#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 0.28 -0.20 1.61 0.01 -1.26 -5.10 113.70 109.04 2yqq s SER 2 Ca 0.00 -1.09 -0.29 0.00 1.31 0.00 0.00 55.95 55.88 2yqq s SER 2 Cb 0.00 0.31 -0.07 0.00 0.21 0.00 0.00 66.02 66.47 2yqq s SER 2 CO 0.00 -0.74 2.18 -1.54 0.41 0.00 0.00 173.24 173.56 2yqq n SER 3 N -0.08 3.22 -4.41 2.44 3.41 -1.26 -4.93 113.62 112.01 2yqq n SER 3 Ca -0.08 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 2yqq n SER 3 Cb 0.63 -1.51 0.24 0.00 -0.26 0.00 0.00 64.21 63.31 2yqq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yqq n GLY 4 N 5.69 -2.21 3.81 5.00 0.00 -1.26 -5.04 105.19 111.18 2yqq n GLY 4 Ca 0.30 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2yqq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqq s SER 5 N -2.24 4.78 -0.22 1.61 0.01 -1.26 -5.14 113.70 111.24 2yqq s SER 5 Ca 0.65 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 2yqq s SER 5 Cb -0.22 -0.56 0.15 0.00 0.21 0.00 0.00 66.02 65.60 2yqq s SER 5 CO 0.66 -0.57 1.14 -0.55 0.41 0.00 0.00 173.24 174.32 2yqq s SER 6 N -4.01 -0.25 0.00 2.44 0.15 -1.26 -5.18 113.70 105.58 2yqq s SER 6 Ca 0.44 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2yqq s SER 6 Cb -0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2yqq s SER 6 CO 0.25 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2yqq n GLY 7 N 0.83 -0.50 3.19 9.45 0.00 -1.26 -5.15 105.19 111.75 2yqq n GLY 7 Ca -0.07 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 2.29 0.36 0.99 0.05 -1.26 -5.16 118.68 115.95 2yqq s LEU 8 Ca 0.00 -0.63 0.01 0.00 0.05 0.00 0.00 54.13 53.55 2yqq s LEU 8 Cb 0.00 -0.56 -0.03 0.00 -2.05 0.00 0.00 46.19 43.55 2yqq s LEU 8 CO 0.00 -0.06 0.57 -0.54 -0.55 0.00 0.00 176.35 175.76 2yqq s LYS 9 N -1.80 3.40 -0.20 1.48 1.02 -1.26 -5.09 119.74 117.30 2yqq s LYS 9 Ca -0.01 -0.38 -0.12 0.00 0.02 0.00 0.00 55.97 55.48 2yqq s LYS 9 Cb -0.10 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 2yqq s LYS 9 CO 0.03 0.08 0.21 0.00 -0.92 0.00 0.00 175.35 174.75 2yqq s SER 11 N 0.66 6.04 -0.60 0.00 0.01 -1.26 -4.96 113.70 113.58 2yqq s SER 11 Ca 0.12 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.15 2yqq s SER 11 Cb -0.13 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.62 2yqq s SER 11 CO 0.02 -1.84 0.87 0.42 0.41 0.00 0.00 173.24 173.12 2yqq s THR 12 N 6.29 4.49 0.49 1.44 -4.23 -1.26 -5.02 115.64 117.84 2yqq s THR 12 Ca 0.47 -0.33 -0.19 0.00 -1.18 0.00 0.00 61.69 60.45 2yqq s THR 12 Cb -0.10 -4.57 -0.13 0.00 1.34 0.00 0.00 72.50 69.04 2yqq s THR 12 CO 0.20 -1.24 0.16 0.55 -0.54 0.00 0.00 174.62 173.76 2yqq n VAL 13 N 5.88 0.89 -4.36 2.29 3.14 -1.26 -4.99 118.33 119.92 2yqq n VAL 13 Ca -0.04 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.65 2yqq n VAL 13 Cb 0.45 -0.23 -0.10 0.00 -1.06 0.00 0.00 33.84 32.90 2yqq n VAL 13 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2yqq s VAL 14 N -1.80 1.80 -0.21 1.55 -7.23 -1.26 -4.77 120.40 108.48 2yqq s VAL 14 Ca 0.61 -2.23 -0.41 0.00 -1.81 0.00 0.00 61.98 58.14 2yqq s VAL 14 Cb -0.53 -2.08 -0.18 0.00 0.56 0.00 0.00 36.38 34.15 2yqq s VAL 14 CO 0.62 -0.57 1.48 0.00 -0.31 0.00 0.00 175.10 176.31 2yqq n VAL 16 N 3.35 0.00 0.03 0.00 0.24 -1.14 -0.38 118.33 120.42 2yqq n VAL 16 Ca 0.25 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.53 2yqq n VAL 16 Cb 0.07 -0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.29 1.10 0.15 1.34 2.08 -1.26 -4.87 119.36 117.62 2yqq n ILE 17 Ca 0.00 0.31 0.06 0.00 0.56 0.00 0.00 62.75 63.68 2yqq n ILE 17 Cb 0.08 -1.66 -0.09 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 -1.75 -3.16 -4.34 0.00 4.77 0.48 -4.97 117.00 108.03 2yqq n LEU 19 Ca -0.01 -0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 55.45 2yqq n LEU 19 Cb 0.28 -1.91 -0.10 0.00 -2.33 0.00 0.00 43.42 39.36 2yqq n LEU 19 CO 0.25 0.19 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.48 2yqq s GLU 20 N -4.64 1.32 -0.87 3.23 0.41 -1.26 -4.72 118.70 112.17 2yqq s GLU 20 Ca 0.02 -1.61 -0.33 0.00 -0.41 0.00 0.00 54.97 52.64 2yqq s GLU 20 Cb -0.00 -0.99 -0.20 0.00 -1.78 0.00 0.00 34.13 31.16 2yqq s GLU 20 CO 0.39 0.11 2.58 1.63 -0.49 0.00 0.00 175.26 179.48 2yqq n LYS 21 N -0.39 0.12 -2.11 1.61 5.02 -1.26 -2.97 118.16 118.18 2yqq n LYS 21 Ca -0.08 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 2yqq n LYS 21 Cb 0.61 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 8.44 3.66 0.15 1.97 0.04 -1.26 -4.66 135.00 143.34 2yqq s PRO 22 Ca 1.30 1.53 -0.06 0.00 0.04 0.00 0.00 61.00 63.81 2yqq s PRO 22 Cb -1.19 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 29.25 2yqq s PRO 22 CO 0.49 -1.46 1.39 0.87 0.04 0.00 0.00 177.00 178.33 2yqq h LYS 23 N 11.25 0.58 -4.79 4.56 1.57 -1.71 -3.46 116.57 124.55 2yqq h LYS 23 Ca -0.33 -0.46 -0.38 0.00 -1.87 0.00 0.00 60.65 57.61 2yqq h LYS 23 Cb 1.15 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 2yqq h LYS 23 CO 1.02 1.09 -0.55 0.71 -0.57 0.00 0.00 179.45 181.14 2yqq s TYR 24 N -3.70 1.51 0.20 -1.35 1.51 -1.05 -5.06 117.35 109.41 2yqq s TYR 24 Ca -0.08 -1.48 0.04 0.00 -1.01 0.00 0.00 57.07 54.55 2yqq s TYR 24 Cb 0.10 -0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 41.19 2yqq s TYR 24 CO 0.87 -0.68 -0.04 1.03 -1.11 0.00 0.00 175.55 175.61 2yqq s ARG 25 N -3.80 1.23 -0.04 -0.62 0.52 -1.26 -1.68 118.95 113.31 2yqq s ARG 25 Ca 0.38 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 2yqq s ARG 25 Cb 0.05 -0.62 -0.05 0.00 0.52 0.00 0.00 34.95 34.85 2yqq s ARG 25 CO 0.19 -0.03 1.37 0.00 0.02 0.00 0.00 175.30 176.86 2yqq n PRO 27 N 5.68 0.49 0.01 0.00 -0.04 -1.26 0.10 135.00 139.98 2yqq n PRO 27 Ca 0.13 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2yqq n PRO 27 Cb 0.44 -1.01 -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 -0.47 2.67 0.53 0.55 0.00 -1.26 -4.84 120.51 117.69 2yqq n ALA 28 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2yqq n ALA 28 Cb 0.01 0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.04 -2.73 -4.08 0.00 5.12 0.11 -4.88 116.66 108.16 2yqq n ARG 30 Ca 0.02 0.53 -0.28 0.00 -1.93 0.00 0.00 57.85 56.19 2yqq n ARG 30 Cb 0.45 -4.38 -0.06 0.00 -1.16 0.00 0.00 32.46 27.31 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 -3.23 4.43 -0.01 1.55 -7.23 -1.26 -4.72 120.40 109.93 2yqq s VAL 31 Ca 0.14 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 2yqq s VAL 31 Cb -0.02 -3.19 -0.06 0.00 0.56 0.00 0.00 36.38 33.68 2yqq s VAL 31 CO 0.45 0.01 1.45 -2.16 -0.31 0.00 0.00 175.10 174.55 2yqq s PRO 32 N -2.71 4.26 -0.17 4.82 0.04 -1.26 -1.53 135.00 138.45 2yqq s PRO 32 Ca 0.30 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 2yqq s PRO 32 Cb -0.11 -3.63 0.07 0.00 0.04 0.00 0.00 34.50 30.87 2yqq s PRO 32 CO 0.22 -0.63 0.36 1.52 0.04 0.00 0.00 177.00 178.51 2yqq s TYR 33 N 2.67 -0.61 0.00 0.56 -0.85 -0.67 -2.86 117.35 115.58 2yqq s TYR 33 Ca 0.66 1.26 0.00 0.00 -0.52 0.00 0.00 57.07 58.47 2yqq s TYR 33 Cb -0.32 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.21 2yqq s TYR 33 CO 0.27 -0.39 0.74 0.00 -1.52 0.00 0.00 175.55 174.65 2yqq s SER 35 N -2.10 4.24 0.18 0.00 0.01 -1.26 -4.12 113.70 110.66 2yqq s SER 35 Ca 0.00 -1.52 -0.13 0.00 1.31 0.00 0.00 55.95 55.61 2yqq s SER 35 Cb 0.00 0.41 0.13 0.00 0.21 0.00 0.00 66.02 66.76 2yqq s SER 35 CO 0.00 -0.87 1.80 -0.37 0.41 0.00 0.00 173.24 174.21 2yqq h VAL 36 N 1.24 1.00 -0.96 3.43 -1.51 -1.99 -2.90 116.25 114.57 2yqq h VAL 36 Ca -0.42 -0.19 0.09 0.00 -1.23 0.00 0.00 66.70 64.94 2yqq h VAL 36 Cb 1.31 0.38 -0.12 0.00 -2.13 0.00 0.00 31.29 30.73 2yqq h VAL 36 CO 0.71 0.10 -0.57 0.52 -1.23 0.00 0.00 177.57 177.10 2yqq n VAL 37 N -4.84 -0.66 -0.02 7.19 0.31 -1.26 0.12 118.33 119.18 2yqq n VAL 37 Ca 0.04 2.33 0.06 0.00 -0.01 0.00 0.00 64.34 66.77 2yqq n VAL 37 Cb 0.11 -2.88 0.44 0.00 -0.91 0.00 0.00 33.84 30.60 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 0.52 0.62 0.04 0.00 3.57 0.11 -3.13 116.94 118.67 2yqq h PHE 39 Ca 0.18 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2yqq h PHE 39 Cb 0.07 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2yqq h PHE 39 CO -0.00 0.86 -0.05 0.00 -2.23 0.00 0.00 178.31 176.89 2yqq h ARG 40 N 0.42 -0.09 -0.99 1.11 3.08 0.14 0.33 114.38 118.38 2yqq h ARG 40 Ca 0.03 0.01 0.32 0.00 0.07 0.00 0.00 59.98 60.41 2yqq h ARG 40 Cb 0.92 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 30.84 2yqq h ARG 40 CO 0.08 -0.06 0.53 0.87 -1.07 0.00 0.00 179.97 180.32 2yqq h LYS 41 N -0.09 0.29 -0.34 0.04 1.57 -1.64 0.39 116.57 116.79 2yqq h LYS 41 Ca -0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2yqq h LYS 41 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2yqq h LYS 41 CO -0.01 0.19 0.01 1.25 -0.57 0.00 0.00 179.45 180.32 2yqq h HIS 42 N 0.30 0.64 -0.95 -1.35 -0.00 -1.39 -3.12 115.15 109.28 2yqq h HIS 42 Ca 0.72 -0.11 0.20 0.00 -0.00 0.00 0.00 60.37 61.18 2yqq h HIS 42 Cb 1.64 -0.17 -0.18 0.00 -0.00 0.00 0.00 27.41 28.70 2yqq h HIS 42 CO -0.04 0.70 -0.20 -0.22 -0.00 0.00 0.00 177.93 178.17 2yqq h LYS 43 N 0.40 0.00 -0.99 5.26 1.63 0.38 1.32 116.57 124.58 2yqq h LYS 43 Ca 0.10 -0.00 0.23 0.00 -0.85 0.00 0.00 60.65 60.13 2yqq h LYS 43 Cb 0.43 -0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.97 2yqq h LYS 43 CO 0.02 0.00 0.63 1.05 -3.45 0.00 0.00 179.45 177.70 2yqq h GLU 44 N 0.00 0.48 -0.18 1.90 4.11 -1.47 0.73 114.58 120.15 2yqq h GLU 44 Ca 0.47 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.80 2yqq h GLU 44 Cb 0.76 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 2yqq h GLU 44 CO -0.96 0.32 -0.18 0.00 0.07 0.00 0.00 179.01 178.26 2yqq n GLN 45 N -4.64 1.83 -2.36 1.06 -0.00 0.39 -4.99 117.38 108.68 2yqq n GLN 45 Ca 0.23 -3.08 -0.42 0.00 -0.00 0.00 0.00 57.00 53.74 2yqq n GLN 45 Cb 0.75 -1.72 -0.03 0.00 -0.00 0.00 0.00 30.24 29.25 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 4.56 5.06 1.17 0.00 0.01 -1.26 -5.00 114.94 119.47 2yqq s ASN 47 Ca 0.55 -2.06 -0.14 0.00 -0.71 0.00 0.00 52.86 50.50 2yqq s ASN 47 Cb -0.12 -1.75 0.21 0.00 0.41 0.00 0.00 41.25 40.00 2yqq s ASN 47 CO 0.26 -0.47 0.74 -0.81 -1.51 0.00 0.00 177.10 175.31 2yqq n PRO 48 N 4.46 -2.48 -1.76 -0.60 -0.04 -1.26 -4.82 135.00 128.50 2yqq n PRO 48 Ca -0.00 -1.19 -0.34 0.00 -0.04 0.00 0.00 63.50 61.93 2yqq n PRO 48 Cb 0.42 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 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 -4.69 2.26 0.17 0.54 1.03 -1.26 -4.93 118.70 111.82 2yqq s GLU 49 Ca 0.48 0.93 0.10 0.00 0.03 0.00 0.00 54.97 56.51 2yqq s GLU 49 Cb -0.05 -4.57 -0.04 0.00 -0.80 0.00 0.00 34.13 28.67 2yqq s GLU 49 CO 0.37 -3.21 -0.21 -0.08 -1.33 0.00 0.00 175.26 170.80 2yqq s THR 50 N 11.24 2.03 0.10 1.83 -1.32 -1.26 -5.05 115.64 123.21 2yqq s THR 50 Ca 0.85 -1.93 -0.23 0.00 -1.21 0.00 0.00 61.69 59.17 2yqq s THR 50 Cb -0.14 -1.93 -0.10 0.00 -1.51 0.00 0.00 72.50 68.81 2yqq s THR 50 CO 0.21 -0.21 1.71 0.28 -2.21 0.00 0.00 174.62 174.40 2yqq h SER 51 N 3.31 -0.18 0.00 8.08 0.02 -2.04 -3.47 113.55 119.27 2yqq h SER 51 Ca -0.44 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2yqq h SER 51 Cb 1.20 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2yqq h SER 51 CO 0.49 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.70 2yqq n GLY 52 N -1.18 1.61 3.77 -3.77 0.00 -1.26 -4.68 105.19 99.68 2yqq n GLY 52 Ca -0.06 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 2.97 -0.19 1.61 0.04 -1.26 -5.01 135.00 133.17 2yqq s PRO 53 Ca 0.00 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 2yqq s PRO 53 Cb 0.00 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 2yqq s PRO 53 CO 0.00 -1.12 0.01 0.43 0.04 0.00 0.00 177.00 176.36 2yqq n SER 54 N -2.07 1.85 -4.62 6.66 7.64 -1.26 -5.02 113.62 116.80 2yqq n SER 54 Ca 0.11 0.50 -0.31 0.00 1.01 0.00 0.00 58.87 60.18 2yqq n SER 54 Cb 0.52 -0.91 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 2yqq n SER 54 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yqq s SER 55 N -6.43 3.79 0.00 6.43 1.04 -1.26 -5.27 113.70 112.01 2yqq s SER 55 Ca -0.24 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.58 2yqq s SER 55 Cb 0.05 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2yqq s SER 55 CO 0.44 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.46