#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 4.19 -0.23 1.61 0.01 -1.26 -5.11 113.70 112.91 2yqq s SER 2 Ca 0.00 0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.27 2yqq s SER 2 Cb 0.00 -0.67 0.08 0.00 0.21 0.00 0.00 66.02 65.64 2yqq s SER 2 CO 0.00 -2.01 0.79 -0.44 0.41 0.00 0.00 173.24 171.98 2yqq s SER 3 N -4.68 -0.66 0.00 2.44 0.01 -1.26 -5.04 113.70 104.51 2yqq s SER 3 Ca 0.66 1.18 0.00 0.00 1.31 0.00 0.00 55.95 59.10 2yqq s SER 3 Cb -0.08 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.32 2yqq s SER 3 CO 0.47 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2yqq n GLY 4 N 2.24 0.55 3.18 3.44 0.00 -1.26 -5.12 105.19 108.22 2yqq n GLY 4 Ca -0.14 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.36 2yqq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yqq s SER 5 N -2.10 -0.37 -0.02 1.61 1.04 -1.26 -5.18 113.70 107.42 2yqq s SER 5 Ca 0.00 0.29 -0.19 0.00 0.48 0.00 0.00 55.95 56.52 2yqq s SER 5 Cb 0.00 1.33 0.04 0.00 0.10 0.00 0.00 66.02 67.49 2yqq s SER 5 CO 0.00 -0.07 0.41 -0.55 0.98 0.00 0.00 173.24 174.01 2yqq s SER 6 N 2.81 -0.32 0.98 7.02 0.15 -1.26 -5.17 113.70 117.90 2yqq s SER 6 Ca -0.02 0.26 -0.16 0.00 0.70 0.00 0.00 55.95 56.73 2yqq s SER 6 Cb -0.09 0.37 0.20 0.00 -1.71 0.00 0.00 66.02 64.79 2yqq s SER 6 CO -0.12 -0.49 1.27 -0.83 1.20 0.00 0.00 173.24 174.27 2yqq s GLY 7 N -1.29 1.73 0.39 9.45 0.00 -1.26 -5.09 107.32 111.24 2yqq s GLY 7 Ca -0.13 -1.08 0.08 0.00 0.00 0.00 0.00 44.72 43.59 2yqq s GLY 7 CO 0.06 -0.33 0.29 1.08 0.00 0.00 0.00 173.10 174.19 2yqq s LEU 8 N -6.00 3.35 -0.10 0.66 2.01 -1.26 -5.13 118.68 112.22 2yqq s LEU 8 Ca 0.72 -0.77 -0.02 0.00 0.01 0.00 0.00 54.13 54.07 2yqq s LEU 8 Cb -0.06 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.20 2yqq s LEU 8 CO 0.53 -0.52 -0.01 -0.75 1.01 0.00 0.00 176.35 176.61 2yqq s LYS 9 N -4.02 3.07 -0.09 1.70 2.20 -1.26 -5.11 119.74 116.24 2yqq s LYS 9 Ca 0.44 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 55.56 2yqq s LYS 9 Cb -0.02 -2.79 0.04 0.00 -1.51 0.00 0.00 37.83 33.55 2yqq s LYS 9 CO 0.26 0.62 0.21 0.00 -0.36 0.00 0.00 175.35 176.08 2yqq s SER 11 N 1.25 -0.82 -0.20 0.00 0.15 -1.26 -5.16 113.70 107.67 2yqq s SER 11 Ca -0.09 1.35 -0.16 0.00 0.70 0.00 0.00 55.95 57.75 2yqq s SER 11 Cb -0.11 1.70 0.06 0.00 -1.71 0.00 0.00 66.02 65.96 2yqq s SER 11 CO -0.08 -0.22 0.52 -0.89 1.20 0.00 0.00 173.24 173.77 2yqq s THR 12 N 2.39 -0.01 0.11 6.45 2.01 -1.26 -5.17 115.64 120.17 2yqq s THR 12 Ca -0.06 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.07 2yqq s THR 12 Cb -0.10 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 2yqq s THR 12 CO -0.17 0.01 -0.26 0.54 -0.69 0.00 0.00 174.62 174.05 2yqq s VAL 13 N 0.80 2.27 0.27 3.82 0.11 -1.26 -5.15 120.40 121.26 2yqq s VAL 13 Ca -0.04 -1.66 0.12 0.00 -2.93 0.00 0.00 61.98 57.47 2yqq s VAL 13 Cb -0.05 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.77 2yqq s VAL 13 CO -0.06 0.15 -0.20 0.68 -3.33 0.00 0.00 175.10 172.34 2yqq s VAL 14 N -1.01 2.49 -0.31 2.04 -7.23 -1.26 -4.74 120.40 110.38 2yqq s VAL 14 Ca 0.14 -2.35 -0.44 0.00 -1.81 0.00 0.00 61.98 57.52 2yqq s VAL 14 Cb -0.10 -2.29 -0.20 0.00 0.56 0.00 0.00 36.38 34.35 2yqq s VAL 14 CO 0.05 -0.36 1.38 0.00 -0.31 0.00 0.00 175.10 175.86 2yqq n VAL 16 N 3.04 0.00 0.03 0.00 0.24 -1.13 0.28 118.33 120.79 2yqq n VAL 16 Ca 0.26 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.56 2yqq n VAL 16 Cb -0.01 -0.17 -0.00 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.39 0.95 0.34 1.34 2.08 -1.26 -4.86 119.36 117.56 2yqq n ILE 17 Ca 0.00 0.28 0.06 0.00 0.56 0.00 0.00 62.75 63.65 2yqq n ILE 17 Cb 0.03 -1.61 -0.08 0.00 -0.75 0.00 0.00 39.64 37.23 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 -1.57 -4.03 -4.20 0.00 4.77 0.14 -4.94 117.00 107.18 2yqq n LEU 19 Ca 0.00 -0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 55.38 2yqq n LEU 19 Cb 0.25 -2.41 -0.10 0.00 -2.33 0.00 0.00 43.42 38.83 2yqq n LEU 19 CO 0.26 0.17 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.48 2yqq s GLU 20 N -4.48 0.92 -0.93 3.23 2.02 -1.26 -4.68 118.70 113.52 2yqq s GLU 20 Ca 0.16 -1.35 -0.32 0.00 0.02 0.00 0.00 54.97 53.49 2yqq s GLU 20 Cb -0.02 -0.43 -0.21 0.00 0.10 0.00 0.00 34.13 33.57 2yqq s GLU 20 CO 0.52 0.04 2.64 1.63 0.02 0.00 0.00 175.26 180.11 2yqq n LYS 21 N 0.01 0.05 -2.15 1.61 5.02 -1.26 -2.52 118.16 118.92 2yqq n LYS 21 Ca -0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.75 2yqq n LYS 21 Cb 0.60 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 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 8.68 4.20 0.04 1.97 0.04 -1.26 -4.67 135.00 144.00 2yqq s PRO 22 Ca 1.33 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 64.23 2yqq s PRO 22 Cb -1.24 -3.90 -0.34 0.00 0.04 0.00 0.00 34.50 29.06 2yqq s PRO 22 CO 0.50 -0.79 1.03 0.87 0.04 0.00 0.00 177.00 178.64 2yqq h LYS 23 N 9.06 0.54 -4.96 4.56 1.57 -1.71 -3.46 116.57 122.16 2yqq h LYS 23 Ca -0.35 -0.89 -0.46 0.00 -1.87 0.00 0.00 60.65 57.08 2yqq h LYS 23 Cb 1.15 0.33 -0.14 0.00 0.08 0.00 0.00 32.23 33.65 2yqq h LYS 23 CO 0.96 1.42 -0.55 0.71 -0.57 0.00 0.00 179.45 181.42 2yqq s TYR 24 N -2.66 1.69 0.20 -1.35 1.51 -0.97 -5.04 117.35 110.72 2yqq s TYR 24 Ca -0.09 -1.31 0.04 0.00 -1.01 0.00 0.00 57.07 54.70 2yqq s TYR 24 Cb 0.04 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.87 2yqq s TYR 24 CO 0.94 -0.42 -0.04 1.03 -1.11 0.00 0.00 175.55 175.95 2yqq s ARG 25 N -3.79 1.24 0.01 -0.62 0.52 -1.26 -1.44 118.95 113.61 2yqq s ARG 25 Ca 0.33 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.64 2yqq s ARG 25 Cb 0.05 -0.63 -0.05 0.00 0.52 0.00 0.00 34.95 34.84 2yqq s ARG 25 CO 0.17 -0.03 1.26 0.00 0.02 0.00 0.00 175.30 176.72 2yqq n PRO 27 N 4.69 0.49 0.00 0.00 -0.04 -1.26 -0.20 135.00 138.67 2yqq n PRO 27 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2yqq n PRO 27 Cb 0.45 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.35 2.45 0.71 0.55 0.00 -1.26 -4.85 120.51 117.76 2yqq n ALA 28 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2yqq n ALA 28 Cb 0.02 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.81 -3.31 -3.66 0.00 5.12 0.72 -4.96 116.66 108.76 2yqq n ARG 30 Ca 0.03 0.43 -0.33 0.00 -1.93 0.00 0.00 57.85 56.05 2yqq n ARG 30 Cb 0.40 -4.20 -0.05 0.00 -1.16 0.00 0.00 32.46 27.46 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 -3.18 5.17 -0.05 1.55 -7.23 -1.26 -4.66 120.40 110.74 2yqq s VAL 31 Ca 0.00 0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 2yqq s VAL 31 Cb -0.00 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.27 2yqq s VAL 31 CO 0.37 0.16 1.49 -2.16 -0.31 0.00 0.00 175.10 174.65 2yqq s PRO 32 N -2.29 4.23 -0.10 4.82 0.04 -1.26 -1.54 135.00 138.89 2yqq s PRO 32 Ca 0.36 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 2yqq s PRO 32 Cb -0.13 -3.76 0.05 0.00 0.04 0.00 0.00 34.50 30.70 2yqq s PRO 32 CO 0.21 -0.71 0.23 1.52 0.04 0.00 0.00 177.00 178.29 2yqq s TYR 33 N 3.22 -0.31 0.00 0.56 -0.85 -0.52 -2.82 117.35 116.63 2yqq s TYR 33 Ca 0.66 0.76 0.00 0.00 -0.52 0.00 0.00 57.07 57.97 2yqq s TYR 33 Cb -0.31 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.03 2yqq s TYR 33 CO 0.26 -0.24 0.65 0.00 -1.52 0.00 0.00 175.55 174.70 2yqq s SER 35 N -2.30 4.24 0.22 0.00 0.01 -1.26 -4.16 113.70 110.46 2yqq s SER 35 Ca 0.00 -1.57 -0.09 0.00 1.31 0.00 0.00 55.95 55.60 2yqq s SER 35 Cb 0.00 0.52 0.21 0.00 0.21 0.00 0.00 66.02 66.96 2yqq s SER 35 CO 0.00 -0.91 1.88 1.62 0.41 0.00 0.00 173.24 176.24 2yqq h VAL 36 N 1.21 1.17 -0.60 3.43 3.04 -1.99 -2.93 116.25 119.58 2yqq h VAL 36 Ca -0.42 -0.36 0.06 0.00 -1.01 0.00 0.00 66.70 64.96 2yqq h VAL 36 Cb 1.31 0.02 -0.08 0.00 -2.01 0.00 0.00 31.29 30.53 2yqq h VAL 36 CO 0.70 0.19 -0.43 0.58 -1.01 0.00 0.00 177.57 177.61 2yqq h VAL 37 N 1.06 0.00 -0.66 1.51 2.07 -2.00 0.60 116.25 118.84 2yqq h VAL 37 Ca 0.31 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.91 2yqq h VAL 37 Cb -0.06 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 2yqq h VAL 37 CO -0.09 0.00 0.43 0.00 0.02 0.00 0.00 177.57 177.94 2yqq h PHE 39 N 0.60 0.89 -0.24 0.00 3.57 -0.02 -2.85 116.94 118.89 2yqq h PHE 39 Ca 0.29 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2yqq h PHE 39 Cb 0.36 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2yqq h PHE 39 CO -0.00 0.85 0.13 0.00 -2.23 0.00 0.00 178.31 177.06 2yqq h ARG 40 N 0.75 0.27 -0.33 1.11 3.08 0.13 0.27 114.38 119.66 2yqq h ARG 40 Ca 0.13 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2yqq h ARG 40 Cb 0.55 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2yqq h ARG 40 CO 0.03 0.18 0.22 0.87 -1.07 0.00 0.00 179.97 180.20 2yqq h LYS 41 N 0.28 0.42 0.11 0.04 6.56 -1.40 -2.97 116.57 119.61 2yqq h LYS 41 Ca 0.09 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 2yqq h LYS 41 Cb -0.00 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.56 2yqq h LYS 41 CO -0.05 0.28 -0.05 1.25 -2.06 0.00 0.00 179.45 178.82 2yqq h HIS 42 N 0.43 -0.14 -0.94 -1.35 -0.00 -1.15 -3.30 115.15 108.71 2yqq h HIS 42 Ca 0.12 -0.00 0.38 0.00 -0.00 0.00 0.00 60.37 60.86 2yqq h HIS 42 Cb -0.04 0.04 -0.15 0.00 -0.00 0.00 0.00 27.41 27.27 2yqq h HIS 42 CO -0.00 0.20 0.54 1.17 -0.00 0.00 0.00 177.93 179.84 2yqq n LYS 43 N -4.84 -0.05 -0.33 5.26 3.00 0.88 0.52 118.16 122.59 2yqq n LYS 43 Ca -0.05 1.17 0.16 0.00 -0.00 0.00 0.00 58.31 59.59 2yqq n LYS 43 Cb 0.20 -2.15 0.32 0.00 0.00 0.00 0.00 35.03 33.39 2yqq n LYS 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2yqq h GLU 44 N 0.00 0.02 0.00 1.64 3.07 -1.60 -1.19 114.58 116.52 2yqq h GLU 44 Ca 0.74 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.54 2yqq h GLU 44 Cb 2.07 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.84 2yqq h GLU 44 CO -0.61 0.02 -0.61 0.00 -1.40 0.00 0.00 179.01 176.41 2yqq n GLN 45 N -5.45 0.81 -1.67 2.33 0.00 0.19 -5.08 117.38 108.52 2yqq n GLN 45 Ca 0.24 -2.48 -0.55 0.00 0.00 0.00 0.00 57.00 54.22 2yqq n GLN 45 Cb 0.80 -0.92 -0.06 0.00 0.00 0.00 0.00 30.24 30.06 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2yqq s ASN 47 N 2.50 4.93 0.00 0.00 -0.87 -1.26 -4.95 114.94 115.29 2yqq s ASN 47 Ca 0.93 -1.89 0.06 0.00 -1.57 0.00 0.00 52.86 50.38 2yqq s ASN 47 Cb -0.99 -1.71 0.34 0.00 -0.02 0.00 0.00 41.25 38.88 2yqq s ASN 47 CO 0.58 -0.40 0.80 -0.81 -2.57 0.00 0.00 177.10 174.70 2yqq n PRO 48 N 4.45 0.49 -2.60 -0.60 -0.04 -1.26 -4.59 135.00 130.85 2yqq n PRO 48 Ca -0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2yqq n PRO 48 Cb 0.42 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 -2.00 3.81 0.09 0.54 8.01 -1.26 -4.72 118.70 123.18 2yqq s GLU 49 Ca 0.09 0.73 0.07 0.00 0.01 0.00 0.00 54.97 55.87 2yqq s GLU 49 Cb 0.04 -3.87 -0.04 0.00 -4.31 0.00 0.00 34.13 25.95 2yqq s GLU 49 CO 0.07 -1.26 -0.13 -0.08 0.01 0.00 0.00 175.26 173.87 2yqq s THR 50 N 4.28 3.17 0.17 3.63 -1.32 -1.26 -5.09 115.64 119.22 2yqq s THR 50 Ca 0.48 -1.29 0.02 0.00 -1.21 0.00 0.00 61.69 59.69 2yqq s THR 50 Cb -0.09 -2.45 -0.05 0.00 -1.51 0.00 0.00 72.50 68.40 2yqq s THR 50 CO 0.27 0.15 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.88 2yqq s SER 51 N -2.04 1.32 0.00 8.08 1.04 -1.26 -5.13 113.70 115.70 2yqq s SER 51 Ca 0.19 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2yqq s SER 51 Cb -0.11 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2yqq s SER 51 CO 0.11 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2yqq n GLY 52 N -0.23 0.65 3.77 7.32 0.00 -1.26 -5.10 105.19 110.33 2yqq n GLY 52 Ca -0.07 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.09 2.40 -1.19 1.61 0.04 -1.26 -4.93 135.00 130.58 2yqq s PRO 53 Ca 0.00 1.23 -0.20 0.00 0.04 0.00 0.00 61.00 62.08 2yqq s PRO 53 Cb 0.00 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.69 2yqq s PRO 53 CO 0.00 -1.54 1.62 -1.12 0.04 0.00 0.00 177.00 176.00 2yqq s SER 54 N -3.16 6.71 -0.16 6.66 0.01 -1.26 -4.95 113.70 117.56 2yqq s SER 54 Ca 0.63 -2.08 -0.34 0.00 1.31 0.00 0.00 55.95 55.48 2yqq s SER 54 Cb -0.18 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.32 2yqq s SER 54 CO 0.52 -1.29 1.01 -1.20 0.41 0.00 0.00 173.24 172.68 2yqq n SER 55 N 8.54 0.37 0.00 2.44 7.64 -1.26 -5.34 113.62 126.02 2yqq n SER 55 Ca 0.43 0.92 0.00 0.00 1.01 0.00 0.00 58.87 61.23 2yqq n SER 55 Cb 0.48 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64