#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 6.62 -0.01 1.61 1.04 -1.26 -4.92 113.70 116.79 2yqq s SER 2 Ca 0.00 -2.05 0.01 0.00 0.48 0.00 0.00 55.95 54.39 2yqq s SER 2 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2yqq s SER 2 CO 0.00 -1.39 -0.03 -0.44 0.98 0.00 0.00 173.24 172.36 2yqq s SER 3 N 4.64 0.43 0.00 7.02 0.01 -1.26 -5.03 113.70 119.51 2yqq s SER 3 Ca 0.52 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2yqq s SER 3 Cb 0.02 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2yqq s SER 3 CO 0.02 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2yqq n GLY 4 N 3.23 -1.08 0.11 3.44 0.00 -1.26 -5.07 105.19 104.56 2yqq n GLY 4 Ca -0.16 0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 2yqq n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yqq h SER 5 N 0.00 0.36 -1.63 1.61 0.02 -2.04 -3.43 113.55 108.44 2yqq h SER 5 Ca 0.00 -0.80 -0.52 0.00 -0.84 0.00 0.00 61.79 59.63 2yqq h SER 5 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2yqq h SER 5 CO 0.00 1.12 1.58 -1.20 -1.14 0.00 0.00 176.83 177.19 2yqq n SER 6 N -4.36 2.55 0.00 3.07 7.64 -1.26 -4.58 113.62 116.68 2yqq n SER 6 Ca -0.10 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2yqq n SER 6 Cb 0.60 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2yqq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yqq n GLY 7 N 5.99 -1.41 3.77 0.23 0.00 -1.26 -5.15 105.19 107.35 2yqq n GLY 7 Ca 0.36 0.63 -0.40 0.00 0.00 0.00 0.00 46.02 46.62 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 4.60 -0.54 0.99 1.02 -1.26 -4.98 118.68 118.51 2yqq s LEU 8 Ca 0.00 1.72 0.02 0.00 0.02 0.00 0.00 54.13 55.89 2yqq s LEU 8 Cb 0.00 -3.38 0.43 0.00 0.02 0.00 0.00 46.19 43.26 2yqq s LEU 8 CO 0.00 0.18 1.61 2.29 0.02 0.00 0.00 176.35 180.45 2yqq n LYS 9 N 1.65 3.12 -1.89 1.70 2.85 -1.26 -5.04 118.16 119.29 2yqq n LYS 9 Ca -0.04 -3.82 -0.35 0.00 -1.05 0.00 0.00 58.31 53.05 2yqq n LYS 9 Cb 0.48 -2.28 0.04 0.00 -0.65 0.00 0.00 35.03 32.63 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 -1.94 -0.49 0.03 0.00 0.15 -1.26 -5.17 113.70 105.01 2yqq s SER 11 Ca 0.73 0.12 0.05 0.00 0.70 0.00 0.00 55.95 57.56 2yqq s SER 11 Cb -0.26 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 2yqq s SER 11 CO 0.36 -0.81 -0.13 0.42 1.20 0.00 0.00 173.24 174.28 2yqq s THR 12 N -2.92 3.20 0.11 6.45 -4.23 -1.26 -5.13 115.64 111.86 2yqq s THR 12 Ca -0.03 -1.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.58 2yqq s THR 12 Cb -0.00 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2yqq s THR 12 CO -0.06 0.36 -0.23 0.54 -0.54 0.00 0.00 174.62 174.69 2yqq s VAL 13 N -0.97 2.48 0.32 2.29 0.11 -1.26 -5.15 120.40 118.22 2yqq s VAL 13 Ca 0.16 -1.61 0.09 0.00 -2.93 0.00 0.00 61.98 57.69 2yqq s VAL 13 Cb -0.11 -2.10 -0.06 0.00 -1.53 0.00 0.00 36.38 32.58 2yqq s VAL 13 CO 0.07 0.13 -0.09 0.68 -3.33 0.00 0.00 175.10 172.55 2yqq s VAL 14 N -1.06 2.06 -0.08 2.04 -7.23 -1.26 -4.73 120.40 110.13 2yqq s VAL 14 Ca 0.15 -2.20 -0.37 0.00 -1.81 0.00 0.00 61.98 57.76 2yqq s VAL 14 Cb -0.10 -2.54 -0.15 0.00 0.56 0.00 0.00 36.38 34.15 2yqq s VAL 14 CO 0.07 -0.26 1.66 0.00 -0.31 0.00 0.00 175.10 176.26 2yqq n VAL 16 N 4.08 0.00 0.02 0.00 0.24 -1.11 0.39 118.33 121.94 2yqq n VAL 16 Ca 0.22 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.50 2yqq n VAL 16 Cb 0.21 -0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.50 1.25 0.48 1.34 2.08 -1.26 -4.85 119.36 117.90 2yqq n ILE 17 Ca 0.00 0.35 0.05 0.00 0.56 0.00 0.00 62.75 63.71 2yqq n ILE 17 Cb 0.00 -1.72 -0.07 0.00 -0.75 0.00 0.00 39.64 37.10 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 -1.34 -4.44 -4.24 0.00 4.32 0.16 -4.93 117.00 106.53 2yqq n LEU 19 Ca 0.02 -0.57 -0.15 0.00 -0.02 0.00 0.00 56.01 55.28 2yqq n LEU 19 Cb 0.19 -2.79 -0.10 0.00 -1.62 0.00 0.00 43.42 39.09 2yqq n LEU 19 CO 0.23 0.21 -0.42 -1.61 -1.22 0.00 0.00 177.39 174.58 2yqq s GLU 20 N -4.69 1.04 -0.91 3.23 2.02 -1.26 -4.65 118.70 113.48 2yqq s GLU 20 Ca 0.19 -1.36 -0.32 0.00 0.02 0.00 0.00 54.97 53.50 2yqq s GLU 20 Cb -0.03 -0.71 -0.21 0.00 0.10 0.00 0.00 34.13 33.29 2yqq s GLU 20 CO 0.63 0.11 2.61 1.17 0.02 0.00 0.00 175.26 179.80 2yqq n LYS 21 N 0.08 0.06 -2.19 1.61 4.81 -1.26 -2.85 118.16 118.42 2yqq n LYS 21 Ca -0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 2yqq n LYS 21 Cb 0.59 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 34.02 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 8.56 4.31 -0.01 1.64 0.04 -1.26 -4.68 135.00 143.60 2yqq s PRO 22 Ca 1.32 2.03 0.08 0.00 0.04 0.00 0.00 61.00 64.47 2yqq s PRO 22 Cb -1.24 -3.39 -0.23 0.00 0.04 0.00 0.00 34.50 29.67 2yqq s PRO 22 CO 0.50 -0.49 0.80 0.87 0.04 0.00 0.00 177.00 178.72 2yqq h LYS 23 N 7.27 0.05 -4.59 4.56 1.57 -1.70 -3.47 116.57 120.25 2yqq h LYS 23 Ca -0.41 -0.09 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 2yqq h LYS 23 Cb 1.20 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.41 2yqq h LYS 23 CO 0.88 0.73 -0.51 0.71 -0.57 0.00 0.00 179.45 180.69 2yqq s TYR 24 N -2.62 1.30 0.19 -1.35 1.51 -1.06 -5.06 117.35 110.25 2yqq s TYR 24 Ca -0.05 -1.42 0.04 0.00 -1.01 0.00 0.00 57.07 54.63 2yqq s TYR 24 Cb 0.08 -0.52 -0.05 0.00 -0.11 0.00 0.00 41.96 41.36 2yqq s TYR 24 CO 0.82 -0.78 -0.06 1.03 -1.11 0.00 0.00 175.55 175.46 2yqq s ARG 25 N -3.83 1.22 -0.00 -0.62 0.52 -1.26 -1.84 118.95 113.13 2yqq s ARG 25 Ca 0.38 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 2yqq s ARG 25 Cb 0.04 -0.66 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 2yqq s ARG 25 CO 0.18 -0.00 1.17 0.00 0.02 0.00 0.00 175.30 176.67 2yqq n PRO 27 N 4.56 0.49 0.02 0.00 -0.04 -1.26 0.22 135.00 138.99 2yqq n PRO 27 Ca 0.10 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2yqq n PRO 27 Cb 0.47 -1.03 -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 -0.39 2.96 0.82 0.55 0.00 -1.26 -4.84 120.51 118.34 2yqq n ALA 28 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.54 2yqq n ALA 28 Cb 0.02 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.67 -5.83 -3.52 0.00 3.00 0.13 -4.94 116.66 103.83 2yqq n ARG 30 Ca 0.03 0.68 -0.33 0.00 -0.01 0.00 0.00 57.85 58.23 2yqq n ARG 30 Cb 0.37 -5.23 -0.05 0.00 0.00 0.00 0.00 32.46 27.56 2yqq n ARG 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2yqq s VAL 31 N -3.28 5.03 -0.01 1.55 -7.23 -1.26 -4.64 120.40 110.57 2yqq s VAL 31 Ca 0.21 0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 60.44 2yqq s VAL 31 Cb -0.09 -3.63 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 2yqq s VAL 31 CO 0.59 0.06 1.46 -2.16 -0.31 0.00 0.00 175.10 174.74 2yqq s PRO 32 N -2.51 4.25 -0.12 4.82 0.04 -1.26 -1.99 135.00 138.23 2yqq s PRO 32 Ca 0.42 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 2yqq s PRO 32 Cb -0.12 -3.65 0.06 0.00 0.04 0.00 0.00 34.50 30.82 2yqq s PRO 32 CO 0.21 -0.64 0.27 1.52 0.04 0.00 0.00 177.00 178.40 2yqq s TYR 33 N 2.75 -0.41 0.00 0.56 -0.85 -0.77 -2.76 117.35 115.88 2yqq s TYR 33 Ca 0.66 0.94 0.00 0.00 -0.52 0.00 0.00 57.07 58.15 2yqq s TYR 33 Cb -0.32 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.05 2yqq s TYR 33 CO 0.27 -0.31 0.71 0.00 -1.52 0.00 0.00 175.55 174.70 2yqq s SER 35 N -2.13 4.29 0.21 0.00 0.01 -1.26 -4.08 113.70 110.74 2yqq s SER 35 Ca 0.00 -1.57 -0.10 0.00 1.31 0.00 0.00 55.95 55.59 2yqq s SER 35 Cb 0.00 0.59 0.19 0.00 0.21 0.00 0.00 66.02 67.01 2yqq s SER 35 CO 0.00 -0.97 1.85 0.58 0.41 0.00 0.00 173.24 175.11 2yqq h VAL 36 N 1.13 1.10 -0.14 3.43 2.07 -1.98 -2.99 116.25 118.86 2yqq h VAL 36 Ca -0.42 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2yqq h VAL 36 Cb 1.32 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2yqq h VAL 36 CO 0.69 0.16 -0.09 0.58 0.02 0.00 0.00 177.57 178.93 2yqq h VAL 37 N 0.87 0.00 -0.99 2.57 2.07 -2.00 0.50 116.25 119.28 2yqq h VAL 37 Ca 0.29 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.02 2yqq h VAL 37 Cb 0.02 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.69 2yqq h VAL 37 CO -0.11 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.11 2yqq h PHE 39 N 0.56 0.00 0.62 0.00 3.57 -0.27 -3.01 116.94 118.41 2yqq h PHE 39 Ca 0.56 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.03 2yqq h PHE 39 Cb 1.16 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.91 2yqq h PHE 39 CO -0.00 0.29 -0.30 0.00 -2.23 0.00 0.00 178.31 176.07 2yqq h ARG 40 N 0.00 -0.80 -0.75 1.11 3.08 0.44 0.22 114.38 117.68 2yqq h ARG 40 Ca -0.00 0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.32 2yqq h ARG 40 Cb 0.53 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2yqq h ARG 40 CO 0.04 -0.53 0.60 0.87 -1.07 0.00 0.00 179.97 179.87 2yqq h LYS 41 N -0.86 0.00 0.16 0.04 1.57 -1.55 -2.37 116.57 113.56 2yqq h LYS 41 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2yqq h LYS 41 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2yqq h LYS 41 CO 0.14 0.00 -0.08 1.25 -0.57 0.00 0.00 179.45 180.19 2yqq h HIS 42 N 0.00 -0.20 -0.75 -1.35 -0.00 -1.33 -3.32 115.15 108.19 2yqq h HIS 42 Ca 0.36 -0.00 0.25 0.00 -0.00 0.00 0.00 60.37 60.97 2yqq h HIS 42 Cb 1.55 0.07 -0.14 0.00 -0.00 0.00 0.00 27.41 28.88 2yqq h HIS 42 CO 0.00 -0.13 0.17 1.17 -0.00 0.00 0.00 177.93 179.15 2yqq n LYS 43 N -4.16 -0.05 -0.32 5.26 3.00 0.73 0.11 118.16 122.73 2yqq n LYS 43 Ca -0.03 1.09 0.08 0.00 -0.00 0.00 0.00 58.31 59.45 2yqq n LYS 43 Cb 0.09 -1.82 0.19 0.00 0.00 0.00 0.00 35.03 33.48 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 0.03 -0.10 1.64 5.08 -1.60 0.57 114.58 120.19 2yqq h GLU 44 Ca 0.53 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.85 2yqq h GLU 44 Cb 1.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2yqq h GLU 44 CO -0.65 0.02 -0.23 0.00 -1.00 0.00 0.00 179.01 177.14 2yqq n GLN 45 N -5.50 1.69 -1.94 2.33 10.64 0.30 -4.99 117.38 119.91 2yqq n GLN 45 Ca 0.17 -3.06 -0.37 0.00 -1.83 0.00 0.00 57.00 51.91 2yqq n GLN 45 Cb 0.56 -1.66 -0.03 0.00 -0.86 0.00 0.00 30.24 28.25 2yqq n GLN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2yqq s ASN 47 N 8.95 5.29 1.08 0.00 0.01 -1.26 -4.98 114.94 124.03 2yqq s ASN 47 Ca 0.74 -1.95 -0.07 0.00 -0.71 0.00 0.00 52.86 50.87 2yqq s ASN 47 Cb -0.13 -1.85 0.10 0.00 0.41 0.00 0.00 41.25 39.78 2yqq s ASN 47 CO 0.20 -0.54 0.35 -0.81 -1.51 0.00 0.00 177.10 174.79 2yqq n PRO 48 N 4.64 -1.71 -1.68 -0.60 -0.04 -1.26 -4.88 135.00 129.46 2yqq n PRO 48 Ca -0.04 -0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 62.44 2yqq n PRO 48 Cb 0.41 -0.52 -0.03 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.79 3.74 0.46 0.54 8.01 -1.26 -4.91 118.70 121.49 2yqq s GLU 49 Ca 0.23 2.33 -0.23 0.00 0.01 0.00 0.00 54.97 57.30 2yqq s GLU 49 Cb -0.02 -4.23 -0.09 0.00 -4.31 0.00 0.00 34.13 25.47 2yqq s GLU 49 CO 0.17 -1.40 0.99 2.41 0.01 0.00 0.00 175.26 177.44 2yqq n THR 50 N 6.42 2.63 -0.03 3.63 -1.04 -1.26 -4.94 114.28 119.70 2yqq n THR 50 Ca 0.23 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.53 2yqq n THR 50 Cb 0.43 -1.15 -0.13 0.00 -1.82 0.00 0.00 70.33 67.66 2yqq n THR 50 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2yqq h SER 51 N 1.32 0.27 0.00 8.00 0.02 -2.03 -3.42 113.55 117.71 2yqq h SER 51 Ca -0.45 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 59.71 2yqq h SER 51 Cb 1.34 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2yqq h SER 51 CO 0.55 1.58 0.00 0.61 -1.14 0.00 0.00 176.83 178.43 2yqq n GLY 52 N 1.69 -1.58 3.57 -3.77 0.00 -1.26 -4.26 105.19 99.57 2yqq n GLY 52 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 2.53 -0.18 1.61 0.04 -1.26 -4.94 135.00 132.79 2yqq s PRO 53 Ca 0.00 -0.55 -0.29 0.00 0.04 0.00 0.00 61.00 60.20 2yqq s PRO 53 Cb 0.00 -5.11 -0.01 0.00 0.04 0.00 0.00 34.50 29.42 2yqq s PRO 53 CO 0.00 -3.57 1.23 -1.54 0.04 0.00 0.00 177.00 173.16 2yqq s SER 54 N 7.59 6.96 -0.18 6.66 1.04 -1.26 -4.89 113.70 129.62 2yqq s SER 54 Ca 0.70 1.62 -0.23 0.00 0.48 0.00 0.00 55.95 58.52 2yqq s SER 54 Cb -0.05 -2.54 -0.20 0.00 0.10 0.00 0.00 66.02 63.33 2yqq s SER 54 CO 0.03 -0.76 0.36 -1.28 0.98 0.00 0.00 173.24 172.58 2yqq h SER 55 N 8.13 0.00 0.00 7.02 0.87 -1.92 -3.53 113.55 124.12 2yqq h SER 55 Ca -0.25 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 2yqq h SER 55 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2yqq h SER 55 CO 0.98 1.27 0.00 0.61 -0.53 0.00 0.00 176.83 179.15