#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s LYS 2 N 0.00 2.60 0.06 1.61 -0.14 -1.26 -5.11 119.74 117.50 1yhq s LYS 2 Ca 0.00 -1.11 -0.20 0.00 -1.36 0.00 0.00 55.97 53.30 1yhq s LYS 2 Cb 0.00 -2.77 -0.06 0.00 -1.68 0.00 0.00 37.83 33.31 1yhq s LYS 2 CO 0.00 -0.41 0.59 -1.59 -0.76 0.00 0.00 175.35 173.18 1yhq s LYS 3 N 1.20 4.26 0.86 1.68 -2.85 -1.26 -5.07 119.74 118.55 1yhq s LYS 3 Ca -0.02 0.77 -0.12 0.00 -1.00 0.00 0.00 55.97 55.59 1yhq s LYS 3 Cb -0.17 -3.26 0.13 0.00 -2.06 0.00 0.00 37.83 32.47 1yhq s LYS 3 CO -0.08 0.57 1.21 -1.54 0.10 0.00 0.00 175.35 175.61 1yhq s SER 4 N -0.91 3.94 0.22 0.03 1.04 -1.26 -4.85 113.70 111.91 1yhq s SER 4 Ca 0.30 0.45 -0.07 0.00 0.48 0.00 0.00 55.95 57.12 1yhq s SER 4 Cb -0.19 -0.77 0.18 0.00 0.10 0.00 0.00 66.02 65.34 1yhq s SER 4 CO 0.19 -2.22 1.75 0.50 0.98 0.00 0.00 173.24 174.45 1yhq h LYS 5 N -1.22 1.10 -0.18 4.02 3.64 -1.99 -1.38 116.57 120.57 1yhq h LYS 5 Ca -0.45 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 58.65 1yhq h LYS 5 Cb 1.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1yhq h LYS 5 CO 0.52 0.95 -0.06 0.00 -2.27 0.00 0.00 179.45 178.59 1yhq h ALA 6 N 1.16 0.25 -0.94 5.00 0.00 -2.00 -1.80 119.26 120.92 1yhq h ALA 6 Ca 0.23 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1yhq h ALA 6 Cb 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1yhq h ALA 6 CO -0.00 0.04 0.59 1.15 0.00 0.00 0.00 179.25 181.03 1yhq h THR 7 N 0.05 1.02 -0.49 0.00 2.02 -1.90 -1.34 112.91 112.28 1yhq h THR 7 Ca 0.04 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1yhq h THR 7 Cb 0.52 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1yhq h THR 7 CO 0.02 0.19 0.30 0.50 0.37 0.00 0.00 175.52 176.90 1yhq h LYS 8 N 1.04 0.67 -0.64 6.66 3.64 -1.03 -0.26 116.57 126.65 1yhq h LYS 8 Ca 0.43 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 1yhq h LYS 8 Cb 0.25 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1yhq h LYS 8 CO -0.20 0.48 0.40 0.87 -2.27 0.00 0.00 179.45 178.73 1yhq h LYS 9 N 0.66 0.77 -0.36 1.90 1.57 -0.39 0.33 116.57 121.05 1yhq h LYS 9 Ca 0.18 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1yhq h LYS 9 Cb -0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1yhq h LYS 9 CO -0.03 0.51 0.15 0.00 -0.57 0.00 0.00 179.45 179.50 1yhq h ARG 10 N 0.79 0.53 -0.84 3.15 3.08 -0.81 -1.10 114.38 119.18 1yhq h ARG 10 Ca 0.26 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1yhq h ARG 10 Cb 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1yhq h ARG 10 CO -0.10 0.51 0.56 -0.07 -1.07 0.00 0.00 179.97 179.80 1yhq h LEU 11 N 0.43 0.96 -0.24 3.04 3.38 -0.68 -1.36 115.31 120.83 1yhq h LEU 11 Ca 0.12 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1yhq h LEU 11 Cb 0.18 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1yhq h LEU 11 CO -0.01 0.69 -0.06 0.00 0.09 0.00 0.00 178.44 179.15 1yhq h ALA 12 N 1.31 0.16 -0.13 1.53 0.00 -0.42 -0.96 119.26 120.75 1yhq h ALA 12 Ca 0.31 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1yhq h ALA 12 Cb -0.12 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1yhq h ALA 12 CO -0.07 -0.47 0.07 -0.22 0.00 0.00 0.00 179.25 178.56 1yhq h LYS 13 N 0.00 0.14 -0.97 0.00 3.64 -0.70 -1.26 116.57 117.42 1yhq h LYS 13 Ca 0.12 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.63 1yhq h LYS 13 Cb 0.18 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.87 1yhq h LYS 13 CO -0.25 0.09 0.59 -0.07 -2.27 0.00 0.00 179.45 177.54 1yhq h LEU 14 N 0.15 0.81 -0.50 5.20 3.38 -0.83 0.25 115.31 123.77 1yhq h LEU 14 Ca 0.05 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1yhq h LEU 14 Cb 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1yhq h LEU 14 CO -0.03 0.38 0.08 -0.78 0.09 0.00 0.00 178.44 178.18 1yhq h ASP 15 N 0.86 0.79 -0.53 -0.43 3.58 -0.49 -2.44 116.42 117.77 1yhq h ASP 15 Ca 0.51 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 1yhq h ASP 15 Cb 0.62 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1yhq h ASP 15 CO -0.31 0.85 0.16 -1.13 -2.88 0.00 0.00 179.24 175.93 1yhq h ASN 16 N 0.70 0.77 0.08 2.28 -0.00 0.14 -1.90 115.58 117.65 1yhq h ASN 16 Ca 0.15 -0.21 -0.00 0.00 -0.00 0.00 0.00 56.30 56.24 1yhq h ASN 16 Cb 0.39 -0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 38.51 1yhq h ASN 16 CO 0.01 0.78 -0.00 1.56 -0.00 0.00 0.00 177.43 179.77 1yhq h GLN 17 N 0.72 0.00 -0.55 6.67 4.20 -0.42 -2.36 115.11 123.37 1yhq h GLN 17 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1yhq h GLN 17 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1yhq h GLN 17 CO -0.00 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.45 1yhq n ASN 18 N -3.24 0.55 -4.65 1.46 4.05 -0.71 -4.83 115.26 107.89 1yhq n ASN 18 Ca -0.03 -1.90 -0.24 0.00 0.45 0.00 0.00 54.58 52.85 1yhq n ASN 18 Cb 0.09 -0.27 0.11 0.00 1.23 0.00 0.00 39.78 40.94 1yhq n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1yhq s SER 19 N -0.47 4.30 0.44 1.20 1.04 -0.89 -4.90 113.70 114.42 1yhq s SER 19 Ca 0.00 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.28 1yhq s SER 19 Cb 0.00 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.90 1yhq s SER 19 CO 0.00 -1.90 0.63 -0.60 0.98 0.00 0.00 173.24 172.36 1yhq s ARG 20 N -5.22 2.91 -0.19 4.02 3.52 -1.26 -4.98 118.95 117.76 1yhq s ARG 20 Ca 0.66 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 55.17 1yhq s ARG 20 Cb -0.06 -2.64 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 1yhq s ARG 20 CO 0.45 -0.30 1.49 0.08 -0.81 0.00 0.00 175.30 176.21 1yhq s VAL 21 N -2.48 3.88 0.55 7.11 1.01 -1.26 -4.94 120.40 124.27 1yhq s VAL 21 Ca 0.51 1.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.33 1yhq s VAL 21 Cb -0.10 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1yhq s VAL 21 CO 0.36 -0.24 0.48 -0.81 0.00 0.00 0.00 175.10 174.88 1yhq n PRO 22 N 7.25 0.48 -0.22 2.72 -0.04 -1.26 -4.88 135.00 139.04 1yhq n PRO 22 Ca 0.17 0.19 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 1yhq n PRO 22 Cb 0.45 -1.63 0.14 0.00 -0.04 0.00 0.00 33.50 32.42 1yhq n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yhq h ALA 23 N 0.27 0.86 -0.10 0.55 0.00 -2.03 -2.61 119.26 116.20 1yhq h ALA 23 Ca -0.45 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1yhq h ALA 23 Cb 1.40 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1yhq h ALA 23 CO 0.47 -0.27 -0.22 0.11 0.00 0.00 0.00 179.25 179.34 1yhq h TRP 24 N 0.33 0.18 0.00 0.00 5.08 -2.01 -2.41 115.95 117.13 1yhq h TRP 24 Ca 0.36 -0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.30 1yhq h TRP 24 Cb 0.54 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.65 1yhq h TRP 24 CO -0.22 0.39 -0.03 0.28 -1.28 0.00 0.00 178.44 177.58 1yhq h VAL 25 N 0.16 0.86 -0.16 0.12 2.07 -1.81 0.12 116.25 117.61 1yhq h VAL 25 Ca 0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1yhq h VAL 25 Cb 0.49 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1yhq h VAL 25 CO 0.03 0.03 -0.02 0.24 0.02 0.00 0.00 177.57 177.87 1yhq h MET 26 N 0.00 0.29 0.43 1.57 2.86 -1.50 -1.49 114.93 117.09 1yhq h MET 26 Ca -0.00 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1yhq h MET 26 Cb 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1yhq h MET 26 CO 0.00 0.54 -0.21 -0.07 1.06 0.00 0.00 176.91 178.24 1yhq h LEU 27 N 0.01 -0.49 -0.92 1.22 3.38 -1.35 0.12 115.31 117.28 1yhq h LEU 27 Ca 0.04 -0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.11 1yhq h LEU 27 Cb 0.43 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.19 1yhq h LEU 27 CO 0.01 -0.14 0.48 0.50 0.09 0.00 0.00 178.44 179.38 1yhq h LYS 28 N -0.87 0.52 -0.43 1.13 3.64 -0.85 0.34 116.57 120.04 1yhq h LYS 28 Ca -0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1yhq h LYS 28 Cb 0.56 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1yhq h LYS 28 CO 0.10 0.34 0.00 0.25 -2.27 0.00 0.00 179.45 177.87 1yhq n THR 29 N -4.94 0.57 -4.09 1.00 -2.24 -0.56 -4.93 114.28 99.09 1yhq n THR 29 Ca 0.22 -0.64 -0.28 0.00 -2.27 0.00 0.00 64.05 61.09 1yhq n THR 29 Cb 0.62 0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1yhq n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yhq n ASP 30 N 0.97 -0.02 -1.43 3.42 8.00 0.12 -5.03 116.55 122.58 1yhq n ASP 30 Ca 0.18 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1yhq n ASP 30 Cb 0.45 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 1yhq n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1yhq n ARG 31 N -4.46 -4.03 0.00 -1.24 1.74 0.28 -5.03 116.66 103.93 1yhq n ARG 31 Ca -0.30 2.93 0.00 0.00 -0.77 0.00 0.00 57.85 59.71 1yhq n ARG 31 Cb 0.68 -3.24 0.00 0.00 -1.02 0.00 0.00 32.46 28.88 1yhq n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yhq n ARG 35 N -0.02 0.00 -3.23 5.56 1.74 -1.26 -5.02 116.66 114.44 1yhq n ARG 35 Ca 0.00 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.62 1yhq n ARG 35 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1yhq n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1yhq s ASN 36 N 0.00 6.72 0.00 0.55 3.84 -1.26 -4.89 114.94 119.90 1yhq s ASN 36 Ca 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 52.86 50.56 1yhq s ASN 36 Cb 0.00 -2.26 0.02 0.00 -0.55 0.00 0.00 41.25 38.47 1yhq s ASN 36 CO 0.00 -0.70 0.21 1.41 -2.79 0.00 0.00 177.10 175.23 1yhq n HIS 37 N 4.63 0.00 -1.93 0.43 8.25 -1.26 -2.12 115.22 123.23 1yhq n HIS 37 Ca 0.16 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.67 1yhq n HIS 37 Cb 0.47 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.72 1yhq n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yhq n LYS 38 N -0.67 0.97 -2.27 -0.41 5.02 -1.26 -5.03 118.16 114.50 1yhq n LYS 38 Ca 0.00 -2.77 -0.43 0.00 -2.02 0.00 0.00 58.31 53.09 1yhq n LYS 38 Cb 0.00 -1.00 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1yhq n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1yhq s ARG 39 N -1.98 3.78 -0.14 1.97 0.52 -0.90 -4.76 118.95 117.43 1yhq s ARG 39 Ca 0.36 1.36 -0.03 0.00 -0.52 0.00 0.00 55.73 56.89 1yhq s ARG 39 Cb 0.37 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 1yhq s ARG 39 CO -0.10 -1.31 -0.05 0.50 0.02 0.00 0.00 175.30 174.36 1yhq s ARG 40 N 4.58 3.55 -0.08 3.54 3.52 -1.26 -5.08 118.95 127.72 1yhq s ARG 40 Ca 0.64 -0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 55.64 1yhq s ARG 40 Cb -0.19 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1yhq s ARG 40 CO 0.28 0.29 0.18 -1.58 -0.81 0.00 0.00 175.30 173.65 1yhq s HIS 41 N 0.23 3.60 0.32 5.12 5.65 -1.26 -5.00 115.29 123.95 1yhq s HIS 41 Ca -0.03 0.53 0.00 0.00 0.25 0.00 0.00 55.06 55.81 1yhq s HIS 41 Cb -0.14 -1.95 0.54 0.00 -1.18 0.00 0.00 32.58 29.85 1yhq s HIS 41 CO 0.03 0.71 1.98 0.11 -0.65 0.00 0.00 174.74 176.92 1yhq h TRP 42 N 4.66 0.93 0.00 3.88 5.08 -1.99 -1.12 115.95 127.39 1yhq h TRP 42 Ca -0.53 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.44 1yhq h TRP 42 Cb 1.22 -0.32 -0.00 0.00 -3.00 0.00 0.00 29.16 27.06 1yhq h TRP 42 CO 0.73 0.58 -0.33 -0.09 -1.28 0.00 0.00 178.44 178.05 1yhq h ARG 43 N 1.00 0.00 0.00 0.12 2.43 -2.04 -3.38 114.38 112.50 1yhq h ARG 43 Ca 0.28 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1yhq h ARG 43 Cb -0.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1yhq h ARG 43 CO -0.07 0.18 -0.12 0.00 -1.51 0.00 0.00 179.97 178.45 1yhq h ARG 44 N -1.00 0.00 -5.88 0.20 2.47 -1.99 -3.44 114.38 104.73 1yhq h ARG 44 Ca -0.03 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.11 1yhq h ARG 44 Cb 0.42 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.68 1yhq h ARG 44 CO -0.02 0.12 -0.36 -0.80 0.56 0.00 0.00 179.97 179.47 1yhq s ASN 45 N -6.23 4.60 -0.03 7.04 0.01 -0.42 -4.96 114.94 114.94 1yhq s ASN 45 Ca -0.03 -1.21 -0.00 0.00 -0.71 0.00 0.00 52.86 50.90 1yhq s ASN 45 Cb 0.13 0.21 0.03 0.00 0.41 0.00 0.00 41.25 42.03 1yhq s ASN 45 CO 0.59 -0.96 0.04 -0.62 -1.51 0.00 0.00 177.10 174.64 1yhq s ASP 46 N -4.18 0.35 0.76 -1.22 -1.08 -1.26 -4.77 116.67 105.27 1yhq s ASP 46 Ca 0.34 0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 52.36 1yhq s ASP 46 Cb -0.01 -0.10 0.12 0.00 -1.46 0.00 0.00 42.92 41.47 1yhq s ASP 46 CO 0.20 -0.16 1.06 0.42 0.52 0.00 0.00 175.17 177.22 1yhq s THR 47 N 1.34 2.18 0.67 1.71 -4.23 -1.26 -5.09 115.64 110.96 1yhq s THR 47 Ca -0.06 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.01 1yhq s THR 47 Cb -0.13 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.96 1yhq s THR 47 CO -0.03 0.00 0.98 -1.81 -0.54 0.00 0.00 174.62 173.22 1yhq s ASP 48 N -4.70 5.05 0.00 3.99 -0.00 -1.26 -5.27 116.67 114.48 1yhq s ASP 48 Ca 0.66 0.54 0.00 0.00 -0.00 0.00 0.00 52.55 53.75 1yhq s ASP 48 Cb -0.07 -1.29 0.00 0.00 -0.00 0.00 0.00 42.92 41.56 1yhq s ASP 48 CO 0.46 -1.44 0.00 -0.62 -0.00 0.00 0.00 175.17 173.57