#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 -7.61 -4.69 1.61 7.64 -1.26 -4.95 113.62 104.37 2knx n SER 2 Ca 0.00 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.61 2knx n SER 2 Cb 0.00 -5.16 -0.03 0.00 -1.01 0.00 0.00 64.21 58.01 2knx n SER 2 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2knx s GLU 3 N -2.83 4.40 -1.70 1.43 2.56 -1.26 -3.60 118.70 117.70 2knx s GLU 3 Ca 0.09 1.26 0.00 0.00 0.00 0.00 0.00 54.97 56.32 2knx s GLU 3 Cb -0.02 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.57 2knx s GLU 3 CO 0.72 -0.28 0.00 0.41 -0.56 0.00 0.00 175.26 175.56 2knx n GLY 4 N 3.17 -0.23 0.00 -1.50 0.00 -1.26 -4.92 105.19 100.45 2knx n GLY 4 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.90 0.00 -1.79 1.61 4.76 -1.24 -4.40 118.16 114.20 2knx n LYS 5 Ca -0.23 0.24 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 2knx n LYS 5 Cb 0.67 -0.71 -0.03 0.00 -1.84 0.00 0.00 35.03 33.12 2knx n LYS 5 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2knx s THR 6 N -0.54 2.40 -0.85 -0.18 -4.23 -1.26 -3.31 115.64 107.67 2knx s THR 6 Ca 0.00 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 2knx s THR 6 Cb 0.00 -3.11 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 2knx s THR 6 CO 0.00 0.01 0.70 0.00 -0.54 0.00 0.00 174.62 174.79 2knx n GLY 8 N -1.69 -1.59 0.33 0.00 0.00 -1.21 -4.77 105.19 96.25 2knx n GLY 8 Ca -0.12 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 0.93 -2.35 1.61 0.13 -1.93 -3.08 132.00 127.31 2knx h PRO 9 Ca 0.00 -0.06 -0.66 0.00 -0.87 0.00 0.00 66.00 64.42 2knx h PRO 9 Cb 0.00 -0.21 -0.38 0.00 0.13 0.00 0.00 31.00 30.54 2knx h PRO 9 CO 0.00 0.62 -0.17 -1.13 -0.23 0.00 0.00 178.00 177.08 2knx n SER 10 N -4.63 4.87 -4.67 1.44 3.41 -1.26 -5.05 113.62 107.73 2knx n SER 10 Ca 0.14 -3.54 -0.42 0.00 -0.26 0.00 0.00 58.87 54.78 2knx n SER 10 Cb 0.22 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.33 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 -2.52 7.06 -0.01 4.04 1.04 -1.17 -0.67 113.70 121.47 2knx s SER 11 Ca 0.41 1.31 -0.06 0.00 0.48 0.00 0.00 55.95 58.09 2knx s SER 11 Cb 0.17 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.74 2knx s SER 11 CO -0.04 -0.53 0.24 0.12 0.98 0.00 0.00 173.24 174.01 2knx s PHE 12 N 2.64 3.58 -0.16 5.02 5.36 0.78 -4.75 117.98 130.44 2knx s PHE 12 Ca 0.42 0.54 -0.06 0.00 -0.96 0.00 0.00 56.93 56.86 2knx s PHE 12 Cb -0.16 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 2knx s PHE 12 CO 0.10 0.63 0.05 0.45 -1.46 0.00 0.00 175.22 175.00 2knx s SER 13 N -1.67 5.60 0.08 6.13 0.15 -1.26 0.10 113.70 122.83 2knx s SER 13 Ca 0.26 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.72 2knx s SER 13 Cb -0.13 -1.89 -0.06 0.00 -1.71 0.00 0.00 66.02 62.23 2knx s SER 13 CO 0.15 0.23 1.16 0.00 1.20 0.00 0.00 173.24 175.98 2knx s PRO 15 N 0.79 1.17 -2.09 0.00 0.04 -1.26 -2.94 135.00 130.71 2knx s PRO 15 Ca 0.56 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2knx s PRO 15 Cb -0.29 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2knx s PRO 15 CO 0.30 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.22 2knx n GLY 16 N 0.32 1.50 3.57 0.56 0.00 -1.26 -4.85 105.19 105.04 2knx n GLY 16 Ca 0.12 -0.03 0.03 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 -2.81 0.00 -0.79 2.61 -1.32 -1.15 -5.06 115.64 107.12 2knx s THR 17 Ca 0.00 -0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.47 2knx s THR 17 Cb 0.00 -1.89 0.33 0.00 -1.51 0.00 0.00 72.50 69.43 2knx s THR 17 CO 0.00 0.00 1.40 0.00 -2.21 0.00 0.00 174.62 173.81 2knx n HIS 18 N -0.45 3.40 -4.04 9.09 1.44 -1.26 -4.41 115.22 119.00 2knx n HIS 18 Ca -0.08 -3.23 -0.35 0.00 -2.01 0.00 0.00 57.72 52.04 2knx n HIS 18 Cb 0.63 -0.83 -0.13 0.00 0.12 0.00 0.00 29.99 29.78 2knx n HIS 18 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2knx s VAL 19 N -4.48 3.64 0.52 0.61 -7.23 -1.26 -4.96 120.40 107.24 2knx s VAL 19 Ca 0.44 -0.41 -0.06 0.00 -1.81 0.00 0.00 61.98 60.15 2knx s VAL 19 Cb 0.25 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 2knx s VAL 19 CO -0.15 0.43 0.83 0.00 -0.31 0.00 0.00 175.10 175.90 2knx s VAL 21 N -2.84 -0.94 0.46 0.00 0.11 0.28 -4.80 120.40 112.67 2knx s VAL 21 Ca 0.50 -0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.31 2knx s VAL 21 Cb -0.10 -0.96 -0.09 0.00 -1.53 0.00 0.00 36.38 33.69 2knx s VAL 21 CO 0.45 -0.01 1.08 -2.65 -3.33 0.00 0.00 175.10 170.64 2knx n PRO 22 N 5.42 1.43 -0.30 1.54 -0.02 -1.26 -0.15 135.00 141.65 2knx n PRO 22 Ca -0.03 0.52 0.30 0.00 -2.02 0.00 0.00 63.50 62.26 2knx n PRO 22 Cb 0.50 -2.18 0.67 0.00 -0.02 0.00 0.00 33.50 32.48 2knx n PRO 22 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2knx h GLU 23 N 1.47 0.12 -0.10 -0.52 4.22 -1.28 0.88 114.58 119.37 2knx h GLU 23 Ca -0.46 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 58.96 2knx h GLU 23 Cb 1.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2knx h GLU 23 CO 0.56 0.08 -0.00 -0.09 -2.18 0.00 0.00 179.01 177.38 2knx h ARG 24 N 0.13 0.13 0.00 1.92 9.65 -1.88 -1.38 114.38 122.95 2knx h ARG 24 Ca 0.55 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.42 2knx h ARG 24 Cb 1.94 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.49 2knx h ARG 24 CO -0.10 0.15 -0.95 -1.49 2.80 0.00 0.00 179.97 180.38 2knx h TRP 25 N 0.14 0.00 -2.26 2.20 4.06 0.43 -3.43 115.95 117.08 2knx h TRP 25 Ca 0.03 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.43 2knx h TRP 25 Cb 0.10 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.28 2knx h TRP 25 CO 0.00 0.00 1.22 1.28 -3.56 0.00 0.00 178.44 177.38 2knx n LEU 26 N -2.61 3.98 -3.70 -4.49 7.99 -0.52 -2.23 117.00 115.42 2knx n LEU 26 Ca 0.00 0.89 -0.22 0.00 -0.01 0.00 0.00 56.01 56.67 2knx n LEU 26 Cb 0.54 -1.49 0.03 0.00 -0.11 0.00 0.00 43.42 42.38 2knx n LEU 26 CO 0.40 0.11 -0.08 0.00 -1.51 0.00 0.00 177.39 176.31 2knx n ASP 28 N -3.04 0.89 0.00 0.00 5.75 -0.95 -4.99 116.55 114.22 2knx n ASP 28 Ca -0.29 -0.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 2knx n ASP 28 Cb 0.67 1.25 0.00 0.00 -1.03 0.00 0.00 41.12 42.01 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 1.44 1.09 3.38 6.12 0.00 -1.26 -5.06 105.19 110.89 2knx n GLY 29 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.36 6.26 -0.83 1.61 2.15 -1.26 -4.98 116.67 118.26 2knx s ASP 30 Ca 0.00 -1.57 -0.24 0.00 0.43 0.00 0.00 52.55 51.17 2knx s ASP 30 Cb 0.00 -2.30 -0.17 0.00 -0.30 0.00 0.00 42.92 40.14 2knx s ASP 30 CO 0.00 -1.08 2.34 0.29 -0.17 0.00 0.00 175.17 176.55 2knx n LYS 31 N 6.20 0.44 0.09 4.34 5.02 -1.26 -4.70 118.16 128.29 2knx n LYS 31 Ca -0.05 -0.83 -0.08 0.00 -2.02 0.00 0.00 58.31 55.33 2knx n LYS 31 Cb 0.43 -3.38 -0.02 0.00 -0.02 0.00 0.00 35.03 32.04 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 12.35 0.21 -3.79 4.39 3.32 -1.93 -3.45 116.42 127.52 2knx h ASP 32 Ca 0.00 -0.18 -0.48 0.00 0.02 0.00 0.00 57.03 56.39 2knx h ASP 32 Cb 1.02 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2knx h ASP 32 CO 1.07 1.01 0.28 0.00 -1.72 0.00 0.00 179.24 179.88 2knx h ALA 34 N 3.28 2.25 -0.21 0.00 0.00 -1.88 0.17 119.26 122.88 2knx h ALA 34 Ca -0.47 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2knx h ALA 34 Cb 1.19 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2knx h ALA 34 CO 0.65 -0.75 -0.24 -0.25 0.00 0.00 0.00 179.25 178.66 2knx n ASP 35 N -4.73 2.20 -2.63 0.00 8.00 -1.26 -4.95 116.55 113.18 2knx n ASP 35 Ca 0.29 -3.79 -0.16 0.00 0.71 0.00 0.00 54.79 51.84 2knx n ASP 35 Cb 1.00 -0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.12 -0.50 0.19 0.44 0.00 0.59 -4.85 105.19 99.94 2knx n GLY 36 Ca 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 1.00 0.53 -0.32 4.61 0.00 -1.93 -0.01 119.26 123.14 2knx h ALA 37 Ca -0.36 0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.72 2knx h ALA 37 Cb 1.26 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2knx h ALA 37 CO 0.42 -0.27 0.27 0.38 0.00 0.00 0.00 179.25 180.05 2knx h ASP 38 N 0.29 0.00 -0.57 0.00 3.04 -1.91 0.37 116.42 117.63 2knx h ASP 38 Ca 0.22 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.01 2knx h ASP 38 Cb 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 2knx h ASP 38 CO -0.25 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.33 2knx n GLU 39 N -4.14 2.59 -4.53 4.15 1.02 -0.06 -0.94 120.64 118.73 2knx n GLU 39 Ca 0.05 -2.17 -0.26 0.00 -0.02 0.00 0.00 57.16 54.76 2knx n GLU 39 Cb 0.43 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 2knx n GLU 39 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2knx s SER 40 N -0.95 2.86 0.65 1.62 0.01 0.13 -4.88 113.70 113.14 2knx s SER 40 Ca 0.40 -1.67 0.42 0.00 1.31 0.00 0.00 55.95 56.40 2knx s SER 40 Cb 0.22 0.51 2.27 0.00 0.21 0.00 0.00 66.02 69.22 2knx s SER 40 CO 0.25 -0.93 2.33 0.40 0.41 0.00 0.00 173.24 175.70 2knx h ILE 41 N 1.77 0.08 -0.63 1.44 1.08 -1.80 -2.14 117.51 117.30 2knx h ILE 41 Ca -0.36 -0.05 0.16 0.00 -0.39 0.00 0.00 64.86 64.21 2knx h ILE 41 Cb 1.27 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 36.04 2knx h ILE 41 CO 0.57 0.00 0.44 0.00 -0.69 0.00 0.00 178.15 178.48 2knx h ALA 42 N 2.00 2.36 0.00 1.87 0.00 -1.94 0.15 119.26 123.69 2knx h ALA 42 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2knx h ALA 42 Cb 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2knx h ALA 42 CO 0.00 -0.53 -0.87 0.00 0.00 0.00 0.00 179.25 177.85 2knx h ALA 43 N 1.69 0.59 0.00 0.00 0.00 -1.25 -3.48 119.26 116.81 2knx h ALA 43 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2knx h ALA 43 Cb 0.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2knx h ALA 43 CO -0.05 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2knx n GLY 44 N 1.18 1.90 2.81 0.00 0.00 0.51 -5.04 105.19 106.55 2knx n GLY 44 Ca -0.00 0.00 -0.42 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 h LEU 46 N 5.66 0.33 -9.23 0.00 4.07 -1.90 -3.41 115.31 110.82 2knx h LEU 46 Ca 0.39 -0.88 -0.65 0.00 0.08 0.00 0.00 57.88 56.83 2knx h LEU 46 Cb 0.50 -0.11 0.02 0.00 1.08 0.00 0.00 40.66 42.15 2knx h LEU 46 CO 1.38 1.45 1.06 0.00 -1.08 0.00 0.00 178.44 181.25 2knx n TYR 47 N -4.13 2.26 0.00 1.13 4.11 -1.26 -4.73 117.16 114.54 2knx n TYR 47 Ca -0.20 0.13 0.00 0.00 -0.00 0.00 0.00 57.90 57.83 2knx n TYR 47 Cb 0.80 -2.62 0.00 0.00 -0.00 0.00 0.00 39.34 37.52 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 6.41 0.00 -2.76 9.48 2.85 -1.26 -5.13 115.26 124.85 2knx n ASN 48 Ca 0.24 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.67 2knx n ASN 48 Cb 0.25 0.06 -0.03 0.00 1.24 0.00 0.00 39.78 41.30 2knx n ASN 48 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2knx n SER 49 N -1.50 -2.85 0.00 1.20 7.64 -1.26 -5.32 113.62 111.53 2knx n SER 49 Ca 0.00 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2knx n SER 49 Cb 0.00 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 2knx n SER 49 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44