#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 6.32 -0.09 1.61 0.01 -1.26 -4.99 113.70 115.31 2yqq s SER 2 Ca 0.00 -0.95 -0.21 0.00 1.31 0.00 0.00 55.95 56.10 2yqq s SER 2 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2yqq s SER 2 CO 0.00 -1.66 0.59 -0.55 0.41 0.00 0.00 173.24 172.03 2yqq s SER 3 N 4.28 6.84 0.00 2.44 0.15 -1.26 -4.63 113.70 121.52 2yqq s SER 3 Ca 0.39 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2yqq s SER 3 Cb -0.05 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2yqq s SER 3 CO 0.03 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2yqq n GLY 4 N 3.15 0.63 3.36 9.45 0.00 -1.26 -5.01 105.19 115.50 2yqq n GLY 4 Ca -0.04 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2yqq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yqq n SER 5 N 2.50 -2.07 -4.87 1.61 7.64 -1.26 -4.98 113.62 112.19 2yqq n SER 5 Ca 0.00 -0.03 -0.34 0.00 1.01 0.00 0.00 58.87 59.51 2yqq n SER 5 Cb 0.00 -1.09 -0.05 0.00 -1.01 0.00 0.00 64.21 62.06 2yqq n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yqq s SER 6 N -2.03 6.63 0.00 6.43 0.15 -1.26 -4.99 113.70 118.63 2yqq s SER 6 Ca 0.59 0.81 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2yqq s SER 6 Cb -0.17 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2yqq s SER 6 CO 0.66 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.81 2yqq n GLY 7 N 0.58 4.11 4.31 9.45 0.00 -1.26 -4.93 105.19 117.46 2yqq n GLY 7 Ca -0.05 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 2yqq n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yqq n LEU 8 N 0.00 -0.80 -4.79 0.99 7.99 -1.26 -4.90 117.00 114.23 2yqq n LEU 8 Ca 0.00 -1.17 -0.22 0.00 -0.01 0.00 0.00 56.01 54.61 2yqq n LEU 8 Cb 0.00 -1.49 -0.05 0.00 -0.11 0.00 0.00 43.42 41.77 2yqq n LEU 8 CO 0.00 0.17 -0.19 -1.59 -1.51 0.00 0.00 177.39 174.27 2yqq s LYS 9 N -6.89 2.76 -1.75 3.23 0.00 -1.26 -4.58 119.74 111.26 2yqq s LYS 9 Ca 0.61 -1.17 -0.17 0.00 0.00 0.00 0.00 55.97 55.23 2yqq s LYS 9 Cb -0.35 -2.46 0.17 0.00 0.00 0.00 0.00 37.83 35.19 2yqq s LYS 9 CO 0.95 0.35 0.44 0.00 0.00 0.00 0.00 175.35 177.09 2yqq s SER 11 N -3.48 4.67 0.32 0.00 0.15 -1.26 -5.11 113.70 109.00 2yqq s SER 11 Ca 0.61 -2.17 0.07 0.00 0.70 0.00 0.00 55.95 55.16 2yqq s SER 11 Cb -0.36 -1.56 -0.02 0.00 -1.71 0.00 0.00 66.02 62.37 2yqq s SER 11 CO 0.99 -0.37 0.37 0.28 1.20 0.00 0.00 173.24 175.70 2yqq s THR 12 N 0.89 4.01 0.13 6.45 -1.32 -1.26 -5.14 115.64 119.40 2yqq s THR 12 Ca 0.11 -1.18 0.05 0.00 -1.21 0.00 0.00 61.69 59.47 2yqq s THR 12 Cb -0.19 -3.36 -0.04 0.00 -1.51 0.00 0.00 72.50 67.39 2yqq s THR 12 CO -0.09 -0.20 -0.13 0.54 -2.21 0.00 0.00 174.62 172.54 2yqq s VAL 13 N -2.20 1.28 0.18 5.08 0.11 -1.26 -5.16 120.40 118.42 2yqq s VAL 13 Ca 0.41 -1.82 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 2yqq s VAL 13 Cb -0.08 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2yqq s VAL 13 CO 0.29 -0.52 0.06 0.68 -3.33 0.00 0.00 175.10 172.27 2yqq s VAL 14 N -2.50 0.34 -0.11 2.04 -7.23 -1.26 -4.80 120.40 106.88 2yqq s VAL 14 Ca 0.11 -1.96 -0.41 0.00 -1.81 0.00 0.00 61.98 57.91 2yqq s VAL 14 Cb -0.03 -2.24 -0.20 0.00 0.56 0.00 0.00 36.38 34.48 2yqq s VAL 14 CO 0.02 -0.32 1.17 0.00 -0.31 0.00 0.00 175.10 175.67 2yqq n VAL 16 N 2.03 0.14 0.02 0.00 0.24 -1.03 -0.61 118.33 119.11 2yqq n VAL 16 Ca 0.22 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 2yqq n VAL 16 Cb 0.05 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -0.00 0.20 0.19 1.34 2.08 -1.26 -4.89 119.36 117.02 2yqq n ILE 17 Ca 0.01 0.06 0.05 0.00 0.56 0.00 0.00 62.75 63.44 2yqq n ILE 17 Cb 0.28 -1.16 -0.07 0.00 -0.75 0.00 0.00 39.64 37.94 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 -2.99 -4.50 0.00 4.77 0.22 -4.96 117.00 107.97 2yqq n LEU 19 Ca -0.00 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.40 2yqq n LEU 19 Cb 0.21 -2.01 -0.10 0.00 -2.33 0.00 0.00 43.42 39.19 2yqq n LEU 19 CO 0.20 0.31 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.55 2yqq s GLU 20 N -5.34 1.73 -0.62 3.23 0.41 -1.26 -4.68 118.70 112.17 2yqq s GLU 20 Ca 0.19 -1.85 -0.33 0.00 -0.41 0.00 0.00 54.97 52.57 2yqq s GLU 20 Cb -0.08 -1.65 -0.15 0.00 -1.78 0.00 0.00 34.13 30.46 2yqq s GLU 20 CO 0.43 0.20 2.40 1.17 -0.49 0.00 0.00 175.26 178.96 2yqq n LYS 21 N -0.70 0.55 -2.16 1.61 4.81 -1.26 -2.11 118.16 118.90 2yqq n LYS 21 Ca -0.05 0.09 -0.42 0.00 -0.87 0.00 0.00 58.31 57.06 2yqq n LYS 21 Cb 0.62 -2.19 -0.03 0.00 0.02 0.00 0.00 35.03 33.45 2yqq n LYS 21 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2yqq s PRO 22 N 7.53 4.23 0.06 1.64 0.04 -1.26 -4.66 135.00 142.58 2yqq s PRO 22 Ca 1.18 2.02 0.01 0.00 0.04 0.00 0.00 61.00 64.25 2yqq s PRO 22 Cb -0.95 -3.75 -0.25 0.00 0.04 0.00 0.00 34.50 29.59 2yqq s PRO 22 CO 0.47 -0.70 1.08 0.87 0.04 0.00 0.00 177.00 178.76 2yqq h LYS 23 N 8.52 0.15 -4.58 4.56 6.56 -1.71 -3.47 116.57 126.60 2yqq h LYS 23 Ca -0.37 -0.26 -0.32 0.00 -1.06 0.00 0.00 60.65 58.64 2yqq h LYS 23 Cb 1.17 0.10 -0.13 0.00 -0.57 0.00 0.00 32.23 32.80 2yqq h LYS 23 CO 0.93 1.06 -0.47 0.71 -2.06 0.00 0.00 179.45 179.62 2yqq s TYR 24 N -2.66 1.33 0.19 -1.35 1.51 -1.07 -5.06 117.35 110.23 2yqq s TYR 24 Ca -0.04 -1.43 0.03 0.00 -1.01 0.00 0.00 57.07 54.63 2yqq s TYR 24 Cb 0.08 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.38 2yqq s TYR 24 CO 0.85 -0.83 -0.04 1.03 -1.11 0.00 0.00 175.55 175.46 2yqq s ARG 25 N -3.71 1.18 -0.00 -0.62 0.52 -1.26 -1.97 118.95 113.09 2yqq s ARG 25 Ca 0.37 -1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 53.72 2yqq s ARG 25 Cb 0.04 -0.53 -0.05 0.00 0.52 0.00 0.00 34.95 34.93 2yqq s ARG 25 CO 0.19 -0.04 1.27 0.00 0.02 0.00 0.00 175.30 176.73 2yqq n PRO 27 N 4.87 0.49 0.01 0.00 -0.04 -1.26 -0.10 135.00 138.96 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 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.44 2.76 0.51 0.55 0.00 -1.26 -4.85 120.51 117.78 2yqq n ALA 28 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2yqq n ALA 28 Cb 0.01 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.03 -2.55 -3.91 0.00 3.00 0.86 -4.95 116.66 107.09 2yqq n ARG 30 Ca 0.02 0.49 -0.32 0.00 -0.01 0.00 0.00 57.85 58.02 2yqq n ARG 30 Cb 0.45 -4.20 -0.04 0.00 0.00 0.00 0.00 32.46 28.67 2yqq n ARG 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2yqq s VAL 31 N -3.21 5.42 -0.04 1.55 -7.23 -1.26 -4.67 120.40 110.96 2yqq s VAL 31 Ca 0.13 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 2yqq s VAL 31 Cb -0.02 -3.57 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 2yqq s VAL 31 CO 0.42 0.26 1.48 -2.16 -0.31 0.00 0.00 175.10 174.79 2yqq s PRO 32 N -2.15 4.23 -0.13 4.82 0.04 -1.26 -1.98 135.00 138.58 2yqq s PRO 32 Ca 0.30 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 2yqq s PRO 32 Cb -0.13 -3.75 0.06 0.00 0.04 0.00 0.00 34.50 30.72 2yqq s PRO 32 CO 0.22 -0.70 0.28 1.52 0.04 0.00 0.00 177.00 178.36 2yqq s TYR 33 N 3.17 -0.42 0.00 0.56 -0.85 -0.83 -2.47 117.35 116.51 2yqq s TYR 33 Ca 0.66 0.95 -0.05 0.00 -0.52 0.00 0.00 57.07 58.12 2yqq s TYR 33 Cb -0.31 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 2yqq s TYR 33 CO 0.26 -0.30 0.75 0.00 -1.52 0.00 0.00 175.55 174.73 2yqq s SER 35 N -2.74 4.23 0.23 0.00 0.01 -1.26 -4.14 113.70 110.03 2yqq s SER 35 Ca -0.03 -1.53 -0.07 0.00 1.31 0.00 0.00 55.95 55.63 2yqq s SER 35 Cb 0.00 0.41 0.27 0.00 0.21 0.00 0.00 66.02 66.91 2yqq s SER 35 CO 0.08 -0.87 1.86 1.62 0.41 0.00 0.00 173.24 176.34 2yqq h VAL 36 N 1.26 1.09 -0.23 3.43 3.04 -1.98 -2.96 116.25 119.88 2yqq h VAL 36 Ca -0.43 -0.34 0.02 0.00 -1.01 0.00 0.00 66.70 64.95 2yqq h VAL 36 Cb 1.31 0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 2yqq h VAL 36 CO 0.71 0.18 -0.20 0.58 -1.01 0.00 0.00 177.57 177.83 2yqq h VAL 37 N 0.98 0.00 -0.91 1.51 2.07 -1.99 0.73 116.25 118.64 2yqq h VAL 37 Ca 0.34 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.08 2yqq h VAL 37 Cb 0.08 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.78 2yqq h VAL 37 CO -0.14 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.06 2yqq h PHE 39 N 0.34 0.12 0.21 0.00 3.57 -0.30 -3.18 116.94 117.69 2yqq h PHE 39 Ca 0.47 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 2yqq h PHE 39 Cb 1.28 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 2yqq h PHE 39 CO -0.00 0.66 -0.14 0.00 -2.23 0.00 0.00 178.31 176.60 2yqq h ARG 40 N 0.07 -0.31 -0.92 1.11 3.08 0.46 0.55 114.38 118.41 2yqq h ARG 40 Ca -0.01 0.02 0.27 0.00 0.07 0.00 0.00 59.98 60.33 2yqq h ARG 40 Cb 1.06 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 2yqq h ARG 40 CO 0.08 -0.21 0.75 0.87 -1.07 0.00 0.00 179.97 180.40 2yqq h LYS 41 N -0.32 0.00 0.35 0.04 1.57 -1.64 -1.69 116.57 114.88 2yqq h LYS 41 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2yqq h LYS 41 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2yqq h LYS 41 CO 0.02 0.00 -0.17 1.25 -0.57 0.00 0.00 179.45 179.98 2yqq h HIS 42 N 0.00 -0.44 -1.01 -1.35 -0.00 -1.39 -3.25 115.15 107.71 2yqq h HIS 42 Ca 0.44 -0.01 0.39 0.00 -0.00 0.00 0.00 60.37 61.19 2yqq h HIS 42 Cb 1.94 0.15 -0.15 0.00 -0.00 0.00 0.00 27.41 29.34 2yqq h HIS 42 CO 0.00 -0.27 0.58 1.17 -0.00 0.00 0.00 177.93 179.41 2yqq n LYS 43 N -4.64 -0.05 -0.31 5.26 3.00 0.13 0.68 118.16 122.23 2yqq n LYS 43 Ca -0.06 1.21 0.13 0.00 -0.00 0.00 0.00 58.31 59.59 2yqq n LYS 43 Cb 0.19 -2.23 0.28 0.00 0.00 0.00 0.00 35.03 33.27 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 0.09 0.00 1.64 4.39 -1.55 -1.06 114.58 118.09 2yqq h GLU 44 Ca 0.77 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.44 2yqq h GLU 44 Cb 2.19 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 30.76 2yqq h GLU 44 CO -0.61 0.06 -0.46 0.00 -1.16 0.00 0.00 179.01 176.84 2yqq n GLN 45 N -5.36 1.12 -1.65 2.33 10.64 0.21 -5.02 117.38 119.66 2yqq n GLN 45 Ca 0.22 -2.72 -0.30 0.00 -1.83 0.00 0.00 57.00 52.37 2yqq n GLN 45 Cb 0.71 -1.23 -0.04 0.00 -0.86 0.00 0.00 30.24 28.81 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 11.12 5.85 1.14 0.00 3.84 -1.26 -4.99 114.94 130.64 2yqq s ASN 47 Ca 0.91 -1.83 -0.12 0.00 0.21 0.00 0.00 52.86 52.03 2yqq s ASN 47 Cb -0.15 -2.07 0.17 0.00 -0.55 0.00 0.00 41.25 38.65 2yqq s ASN 47 CO 0.19 -0.73 0.61 -0.81 -2.79 0.00 0.00 177.10 173.57 2yqq n PRO 48 N 5.02 -2.22 -5.27 0.43 -0.04 -1.26 -4.91 135.00 126.74 2yqq n PRO 48 Ca -0.10 -0.98 -0.31 0.00 -0.04 0.00 0.00 63.50 62.07 2yqq n PRO 48 Cb 0.41 -0.92 -0.16 0.00 -0.04 0.00 0.00 33.50 32.78 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 -4.39 2.52 0.59 0.54 8.01 -1.26 -5.03 118.70 119.68 2yqq s GLU 49 Ca 0.40 -0.91 -0.18 0.00 0.01 0.00 0.00 54.97 54.29 2yqq s GLU 49 Cb -0.04 -2.15 -0.12 0.00 -4.31 0.00 0.00 34.13 27.51 2yqq s GLU 49 CO 0.31 0.40 0.06 0.25 0.01 0.00 0.00 175.26 176.28 2yqq n THR 50 N 2.91 0.79 -4.66 3.63 -2.24 -1.26 -5.00 114.28 108.45 2yqq n THR 50 Ca -0.17 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.82 2yqq n THR 50 Cb 0.52 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 2yqq n THR 50 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2yqq s SER 51 N -1.10 3.73 0.00 3.42 0.01 -1.26 -4.98 113.70 113.52 2yqq s SER 51 Ca 0.59 -1.55 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2yqq s SER 51 Cb -0.44 0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2yqq s SER 51 CO 0.64 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2yqq n GLY 52 N -1.08 1.33 0.20 3.44 0.00 -1.26 -4.93 105.19 102.89 2yqq n GLY 52 Ca -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 2yqq n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqq h PRO 53 N 0.00 0.34 -5.13 1.61 0.13 -2.04 -3.45 132.00 123.46 2yqq h PRO 53 Ca 0.00 -0.18 -0.40 0.00 -0.87 0.00 0.00 66.00 64.54 2yqq h PRO 53 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2yqq h PRO 53 CO 0.00 0.73 -0.65 0.45 -0.23 0.00 0.00 178.00 178.31 2yqq s SER 54 N -6.88 1.95 -0.15 1.44 0.15 -1.26 -5.08 113.70 103.88 2yqq s SER 54 Ca -0.05 -1.26 -0.15 0.00 0.70 0.00 0.00 55.95 55.19 2yqq s SER 54 Cb 0.13 -0.01 -0.24 0.00 -1.71 0.00 0.00 66.02 64.19 2yqq s SER 54 CO 0.79 -0.54 0.37 0.77 1.20 0.00 0.00 173.24 175.84 2yqq h SER 55 N 2.38 0.25 0.00 5.45 4.64 -2.00 -3.46 113.55 120.81 2yqq h SER 55 Ca -0.39 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.16 2yqq h SER 55 Cb 1.23 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2yqq h SER 55 CO 0.65 1.65 0.00 0.61 -0.87 0.00 0.00 176.83 178.87