#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 -2.88 -2.38 1.61 2.88 -1.26 -4.94 113.62 106.64 2knx n SER 2 Ca 0.00 -2.36 -0.21 0.00 -1.33 0.00 0.00 58.87 54.97 2knx n SER 2 Cb 0.00 1.47 -0.01 0.00 -0.75 0.00 0.00 64.21 64.92 2knx n SER 2 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2knx n GLU 3 N 2.81 -1.69 -2.33 -1.46 4.07 -1.26 -3.78 120.64 117.01 2knx n GLU 3 Ca 0.16 1.01 -0.04 0.00 -0.06 0.00 0.00 57.16 58.23 2knx n GLU 3 Cb 0.59 -5.67 0.00 0.00 -0.06 0.00 0.00 31.44 26.30 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 -1.02 -1.70 1.97 8.31 0.00 -1.26 -4.95 105.19 106.54 2knx n GLY 4 Ca -0.25 0.63 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.19 2.62 -0.02 1.61 2.85 -1.25 -4.53 118.16 119.26 2knx n LYS 5 Ca 0.06 -3.42 -0.19 0.00 -1.05 0.00 0.00 58.31 53.71 2knx n LYS 5 Cb 0.22 -2.16 -0.14 0.00 -0.65 0.00 0.00 35.03 32.31 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2knx n THR 6 N -0.96 1.71 -2.98 0.58 -2.24 -1.26 -4.77 114.28 104.35 2knx n THR 6 Ca 0.51 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 2knx n THR 6 Cb 0.99 -1.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 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 2.21 -3.43 0.34 0.00 0.00 -1.26 -4.72 105.19 98.33 2knx n GLY 8 Ca 0.19 -1.15 0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -3.03 1.61 0.13 -2.01 -3.23 132.00 125.48 2knx h PRO 9 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 2knx h PRO 9 Cb 0.00 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.72 2knx h PRO 9 CO 0.00 0.00 -0.66 -1.54 -0.23 0.00 0.00 178.00 175.57 2knx s SER 10 N -5.34 4.14 -0.14 1.44 1.04 -1.26 -5.08 113.70 108.49 2knx s SER 10 Ca -0.04 -3.46 -0.04 0.00 0.48 0.00 0.00 55.95 52.89 2knx s SER 10 Cb 0.14 -1.40 -0.03 0.00 0.10 0.00 0.00 66.02 64.82 2knx s SER 10 CO 0.47 -0.14 -0.01 -0.94 0.98 0.00 0.00 173.24 173.60 2knx s SER 11 N -0.83 5.04 0.09 7.02 1.04 -1.22 -0.17 113.70 124.66 2knx s SER 11 Ca 0.24 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.67 2knx s SER 11 Cb -0.09 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 2knx s SER 11 CO -0.12 0.23 0.14 0.12 0.98 0.00 0.00 173.24 174.58 2knx s PHE 12 N 0.02 3.30 -0.15 5.02 5.36 0.22 -4.86 117.98 126.89 2knx s PHE 12 Ca 0.02 0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 56.09 2knx s PHE 12 Cb -0.13 -1.65 -0.02 0.00 -0.34 0.00 0.00 43.02 40.88 2knx s PHE 12 CO 0.02 0.54 -0.09 0.45 -1.46 0.00 0.00 175.22 174.68 2knx s SER 13 N -2.55 4.23 0.24 6.13 0.15 -1.26 0.66 113.70 121.30 2knx s SER 13 Ca 0.31 -0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 2knx s SER 13 Cb -0.12 -1.67 -0.09 0.00 -1.71 0.00 0.00 66.02 62.43 2knx s SER 13 CO 0.24 0.13 1.29 0.00 1.20 0.00 0.00 173.24 176.11 2knx s PRO 15 N -0.61 4.46 0.00 0.00 0.04 -1.26 -3.39 135.00 134.25 2knx s PRO 15 Ca 0.54 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2knx s PRO 15 Cb -0.37 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2knx s PRO 15 CO 0.42 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.82 2knx n GLY 16 N 1.11 2.37 3.78 0.56 0.00 -1.26 -4.96 105.19 106.79 2knx n GLY 16 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.49 2.20 -0.83 2.61 -1.32 -1.22 -5.06 115.64 111.53 2knx s THR 17 Ca 0.00 -1.63 -0.00 0.00 -1.21 0.00 0.00 61.69 58.85 2knx s THR 17 Cb 0.00 -2.83 0.35 0.00 -1.51 0.00 0.00 72.50 68.50 2knx s THR 17 CO 0.00 0.00 1.74 1.41 -2.21 0.00 0.00 174.62 175.56 2knx n HIS 18 N -1.36 3.07 -4.66 9.09 -0.00 -1.26 -4.53 115.22 115.58 2knx n HIS 18 Ca -0.01 -2.67 -0.32 0.00 -0.00 0.00 0.00 57.72 54.71 2knx n HIS 18 Cb 0.64 -0.98 -0.12 0.00 -0.00 0.00 0.00 29.99 29.53 2knx n HIS 18 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2knx s VAL 19 N -4.82 3.23 0.17 1.59 0.11 -1.26 -5.02 120.40 114.40 2knx s VAL 19 Ca 0.47 -0.86 0.08 0.00 -2.93 0.00 0.00 61.98 58.74 2knx s VAL 19 Cb 0.33 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.79 2knx s VAL 19 CO -0.26 0.45 -0.05 0.00 -3.33 0.00 0.00 175.10 171.90 2knx s VAL 21 N -1.67 -0.04 0.45 0.00 0.11 0.21 -4.94 120.40 114.52 2knx s VAL 21 Ca 0.26 0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 59.22 2knx s VAL 21 Cb -0.09 -0.31 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 2knx s VAL 21 CO 0.16 0.06 1.12 -2.16 -3.33 0.00 0.00 175.10 170.95 2knx s PRO 22 N 1.09 3.85 0.36 1.54 0.04 -1.23 0.70 135.00 141.36 2knx s PRO 22 Ca -0.08 1.65 0.15 0.00 0.04 0.00 0.00 61.00 62.76 2knx s PRO 22 Cb -0.10 -2.39 1.04 0.00 0.04 0.00 0.00 34.50 33.09 2knx s PRO 22 CO -0.06 -0.44 1.74 1.49 0.04 0.00 0.00 177.00 179.76 2knx h GLU 23 N 2.08 0.43 -0.10 4.56 4.81 -0.94 0.88 114.58 126.29 2knx h GLU 23 Ca -0.49 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2knx h GLU 23 Cb 1.24 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2knx h GLU 23 CO 0.60 0.29 0.09 -0.09 -0.73 0.00 0.00 179.01 179.17 2knx h ARG 24 N 0.44 0.00 0.00 1.92 2.43 -1.91 -0.90 114.38 116.37 2knx h ARG 24 Ca 0.64 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 2knx h ARG 24 Cb 1.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2knx h ARG 24 CO -0.40 0.00 -1.60 0.91 -1.51 0.00 0.00 179.97 177.37 2knx n TRP 25 N -4.18 0.38 -1.68 2.20 7.02 0.29 -4.75 117.44 116.72 2knx n TRP 25 Ca -0.00 0.11 -0.49 0.00 -1.02 0.00 0.00 57.50 56.10 2knx n TRP 25 Cb 0.20 -0.68 -0.05 0.00 -2.42 0.00 0.00 31.31 28.36 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 -2.42 3.12 -4.04 -0.99 7.99 -0.14 -2.48 117.00 118.05 2knx n LEU 26 Ca -0.02 1.02 -0.38 0.00 -0.01 0.00 0.00 56.01 56.61 2knx n LEU 26 Cb 0.56 -1.34 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 2knx n LEU 26 CO 0.44 -0.22 -0.18 0.00 -1.51 0.00 0.00 177.39 175.92 2knx n ASP 28 N -1.76 0.90 0.00 0.00 5.75 -1.04 -4.97 116.55 115.42 2knx n ASP 28 Ca -0.12 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2knx n ASP 28 Cb 0.49 0.94 0.00 0.00 -1.03 0.00 0.00 41.12 41.52 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 1.37 1.32 3.52 6.12 0.00 -1.26 -5.08 105.19 111.18 2knx n GLY 29 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.49 5.47 -0.97 1.61 2.15 -1.26 -5.00 116.67 117.18 2knx s ASP 30 Ca 0.00 -0.10 -0.27 0.00 0.43 0.00 0.00 52.55 52.62 2knx s ASP 30 Cb 0.00 -1.98 -0.20 0.00 -0.30 0.00 0.00 42.92 40.44 2knx s ASP 30 CO 0.00 0.00 2.24 -0.54 -0.17 0.00 0.00 175.17 176.70 2knx s LYS 31 N 1.42 1.29 0.12 4.34 1.02 -1.26 -4.65 119.74 122.02 2knx s LYS 31 Ca 0.06 -0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.06 2knx s LYS 31 Cb -0.15 -4.89 -0.19 0.00 -0.52 0.00 0.00 37.83 32.08 2knx s LYS 31 CO 0.05 -5.16 1.29 -0.44 -0.92 0.00 0.00 175.35 170.16 2knx h ASP 32 N 12.09 0.03 -4.25 2.83 3.32 -1.93 -3.45 116.42 125.06 2knx h ASP 32 Ca 0.00 -0.03 -0.49 0.00 0.02 0.00 0.00 57.03 56.53 2knx h ASP 32 Cb 1.00 -0.01 0.06 0.00 0.22 0.00 0.00 39.33 40.60 2knx h ASP 32 CO 1.00 1.01 0.38 0.00 -1.72 0.00 0.00 179.24 179.91 2knx h ALA 34 N 0.22 1.94 0.00 0.00 0.00 -1.95 -2.21 119.26 117.27 2knx h ALA 34 Ca -0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2knx h ALA 34 Cb 1.20 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2knx h ALA 34 CO 0.59 -0.09 -0.55 -0.25 0.00 0.00 0.00 179.25 178.95 2knx n ASP 35 N -4.48 1.60 -1.77 0.00 9.92 -1.26 -4.95 116.55 115.61 2knx n ASP 35 Ca 0.11 -3.45 -0.19 0.00 -0.53 0.00 0.00 54.79 50.74 2knx n ASP 35 Cb 0.37 -0.47 -0.06 0.00 -0.64 0.00 0.00 41.12 40.32 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 -0.83 1.18 0.31 0.44 0.00 -0.83 -4.84 105.19 100.61 2knx n GLY 36 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 0.42 1.27 -0.05 4.61 0.00 -1.93 0.42 119.26 124.00 2knx h ALA 37 Ca -0.40 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2knx h ALA 37 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2knx h ALA 37 CO 0.55 -0.11 0.12 0.38 0.00 0.00 0.00 179.25 180.20 2knx h ASP 38 N 0.60 0.00 -0.33 0.00 3.04 -1.93 0.32 116.42 118.13 2knx h ASP 38 Ca 0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.25 2knx h ASP 38 Cb 0.67 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2knx h ASP 38 CO -0.37 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.21 2knx n GLU 39 N -3.38 1.90 -1.18 4.15 -0.58 0.15 0.09 120.64 121.79 2knx n GLU 39 Ca -0.01 -1.25 0.00 0.00 -0.42 0.00 0.00 57.16 55.47 2knx n GLU 39 Cb 0.20 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.48 0.99 0.20 1.62 7.64 0.11 -4.93 113.62 119.72 2knx n SER 40 Ca 0.12 -0.59 0.08 0.00 1.01 0.00 0.00 58.87 59.49 2knx n SER 40 Cb 0.33 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.59 0.53 -1.02 0.44 5.03 -1.91 -3.23 117.51 117.95 2knx h ILE 41 Ca 0.00 -1.46 0.27 0.00 -0.12 0.00 0.00 64.86 63.55 2knx h ILE 41 Cb 0.00 2.03 -0.07 0.00 -3.03 0.00 0.00 36.82 35.76 2knx h ILE 41 CO 0.00 0.26 0.69 0.00 -0.68 0.00 0.00 178.15 178.43 2knx h ALA 42 N 1.73 2.56 0.00 1.87 0.00 -1.95 0.59 119.26 124.06 2knx h ALA 42 Ca -0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2knx h ALA 42 Cb 1.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2knx h ALA 42 CO 0.03 -0.90 -0.74 0.00 0.00 0.00 0.00 179.25 177.64 2knx h ALA 43 N 1.56 0.68 0.00 0.00 0.00 -1.63 -3.48 119.26 116.39 2knx h ALA 43 Ca 0.53 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2knx h ALA 43 Cb 1.66 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2knx h ALA 43 CO -0.15 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2knx n GLY 44 N 1.25 1.65 0.07 0.00 0.00 0.20 -5.04 105.19 103.33 2knx n GLY 44 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.66 -6.23 -1.42 0.00 4.32 -1.26 -4.97 117.00 102.77 2knx n LEU 46 Ca -0.07 0.16 -0.01 0.00 -0.02 0.00 0.00 56.01 56.06 2knx n LEU 46 Cb 0.35 -2.92 0.02 0.00 -1.62 0.00 0.00 43.42 39.25 2knx n LEU 46 CO 0.25 -1.45 0.27 0.00 -1.22 0.00 0.00 177.39 175.25 2knx n TYR 47 N -0.78 -0.40 -3.64 -1.77 4.11 -1.26 -5.11 117.16 108.31 2knx n TYR 47 Ca 0.02 -0.38 -0.07 0.00 -0.00 0.00 0.00 57.90 57.46 2knx n TYR 47 Cb 0.53 0.66 -0.07 0.00 -0.00 0.00 0.00 39.34 40.47 2knx n TYR 47 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2knx s ASN 48 N -0.32 -0.52 -0.10 9.48 -0.87 -1.26 -4.93 114.94 116.42 2knx s ASN 48 Ca 0.02 0.93 0.00 0.00 -1.57 0.00 0.00 52.86 52.24 2knx s ASN 48 Cb 0.09 1.04 0.00 0.00 -0.02 0.00 0.00 41.25 42.36 2knx s ASN 48 CO -0.02 -0.16 0.00 -1.20 -2.57 0.00 0.00 177.10 173.15 2knx n SER 49 N 2.81 -4.63 0.00 -1.22 7.64 -1.26 -4.90 113.62 112.06 2knx n SER 49 Ca -0.15 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2knx n SER 49 Cb 0.57 -2.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.55 2knx n SER 49 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38