#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 0.96 -2.53 1.61 2.88 -1.26 -4.74 113.62 110.53 2knx n SER 2 Ca 0.00 -0.45 -0.03 0.00 -1.33 0.00 0.00 58.87 57.06 2knx n SER 2 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 0.00 -1.02 -2.41 -1.46 2.13 -1.26 -4.30 120.64 112.32 2knx n GLU 3 Ca 0.00 0.96 -0.05 0.00 0.66 0.00 0.00 57.16 58.73 2knx n GLU 3 Cb 0.00 -4.23 0.03 0.00 0.27 0.00 0.00 31.44 27.51 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 -1.44 0.22 0.03 8.31 0.00 -1.26 -4.98 105.19 106.07 2knx n GLY 4 Ca -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.88 2.20 0.00 1.61 5.02 -1.26 -4.43 118.16 119.43 2knx n LYS 5 Ca -0.08 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2knx n LYS 5 Cb 0.55 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2knx n THR 6 N -2.22 0.00 -2.50 -0.18 -2.24 -1.26 -4.51 114.28 101.37 2knx n THR 6 Ca -0.11 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 2knx n THR 6 Cb 0.67 -0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.41 -2.90 0.40 0.00 0.00 -1.26 -4.69 105.19 96.33 2knx n GLY 8 Ca 0.40 -1.15 0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.90 0.00 -2.17 1.61 0.13 -1.98 -1.97 132.00 124.72 2knx h PRO 9 Ca -0.40 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.13 2knx h PRO 9 Cb 1.14 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.85 2knx h PRO 9 CO 0.27 0.00 -0.57 0.43 -0.23 0.00 0.00 178.00 177.90 2knx n SER 10 N -3.60 4.67 -4.39 1.44 7.64 -1.26 -5.04 113.62 113.08 2knx n SER 10 Ca 0.08 -3.70 -0.31 0.00 1.01 0.00 0.00 58.87 55.96 2knx n SER 10 Cb 0.69 -0.57 -0.14 0.00 -1.01 0.00 0.00 64.21 63.17 2knx n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2knx s SER 11 N -3.38 3.43 0.23 6.43 0.01 -0.74 -2.15 113.70 117.52 2knx s SER 11 Ca 0.48 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 57.21 2knx s SER 11 Cb 0.30 -0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.01 2knx s SER 11 CO -0.15 0.28 0.50 0.12 0.41 0.00 0.00 173.24 174.41 2knx s PHE 12 N -0.79 3.46 -0.17 2.43 5.36 0.28 -4.82 117.98 123.73 2knx s PHE 12 Ca 0.12 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.77 2knx s PHE 12 Cb -0.10 -2.12 -0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2knx s PHE 12 CO 0.02 0.27 -0.13 0.45 -1.46 0.00 0.00 175.22 174.38 2knx s SER 13 N -2.73 3.79 0.42 6.13 0.15 -1.26 0.82 113.70 121.03 2knx s SER 13 Ca 0.44 -0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.39 2knx s SER 13 Cb -0.11 -1.60 -0.08 0.00 -1.71 0.00 0.00 66.02 62.52 2knx s SER 13 CO 0.26 0.06 1.20 0.00 1.20 0.00 0.00 173.24 175.95 2knx s PRO 15 N -2.43 3.93 -1.38 0.00 0.04 -1.26 -3.70 135.00 130.20 2knx s PRO 15 Ca 0.59 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 2knx s PRO 15 Cb -0.32 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2knx s PRO 15 CO 0.39 -0.35 1.01 0.41 0.04 0.00 0.00 177.00 178.50 2knx n GLY 16 N 0.21 -0.50 3.56 0.56 0.00 -1.26 -4.95 105.19 102.80 2knx n GLY 16 Ca 0.07 0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.27 0.00 -0.42 2.61 -1.32 -1.24 -5.03 115.64 106.96 2knx s THR 17 Ca 0.50 -0.01 0.04 0.00 -1.21 0.00 0.00 61.69 61.02 2knx s THR 17 Cb -0.22 -1.97 0.49 0.00 -1.51 0.00 0.00 72.50 69.30 2knx s THR 17 CO 0.62 0.00 1.61 0.00 -2.21 0.00 0.00 174.62 174.63 2knx n HIS 18 N -0.48 2.43 -3.72 9.09 1.44 -1.26 -4.65 115.22 118.06 2knx n HIS 18 Ca -0.09 -2.25 -0.36 0.00 -2.01 0.00 0.00 57.72 53.00 2knx n HIS 18 Cb 0.64 -0.79 -0.09 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 -4.13 5.26 0.32 0.61 0.11 -1.26 -5.00 120.40 116.30 2knx s VAL 19 Ca 0.54 0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.80 2knx s VAL 19 Cb 0.45 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.84 2knx s VAL 19 CO 0.02 0.38 0.31 0.00 -3.33 0.00 0.00 175.10 172.47 2knx s VAL 21 N -2.25 -0.60 0.60 0.00 0.11 0.24 -4.89 120.40 113.62 2knx s VAL 21 Ca 0.40 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.33 2knx s VAL 21 Cb -0.07 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2knx s VAL 21 CO 0.27 0.03 1.21 -2.65 -3.33 0.00 0.00 175.10 170.63 2knx n PRO 22 N 5.10 1.20 -0.12 1.54 -0.02 -1.25 0.98 135.00 142.43 2knx n PRO 22 Ca -0.13 0.46 0.24 0.00 -2.02 0.00 0.00 63.50 62.05 2knx n PRO 22 Cb 0.51 -2.42 0.69 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.76 0.05 0.00 -0.52 3.07 -1.79 0.82 114.58 116.97 2knx h GLU 23 Ca -0.50 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.31 2knx h GLU 23 Cb 1.34 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.23 2knx h GLU 23 CO 0.53 0.03 -0.22 0.07 -1.40 0.00 0.00 179.01 178.03 2knx h ARG 24 N 0.05 0.00 -0.69 2.33 -0.00 -1.89 -2.19 114.38 111.99 2knx h ARG 24 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.35 2knx h ARG 24 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.36 2knx h ARG 24 CO -0.02 0.22 0.00 0.91 -0.00 0.00 0.00 179.97 181.08 2knx n TRP 25 N -3.53 1.27 -3.12 4.08 7.02 0.28 -4.84 117.44 118.60 2knx n TRP 25 Ca -0.01 -0.55 -0.40 0.00 -1.02 0.00 0.00 57.50 55.52 2knx n TRP 25 Cb 0.37 -0.14 -0.06 0.00 -2.42 0.00 0.00 31.31 29.06 2knx n TRP 25 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2knx s LEU 26 N -1.48 4.09 -0.76 -0.99 2.01 -0.83 -4.42 118.68 116.31 2knx s LEU 26 Ca 0.50 0.74 -0.04 0.00 0.01 0.00 0.00 54.13 55.35 2knx s LEU 26 Cb 0.30 -2.86 0.01 0.00 0.01 0.00 0.00 46.19 43.65 2knx s LEU 26 CO 0.28 -0.33 0.64 0.00 1.01 0.00 0.00 176.35 177.95 2knx n ASP 28 N -2.10 0.78 0.00 0.00 5.68 -1.26 -4.99 116.55 114.66 2knx n ASP 28 Ca -0.19 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 51.98 2knx n ASP 28 Cb 0.63 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 2knx n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2knx n GLY 29 N -0.42 3.18 3.23 6.12 0.00 -1.26 -4.98 105.19 111.06 2knx n GLY 29 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.63 5.85 -0.53 1.61 2.15 -1.26 -5.02 116.67 118.84 2knx s ASP 30 Ca 0.00 -2.00 -0.26 0.00 0.43 0.00 0.00 52.55 50.72 2knx s ASP 30 Cb 0.00 -2.06 -0.08 0.00 -0.30 0.00 0.00 42.92 40.48 2knx s ASP 30 CO 0.00 -0.70 2.43 0.29 -0.17 0.00 0.00 175.17 177.02 2knx n LYS 31 N 4.83 0.96 -0.00 4.34 5.02 -1.26 -4.75 118.16 127.30 2knx n LYS 31 Ca -0.07 -0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 2knx n LYS 31 Cb 0.41 -3.39 -0.14 0.00 -0.02 0.00 0.00 35.03 31.89 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 18.92 0.01 -3.84 4.39 5.19 -1.95 -3.47 116.42 135.67 2knx h ASP 32 Ca -0.22 -0.02 -0.45 0.00 -0.62 0.00 0.00 57.03 55.73 2knx h ASP 32 Cb 1.25 -0.00 0.16 0.00 0.18 0.00 0.00 39.33 40.92 2knx h ASP 32 CO 1.16 1.02 0.19 0.00 -3.12 0.00 0.00 179.24 178.49 2knx h ALA 34 N -1.99 0.40 -0.01 0.00 0.00 -1.92 -3.24 119.26 112.50 2knx h ALA 34 Ca -0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2knx h ALA 34 Cb 1.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2knx h ALA 34 CO 0.54 0.09 -0.47 -0.25 0.00 0.00 0.00 179.25 179.17 2knx n ASP 35 N -4.63 1.76 -1.95 0.00 8.00 -1.26 -4.94 116.55 113.53 2knx n ASP 35 Ca -0.02 -3.87 -0.16 0.00 0.71 0.00 0.00 54.79 51.45 2knx n ASP 35 Cb 0.21 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.13 -0.28 0.34 0.44 0.00 -1.23 -4.89 105.19 98.45 2knx n GLY 36 Ca 0.19 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 0.76 1.65 0.00 4.61 0.00 -1.92 -0.38 119.26 123.98 2knx h ALA 37 Ca -0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2knx h ALA 37 Cb 1.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2knx h ALA 37 CO 0.44 0.27 -0.12 0.38 0.00 0.00 0.00 179.25 180.23 2knx h ASP 38 N 0.77 0.00 -0.41 0.00 3.04 -1.94 -0.83 116.42 117.06 2knx h ASP 38 Ca 0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.06 2knx h ASP 38 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 2knx h ASP 38 CO -0.08 0.12 0.00 -0.62 -2.04 0.00 0.00 179.24 176.62 2knx n GLU 39 N -4.10 2.92 -2.48 4.15 1.02 -0.16 -2.15 120.64 119.84 2knx n GLU 39 Ca -0.02 -1.89 -0.05 0.00 -0.02 0.00 0.00 57.16 55.18 2knx n GLU 39 Cb 0.20 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 2knx n GLU 39 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2knx n SER 40 N 0.60 1.02 0.21 1.62 7.64 -0.32 -4.91 113.62 119.48 2knx n SER 40 Ca 0.17 -1.44 0.08 0.00 1.01 0.00 0.00 58.87 58.69 2knx n SER 40 Cb 0.67 0.21 0.46 0.00 -1.01 0.00 0.00 64.21 64.54 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 1.13 0.75 -0.83 0.44 1.08 -1.78 -2.98 117.51 115.33 2knx h ILE 41 Ca -0.06 -1.16 0.24 0.00 -0.39 0.00 0.00 64.86 63.49 2knx h ILE 41 Cb 0.24 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 2knx h ILE 41 CO 0.10 0.27 0.60 0.00 -0.69 0.00 0.00 178.15 178.43 2knx h ALA 42 N 1.73 2.79 0.00 1.87 0.00 -1.91 0.36 119.26 124.10 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 0.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2knx h ALA 42 CO 0.04 -1.03 -1.23 0.00 0.00 0.00 0.00 179.25 177.02 2knx n ALA 43 N -2.70 2.64 0.00 0.00 0.00 -1.13 -4.95 120.51 114.37 2knx n ALA 43 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2knx n ALA 43 Cb 0.90 -1.02 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 1.21 1.49 3.60 0.00 0.00 0.13 -5.07 105.19 106.54 2knx n GLY 44 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 5.50 4.83 0.00 0.00 4.32 -1.26 -3.99 117.00 126.39 2knx n LEU 46 Ca -0.06 -5.40 0.00 0.00 -0.02 0.00 0.00 56.01 50.53 2knx n LEU 46 Cb 0.50 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 2knx n LEU 46 CO 0.40 1.97 0.00 0.00 -1.22 0.00 0.00 177.39 178.54 2knx n TYR 47 N 0.85 0.00 -2.05 -1.77 4.11 -1.26 -5.15 117.16 111.89 2knx n TYR 47 Ca 0.30 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.79 2knx n TYR 47 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.70 2knx n TYR 47 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2knx s ASN 48 N 0.00 6.59 0.17 9.48 2.47 -1.26 -4.90 114.94 127.49 2knx s ASN 48 Ca 0.00 2.73 0.00 0.00 0.42 0.00 0.00 52.86 56.01 2knx s ASN 48 Cb 0.00 -2.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 2knx s ASN 48 CO 0.00 -0.67 0.00 -1.54 -3.72 0.00 0.00 177.10 171.17 2knx n SER 49 N 0.57 -0.26 0.00 -4.21 3.41 -1.26 -5.23 113.62 106.64 2knx n SER 49 Ca 0.01 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2knx n SER 49 Cb 0.42 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2knx n SER 49 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95