#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s GLY 2 N 0.00 3.01 0.12 3.41 0.00 -1.26 -4.91 107.32 107.69 1yhq s GLY 2 Ca 0.00 1.23 0.23 0.00 0.00 0.00 0.00 44.72 46.18 1yhq s GLY 2 CO 0.00 1.87 1.71 0.00 0.00 0.00 0.00 173.10 176.68 1yhq n ALA 3 N 0.81 1.97 -1.26 3.20 0.00 -1.26 -3.09 120.51 120.88 1yhq n ALA 3 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yhq n ALA 3 Cb 0.42 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1yhq n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 4 N 0.66 0.77 0.28 0.00 0.00 -1.26 -4.48 105.19 101.17 1yhq n GLY 4 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1yhq n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yhq h THR 5 N 0.00 0.24 -0.36 2.61 2.02 -2.01 -0.33 112.91 115.08 1yhq h THR 5 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1yhq h THR 5 Cb 0.00 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1yhq h THR 5 CO 0.00 0.00 0.24 1.55 0.37 0.00 0.00 175.52 177.68 1yhq h PRO 6 N -0.01 0.29 -0.00 6.66 0.13 -1.90 -1.17 132.00 136.00 1yhq h PRO 6 Ca 0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1yhq h PRO 6 Cb 0.55 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1yhq h PRO 6 CO -0.77 0.19 -0.03 0.43 -0.23 0.00 0.00 178.00 177.59 1yhq n SER 7 N -4.48 0.32 0.17 1.44 7.64 -0.15 -3.39 113.62 115.17 1yhq n SER 7 Ca 0.04 -0.81 0.12 0.00 1.01 0.00 0.00 58.87 59.23 1yhq n SER 7 Cb 0.21 -0.07 0.10 0.00 -1.01 0.00 0.00 64.21 63.43 1yhq n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1yhq h GLN 8 N 0.46 0.00 0.00 1.43 1.08 -0.98 -3.35 115.11 113.76 1yhq h GLN 8 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1yhq h GLN 8 Cb 0.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1yhq h GLN 8 CO 0.00 0.01 -0.05 0.78 -0.95 0.00 0.00 178.83 178.61 1yhq h GLY 9 N 3.99 0.00 0.06 3.46 0.00 -1.64 -2.61 103.07 106.34 1yhq h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yhq h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1yhq n LYS 10 N -4.04 1.35 -2.68 4.80 5.02 -1.26 -4.71 118.16 116.64 1yhq n LYS 10 Ca -0.03 -0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 55.31 1yhq n LYS 10 Cb 0.14 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1yhq n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yhq s LYS 11 N -1.95 3.94 -0.14 1.97 1.02 -0.98 -4.58 119.74 119.02 1yhq s LYS 11 Ca 0.36 -2.01 0.18 0.00 0.02 0.00 0.00 55.97 54.52 1yhq s LYS 11 Cb 0.18 -5.37 0.44 0.00 -0.52 0.00 0.00 37.83 32.56 1yhq s LYS 11 CO 0.30 -2.11 1.19 0.27 -0.92 0.00 0.00 175.35 174.07 1yhq n ASN 12 N 7.70 1.70 -4.73 2.83 6.94 -1.26 -5.05 115.26 123.39 1yhq n ASN 12 Ca 0.43 -2.94 -0.35 0.00 -0.02 0.00 0.00 54.58 51.70 1yhq n ASN 12 Cb 0.46 -0.41 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 1yhq n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1yhq s THR 13 N -2.09 4.84 -0.21 5.53 2.01 -1.26 -5.09 115.64 119.37 1yhq s THR 13 Ca 0.37 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 1yhq s THR 13 Cb 0.38 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1yhq s THR 13 CO -0.10 0.57 0.36 -0.89 -0.69 0.00 0.00 174.62 173.87 1yhq s THR 14 N -0.57 5.22 0.00 -0.82 2.01 -1.26 -4.95 115.64 115.27 1yhq s THR 14 Ca 0.11 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1yhq s THR 14 Cb -0.12 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1yhq s THR 14 CO 0.02 0.26 0.00 0.35 -0.69 0.00 0.00 174.62 174.57 1yhq n THR 15 N 4.35 0.00 -2.21 -0.82 -2.24 -1.26 -4.79 114.28 107.31 1yhq n THR 15 Ca -0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1yhq n THR 15 Cb 0.51 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 1yhq n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1yhq s HIS 16 N -0.08 2.98 0.22 4.78 3.76 -1.26 -0.28 115.29 125.41 1yhq s HIS 16 Ca 0.00 0.87 0.02 0.00 -0.15 0.00 0.00 55.06 55.79 1yhq s HIS 16 Cb 0.00 -3.66 -0.05 0.00 1.11 0.00 0.00 32.58 29.98 1yhq s HIS 16 CO 0.00 -2.40 0.05 0.95 -0.85 0.00 0.00 174.74 172.49 1yhq s THR 17 N 1.97 0.67 0.05 1.30 -4.23 0.29 -4.77 115.64 110.91 1yhq s THR 17 Ca 0.64 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.80 1yhq s THR 17 Cb -0.33 -2.41 -0.15 0.00 1.34 0.00 0.00 72.50 70.95 1yhq s THR 17 CO 0.28 -0.21 1.56 1.17 -0.54 0.00 0.00 174.62 176.87 1yhq n LYS 18 N -0.38 1.68 -3.17 3.99 3.00 -1.26 0.59 118.16 122.62 1yhq n LYS 18 Ca -0.03 0.61 -0.39 0.00 -0.00 0.00 0.00 58.31 58.50 1yhq n LYS 18 Cb 0.65 -2.33 -0.05 0.00 0.00 0.00 0.00 35.03 33.29 1yhq n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yhq h ARG 20 N 6.55 0.85 0.16 0.00 2.43 -1.91 -0.42 114.38 122.05 1yhq h ARG 20 Ca -0.42 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.45 1yhq h ARG 20 Cb 1.19 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1yhq h ARG 20 CO 0.74 0.56 -1.15 -0.09 -1.51 0.00 0.00 179.97 178.53 1yhq h ARG 21 N 0.88 0.35 0.00 0.20 2.43 -1.97 -3.41 114.38 112.85 1yhq h ARG 21 Ca 0.41 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1yhq h ARG 21 Cb 0.33 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1yhq h ARG 21 CO -0.23 1.28 -0.98 0.00 -1.51 0.00 0.00 179.97 178.53 1yhq n GLY 23 N 1.55 1.57 3.85 0.00 0.00 -0.17 -4.98 105.19 107.02 1yhq n GLY 23 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1yhq n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yhq s GLU 24 N -0.37 3.94 -1.45 1.61 0.41 -1.26 -4.49 118.70 117.09 1yhq s GLU 24 Ca 0.00 0.74 -0.10 0.00 -0.41 0.00 0.00 54.97 55.20 1yhq s GLU 24 Cb 0.00 -2.30 0.04 0.00 -1.78 0.00 0.00 34.13 30.09 1yhq s GLU 24 CO 0.00 -0.06 2.42 1.17 -0.49 0.00 0.00 175.26 178.30 1yhq n LYS 25 N -1.07 3.59 0.00 1.61 4.81 -1.26 0.33 118.16 126.17 1yhq n LYS 25 Ca 0.04 -2.82 0.00 0.00 -0.87 0.00 0.00 58.31 54.67 1yhq n LYS 25 Cb 0.54 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.64 1yhq n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1yhq n SER 26 N 4.08 0.53 -4.59 3.14 7.64 -0.66 -4.28 113.62 119.48 1yhq n SER 26 Ca 0.60 -1.21 -0.43 0.00 1.01 0.00 0.00 58.87 58.84 1yhq n SER 26 Cb 0.31 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 1yhq n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1yhq s TYR 27 N -0.21 2.70 -0.51 1.43 5.04 0.20 -1.28 117.35 124.73 1yhq s TYR 27 Ca 0.00 0.56 -0.28 0.00 -2.44 0.00 0.00 57.07 54.91 1yhq s TYR 27 Cb 0.00 -4.48 -0.00 0.00 0.35 0.00 0.00 41.96 37.82 1yhq s TYR 27 CO 0.00 -1.44 1.62 -1.58 -1.34 0.00 0.00 175.55 172.81 1yhq s HIS 28 N 4.73 2.02 -1.06 4.97 5.65 -0.38 0.10 115.29 131.32 1yhq s HIS 28 Ca 0.46 0.61 0.08 0.00 0.25 0.00 0.00 55.06 56.46 1yhq s HIS 28 Cb -0.07 -4.24 0.37 0.00 -1.18 0.00 0.00 32.58 27.45 1yhq s HIS 28 CO 0.29 -2.29 1.25 -2.37 -0.65 0.00 0.00 174.74 170.97 1yhq n THR 29 N 7.10 1.34 -0.05 0.89 5.66 0.61 0.21 114.28 130.05 1yhq n THR 29 Ca 0.17 0.33 -0.20 0.00 -3.05 0.00 0.00 64.05 61.31 1yhq n THR 29 Cb 0.49 -1.19 -0.13 0.00 -1.55 0.00 0.00 70.33 67.95 1yhq n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1yhq n LYS 30 N -1.47 0.72 0.08 1.09 4.76 -1.26 -4.38 118.16 117.70 1yhq n LYS 30 Ca 0.02 0.22 0.06 0.00 -2.87 0.00 0.00 58.31 55.74 1yhq n LYS 30 Cb 0.09 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.63 1yhq n LYS 30 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1yhq h LYS 31 N 0.04 0.00 -5.18 1.97 1.57 -1.80 -3.48 116.57 109.70 1yhq h LYS 31 Ca -0.49 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 57.97 1yhq h LYS 31 Cb 1.98 0.00 0.13 0.00 0.08 0.00 0.00 32.23 34.42 1yhq h LYS 31 CO 0.02 0.14 -0.61 1.63 -0.57 0.00 0.00 179.45 180.05 1yhq n LYS 32 N -2.81 -6.52 -3.79 3.15 4.76 0.58 -5.01 118.16 108.52 1yhq n LYS 32 Ca -0.04 0.72 -0.14 0.00 -2.87 0.00 0.00 58.31 55.99 1yhq n LYS 32 Cb 0.68 -5.42 -0.15 0.00 -1.84 0.00 0.00 35.03 28.30 1yhq n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1yhq s VAL 33 N -3.29 -0.04 -0.18 -0.18 1.01 -1.19 -4.50 120.40 112.03 1yhq s VAL 33 Ca 0.34 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 1yhq s VAL 33 Cb -0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1yhq s VAL 33 CO 0.63 0.06 0.70 0.00 0.00 0.00 0.00 175.10 176.49 1yhq h SER 35 N 7.38 0.00 0.00 0.00 4.64 -1.53 -1.56 113.55 122.49 1yhq h SER 35 Ca -0.31 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.71 1yhq h SER 35 Cb 1.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1yhq h SER 35 CO 0.79 0.00 -1.61 -0.24 -0.87 0.00 0.00 176.83 174.90 1yhq n SER 36 N -2.73 1.89 -0.35 4.97 2.88 -1.26 -4.67 113.62 114.35 1yhq n SER 36 Ca 0.03 0.39 0.07 0.00 -1.33 0.00 0.00 58.87 58.02 1yhq n SER 36 Cb 0.35 -0.92 0.01 0.00 -0.75 0.00 0.00 64.21 62.90 1yhq n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yhq n GLY 38 N 1.03 1.15 3.62 0.00 0.00 -0.59 -0.89 105.19 109.52 1yhq n GLY 38 Ca 0.06 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.58 1yhq n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yhq n PHE 39 N -2.00 1.82 0.00 1.61 7.35 -1.26 0.05 117.46 125.03 1yhq n PHE 39 Ca 0.00 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1yhq n PHE 39 Cb 0.00 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.41 1yhq n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yhq n GLY 40 N 2.90 2.72 0.49 7.13 0.00 -1.26 -0.24 105.19 116.93 1yhq n GLY 40 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1yhq n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yhq n LYS 41 N -2.00 0.29 -4.03 1.61 4.81 0.11 -4.85 118.16 114.08 1yhq n LYS 41 Ca 0.00 0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.43 1yhq n LYS 41 Cb 0.00 -1.02 -0.12 0.00 0.02 0.00 0.00 35.03 33.90 1yhq n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1yhq s SER 42 N -6.00 0.52 0.21 3.14 1.04 -0.69 -5.01 113.70 106.90 1yhq s SER 42 Ca -0.18 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 55.83 1yhq s SER 42 Cb 0.07 0.02 0.16 0.00 0.10 0.00 0.00 66.02 66.37 1yhq s SER 42 CO 0.24 -0.14 1.67 0.00 0.98 0.00 0.00 173.24 175.99 1yhq h ALA 43 N 5.12 0.91 -2.41 5.32 0.00 -1.97 -3.41 119.26 122.81 1yhq h ALA 43 Ca -0.31 -0.31 -0.49 0.00 0.00 0.00 0.00 54.91 53.79 1yhq h ALA 43 Cb 1.20 -0.21 0.06 0.00 0.00 0.00 0.00 17.79 18.85 1yhq h ALA 43 CO 0.44 0.64 0.39 0.15 0.00 0.00 0.00 179.25 180.88 1yhq s LYS 44 N -4.94 3.36 0.03 0.00 1.02 -1.26 -4.99 119.74 112.96 1yhq s LYS 44 Ca -0.11 1.36 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 1yhq s LYS 44 Cb 0.14 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1yhq s LYS 44 CO 0.84 -0.79 1.06 1.03 -0.92 0.00 0.00 175.35 176.56 1yhq s ARG 45 N -3.69 4.53 0.16 1.68 1.81 -1.26 -4.86 118.95 117.31 1yhq s ARG 45 Ca 0.67 1.55 -0.33 0.00 -1.72 0.00 0.00 55.73 55.90 1yhq s ARG 45 Cb -0.18 -3.41 -0.13 0.00 -0.45 0.00 0.00 34.95 30.77 1yhq s ARG 45 CO 0.31 -0.10 1.64 -2.13 -0.68 0.00 0.00 175.30 174.35 1yhq n ARG 46 N 3.79 2.35 -3.60 3.54 0.63 -0.07 -4.97 116.66 118.34 1yhq n ARG 46 Ca 0.07 0.85 -0.13 0.00 -0.92 0.00 0.00 57.85 57.72 1yhq n ARG 46 Cb 0.49 -2.65 -0.06 0.00 0.45 0.00 0.00 32.46 30.69 1yhq n ARG 46 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1yhq s ASP 47 N 1.24 -0.55 -0.01 6.15 3.68 -1.26 -4.82 116.67 121.09 1yhq s ASP 47 Ca 0.79 0.88 -0.05 0.00 2.13 0.00 0.00 52.55 56.30 1yhq s ASP 47 Cb -0.62 0.83 0.00 0.00 -1.45 0.00 0.00 42.92 41.67 1yhq s ASP 47 CO 0.37 -0.32 0.10 -0.31 0.13 0.00 0.00 175.17 175.14 1yhq s TYR 48 N -0.34 0.03 0.30 -5.34 1.51 -1.26 -5.03 117.35 107.21 1yhq s TYR 48 Ca -0.02 -0.06 0.28 0.00 -1.01 0.00 0.00 57.07 56.26 1yhq s TYR 48 Cb -0.03 -0.04 1.31 0.00 -0.11 0.00 0.00 41.96 43.09 1yhq s TYR 48 CO 0.01 -0.20 1.99 0.93 -1.11 0.00 0.00 175.55 177.17 1yhq h GLU 49 N 4.88 0.00 0.00 -0.62 4.39 -2.01 -2.47 114.58 118.74 1yhq h GLU 49 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1yhq h GLU 49 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1yhq h GLU 49 CO 0.41 0.14 0.00 -2.67 -1.16 0.00 0.00 179.01 175.73 1yhq n TRP 50 N -3.46 0.00 1.28 4.33 4.27 -1.26 -2.98 117.44 119.62 1yhq n TRP 50 Ca -0.01 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.73 1yhq n TRP 50 Cb 0.30 -0.02 0.66 0.00 -1.36 0.00 0.00 31.31 30.90 1yhq n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1yhq n GLN 51 N -1.02 0.45 -4.06 -2.67 6.02 -0.93 -4.79 117.38 110.39 1yhq n GLN 51 Ca 0.20 0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1yhq n GLN 51 Cb 0.10 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 1yhq n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1yhq s SER 52 N -2.46 0.16 0.59 1.08 1.04 -1.16 -5.12 113.70 107.83 1yhq s SER 52 Ca 0.27 -1.05 -0.20 0.00 0.48 0.00 0.00 55.95 55.45 1yhq s SER 52 Cb 0.17 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1yhq s SER 52 CO 0.37 -0.83 1.33 -0.54 0.98 0.00 0.00 173.24 174.55 1yhq s LYS 53 N -4.01 2.90 0.19 4.02 -0.14 -1.26 -4.91 119.74 116.52 1yhq s LYS 53 Ca 0.22 2.16 -0.12 0.00 -1.36 0.00 0.00 55.97 56.87 1yhq s LYS 53 Cb 0.05 -2.09 0.22 0.00 -1.68 0.00 0.00 37.83 34.33 1yhq s LYS 53 CO 0.02 -1.36 1.70 0.00 -0.76 0.00 0.00 175.35 174.95 1yhq h ALA 54 N 1.08 0.57 -0.26 5.17 0.00 -1.96 -1.53 119.26 122.33 1yhq h ALA 54 Ca -0.51 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1yhq h ALA 54 Cb 1.32 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 1yhq h ALA 54 CO 0.56 -0.33 0.15 0.41 0.00 0.00 0.00 179.25 180.03 1yhq n GLY 55 N -1.30 2.57 0.00 0.00 0.00 -1.26 -5.15 105.19 100.04 1yhq n GLY 55 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1yhq n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11