#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 0.43 -0.04 1.61 0.01 -1.26 -5.16 113.70 109.30 2yqq s SER 2 Ca 0.00 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 2yqq s SER 2 Cb 0.00 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2yqq s SER 2 CO 0.00 -0.14 0.02 -0.55 0.41 0.00 0.00 173.24 172.98 2yqq s SER 3 N -0.92 5.30 0.47 2.44 0.15 -1.26 -5.12 113.70 114.75 2yqq s SER 3 Ca -0.07 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2yqq s SER 3 Cb -0.06 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2yqq s SER 3 CO -0.00 0.32 0.01 0.61 1.20 0.00 0.00 173.24 175.38 2yqq n GLY 4 N 1.68 3.60 2.90 9.45 0.00 -1.26 -5.12 105.19 116.45 2yqq n GLY 4 Ca -0.16 -2.36 -0.30 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.56 4.30 -0.42 1.61 0.15 -1.26 -5.08 113.70 109.45 2yqq s SER 5 Ca 0.01 -2.47 -0.17 0.00 0.70 0.00 0.00 55.95 54.02 2yqq s SER 5 Cb -0.00 -1.42 0.02 0.00 -1.71 0.00 0.00 66.02 62.91 2yqq s SER 5 CO 0.00 -0.31 0.44 -0.94 1.20 0.00 0.00 173.24 173.63 2yqq s SER 6 N 0.49 6.20 0.00 5.45 1.04 -1.26 -4.98 113.70 120.64 2yqq s SER 6 Ca 0.14 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2yqq s SER 6 Cb -0.22 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2yqq s SER 6 CO -0.06 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2yqq n GLY 7 N 5.09 0.88 3.96 7.32 0.00 -1.26 -5.18 105.19 116.01 2yqq n GLY 7 Ca -0.07 0.59 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 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 3.47 0.18 0.99 2.34 -1.26 -5.12 118.68 119.28 2yqq s LEU 8 Ca 0.00 0.14 0.11 0.00 0.06 0.00 0.00 54.13 54.44 2yqq s LEU 8 Cb 0.00 -3.02 -0.04 0.00 -0.56 0.00 0.00 46.19 42.56 2yqq s LEU 8 CO 0.00 -0.91 -0.24 -1.59 -1.06 0.00 0.00 176.35 172.54 2yqq s LYS 9 N -4.65 1.47 -0.28 1.48 0.00 -1.26 -5.14 119.74 111.36 2yqq s LYS 9 Ca 0.53 -1.48 -0.23 0.00 0.00 0.00 0.00 55.97 54.79 2yqq s LYS 9 Cb -0.10 -1.83 0.13 0.00 0.00 0.00 0.00 37.83 36.04 2yqq s LYS 9 CO 0.38 0.40 1.05 0.00 0.00 0.00 0.00 175.35 177.19 2yqq s SER 11 N 0.46 6.99 0.19 0.00 0.15 -1.26 -5.02 113.70 115.20 2yqq s SER 11 Ca 0.01 1.19 -0.31 0.00 0.70 0.00 0.00 55.95 57.54 2yqq s SER 11 Cb -0.05 -2.42 -0.09 0.00 -1.71 0.00 0.00 66.02 61.75 2yqq s SER 11 CO -0.09 -0.16 1.41 0.28 1.20 0.00 0.00 173.24 175.88 2yqq s THR 12 N 1.02 2.97 0.05 6.45 -1.32 -1.26 -5.02 115.64 118.53 2yqq s THR 12 Ca 0.38 0.76 0.04 0.00 -1.21 0.00 0.00 61.69 61.66 2yqq s THR 12 Cb -0.18 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.30 2yqq s THR 12 CO 0.18 0.09 -0.12 0.54 -2.21 0.00 0.00 174.62 173.10 2yqq s VAL 13 N 0.49 0.89 0.16 5.08 0.11 -1.26 -5.16 120.40 120.70 2yqq s VAL 13 Ca 0.62 -1.13 0.09 0.00 -2.93 0.00 0.00 61.98 58.62 2yqq s VAL 13 Cb -0.39 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2yqq s VAL 13 CO 0.37 -0.22 -0.19 0.68 -3.33 0.00 0.00 175.10 172.40 2yqq s VAL 14 N -1.18 1.82 -0.22 2.04 -7.23 -1.26 -4.74 120.40 109.63 2yqq s VAL 14 Ca -0.04 -1.86 -0.32 0.00 -1.81 0.00 0.00 61.98 57.95 2yqq s VAL 14 Cb -0.09 -1.81 -0.14 0.00 0.56 0.00 0.00 36.38 34.90 2yqq s VAL 14 CO 0.01 -0.26 1.01 0.00 -0.31 0.00 0.00 175.10 175.55 2yqq n VAL 16 N 2.19 0.00 0.03 0.00 0.24 -1.10 -0.41 118.33 119.28 2yqq n VAL 16 Ca 0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.48 2yqq n VAL 16 Cb -0.00 -0.18 -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 -0.33 1.24 0.12 1.34 2.08 -1.26 -4.87 119.36 117.68 2yqq n ILE 17 Ca 0.00 0.37 0.08 0.00 0.56 0.00 0.00 62.75 63.76 2yqq n ILE 17 Cb 0.06 -1.67 -0.12 0.00 -0.75 0.00 0.00 39.64 37.16 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 -1.93 -3.27 -4.20 0.00 4.77 0.45 -4.97 117.00 107.86 2yqq n LEU 19 Ca -0.02 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.52 2yqq n LEU 19 Cb 0.38 -1.72 -0.10 0.00 -2.33 0.00 0.00 43.42 39.64 2yqq n LEU 19 CO 0.33 0.12 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.48 2yqq s GLU 20 N -4.18 0.91 -0.94 3.23 2.02 -1.26 -4.72 118.70 113.75 2yqq s GLU 20 Ca 0.09 -1.26 -0.28 0.00 0.02 0.00 0.00 54.97 53.54 2yqq s GLU 20 Cb -0.01 -0.52 -0.21 0.00 0.10 0.00 0.00 34.13 33.49 2yqq s GLU 20 CO 0.34 0.07 2.51 1.63 0.02 0.00 0.00 175.26 179.83 2yqq n LYS 21 N 0.28 0.00 -2.15 1.61 5.02 -1.26 -2.81 118.16 118.85 2yqq n LYS 21 Ca -0.14 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 2yqq n LYS 21 Cb 0.59 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 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 8.37 4.22 0.02 1.97 0.04 -1.26 -4.67 135.00 143.68 2yqq s PRO 22 Ca 1.27 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 64.20 2yqq s PRO 22 Cb -1.17 -3.82 -0.34 0.00 0.04 0.00 0.00 34.50 29.21 2yqq s PRO 22 CO 0.46 -0.75 0.94 0.87 0.04 0.00 0.00 177.00 178.57 2yqq h LYS 23 N 8.77 0.47 -4.88 4.56 1.57 -1.71 -3.46 116.57 121.88 2yqq h LYS 23 Ca -0.36 -0.80 -0.33 0.00 -1.87 0.00 0.00 60.65 57.29 2yqq h LYS 23 Cb 1.16 0.30 -0.14 0.00 0.08 0.00 0.00 32.23 33.62 2yqq h LYS 23 CO 0.95 1.38 -0.63 0.71 -0.57 0.00 0.00 179.45 181.28 2yqq s TYR 24 N -2.60 1.45 0.23 -1.35 1.51 -1.03 -5.05 117.35 110.50 2yqq s TYR 24 Ca -0.10 -1.11 0.07 0.00 -1.01 0.00 0.00 57.07 54.92 2yqq s TYR 24 Cb 0.05 -0.84 -0.05 0.00 -0.11 0.00 0.00 41.96 41.01 2yqq s TYR 24 CO 0.92 -0.27 -0.09 1.03 -1.11 0.00 0.00 175.55 176.03 2yqq s ARG 25 N -3.98 1.38 -0.09 -0.62 0.52 -1.26 -1.34 118.95 113.56 2yqq s ARG 25 Ca 0.33 -1.65 -0.30 0.00 -0.52 0.00 0.00 55.73 53.59 2yqq s ARG 25 Cb 0.07 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.49 2yqq s ARG 25 CO 0.10 0.09 1.28 0.00 0.02 0.00 0.00 175.30 176.79 2yqq n PRO 27 N 5.85 0.49 -0.01 0.00 -0.04 -1.26 0.40 135.00 140.43 2yqq n PRO 27 Ca 0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2yqq n PRO 27 Cb 0.45 -1.01 -0.01 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.48 1.93 0.55 0.55 0.00 -1.26 -4.82 120.51 116.98 2yqq n ALA 28 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.31 2yqq n ALA 28 Cb 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.84 -1.92 -4.09 0.00 5.12 0.16 -4.90 116.66 109.19 2yqq n ARG 30 Ca 0.00 0.37 -0.31 0.00 -1.93 0.00 0.00 57.85 55.98 2yqq n ARG 30 Cb 0.44 -3.67 -0.07 0.00 -1.16 0.00 0.00 32.46 28.00 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 -3.16 4.52 0.06 1.55 -7.23 -1.25 -4.73 120.40 110.16 2yqq s VAL 31 Ca 0.10 -0.67 -0.31 0.00 -1.81 0.00 0.00 61.98 59.29 2yqq s VAL 31 Cb -0.01 -3.14 -0.07 0.00 0.56 0.00 0.00 36.38 33.72 2yqq s VAL 31 CO 0.32 0.20 1.40 -2.16 -0.31 0.00 0.00 175.10 174.56 2yqq s PRO 32 N -2.15 4.30 -0.18 4.82 0.04 -1.26 -1.42 135.00 139.15 2yqq s PRO 32 Ca 0.27 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.27 2yqq s PRO 32 Cb -0.12 -3.42 0.08 0.00 0.04 0.00 0.00 34.50 31.07 2yqq s PRO 32 CO 0.19 -0.51 0.38 1.52 0.04 0.00 0.00 177.00 178.62 2yqq s TYR 33 N 1.79 -0.67 0.00 0.56 -0.85 -0.45 -2.69 117.35 115.04 2yqq s TYR 33 Ca 0.65 1.35 0.00 0.00 -0.52 0.00 0.00 57.07 58.54 2yqq s TYR 33 Cb -0.34 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.23 2yqq s TYR 33 CO 0.29 -0.42 0.76 0.00 -1.52 0.00 0.00 175.55 174.65 2yqq s SER 35 N -2.04 4.21 0.15 0.00 0.01 -1.26 -4.14 113.70 110.62 2yqq s SER 35 Ca 0.00 -1.42 -0.21 0.00 1.31 0.00 0.00 55.95 55.62 2yqq s SER 35 Cb 0.00 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.38 2yqq s SER 35 CO 0.00 -0.75 1.65 0.58 0.41 0.00 0.00 173.24 175.13 2yqq h VAL 36 N 1.36 0.50 -0.20 3.43 2.07 -1.99 -2.93 116.25 118.49 2yqq h VAL 36 Ca -0.43 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.11 2yqq h VAL 36 Cb 1.29 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2yqq h VAL 36 CO 0.72 0.00 -0.12 0.52 0.02 0.00 0.00 177.57 178.72 2yqq n VAL 37 N -5.34 -0.13 -0.31 2.57 0.31 -1.26 0.21 118.33 114.38 2yqq n VAL 37 Ca -0.01 1.15 0.15 0.00 -0.01 0.00 0.00 64.34 65.62 2yqq n VAL 37 Cb 0.25 -1.48 0.40 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.63 0.87 0.04 0.00 3.57 0.27 -3.11 116.94 119.21 2yqq h PHE 39 Ca 0.53 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2yqq h PHE 39 Cb 1.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2yqq h PHE 39 CO -0.00 0.88 -0.16 0.00 -2.23 0.00 0.00 178.31 176.80 2yqq h ARG 40 N 0.70 -0.21 -1.02 1.11 3.08 0.28 0.25 114.38 118.56 2yqq h ARG 40 Ca 0.11 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.47 2yqq h ARG 40 Cb 0.64 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.60 2yqq h ARG 40 CO 0.04 -0.14 0.60 0.87 -1.07 0.00 0.00 179.97 180.27 2yqq h LYS 41 N -0.22 0.40 0.49 0.04 1.57 -1.60 -1.88 116.57 115.37 2yqq h LYS 41 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2yqq h LYS 41 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2yqq h LYS 41 CO -0.08 0.27 -0.24 1.25 -0.57 0.00 0.00 179.45 180.08 2yqq h HIS 42 N 0.42 -0.61 -1.25 -1.35 -0.00 -1.25 -2.98 115.15 108.12 2yqq h HIS 42 Ca 0.69 -0.01 0.42 0.00 -0.00 0.00 0.00 60.37 61.47 2yqq h HIS 42 Cb 1.54 0.20 -0.11 0.00 -0.00 0.00 0.00 27.41 29.04 2yqq h HIS 42 CO -0.01 -0.38 0.82 1.17 -0.00 0.00 0.00 177.93 179.53 2yqq n LYS 43 N -4.13 -0.03 -0.29 5.26 3.00 0.78 0.55 118.16 123.30 2yqq n LYS 43 Ca -0.08 1.03 0.08 0.00 -0.00 0.00 0.00 58.31 59.34 2yqq n LYS 43 Cb 0.26 -2.09 0.19 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 0.06 0.00 1.64 4.39 -1.31 -1.93 114.58 117.43 2yqq h GLU 44 Ca 0.75 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.45 2yqq h GLU 44 Cb 2.53 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 31.16 2yqq h GLU 44 CO -0.33 0.04 -0.08 1.04 -1.16 0.00 0.00 179.01 178.52 2yqq n GLN 45 N -5.43 1.31 -1.45 2.33 1.13 0.19 -5.05 117.38 110.41 2yqq n GLN 45 Ca 0.16 -2.08 -0.54 0.00 -1.94 0.00 0.00 57.00 52.61 2yqq n GLN 45 Cb 0.55 -1.22 -0.08 0.00 0.11 0.00 0.00 30.24 29.59 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yqq s ASN 47 N 6.35 5.13 1.18 0.00 3.04 -1.26 -4.99 114.94 124.39 2yqq s ASN 47 Ca 1.10 -2.00 -0.15 0.00 0.04 0.00 0.00 52.86 51.84 2yqq s ASN 47 Cb -1.03 -1.78 0.22 0.00 -1.54 0.00 0.00 41.25 37.12 2yqq s ASN 47 CO 0.56 -0.49 0.79 -0.81 -3.04 0.00 0.00 177.10 174.11 2yqq n PRO 48 N 4.53 -2.57 -0.08 0.43 -0.04 -1.26 -4.82 135.00 131.18 2yqq n PRO 48 Ca -0.02 -1.27 -0.07 0.00 -0.04 0.00 0.00 63.50 62.10 2yqq n PRO 48 Cb 0.42 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 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 -3.94 0.49 -2.20 0.54 2.13 -1.26 -4.98 120.64 111.43 2yqq n GLU 49 Ca 0.11 0.30 -0.36 0.00 0.66 0.00 0.00 57.16 57.87 2yqq n GLU 49 Cb 0.43 -1.49 0.01 0.00 0.27 0.00 0.00 31.44 30.66 2yqq n GLU 49 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2yqq s THR 50 N -2.67 3.03 -0.28 6.31 -4.23 -1.26 -5.04 115.64 111.50 2yqq s THR 50 Ca -0.24 0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 60.87 2yqq s THR 50 Cb 0.03 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.74 2yqq s THR 50 CO 0.36 -0.12 0.57 -0.44 -0.54 0.00 0.00 174.62 174.45 2yqq s SER 51 N -1.66 -0.93 0.00 3.99 0.01 -1.26 -5.14 113.70 108.72 2yqq s SER 51 Ca 0.72 1.13 0.00 0.00 1.31 0.00 0.00 55.95 59.12 2yqq s SER 51 Cb -0.26 1.98 0.00 0.00 0.21 0.00 0.00 66.02 67.95 2yqq s SER 51 CO 0.30 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2yqq n GLY 52 N 5.43 3.01 0.15 3.44 0.00 -1.26 -4.75 105.19 111.20 2yqq n GLY 52 Ca -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2yqq n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yqq n PRO 53 N -0.62 0.49 -0.96 1.61 -0.04 -1.26 -4.89 135.00 129.32 2yqq n PRO 53 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2yqq n PRO 53 Cb 0.00 -1.07 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2yqq n PRO 53 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yqq n SER 54 N -0.27 0.49 -0.10 3.54 3.41 -1.26 -4.86 113.62 114.57 2yqq n SER 54 Ca 0.00 0.68 -0.19 0.00 -0.26 0.00 0.00 58.87 59.10 2yqq n SER 54 Cb 0.04 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.37 2yqq n SER 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yqq h SER 55 N 2.54 0.00 0.00 4.04 0.02 -2.02 -3.52 113.55 114.61 2yqq h SER 55 Ca -0.27 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2yqq h SER 55 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2yqq h SER 55 CO 0.51 1.34 0.00 0.61 -1.14 0.00 0.00 176.83 178.15