#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqq s SER 2 N 0.00 4.45 -0.09 1.61 1.04 -1.26 -5.08 113.70 114.37 2yqq s SER 2 Ca 0.00 -1.56 -0.04 0.00 0.48 0.00 0.00 55.95 54.84 2yqq s SER 2 Cb 0.00 -1.51 0.05 0.00 0.10 0.00 0.00 66.02 64.66 2yqq s SER 2 CO 0.00 -0.24 0.18 -0.44 0.98 0.00 0.00 173.24 173.72 2yqq s SER 3 N 1.10 0.54 -0.21 7.02 0.01 -1.26 -5.15 113.70 115.76 2yqq s SER 3 Ca -0.04 0.39 -0.28 0.00 1.31 0.00 0.00 55.95 57.33 2yqq s SER 3 Cb -0.20 0.35 0.11 0.00 0.21 0.00 0.00 66.02 66.50 2yqq s SER 3 CO -0.06 -0.23 0.95 -0.83 0.41 0.00 0.00 173.24 173.48 2yqq s GLY 4 N 2.15 -0.28 0.21 3.44 0.00 -1.26 -5.18 107.32 106.40 2yqq s GLY 4 Ca 0.01 2.21 -0.16 0.00 0.00 0.00 0.00 44.72 46.79 2yqq s GLY 4 CO -0.06 1.41 0.50 -0.45 0.00 0.00 0.00 173.10 174.50 2yqq s SER 5 N -0.44 -0.18 0.17 1.64 0.15 -1.26 -5.18 113.70 108.60 2yqq s SER 5 Ca -0.01 -0.64 0.06 0.00 0.70 0.00 0.00 55.95 56.06 2yqq s SER 5 Cb -0.03 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 2yqq s SER 5 CO -0.01 -1.08 0.09 -0.44 1.20 0.00 0.00 173.24 173.00 2yqq s SER 6 N -2.92 5.26 0.00 5.45 0.01 -1.26 -4.96 113.70 115.29 2yqq s SER 6 Ca 0.13 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2yqq s SER 6 Cb -0.01 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2yqq s SER 6 CO 0.01 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2yqq n GLY 7 N -0.32 0.81 3.12 3.44 0.00 -1.26 -5.15 105.19 105.83 2yqq n GLY 7 Ca -0.09 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 2yqq n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2yqq s LEU 8 N 0.00 1.98 -1.65 0.99 2.34 -1.26 -4.78 118.68 116.30 2yqq s LEU 8 Ca 0.00 -0.28 -0.14 0.00 0.06 0.00 0.00 54.13 53.77 2yqq s LEU 8 Cb 0.00 -0.81 0.12 0.00 -0.56 0.00 0.00 46.19 44.94 2yqq s LEU 8 CO 0.00 0.17 0.62 0.29 -1.06 0.00 0.00 176.35 176.37 2yqq n LYS 9 N 2.85 -2.77 -0.31 1.48 5.02 -1.26 -4.81 118.16 118.37 2yqq n LYS 9 Ca -0.16 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.56 2yqq n LYS 9 Cb 0.54 -4.81 0.26 0.00 -0.02 0.00 0.00 35.03 31.00 2yqq n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yqq s SER 11 N -5.39 -0.18 -0.05 0.00 0.01 -1.26 -5.10 113.70 101.73 2yqq s SER 11 Ca -0.12 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 2yqq s SER 11 Cb 0.23 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 2yqq s SER 11 CO 0.78 -0.48 -0.07 0.41 0.41 0.00 0.00 173.24 174.30 2yqq n THR 12 N 1.16 0.48 -3.64 1.44 -1.04 -1.26 -5.08 114.28 106.35 2yqq n THR 12 Ca -0.21 0.40 -0.06 0.00 -2.04 0.00 0.00 64.05 62.14 2yqq n THR 12 Cb 0.57 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 2yqq n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2yqq s VAL 13 N -1.46 0.00 0.25 12.58 0.11 -1.26 -5.18 120.40 125.44 2yqq s VAL 13 Ca -0.06 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 2yqq s VAL 13 Cb 0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2yqq s VAL 13 CO 0.09 0.00 0.19 0.68 -3.33 0.00 0.00 175.10 172.73 2yqq s VAL 14 N -0.23 4.43 -0.30 2.04 -7.23 -1.26 -4.70 120.40 113.15 2yqq s VAL 14 Ca 0.05 -1.40 -0.43 0.00 -1.81 0.00 0.00 61.98 58.39 2yqq s VAL 14 Cb -0.04 -3.39 -0.19 0.00 0.56 0.00 0.00 36.38 33.32 2yqq s VAL 14 CO -0.10 -0.34 1.51 0.00 -0.31 0.00 0.00 175.10 175.86 2yqq n VAL 16 N 3.52 0.00 0.02 0.00 0.24 -1.11 0.51 118.33 121.51 2yqq n VAL 16 Ca 0.27 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.55 2yqq n VAL 16 Cb 0.03 -0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.23 2yqq n VAL 16 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2yqq n ILE 17 N -0.46 1.05 0.46 1.34 2.08 -1.26 -4.85 119.36 117.72 2yqq n ILE 17 Ca 0.00 0.29 0.06 0.00 0.56 0.00 0.00 62.75 63.65 2yqq n ILE 17 Cb 0.01 -1.66 -0.07 0.00 -0.75 0.00 0.00 39.64 37.17 2yqq n ILE 17 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yqq n LEU 19 N -1.38 -4.43 -4.19 0.00 4.32 0.18 -4.94 117.00 106.57 2yqq n LEU 19 Ca 0.01 -0.57 -0.14 0.00 -0.02 0.00 0.00 56.01 55.30 2yqq n LEU 19 Cb 0.20 -2.78 -0.11 0.00 -1.62 0.00 0.00 43.42 39.11 2yqq n LEU 19 CO 0.24 0.20 -0.42 -1.61 -1.22 0.00 0.00 177.39 174.59 2yqq s GLU 20 N -4.67 0.90 -0.91 3.23 2.02 -1.26 -4.67 118.70 113.33 2yqq s GLU 20 Ca 0.20 -1.23 -0.27 0.00 0.02 0.00 0.00 54.97 53.69 2yqq s GLU 20 Cb -0.03 -0.55 -0.21 0.00 0.10 0.00 0.00 34.13 33.45 2yqq s GLU 20 CO 0.63 0.08 2.43 1.63 0.02 0.00 0.00 175.26 180.04 2yqq n LYS 21 N 0.37 0.00 -2.14 1.61 5.02 -1.26 -2.71 118.16 119.05 2yqq n LYS 21 Ca -0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 2yqq n LYS 21 Cb 0.58 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 2yqq n LYS 21 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2yqq s PRO 22 N 8.08 4.08 0.06 1.97 0.04 -1.26 -4.68 135.00 143.30 2yqq s PRO 22 Ca 1.24 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 64.03 2yqq s PRO 22 Cb -1.12 -3.95 -0.24 0.00 0.04 0.00 0.00 34.50 29.23 2yqq s PRO 22 CO 0.45 -0.95 1.17 0.87 0.04 0.00 0.00 177.00 178.59 2yqq h LYS 23 N 9.57 0.67 -5.00 4.56 1.57 -1.72 -3.46 116.57 122.76 2yqq h LYS 23 Ca -0.34 -0.73 -0.48 0.00 -1.87 0.00 0.00 60.65 57.22 2yqq h LYS 23 Cb 1.15 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 33.54 2yqq h LYS 23 CO 0.97 1.31 -0.55 0.71 -0.57 0.00 0.00 179.45 181.33 2yqq s TYR 24 N -3.28 1.73 0.08 -1.35 1.51 -1.04 -5.05 117.35 109.96 2yqq s TYR 24 Ca -0.10 -1.28 0.03 0.00 -1.01 0.00 0.00 57.07 54.71 2yqq s TYR 24 Cb 0.06 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 2yqq s TYR 24 CO 0.91 -0.36 -0.10 1.03 -1.11 0.00 0.00 175.55 175.93 2yqq s ARG 25 N -3.78 0.78 0.08 -0.62 0.52 -1.26 -1.63 118.95 113.05 2yqq s ARG 25 Ca 0.31 -1.07 -0.31 0.00 -0.52 0.00 0.00 55.73 54.14 2yqq s ARG 25 Cb 0.05 -0.48 -0.09 0.00 0.52 0.00 0.00 34.95 34.95 2yqq s ARG 25 CO 0.16 0.08 1.70 0.00 0.02 0.00 0.00 175.30 177.26 2yqq n PRO 27 N 5.63 0.49 0.00 0.00 -0.04 -1.26 -0.52 135.00 139.30 2yqq n PRO 27 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2yqq n PRO 27 Cb 0.40 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2yqq n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yqq n ALA 28 N -0.48 2.44 0.34 0.55 0.00 -1.26 -4.84 120.51 117.27 2yqq n ALA 28 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2yqq n ALA 28 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 2yqq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yqq n ARG 30 N -2.60 -2.19 -4.07 0.00 5.12 0.32 -4.93 116.66 108.32 2yqq n ARG 30 Ca 0.03 0.42 -0.29 0.00 -1.93 0.00 0.00 57.85 56.08 2yqq n ARG 30 Cb 0.50 -3.90 -0.06 0.00 -1.16 0.00 0.00 32.46 27.83 2yqq n ARG 30 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2yqq s VAL 31 N -3.19 4.44 -0.02 1.55 -7.23 -1.26 -4.73 120.40 109.97 2yqq s VAL 31 Ca 0.11 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 59.11 2yqq s VAL 31 Cb -0.01 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 2yqq s VAL 31 CO 0.36 0.07 1.47 -2.16 -0.31 0.00 0.00 175.10 174.53 2yqq s PRO 32 N -2.53 4.25 -0.12 4.82 0.04 -1.26 -1.52 135.00 138.67 2yqq s PRO 32 Ca 0.29 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.30 2yqq s PRO 32 Cb -0.12 -3.67 0.06 0.00 0.04 0.00 0.00 34.50 30.81 2yqq s PRO 32 CO 0.22 -0.66 0.26 1.52 0.04 0.00 0.00 177.00 178.37 2yqq s TYR 33 N 2.85 -0.39 0.00 0.56 -0.85 -0.64 -2.74 117.35 116.13 2yqq s TYR 33 Ca 0.66 0.91 0.00 0.00 -0.52 0.00 0.00 57.07 58.12 2yqq s TYR 33 Cb -0.32 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.01 2yqq s TYR 33 CO 0.27 -0.32 0.71 0.00 -1.52 0.00 0.00 175.55 174.69 2yqq s SER 35 N -2.16 4.26 0.13 0.00 0.01 -1.26 -4.19 113.70 110.48 2yqq s SER 35 Ca 0.00 -1.56 -0.20 0.00 1.31 0.00 0.00 55.95 55.50 2yqq s SER 35 Cb 0.00 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2yqq s SER 35 CO 0.00 -0.93 1.71 0.58 0.41 0.00 0.00 173.24 175.01 2yqq h VAL 36 N 1.19 0.82 -0.27 3.43 2.07 -1.98 -2.96 116.25 118.56 2yqq h VAL 36 Ca -0.42 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2yqq h VAL 36 Cb 1.31 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2yqq h VAL 36 CO 0.70 0.00 -0.16 0.52 0.02 0.00 0.00 177.57 178.65 2yqq n VAL 37 N -5.18 -0.18 -0.32 2.57 0.31 -1.26 0.15 118.33 114.42 2yqq n VAL 37 Ca -0.03 1.35 0.13 0.00 -0.01 0.00 0.00 64.34 65.78 2yqq n VAL 37 Cb 0.12 -1.74 0.35 0.00 -0.91 0.00 0.00 33.84 31.65 2yqq n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yqq h PHE 39 N 0.75 0.36 0.24 0.00 3.57 0.16 -3.04 116.94 118.98 2yqq h PHE 39 Ca 0.52 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 2yqq h PHE 39 Cb 0.82 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 2yqq h PHE 39 CO -0.00 0.55 -0.14 0.00 -2.23 0.00 0.00 178.31 176.48 2yqq h ARG 40 N 0.30 -0.34 -1.07 1.11 3.08 0.33 0.19 114.38 117.96 2yqq h ARG 40 Ca 0.05 0.02 0.33 0.00 0.07 0.00 0.00 59.98 60.45 2yqq h ARG 40 Cb 0.58 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.58 2yqq h ARG 40 CO 0.04 -0.23 0.65 0.87 -1.07 0.00 0.00 179.97 180.23 2yqq h LYS 41 N -0.36 0.30 0.63 0.04 1.57 -1.58 -1.21 116.57 115.96 2yqq h LYS 41 Ca -0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2yqq h LYS 41 Cb 0.28 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.53 2yqq h LYS 41 CO 0.04 0.20 -0.30 1.25 -0.57 0.00 0.00 179.45 180.07 2yqq h HIS 42 N 0.31 -0.78 -1.18 -1.35 -0.00 -1.37 -3.10 115.15 107.68 2yqq h HIS 42 Ca 0.72 -0.02 0.41 0.00 -0.00 0.00 0.00 60.37 61.48 2yqq h HIS 42 Cb 1.79 0.26 -0.12 0.00 -0.00 0.00 0.00 27.41 29.34 2yqq h HIS 42 CO -0.01 -0.48 0.75 1.17 -0.00 0.00 0.00 177.93 179.36 2yqq n LYS 43 N -5.23 -0.03 -0.33 5.26 4.81 0.63 0.30 118.16 123.58 2yqq n LYS 43 Ca -0.10 1.09 0.10 0.00 -0.87 0.00 0.00 58.31 58.53 2yqq n LYS 43 Cb 0.33 -2.14 0.21 0.00 0.02 0.00 0.00 35.03 33.45 2yqq n LYS 43 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2yqq h GLU 44 N 0.00 0.02 0.00 1.64 4.39 -1.40 -1.16 114.58 118.07 2yqq h GLU 44 Ca 0.76 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.43 2yqq h GLU 44 Cb 2.43 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 31.00 2yqq h GLU 44 CO -0.42 0.01 -0.49 0.00 -1.16 0.00 0.00 179.01 176.96 2yqq n GLN 45 N -5.51 1.09 -1.55 2.33 10.64 0.15 -5.03 117.38 119.48 2yqq n GLN 45 Ca 0.19 -2.70 -0.40 0.00 -1.83 0.00 0.00 57.00 52.26 2yqq n GLN 45 Cb 0.62 -1.19 -0.04 0.00 -0.86 0.00 0.00 30.24 28.76 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2yqq s ASN 47 N 10.41 5.38 1.16 0.00 2.47 -1.26 -5.00 114.94 128.09 2yqq s ASN 47 Ca 1.02 -1.95 -0.13 0.00 0.42 0.00 0.00 52.86 52.22 2yqq s ASN 47 Cb -0.35 -1.88 0.19 0.00 -1.45 0.00 0.00 41.25 37.76 2yqq s ASN 47 CO 0.32 -0.58 0.67 -0.81 -3.72 0.00 0.00 177.10 172.98 2yqq n PRO 48 N 4.69 -2.34 -3.80 0.43 -0.04 -1.26 -4.86 135.00 127.83 2yqq n PRO 48 Ca -0.04 -1.07 -0.29 0.00 -0.04 0.00 0.00 63.50 62.06 2yqq n PRO 48 Cb 0.41 -1.00 -0.13 0.00 -0.04 0.00 0.00 33.50 32.74 2yqq n PRO 48 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2yqq s GLU 49 N -4.51 1.76 -0.98 0.54 0.41 -1.26 -5.00 118.70 109.66 2yqq s GLU 49 Ca 0.43 -2.55 -0.24 0.00 -0.41 0.00 0.00 54.97 52.20 2yqq s GLU 49 Cb -0.04 -2.81 -0.06 0.00 -1.78 0.00 0.00 34.13 29.43 2yqq s GLU 49 CO 0.33 -1.20 1.96 0.95 -0.49 0.00 0.00 175.26 176.81 2yqq s THR 50 N -0.35 3.46 -0.37 3.63 -4.23 -1.26 -4.73 115.64 111.78 2yqq s THR 50 Ca 0.21 -0.51 0.06 0.00 -1.18 0.00 0.00 61.69 60.27 2yqq s THR 50 Cb -0.16 -4.13 0.44 0.00 1.34 0.00 0.00 72.50 69.99 2yqq s THR 50 CO -0.06 -0.92 1.24 -0.24 -0.54 0.00 0.00 174.62 174.10 2yqq n SER 51 N 14.31 5.11 0.00 3.99 2.88 -1.26 -4.90 113.62 133.75 2yqq n SER 51 Ca 0.42 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 2yqq n SER 51 Cb 0.47 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2yqq n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqq n GLY 52 N -0.65 0.76 3.56 0.46 0.00 -1.26 -5.01 105.19 103.05 2yqq n GLY 52 Ca 0.44 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2yqq n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yqq s PRO 53 N -0.86 2.56 -0.65 1.61 0.04 -1.26 -4.90 135.00 131.54 2yqq s PRO 53 Ca 0.00 -0.29 -0.02 0.00 0.04 0.00 0.00 61.00 60.74 2yqq s PRO 53 Cb 0.00 -5.06 0.17 0.00 0.04 0.00 0.00 34.50 29.65 2yqq s PRO 53 CO 0.00 -3.36 0.46 0.45 0.04 0.00 0.00 177.00 174.59 2yqq s SER 54 N 8.01 5.20 0.25 6.66 0.15 -1.26 -5.04 113.70 127.67 2yqq s SER 54 Ca 0.70 -3.02 -0.22 0.00 0.70 0.00 0.00 55.95 54.11 2yqq s SER 54 Cb -0.07 -1.83 0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2yqq s SER 54 CO -0.01 -0.32 0.77 -0.44 1.20 0.00 0.00 173.24 174.44 2yqq s SER 55 N 0.39 -0.25 0.00 5.45 0.01 -1.26 -5.28 113.70 112.76 2yqq s SER 55 Ca 0.18 -0.55 0.29 0.00 1.31 0.00 0.00 55.95 57.18 2yqq s SER 55 Cb -0.19 0.67 1.71 0.00 0.21 0.00 0.00 66.02 68.43 2yqq s SER 55 CO -0.04 -1.24 2.05 0.61 0.41 0.00 0.00 173.24 175.02