4.56 5.08 -1.59 0.89 114.58 125.66 2knx h GLU 23 Ca -0.50 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 2knx h GLU 23 Cb 1.24 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2knx h GLU 23 CO 0.59 0.34 -0.07 0.07 -1.00 0.00 0.00 179.01 178.94 2knx h ARG 24 N 0.54 0.00 0.00 2.33 -0.00 -1.89 -1.47 114.38 113.89 2knx h ARG 24 Ca 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 60.45 2knx h ARG 24 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.23 2knx h ARG 24 CO -0.40 0.07 -1.21 -1.49 -0.00 0.00 0.00 179.97 176.94 2knx h TRP 25 N 0.00 0.00 -1.98 4.08 4.06 0.37 -3.42 115.95 119.06 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 0.15 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.34 2knx h TRP 25 CO 0.00 0.53 1.00 1.28 -3.56 0.00 0.00 178.44 177.68 2knx n LEU 26 N -2.94 3.16 -4.05 -4.49 7.99 -0.07 -2.33 117.00 114.27 2knx n LEU 26 Ca -0.07 1.01 -0.34 0.00 -0.01 0.00 0.00 56.01 56.60 2knx n LEU 26 Cb 0.80 -1.34 -0.03 0.00 -0.11 0.00 0.00 43.42 42.74 2knx n LEU 26 CO 0.42 -0.19 -0.27 0.00 -1.51 0.00 0.00 177.39 175.84 2knx n ASP 28 N -2.05 0.70 0.00 0.00 5.75 -0.99 -4.96 116.55 115.01 2knx n ASP 28 Ca -0.18 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 2knx n ASP 28 Cb 0.54 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 1.42 1.86 2.94 6.12 0.00 -1.26 -5.11 105.19 111.17 2knx n GLY 29 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 0.05 -0.77 1.61 1.11 -1.26 -5.09 116.67 110.33 2knx s ASP 30 Ca 0.00 0.23 -0.24 0.00 0.18 0.00 0.00 52.55 52.72 2knx s ASP 30 Cb 0.00 1.25 -0.16 0.00 1.07 0.00 0.00 42.92 45.08 2knx s ASP 30 CO 0.00 -0.30 2.40 0.29 1.18 0.00 0.00 175.17 178.73 2knx n LYS 31 N 5.37 0.54 -0.01 8.23 5.02 -1.26 -4.69 118.16 131.36 2knx n LYS 31 Ca -0.03 -0.47 -0.10 0.00 -2.02 0.00 0.00 58.31 55.69 2knx n LYS 31 Cb 0.50 -3.08 -0.14 0.00 -0.02 0.00 0.00 35.03 32.30 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 13.98 0.04 -2.24 4.39 3.32 -1.94 -3.46 116.42 130.51 2knx h ASP 32 Ca -0.05 -0.09 -0.19 0.00 0.02 0.00 0.00 57.03 56.72 2knx h ASP 32 Cb 1.10 -0.01 0.10 0.00 0.22 0.00 0.00 39.33 40.74 2knx h ASP 32 CO 1.16 1.08 0.01 0.00 -1.72 0.00 0.00 179.24 179.77 2knx h ALA 34 N -2.52 -0.00 -0.32 0.00 0.00 -1.91 -3.35 119.26 111.15 2knx h ALA 34 Ca -0.20 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 2knx h ALA 34 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.25 2knx h ALA 34 CO 0.13 -0.15 -0.50 -3.47 0.00 0.00 0.00 179.25 175.25 2knx n ASP 35 N -4.75 3.01 -1.66 0.00 -0.08 -1.26 -4.92 116.55 106.89 2knx n ASP 35 Ca -0.09 -3.84 -0.16 0.00 -1.51 0.00 0.00 54.79 49.19 2knx n ASP 35 Cb 0.35 -0.50 -0.02 0.00 2.34 0.00 0.00 41.12 43.29 2knx n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2knx n GLY 36 N -0.98 0.11 0.32 0.27 0.00 -1.26 -4.90 105.19 98.76 2knx n GLY 36 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 0.59 1.12 -0.39 4.61 0.00 -1.91 -1.12 119.26 122.16 2knx h ALA 37 Ca -0.36 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.63 2knx h ALA 37 Cb 1.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2knx h ALA 37 CO 0.44 0.37 0.34 0.38 0.00 0.00 0.00 179.25 180.78 2knx h ASP 38 N 1.05 0.00 -0.43 0.00 3.04 -1.95 0.46 116.42 118.59 2knx h ASP 38 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 2knx h ASP 38 Cb 0.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.31 2knx h ASP 38 CO -0.12 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.46 2knx n GLU 39 N -4.05 3.76 -0.95 4.15 -0.58 -0.43 -1.61 120.64 120.93 2knx n GLU 39 Ca 0.06 -2.30 0.00 0.00 -0.42 0.00 0.00 57.16 54.51 2knx n GLU 39 Cb 0.52 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2knx n GLU 39 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2knx n SER 40 N 0.51 1.14 0.09 1.62 2.88 0.16 -4.96 113.62 115.06 2knx n SER 40 Ca 0.20 -0.48 -0.04 0.00 -1.33 0.00 0.00 58.87 57.23 2knx n SER 40 Cb 0.91 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.31 2knx n SER 40 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2knx h ILE 41 N 0.48 1.40 -0.89 2.46 1.08 -1.78 -3.05 117.51 117.20 2knx h ILE 41 Ca 0.00 -2.98 0.24 0.00 -0.39 0.00 0.00 64.86 61.73 2knx h ILE 41 Cb 0.00 2.69 -0.05 0.00 -3.07 0.00 0.00 36.82 36.39 2knx h ILE 41 CO 0.00 0.80 0.62 0.00 -0.69 0.00 0.00 178.15 178.88 2knx h ALA 42 N 1.18 2.63 0.00 1.87 0.00 -1.95 0.45 119.26 123.44 2knx h ALA 42 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2knx h ALA 42 Cb 1.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2knx h ALA 42 CO 0.11 -0.90 -0.62 0.00 0.00 0.00 0.00 179.25 177.84 2knx h ALA 43 N 1.58 0.69 0.00 0.00 0.00 -1.63 -3.48 119.26 116.42 2knx h ALA 43 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2knx h ALA 43 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2knx h ALA 43 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2knx n GLY 44 N 1.16 1.40 3.06 0.00 0.00 0.16 -5.04 105.19 105.92 2knx n GLY 44 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 1.99 4.94 -0.02 0.00 4.77 -1.26 -4.47 117.00 122.94 2knx n LEU 46 Ca 0.28 -3.81 0.03 0.00 -0.03 0.00 0.00 56.01 52.47 2knx n LEU 46 Cb 0.35 -1.71 -0.10 0.00 -2.33 0.00 0.00 43.42 39.62 2knx n LEU 46 CO 0.69 -0.01 -0.73 -1.22 -1.33 0.00 0.00 177.39 174.79 2knx n TYR 47 N 8.88 0.00 -2.57 -1.77 4.02 -1.26 -5.07 117.16 119.39 2knx n TYR 47 Ca 0.49 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.32 2knx n TYR 47 Cb 0.45 -0.40 0.01 0.00 -0.02 0.00 0.00 39.34 39.37 2knx n TYR 47 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2knx n ASN 48 N -2.12 -6.72 -3.63 7.72 5.03 -1.26 -5.07 115.26 109.21 2knx n ASN 48 Ca -0.08 0.41 -0.13 0.00 0.87 0.00 0.00 54.58 55.65 2knx n ASN 48 Cb 0.52 -4.48 -0.07 0.00 -1.02 0.00 0.00 39.78 34.73 2knx n ASN 48 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2knx s SER 49 N -2.29 -0.77 0.00 6.41 1.04 -1.26 -5.29 113.70 111.55 2knx s SER 49 Ca 0.19 1.45 0.27 0.00 0.48 0.00 0.00 55.95 58.34 2knx s SER 49 Cb -0.05 1.45 0.91 0.00 0.10 0.00 0.00 66.02 68.42 2knx s SER 49 CO 0.61 -0.25 1.67 0.41 0.98 0.00 0.00 173.24 176.66