#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqq n SER 2 N 0.00 2.48 -3.61 1.61 2.88 -1.26 -4.99 113.62 110.74 2yqq n SER 2 Ca 0.00 1.17 -0.26 0.00 -1.33 0.00 0.00 58.87 58.44 2yqq n SER 2 Cb 0.00 -1.41 -0.17 0.00 -0.75 0.00 0.00 64.21 61.88 2yqq n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yqq s SER 3 N -0.02 2.51 -0.44 -3.46 0.01 -1.26 -5.02 113.70 106.02 2yqq s SER 3 Ca 0.63 -0.70 0.06 0.00 1.31 0.00 0.00 55.95 57.25 2yqq s SER 3 Cb -0.64 -0.27 0.32 0.00 0.21 0.00 0.00 66.02 65.64 2yqq s SER 3 CO 0.55 -0.36 1.17 0.61 0.41 0.00 0.00 173.24 175.62 2yqq n GLY 4 N 5.27 0.26 2.44 3.44 0.00 -1.26 -5.00 105.19 110.34 2yqq n GLY 4 Ca -0.07 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 0.38 7.61 -4.39 1.61 7.64 -1.26 -4.90 113.62 120.32 2yqq n SER 5 Ca 0.04 -3.76 -0.45 0.00 1.01 0.00 0.00 58.87 55.71 2yqq n SER 5 Cb 0.71 -1.01 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 2yqq n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yqq s SER 6 N -1.55 6.27 0.13 6.43 1.04 -1.26 -4.99 113.70 119.76 2yqq s SER 6 Ca 0.61 -1.55 -0.23 0.00 0.48 0.00 0.00 55.95 55.26 2yqq s SER 6 Cb 0.48 -2.32 0.06 0.00 0.10 0.00 0.00 66.02 64.35 2yqq s SER 6 CO -0.10 -1.11 0.58 -0.83 0.98 0.00 0.00 173.24 172.76 2yqq s GLY 7 N 3.53 -0.56 -0.04 7.32 0.00 -1.26 -5.17 107.32 111.13 2yqq s GLY 7 Ca 0.15 0.51 -0.05 0.00 0.00 0.00 0.00 44.72 45.34 2yqq s GLY 7 CO 0.04 0.19 0.14 1.08 0.00 0.00 0.00 173.10 174.54 2yqq s LEU 8 N -2.55 1.50 -0.50 0.66 1.43 -1.26 -5.05 118.68 112.91 2yqq s LEU 8 Ca -0.00 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 2yqq s LEU 8 Cb -0.01 0.50 0.44 0.00 0.03 0.00 0.00 46.19 47.15 2yqq s LEU 8 CO -0.10 -0.10 1.57 2.29 0.23 0.00 0.00 176.35 180.25 2yqq n LYS 9 N 2.77 3.18 -4.09 1.70 2.85 -1.26 -5.01 118.16 118.29 2yqq n LYS 9 Ca -0.14 -3.82 -0.34 0.00 -1.05 0.00 0.00 58.31 52.96 2yqq n LYS 9 Cb 0.58 -2.28 -0.07 0.00 -0.65 0.00 0.00 35.03 32.62 2yqq n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2yqq s SER 11 N -1.56 3.32 -0.33 0.00 1.04 -1.26 -5.10 113.70 109.81 2yqq s SER 11 Ca 0.21 -0.44 -0.24 0.00 0.48 0.00 0.00 55.95 55.96 2yqq s SER 11 Cb -0.12 -0.86 0.01 0.00 0.10 0.00 0.00 66.02 65.15 2yqq s SER 11 CO 0.12 0.26 0.83 0.28 0.98 0.00 0.00 173.24 175.71 2yqq s THR 12 N -0.26 4.72 0.47 2.02 -1.32 -1.26 -5.04 115.64 114.96 2yqq s THR 12 Ca -0.00 1.15 -0.13 0.00 -1.21 0.00 0.00 61.69 61.50 2yqq s THR 12 Cb -0.13 -4.22 -0.07 0.00 -1.51 0.00 0.00 72.50 66.58 2yqq s THR 12 CO 0.03 -0.37 0.88 0.54 -2.21 0.00 0.00 174.62 173.49 2yqq s VAL 13 N 3.14 4.69 0.24 5.08 0.11 -1.26 -5.09 120.40 127.31 2yqq s VAL 13 Ca 0.34 0.85 0.12 0.00 -2.93 0.00 0.00 61.98 60.36 2yqq s VAL 13 Cb -0.13 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.92 2yqq s VAL 13 CO 0.15 -0.65 -0.21 0.68 -3.33 0.00 0.00 175.10 171.73 2yqq s VAL 14 N -2.55 2.39 -0.16 2.04 -7.23 -1.26 -4.65 120.40 108.98 2yqq s VAL 14 Ca 0.54 -2.24 -0.41 0.00 -1.81 0.00 0.00 61.98 58.06 2yqq s VAL 14 Cb -0.10 -2.21 -0.19 0.00 0.56 0.00 0.00 36.38 34.44 2yqq s VAL 14 CO 0.34 -0.29 1.37 0.00 -0.31 0.00 0.00 175.10 176.20 2yqq n VAL 16 N 2.84 0.00 0.02 0.00 0.24 -1.11 0.46 118.33 120.79 2yqq n VAL 16 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2yqq n VAL 16 Cb 0.07 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 -0.33 0.46 0.37 1.34 2.08 -1.26 -4.86 119.36 117.15 2yqq n ILE 17 Ca 0.00 0.15 0.04 0.00 0.56 0.00 0.00 62.75 63.50 2yqq n ILE 17 Cb 0.05 -1.45 -0.05 0.00 -0.75 0.00 0.00 39.64 37.44 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 -1.27 -4.42 -4.21 0.00 4.32 0.17 -4.92 117.00 106.67 2yqq n LEU 19 Ca 0.01 -0.57 -0.14 0.00 -0.02 0.00 0.00 56.01 55.29 2yqq n LEU 19 Cb 0.15 -2.78 -0.10 0.00 -1.62 0.00 0.00 43.42 39.07 2yqq n LEU 19 CO 0.18 0.21 -0.41 -1.61 -1.22 0.00 0.00 177.39 174.53 2yqq s GLU 20 N -4.68 0.94 -0.83 3.23 2.02 -1.26 -4.63 118.70 113.49 2yqq s GLU 20 Ca 0.19 -1.29 -0.33 0.00 0.02 0.00 0.00 54.97 53.56 2yqq s GLU 20 Cb -0.03 -0.57 -0.19 0.00 0.10 0.00 0.00 34.13 33.44 2yqq s GLU 20 CO 0.63 0.08 2.55 1.17 0.02 0.00 0.00 175.26 179.70 2yqq n LYS 21 N 0.22 0.16 -2.17 1.61 4.81 -1.26 -2.16 118.16 119.37 2yqq n LYS 21 Ca -0.13 0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 2yqq n LYS 21 Cb 0.59 -1.74 -0.03 0.00 0.02 0.00 0.00 35.03 33.87 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 8.27 4.26 0.02 1.64 0.04 -1.26 -4.66 135.00 143.31 2yqq s PRO 22 Ca 1.28 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 64.23 2yqq s PRO 22 Cb -1.18 -3.64 -0.33 0.00 0.04 0.00 0.00 34.50 29.40 2yqq s PRO 22 CO 0.50 -0.64 0.95 0.87 0.04 0.00 0.00 177.00 178.72 2yqq h LYS 23 N 8.12 0.44 -4.95 4.56 1.57 -1.66 -3.46 116.57 121.19 2yqq h LYS 23 Ca -0.38 -0.75 -0.41 0.00 -1.87 0.00 0.00 60.65 57.24 2yqq h LYS 23 Cb 1.18 0.28 -0.14 0.00 0.08 0.00 0.00 32.23 33.63 2yqq h LYS 23 CO 0.92 1.35 -0.59 0.71 -0.57 0.00 0.00 179.45 181.27 2yqq s TYR 24 N -2.61 1.65 0.02 -1.35 1.51 -0.99 -5.05 117.35 110.53 2yqq s TYR 24 Ca -0.09 -1.21 0.02 0.00 -1.01 0.00 0.00 57.07 54.78 2yqq s TYR 24 Cb 0.05 -0.97 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 2yqq s TYR 24 CO 0.91 -0.33 -0.07 1.03 -1.11 0.00 0.00 175.55 175.97 2yqq s ARG 25 N -3.92 0.55 -0.02 -0.62 0.52 -1.26 -1.86 118.95 112.34 2yqq s ARG 25 Ca 0.36 -0.45 -0.37 0.00 -0.52 0.00 0.00 55.73 54.74 2yqq s ARG 25 Cb 0.07 -0.46 -0.16 0.00 0.52 0.00 0.00 34.95 34.92 2yqq s ARG 25 CO 0.15 0.11 1.54 0.00 0.02 0.00 0.00 175.30 177.12 2yqq n PRO 27 N 3.83 0.49 0.00 0.00 -0.04 -1.26 -0.45 135.00 137.56 2yqq n PRO 27 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2yqq n PRO 27 Cb 0.20 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.56 2.77 0.14 0.55 0.00 -1.26 -4.85 120.51 117.30 2yqq n ALA 28 Ca 0.01 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2yqq n ALA 28 Cb 0.01 0.00 0.05 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 -2.94 -2.35 -3.66 0.00 5.12 0.40 -4.92 116.66 108.31 2yqq n ARG 30 Ca 0.00 0.30 -0.34 0.00 -1.93 0.00 0.00 57.85 55.88 2yqq n ARG 30 Cb 0.61 -3.69 -0.05 0.00 -1.16 0.00 0.00 32.46 28.16 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 -3.13 5.19 -0.09 1.55 -7.23 -1.26 -4.69 120.40 110.74 2yqq s VAL 31 Ca 0.00 0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 60.18 2yqq s VAL 31 Cb -0.00 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 2yqq s VAL 31 CO 0.26 0.31 1.52 -2.16 -0.31 0.00 0.00 175.10 174.72 2yqq s PRO 32 N -1.87 4.20 -0.09 4.82 0.04 -1.26 -1.97 135.00 138.86 2yqq s PRO 32 Ca 0.31 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 2yqq s PRO 32 Cb -0.14 -3.91 0.04 0.00 0.04 0.00 0.00 34.50 30.53 2yqq s PRO 32 CO 0.18 -0.80 0.21 1.52 0.04 0.00 0.00 177.00 178.15 2yqq s TYR 33 N 3.84 -0.26 -0.00 0.56 -0.85 -0.78 -2.74 117.35 117.12 2yqq s TYR 33 Ca 0.67 0.65 -0.03 0.00 -0.52 0.00 0.00 57.07 57.84 2yqq s TYR 33 Cb -0.29 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.06 2yqq s TYR 33 CO 0.24 -0.18 0.67 0.00 -1.52 0.00 0.00 175.55 174.76 2yqq n SER 35 N -2.46 2.93 -0.18 0.00 7.64 -1.26 -3.98 113.62 116.31 2yqq n SER 35 Ca -0.01 -2.66 -0.08 0.00 1.01 0.00 0.00 58.87 57.12 2yqq n SER 35 Cb 0.05 0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.47 2yqq n SER 35 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2yqq h VAL 36 N 1.08 1.20 -0.12 0.44 2.07 -1.99 -3.12 116.25 115.81 2yqq h VAL 36 Ca -0.31 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2yqq h VAL 36 Cb 0.98 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2yqq h VAL 36 CO 0.52 0.23 -0.09 0.58 0.02 0.00 0.00 177.57 178.83 2yqq h VAL 37 N 0.68 0.00 -1.10 2.57 2.07 -1.99 0.76 116.25 119.24 2yqq h VAL 37 Ca 0.17 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.99 2yqq h VAL 37 Cb 0.14 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.82 2yqq h VAL 37 CO -0.02 0.00 0.71 0.00 0.02 0.00 0.00 177.57 178.29 2yqq h PHE 39 N 0.30 0.41 0.23 0.00 3.57 -0.22 -3.18 116.94 118.06 2yqq h PHE 39 Ca 0.63 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 2yqq h PHE 39 Cb 1.75 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2yqq h PHE 39 CO -0.00 0.84 -0.27 0.00 -2.23 0.00 0.00 178.31 176.64 2yqq h ARG 40 N 0.24 -0.49 -1.04 1.11 3.08 0.63 0.32 114.38 118.24 2yqq h ARG 40 Ca -0.00 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.35 2yqq h ARG 40 Cb 1.11 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 31.18 2yqq h ARG 40 CO 0.10 -0.33 0.68 0.87 -1.07 0.00 0.00 179.97 180.22 2yqq h LYS 41 N -0.51 0.35 -0.15 0.04 1.57 -1.62 0.55 116.57 116.80 2yqq h LYS 41 Ca -0.03 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2yqq h LYS 41 Cb 0.45 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2yqq h LYS 41 CO -0.05 0.23 -0.12 1.25 -0.57 0.00 0.00 179.45 180.19 2yqq h HIS 42 N 0.36 0.41 -0.99 -1.35 -0.00 -1.36 -3.13 115.15 109.09 2yqq h HIS 42 Ca 0.58 -0.12 0.27 0.00 -0.00 0.00 0.00 60.37 61.11 2yqq h HIS 42 Cb 1.55 -0.09 -0.13 0.00 -0.00 0.00 0.00 27.41 28.74 2yqq h HIS 42 CO -0.00 0.72 0.56 -0.22 -0.00 0.00 0.00 177.93 178.99 2yqq h LYS 43 N -0.02 0.45 -1.06 5.26 3.64 0.20 0.58 116.57 125.62 2yqq h LYS 43 Ca 0.03 -0.03 0.28 0.00 -1.27 0.00 0.00 60.65 59.66 2yqq h LYS 43 Cb 0.64 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.26 2yqq h LYS 43 CO 0.03 0.30 0.69 1.05 -2.27 0.00 0.00 179.45 179.25 2yqq h GLU 44 N 0.47 0.33 0.00 1.90 4.11 -1.44 -0.98 114.58 118.97 2yqq h GLU 44 Ca 0.67 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 60.04 2yqq h GLU 44 Cb 1.38 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 2yqq h GLU 44 CO -0.53 0.22 -0.49 1.04 0.07 0.00 0.00 179.01 179.31 2yqq n GLN 45 N -4.59 0.91 -1.90 1.06 6.02 0.14 -5.03 117.38 113.99 2yqq n GLN 45 Ca 0.26 -2.47 -0.40 0.00 -0.01 0.00 0.00 57.00 54.38 2yqq n GLN 45 Cb 0.93 -1.05 -0.03 0.00 1.02 0.00 0.00 30.24 31.11 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 8.12 5.19 1.19 0.00 -0.87 -1.26 -5.00 114.94 122.31 2yqq s ASN 47 Ca 0.81 -2.00 -0.16 0.00 -1.57 0.00 0.00 52.86 49.94 2yqq s ASN 47 Cb -0.19 -1.80 0.23 0.00 -0.02 0.00 0.00 41.25 39.47 2yqq s ASN 47 CO 0.28 -0.51 0.83 -0.81 -2.57 0.00 0.00 177.10 174.32 2yqq n PRO 48 N 4.56 -2.65 -4.16 -0.60 -0.04 -1.26 -4.89 135.00 125.96 2yqq n PRO 48 Ca -0.02 -1.33 -0.20 0.00 -0.04 0.00 0.00 63.50 61.90 2yqq n PRO 48 Cb 0.42 -1.25 -0.16 0.00 -0.04 0.00 0.00 33.50 32.46 2yqq n PRO 48 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2yqq s GLU 49 N -4.89 0.87 -0.91 0.54 -1.05 -1.26 -5.01 118.70 106.99 2yqq s GLU 49 Ca 0.54 -0.11 -0.24 0.00 -0.15 0.00 0.00 54.97 55.00 2yqq s GLU 49 Cb -0.05 -0.89 0.04 0.00 -0.44 0.00 0.00 34.13 32.80 2yqq s GLU 49 CO 0.42 -0.09 1.37 0.95 0.95 0.00 0.00 175.26 178.86 2yqq s THR 50 N 0.97 3.87 -0.93 1.83 -4.23 -1.26 -4.95 115.64 110.94 2yqq s THR 50 Ca -0.10 -0.33 -0.24 0.00 -1.18 0.00 0.00 61.69 59.84 2yqq s THR 50 Cb -0.14 -5.00 0.04 0.00 1.34 0.00 0.00 72.50 68.75 2yqq s THR 50 CO -0.00 -1.89 1.39 -0.44 -0.54 0.00 0.00 174.62 173.14 2yqq s SER 51 N 4.46 6.39 0.00 3.99 0.01 -1.26 -4.86 113.70 122.43 2yqq s SER 51 Ca 0.41 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2yqq s SER 51 Cb -0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2yqq s SER 51 CO -0.00 -1.62 0.00 0.61 0.41 0.00 0.00 173.24 172.64 2yqq n GLY 52 N 6.38 -1.85 3.67 3.44 0.00 -1.26 -4.94 105.19 110.63 2yqq n GLY 52 Ca 0.23 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.33 -0.61 1.61 0.04 -1.26 -4.95 135.00 130.16 2yqq s PRO 53 Ca 0.00 0.49 -0.28 0.00 0.04 0.00 0.00 61.00 61.25 2yqq s PRO 53 Cb 0.00 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.84 2yqq s PRO 53 CO 0.00 -2.80 1.23 0.45 0.04 0.00 0.00 177.00 175.92 2yqq s SER 54 N -3.45 6.37 -0.20 6.66 0.15 -1.26 -4.96 113.70 117.00 2yqq s SER 54 Ca 0.66 0.02 -0.15 0.00 0.70 0.00 0.00 55.95 57.17 2yqq s SER 54 Cb -0.19 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.63 2yqq s SER 54 CO 0.58 -1.57 0.51 -0.94 1.20 0.00 0.00 173.24 173.02 2yqq s SER 55 N 3.23 -0.60 0.00 5.45 1.04 -1.26 -5.27 113.70 116.29 2yqq s SER 55 Ca 0.42 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.93 2yqq s SER 55 Cb -0.08 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2yqq s SER 55 CO 0.23 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.87