#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 -0.25 0.12 1.61 0.15 -1.26 -5.19 113.70 108.88 2yqq s SER 2 Ca 0.00 0.44 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 2yqq s SER 2 Cb 0.00 0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 2yqq s SER 2 CO 0.00 -0.07 0.04 -0.94 1.20 0.00 0.00 173.24 173.47 2yqq s SER 3 N 0.76 0.39 -0.37 5.45 1.04 -1.26 -5.10 113.70 114.61 2yqq s SER 3 Ca -0.03 -1.17 0.05 0.00 0.48 0.00 0.00 55.95 55.28 2yqq s SER 3 Cb -0.04 0.27 0.33 0.00 0.10 0.00 0.00 66.02 66.68 2yqq s SER 3 CO -0.12 -0.70 1.31 0.61 0.98 0.00 0.00 173.24 175.33 2yqq n GLY 4 N -0.06 -0.80 3.40 7.32 0.00 -1.26 -5.14 105.19 108.65 2yqq n GLY 4 Ca -0.07 0.58 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.55 4.44 -0.44 1.61 0.15 -1.26 -5.08 113.70 112.58 2yqq s SER 5 Ca 0.21 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.42 2yqq s SER 5 Cb 0.30 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.91 2yqq s SER 5 CO -0.15 0.10 0.43 -0.55 1.20 0.00 0.00 173.24 174.27 2yqq s SER 6 N 0.79 6.18 -0.80 5.45 0.15 -1.26 -4.99 113.70 119.22 2yqq s SER 6 Ca -0.02 -0.82 -0.23 0.00 0.70 0.00 0.00 55.95 55.58 2yqq s SER 6 Cb -0.15 -2.22 -0.18 0.00 -1.71 0.00 0.00 66.02 61.77 2yqq s SER 6 CO 0.02 -0.61 2.38 0.61 1.20 0.00 0.00 173.24 176.84 2yqq n GLY 7 N 5.14 -0.20 3.44 9.45 0.00 -1.26 -4.81 105.19 116.95 2yqq n GLY 7 Ca -0.08 0.36 -0.52 0.00 0.00 0.00 0.00 46.02 45.77 2yqq n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yqq n LEU 8 N 14.80 1.98 -4.41 0.99 -0.00 -1.26 -4.92 117.00 124.17 2yqq n LEU 8 Ca 0.51 0.50 -0.20 0.00 -0.00 0.00 0.00 56.01 56.82 2yqq n LEU 8 Cb 0.36 -1.20 -0.10 0.00 -0.00 0.00 0.00 43.42 42.47 2yqq n LEU 8 CO 0.72 -0.70 -0.35 -1.59 -0.00 0.00 0.00 177.39 175.46 2yqq s LYS 9 N 5.97 1.51 0.36 1.96 0.00 -1.26 -5.17 119.74 123.11 2yqq s LYS 9 Ca 1.10 -1.76 0.08 0.00 0.00 0.00 0.00 55.97 55.39 2yqq s LYS 9 Cb -0.96 -1.03 -0.05 0.00 0.00 0.00 0.00 37.83 35.78 2yqq s LYS 9 CO 0.53 0.00 0.06 0.00 0.00 0.00 0.00 175.35 175.94 2yqq s SER 11 N -3.77 6.18 -0.10 0.00 0.01 -1.26 -5.08 113.70 109.67 2yqq s SER 11 Ca 0.36 0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.85 2yqq s SER 11 Cb 0.02 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.16 2yqq s SER 11 CO 0.20 0.16 -0.19 -0.89 0.41 0.00 0.00 173.24 172.92 2yqq s THR 12 N 0.51 1.76 0.29 1.44 2.01 -1.26 -5.13 115.64 115.25 2yqq s THR 12 Ca 0.08 -0.82 0.11 0.00 0.31 0.00 0.00 61.69 61.37 2yqq s THR 12 Cb -0.12 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 2yqq s THR 12 CO -0.01 0.49 -0.15 0.54 -0.69 0.00 0.00 174.62 174.81 2yqq s VAL 13 N 0.66 2.64 0.07 3.82 0.11 -1.26 -5.15 120.40 121.28 2yqq s VAL 13 Ca -0.13 -2.29 0.04 0.00 -2.93 0.00 0.00 61.98 56.68 2yqq s VAL 13 Cb -0.16 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 2yqq s VAL 13 CO 0.03 -0.37 -0.11 0.68 -3.33 0.00 0.00 175.10 172.00 2yqq s VAL 14 N -2.49 0.87 -0.18 2.04 -7.23 -1.26 -4.75 120.40 107.40 2yqq s VAL 14 Ca 0.31 -1.32 -0.31 0.00 -1.81 0.00 0.00 61.98 58.85 2yqq s VAL 14 Cb -0.04 -1.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.76 2yqq s VAL 14 CO 0.16 -0.37 0.94 0.00 -0.31 0.00 0.00 175.10 175.52 2yqq n VAL 16 N 1.97 0.00 0.01 0.00 0.24 -1.10 -0.18 118.33 119.27 2yqq n VAL 16 Ca 0.18 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.46 2yqq n VAL 16 Cb 0.00 -0.19 -0.01 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 -0.31 0.83 0.09 1.34 2.08 -1.26 -4.87 119.36 117.26 2yqq n ILE 17 Ca 0.00 0.21 0.05 0.00 0.56 0.00 0.00 62.75 63.57 2yqq n ILE 17 Cb 0.07 -1.62 -0.08 0.00 -0.75 0.00 0.00 39.64 37.26 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 -3.17 -4.19 0.00 4.77 0.74 -4.97 117.00 108.43 2yqq n LEU 19 Ca -0.01 -0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 2yqq n LEU 19 Cb 0.26 -1.62 -0.10 0.00 -2.33 0.00 0.00 43.42 39.62 2yqq n LEU 19 CO 0.23 0.11 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.38 2yqq s GLU 20 N -4.12 0.89 -0.88 3.23 2.02 -1.26 -4.71 118.70 113.87 2yqq s GLU 20 Ca 0.09 -1.29 -0.33 0.00 0.02 0.00 0.00 54.97 53.47 2yqq s GLU 20 Cb -0.01 -0.43 -0.20 0.00 0.10 0.00 0.00 34.13 33.58 2yqq s GLU 20 CO 0.31 0.04 2.59 1.63 0.02 0.00 0.00 175.26 179.85 2yqq n LYS 21 N 0.17 0.09 -2.15 1.61 5.02 -1.26 -2.54 118.16 119.10 2yqq n LYS 21 Ca -0.13 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 2yqq n LYS 21 Cb 0.59 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 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 8.46 4.21 0.08 1.97 0.04 -1.26 -4.69 135.00 143.82 2yqq s PRO 22 Ca 1.31 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 64.34 2yqq s PRO 22 Cb -1.22 -3.85 -0.27 0.00 0.04 0.00 0.00 34.50 29.21 2yqq s PRO 22 CO 0.50 -0.76 1.17 0.87 0.04 0.00 0.00 177.00 178.81 2yqq h LYS 23 N 8.86 0.22 -4.76 4.56 1.57 -1.70 -3.47 116.57 121.85 2yqq h LYS 23 Ca -0.36 -0.37 -0.37 0.00 -1.87 0.00 0.00 60.65 57.69 2yqq h LYS 23 Cb 1.16 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 2yqq h LYS 23 CO 0.95 1.18 -0.55 0.71 -0.57 0.00 0.00 179.45 181.17 2yqq s TYR 24 N -2.67 1.49 0.18 -1.35 1.51 -1.04 -5.06 117.35 110.41 2yqq s TYR 24 Ca -0.03 -1.54 0.03 0.00 -1.01 0.00 0.00 57.07 54.52 2yqq s TYR 24 Cb 0.08 -0.64 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 2yqq s TYR 24 CO 0.87 -0.77 -0.03 1.03 -1.11 0.00 0.00 175.55 175.55 2yqq s ARG 25 N -3.77 1.15 -0.03 -0.62 0.52 -1.26 -1.64 118.95 113.30 2yqq s ARG 25 Ca 0.40 -1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 53.76 2yqq s ARG 25 Cb 0.04 -0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 2yqq s ARG 25 CO 0.21 -0.07 1.23 0.00 0.02 0.00 0.00 175.30 176.68 2yqq n PRO 27 N 4.99 0.49 0.00 0.00 -0.04 -1.26 -0.02 135.00 139.16 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 0.46 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.39 2.54 0.78 0.55 0.00 -1.26 -4.84 120.51 117.89 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 0.02 0.03 0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.74 -4.01 -3.84 0.00 5.12 0.97 -4.92 116.66 108.24 2yqq n ARG 30 Ca 0.03 0.57 -0.32 0.00 -1.93 0.00 0.00 57.85 56.20 2yqq n ARG 30 Cb 0.39 -4.70 -0.05 0.00 -1.16 0.00 0.00 32.46 26.94 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 -3.24 5.34 -0.05 1.55 -7.23 -1.26 -4.69 120.40 110.82 2yqq s VAL 31 Ca 0.04 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.78 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 0.49 0.22 1.49 -2.16 -0.31 0.00 0.00 175.10 174.82 2yqq s PRO 32 N -2.23 4.23 -0.10 4.82 0.04 -1.26 -1.76 135.00 138.73 2yqq s PRO 32 Ca 0.33 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 2yqq s PRO 32 Cb -0.13 -3.78 0.05 0.00 0.04 0.00 0.00 34.50 30.68 2yqq s PRO 32 CO 0.23 -0.72 0.21 1.52 0.04 0.00 0.00 177.00 178.27 2yqq s TYR 33 N 3.32 -0.29 0.00 0.56 -0.85 -0.65 -2.70 117.35 116.74 2yqq s TYR 33 Ca 0.66 0.73 0.00 0.00 -0.52 0.00 0.00 57.07 57.95 2yqq s TYR 33 Cb -0.31 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 41.97 2yqq s TYR 33 CO 0.25 -0.26 0.70 0.00 -1.52 0.00 0.00 175.55 174.73 2yqq n SER 35 N -1.61 3.16 -0.35 0.00 7.64 -1.26 -4.07 113.62 117.13 2yqq n SER 35 Ca 0.00 -3.06 -0.02 0.00 1.01 0.00 0.00 58.87 56.80 2yqq n SER 35 Cb 0.00 0.23 0.11 0.00 -1.01 0.00 0.00 64.21 63.54 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 1.07 1.22 -0.23 0.44 2.07 -1.98 -3.01 116.25 115.83 2yqq h VAL 36 Ca -0.39 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2yqq h VAL 36 Cb 1.23 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2yqq h VAL 36 CO 0.63 0.23 -0.19 0.58 0.02 0.00 0.00 177.57 178.85 2yqq h VAL 37 N 1.25 0.00 -0.78 2.57 2.07 -2.00 0.61 116.25 119.97 2yqq h VAL 37 Ca 0.36 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.06 2yqq h VAL 37 Cb -0.10 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.62 2yqq h VAL 37 CO -0.09 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.03 2yqq h PHE 39 N 0.27 0.00 0.67 0.00 3.57 -0.24 -3.15 116.94 118.07 2yqq h PHE 39 Ca 0.39 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 2yqq h PHE 39 Cb 1.11 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.86 2yqq h PHE 39 CO -0.00 0.48 -0.32 0.00 -2.23 0.00 0.00 178.31 176.24 2yqq h ARG 40 N 0.00 -0.87 -0.57 1.11 3.08 0.40 0.24 114.38 117.77 2yqq h ARG 40 Ca -0.00 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.27 2yqq h ARG 40 Cb 0.92 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2yqq h ARG 40 CO 0.06 -0.58 0.53 0.87 -1.07 0.00 0.00 179.97 179.78 2yqq h LYS 41 N -0.90 0.00 0.06 0.04 1.57 -1.62 -2.59 116.57 113.13 2yqq h LYS 41 Ca -0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2yqq h LYS 41 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2yqq h LYS 41 CO 0.15 0.00 -0.03 1.25 -0.57 0.00 0.00 179.45 180.25 2yqq h HIS 42 N 0.00 -0.07 -0.70 -1.35 -0.00 -1.41 -3.33 115.15 108.28 2yqq h HIS 42 Ca 0.27 -0.00 0.28 0.00 -0.00 0.00 0.00 60.37 60.92 2yqq h HIS 42 Cb 1.33 0.02 -0.13 0.00 -0.00 0.00 0.00 27.41 28.63 2yqq h HIS 42 CO 0.00 -0.04 0.31 1.17 -0.00 0.00 0.00 177.93 179.37 2yqq n LYS 43 N -3.27 -0.04 -0.27 5.26 3.00 0.81 0.12 118.16 123.77 2yqq n LYS 43 Ca -0.01 0.99 0.02 0.00 -0.00 0.00 0.00 58.31 59.31 2yqq n LYS 43 Cb 0.03 -1.74 0.09 0.00 0.00 0.00 0.00 35.03 33.42 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 -0.00 -0.06 1.64 5.08 -1.61 -1.43 114.58 118.20 2yqq h GLU 44 Ca 0.57 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.91 2yqq h GLU 44 Cb 1.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2yqq h GLU 44 CO -0.57 -0.00 -0.16 1.04 -1.00 0.00 0.00 179.01 178.32 2yqq n GLN 45 N -5.50 1.61 -1.55 2.33 6.02 0.32 -5.02 117.38 115.58 2yqq n GLN 45 Ca 0.11 -2.89 -0.43 0.00 -0.01 0.00 0.00 57.00 53.78 2yqq n GLN 45 Cb 0.39 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 30.00 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 9.11 5.42 1.18 0.00 2.47 -1.26 -4.99 114.94 126.87 2yqq s ASN 47 Ca 1.03 -1.86 -0.15 0.00 0.42 0.00 0.00 52.86 52.30 2yqq s ASN 47 Cb -0.44 -1.90 0.22 0.00 -1.45 0.00 0.00 41.25 37.68 2yqq s ASN 47 CO 0.36 -0.57 0.78 -0.81 -3.72 0.00 0.00 177.10 173.14 2yqq n PRO 48 N 4.74 -2.54 -2.01 0.43 -0.04 -1.26 -4.86 135.00 129.46 2yqq n PRO 48 Ca -0.06 -1.24 -0.40 0.00 -0.04 0.00 0.00 63.50 61.76 2yqq n PRO 48 Cb 0.42 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 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 -4.76 2.81 0.57 0.54 2.02 -1.26 -4.95 118.70 113.66 2yqq s GLU 49 Ca 0.50 0.88 -0.21 0.00 0.02 0.00 0.00 54.97 56.17 2yqq s GLU 49 Cb -0.05 -4.34 -0.04 0.00 0.10 0.00 0.00 34.13 29.80 2yqq s GLU 49 CO 0.39 -2.50 1.27 0.25 0.02 0.00 0.00 175.26 174.69 2yqq n THR 50 N 7.31 4.01 -1.74 3.63 -2.24 -1.26 -4.92 114.28 119.07 2yqq n THR 50 Ca 0.22 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 61.10 2yqq n THR 50 Cb 0.51 -1.53 0.03 0.00 -2.10 0.00 0.00 70.33 67.23 2yqq n THR 50 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2yqq n SER 51 N -1.10 2.92 0.00 3.42 2.88 -1.26 -4.78 113.62 115.70 2yqq n SER 51 Ca 0.12 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2yqq n SER 51 Cb 0.45 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 2yqq n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqq n GLY 52 N 0.69 -3.65 3.69 0.46 0.00 -1.26 -4.93 105.19 100.19 2yqq n GLY 52 Ca 0.07 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.86 4.26 0.05 1.61 0.04 -1.26 -4.85 135.00 133.99 2yqq s PRO 53 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2yqq s PRO 53 Cb 0.00 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2yqq s PRO 53 CO 0.00 -0.62 0.00 -1.13 0.04 0.00 0.00 177.00 175.29 2yqq n SER 54 N 5.56 0.07 -3.98 6.66 3.41 -1.26 -5.11 113.62 118.97 2yqq n SER 54 Ca 0.14 0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.69 2yqq n SER 54 Cb 0.43 0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 2yqq n SER 54 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yqq s SER 55 N -5.09 0.57 0.00 4.04 1.04 -1.26 -5.20 113.70 107.81 2yqq s SER 55 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2yqq s SER 55 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2yqq s SER 55 CO 0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78