#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 6.47 -0.04 1.61 1.04 -1.26 -5.03 113.70 116.48 2yqq s SER 2 Ca 0.00 2.69 0.01 0.00 0.48 0.00 0.00 55.95 59.12 2yqq s SER 2 Cb 0.00 -2.64 0.02 0.00 0.10 0.00 0.00 66.02 63.50 2yqq s SER 2 CO 0.00 -0.75 -0.03 -0.94 0.98 0.00 0.00 173.24 172.51 2yqq s SER 3 N -0.62 0.93 0.00 7.02 1.04 -1.26 -5.07 113.70 115.74 2yqq s SER 3 Ca 0.54 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2yqq s SER 3 Cb -0.39 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.33 2yqq s SER 3 CO 0.51 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.26 2yqq n GLY 4 N 4.21 2.73 3.63 7.32 0.00 -1.26 -5.19 105.19 116.63 2yqq n GLY 4 Ca -0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 2yqq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqq s SER 5 N 0.00 -0.18 -0.05 1.61 0.15 -1.26 -5.18 113.70 108.79 2yqq s SER 5 Ca 0.00 0.26 -0.31 0.00 0.70 0.00 0.00 55.95 56.61 2yqq s SER 5 Cb 0.00 0.24 0.07 0.00 -1.71 0.00 0.00 66.02 64.62 2yqq s SER 5 CO 0.00 -0.11 0.69 -0.55 1.20 0.00 0.00 173.24 174.46 2yqq s SER 6 N -0.52 -0.65 0.00 5.45 0.15 -1.26 -5.15 113.70 111.72 2yqq s SER 6 Ca 0.05 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2yqq s SER 6 Cb -0.03 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2yqq s SER 6 CO -0.08 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2yqq n GLY 7 N 0.88 2.67 3.66 9.45 0.00 -1.26 -5.11 105.19 115.49 2yqq n GLY 7 Ca -0.19 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2yqq n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yqq s LEU 8 N 0.00 4.27 0.34 0.99 2.01 -1.26 -5.00 118.68 120.03 2yqq s LEU 8 Ca 0.00 2.01 -0.21 0.00 0.01 0.00 0.00 54.13 55.93 2yqq s LEU 8 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.56 2yqq s LEU 8 CO 0.00 -0.84 0.87 -0.75 1.01 0.00 0.00 176.35 176.64 2yqq s LYS 9 N 3.68 4.31 -0.00 1.70 2.20 -1.26 -5.08 119.74 125.28 2yqq s LYS 9 Ca 0.65 1.06 0.04 0.00 -0.36 0.00 0.00 55.97 57.37 2yqq s LYS 9 Cb -0.28 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2yqq s LYS 9 CO 0.23 0.17 -0.13 0.00 -0.36 0.00 0.00 175.35 175.26 2yqq s SER 11 N -0.45 5.90 -0.03 0.00 0.15 -1.26 -5.06 113.70 112.95 2yqq s SER 11 Ca 0.05 -2.87 -0.11 0.00 0.70 0.00 0.00 55.95 53.72 2yqq s SER 11 Cb -0.06 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 2yqq s SER 11 CO -0.00 -0.43 0.30 -0.89 1.20 0.00 0.00 173.24 173.42 2yqq s THR 12 N -0.09 5.22 0.13 6.45 2.01 -1.26 -5.10 115.64 123.01 2yqq s THR 12 Ca 0.18 0.52 0.07 0.00 0.31 0.00 0.00 61.69 62.77 2yqq s THR 12 Cb -0.15 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2yqq s THR 12 CO -0.06 0.54 -0.05 0.54 -0.69 0.00 0.00 174.62 174.90 2yqq s VAL 13 N -1.12 3.59 0.27 3.82 0.11 -1.26 -5.14 120.40 120.68 2yqq s VAL 13 Ca 0.22 -1.30 0.05 0.00 -2.93 0.00 0.00 61.98 58.01 2yqq s VAL 13 Cb -0.14 -2.74 -0.06 0.00 -1.53 0.00 0.00 36.38 31.91 2yqq s VAL 13 CO 0.11 0.02 -0.01 0.68 -3.33 0.00 0.00 175.10 172.57 2yqq s VAL 14 N -1.45 1.27 -0.27 2.04 -7.23 -1.26 -4.76 120.40 108.74 2yqq s VAL 14 Ca 0.25 -2.06 -0.43 0.00 -1.81 0.00 0.00 61.98 57.93 2yqq s VAL 14 Cb -0.10 -2.49 -0.19 0.00 0.56 0.00 0.00 36.38 34.16 2yqq s VAL 14 CO 0.16 -0.24 1.47 0.00 -0.31 0.00 0.00 175.10 176.18 2yqq n VAL 16 N 3.32 0.00 0.03 0.00 0.24 -1.13 -0.26 118.33 120.53 2yqq n VAL 16 Ca 0.26 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2yqq n VAL 16 Cb 0.04 -0.23 -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 -0.25 0.74 0.15 1.34 2.08 -1.26 -4.87 119.36 117.28 2yqq n ILE 17 Ca 0.00 0.24 0.06 0.00 0.56 0.00 0.00 62.75 63.61 2yqq n ILE 17 Cb 0.10 -1.56 -0.09 0.00 -0.75 0.00 0.00 39.64 37.34 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 -1.76 -3.29 -4.22 0.00 4.77 0.65 -4.97 117.00 108.18 2yqq n LEU 19 Ca -0.01 -0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 55.50 2yqq n LEU 19 Cb 0.29 -1.84 -0.10 0.00 -2.33 0.00 0.00 43.42 39.43 2yqq n LEU 19 CO 0.26 0.15 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.44 2yqq s GLU 20 N -4.38 0.97 -0.95 3.23 2.02 -1.26 -4.73 118.70 113.60 2yqq s GLU 20 Ca 0.07 -1.33 -0.32 0.00 0.02 0.00 0.00 54.97 53.41 2yqq s GLU 20 Cb -0.01 -0.57 -0.21 0.00 0.10 0.00 0.00 34.13 33.44 2yqq s GLU 20 CO 0.37 0.07 2.65 1.17 0.02 0.00 0.00 175.26 179.54 2yqq n LYS 21 N 0.10 0.03 -2.09 1.61 4.81 -1.26 -2.52 118.16 118.84 2yqq n LYS 21 Ca -0.13 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.89 2yqq n LYS 21 Cb 0.59 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 34.07 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 8.73 3.47 0.14 1.64 0.04 -1.26 -4.66 135.00 143.09 2yqq s PRO 22 Ca 1.34 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.63 2yqq s PRO 22 Cb -1.25 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 29.11 2yqq s PRO 22 CO 0.50 -1.70 1.45 0.87 0.04 0.00 0.00 177.00 178.16 2yqq h LYS 23 N 12.04 0.90 -4.93 4.56 1.57 -1.72 -3.46 116.57 125.53 2yqq h LYS 23 Ca -0.32 -0.51 -0.45 0.00 -1.87 0.00 0.00 60.65 57.50 2yqq h LYS 23 Cb 1.15 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 2yqq h LYS 23 CO 1.04 1.16 -0.55 0.71 -0.57 0.00 0.00 179.45 181.24 2yqq s TYR 24 N -4.27 1.66 0.10 -1.35 1.51 -1.02 -5.05 117.35 108.92 2yqq s TYR 24 Ca -0.11 -1.36 0.02 0.00 -1.01 0.00 0.00 57.07 54.61 2yqq s TYR 24 Cb 0.11 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 2yqq s TYR 24 CO 0.88 -0.48 -0.06 1.03 -1.11 0.00 0.00 175.55 175.81 2yqq s ARG 25 N -3.77 0.84 0.03 -0.62 0.52 -1.26 -1.56 118.95 113.13 2yqq s ARG 25 Ca 0.34 -1.34 -0.30 0.00 -0.52 0.00 0.00 55.73 53.91 2yqq s ARG 25 Cb 0.05 -0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.24 2yqq s ARG 25 CO 0.18 -0.02 1.58 0.00 0.02 0.00 0.00 175.30 177.05 2yqq n PRO 27 N 5.72 0.49 -0.00 0.00 -0.04 -1.26 0.04 135.00 139.95 2yqq n PRO 27 Ca 0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2yqq n PRO 27 Cb 0.42 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.45 1.96 0.60 0.55 0.00 -1.26 -4.83 120.51 117.09 2yqq n ALA 28 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.42 2yqq n ALA 28 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.87 -1.82 -3.92 0.00 5.12 0.11 -4.98 116.66 109.30 2yqq n ARG 30 Ca 0.02 0.35 -0.32 0.00 -1.93 0.00 0.00 57.85 55.96 2yqq n ARG 30 Cb 0.43 -3.56 -0.04 0.00 -1.16 0.00 0.00 32.46 28.12 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 -3.15 5.39 -0.04 1.55 -7.23 -1.25 -4.71 120.40 110.96 2yqq s VAL 31 Ca 0.09 -0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 2yqq s VAL 31 Cb -0.01 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.29 2yqq s VAL 31 CO 0.30 0.20 1.47 -2.16 -0.31 0.00 0.00 175.10 174.60 2yqq s PRO 32 N -2.31 4.24 -0.15 4.82 0.04 -1.26 -1.46 135.00 138.91 2yqq s PRO 32 Ca 0.32 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 63.31 2yqq s PRO 32 Cb -0.13 -3.73 0.07 0.00 0.04 0.00 0.00 34.50 30.75 2yqq s PRO 32 CO 0.25 -0.69 0.34 1.52 0.04 0.00 0.00 177.00 178.45 2yqq s TYR 33 N 3.08 -0.54 0.00 0.56 -0.85 -0.60 -2.84 117.35 116.15 2yqq s TYR 33 Ca 0.66 1.15 0.00 0.00 -0.52 0.00 0.00 57.07 58.36 2yqq s TYR 33 Cb -0.31 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.17 2yqq s TYR 33 CO 0.26 -0.36 0.72 0.00 -1.52 0.00 0.00 175.55 174.65 2yqq s SER 35 N -2.13 4.19 0.31 0.00 0.01 -1.26 -4.14 113.70 110.68 2yqq s SER 35 Ca 0.00 -1.42 0.04 0.00 1.31 0.00 0.00 55.95 55.88 2yqq s SER 35 Cb 0.00 0.09 0.65 0.00 0.21 0.00 0.00 66.02 66.97 2yqq s SER 35 CO 0.00 -0.73 1.87 1.62 0.41 0.00 0.00 173.24 176.41 2yqq h VAL 36 N 1.39 0.92 -0.59 3.43 3.04 -1.99 -2.69 116.25 119.76 2yqq h VAL 36 Ca -0.43 -0.30 0.06 0.00 -1.01 0.00 0.00 66.70 65.02 2yqq h VAL 36 Cb 1.28 -0.04 -0.09 0.00 -2.01 0.00 0.00 31.29 30.43 2yqq h VAL 36 CO 0.73 0.16 -0.57 0.58 -1.01 0.00 0.00 177.57 177.46 2yqq h VAL 37 N 0.89 0.00 0.00 1.51 2.07 -2.00 0.57 116.25 119.29 2yqq h VAL 37 Ca 0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 2yqq h VAL 37 Cb 0.50 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2yqq h VAL 37 CO -0.21 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.32 2yqq h PHE 39 N 0.00 0.95 -0.56 0.00 3.57 -0.01 -3.13 116.94 117.75 2yqq h PHE 39 Ca -0.00 -0.27 0.09 0.00 3.53 0.00 0.00 57.97 61.32 2yqq h PHE 39 Cb 0.10 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.56 2yqq h PHE 39 CO 0.00 1.04 0.18 0.00 -2.23 0.00 0.00 178.31 177.30 2yqq h ARG 40 N 0.59 0.33 -0.77 1.11 3.08 0.52 0.36 114.38 119.60 2yqq h ARG 40 Ca 0.06 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.15 2yqq h ARG 40 Cb 0.85 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 2yqq h ARG 40 CO 0.07 0.22 0.51 0.87 -1.07 0.00 0.00 179.97 180.57 2yqq h LYS 41 N 0.34 0.83 0.12 0.04 6.56 -1.51 -2.79 116.57 120.16 2yqq h LYS 41 Ca 0.28 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.82 2yqq h LYS 41 Cb 0.36 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 2yqq h LYS 41 CO -0.31 0.55 -0.06 1.25 -2.06 0.00 0.00 179.45 178.82 2yqq h HIS 42 N 0.86 -0.15 -1.13 -1.35 -0.00 -1.06 -3.30 115.15 109.02 2yqq h HIS 42 Ca 0.33 -0.00 0.37 0.00 -0.00 0.00 0.00 60.37 61.06 2yqq h HIS 42 Cb 0.19 0.05 -0.09 0.00 -0.00 0.00 0.00 27.41 27.56 2yqq h HIS 42 CO -0.00 -0.09 0.76 1.17 -0.00 0.00 0.00 177.93 179.76 2yqq n LYS 43 N -4.31 -0.02 -0.33 5.26 3.00 0.11 0.43 118.16 122.31 2yqq n LYS 43 Ca -0.02 0.87 0.08 0.00 -0.00 0.00 0.00 58.31 59.24 2yqq n LYS 43 Cb 0.06 -1.79 0.19 0.00 0.00 0.00 0.00 35.03 33.49 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 5.08 -1.57 -2.13 114.58 117.62 2yqq h GLU 44 Ca 0.65 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.94 2yqq h GLU 44 Cb 2.26 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 31.36 2yqq h GLU 44 CO -0.24 0.01 -0.62 1.04 -1.00 0.00 0.00 179.01 178.20 2yqq n GLN 45 N -5.52 0.75 -1.59 2.33 6.02 0.17 -5.07 117.38 114.47 2yqq n GLN 45 Ca 0.18 -2.40 -0.60 0.00 -0.01 0.00 0.00 57.00 54.17 2yqq n GLN 45 Cb 0.58 -0.86 -0.09 0.00 1.02 0.00 0.00 30.24 30.89 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yqq s ASN 47 N 4.53 4.87 0.00 0.00 4.22 -1.26 -4.96 114.94 122.34 2yqq s ASN 47 Ca 1.06 -2.11 0.00 0.00 -2.14 0.00 0.00 52.86 49.68 2yqq s ASN 47 Cb -1.23 -1.67 0.00 0.00 1.28 0.00 0.00 41.25 39.63 2yqq s ASN 47 CO 0.67 -0.41 0.40 -0.81 -2.04 0.00 0.00 177.10 174.91 2yqq n PRO 48 N 4.33 0.49 -0.20 3.55 -0.04 -1.26 -4.34 135.00 137.52 2yqq n PRO 48 Ca 0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2yqq n PRO 48 Cb 0.42 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 2yqq n PRO 48 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2yqq n GLU 49 N -0.23 -0.17 -1.59 0.54 0.00 -1.26 -4.33 120.64 113.60 2yqq n GLU 49 Ca 0.00 0.77 -0.47 0.00 0.00 0.00 0.00 57.16 57.46 2yqq n GLU 49 Cb 0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 31.44 30.32 2yqq n GLU 49 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2yqq n THR 50 N -4.68 1.32 -0.78 6.31 5.66 -1.26 -4.89 114.28 115.96 2yqq n THR 50 Ca 0.03 -0.33 -0.33 0.00 -3.05 0.00 0.00 64.05 60.37 2yqq n THR 50 Cb 0.16 -0.97 0.13 0.00 -1.55 0.00 0.00 70.33 68.09 2yqq n THR 50 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2yqq n SER 51 N 1.73 -1.94 0.00 1.09 7.64 -1.26 -4.79 113.62 116.10 2yqq n SER 51 Ca 0.13 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2yqq n SER 51 Cb 0.28 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2yqq n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yqq n GLY 52 N 1.43 -1.43 0.18 0.23 0.00 -1.26 -4.96 105.19 99.38 2yqq n GLY 52 Ca 0.07 0.51 0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 -0.87 1.61 0.13 -1.86 -3.02 132.00 127.98 2yqq h PRO 53 Ca 0.00 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.33 2yqq h PRO 53 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 2yqq h PRO 53 CO 0.00 0.42 -0.14 -1.13 -0.23 0.00 0.00 178.00 176.93 2yqq n SER 54 N -3.84 -0.24 -0.07 1.44 3.41 -1.26 -3.02 113.62 110.04 2yqq n SER 54 Ca -0.01 1.50 -0.07 0.00 -0.26 0.00 0.00 58.87 60.03 2yqq n SER 54 Cb 0.48 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 2yqq n SER 54 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yqq n SER 55 N -5.37 1.62 0.00 4.04 7.64 -1.23 -5.26 113.62 115.06 2yqq n SER 55 Ca 0.16 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2yqq n SER 55 Cb 0.52 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64