#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 5.13 0.09 1.61 0.01 -1.26 -5.08 113.70 114.21 2yqq s SER 2 Ca 0.00 -1.88 -0.31 0.00 1.31 0.00 0.00 55.95 55.07 2yqq s SER 2 Cb 0.00 -1.79 -0.08 0.00 0.21 0.00 0.00 66.02 64.37 2yqq s SER 2 CO 0.00 -0.47 1.42 -0.55 0.41 0.00 0.00 173.24 174.06 2yqq s SER 3 N 1.60 6.80 0.00 2.44 0.15 -1.26 -4.75 113.70 118.68 2yqq s SER 3 Ca 0.06 2.31 0.00 0.00 0.70 0.00 0.00 55.95 59.02 2yqq s SER 3 Cb -0.22 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2yqq s SER 3 CO -0.04 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2yqq n GLY 4 N 3.58 -0.28 3.20 9.45 0.00 -1.26 -5.04 105.19 114.85 2yqq n GLY 4 Ca 0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -4.61 -4.50 1.61 7.64 -1.26 -4.97 113.62 107.52 2yqq n SER 5 Ca 0.00 -0.48 -0.42 0.00 1.01 0.00 0.00 58.87 58.98 2yqq n SER 5 Cb 0.00 -4.35 -0.09 0.00 -1.01 0.00 0.00 64.21 58.76 2yqq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yqq s SER 6 N -3.53 6.18 -0.10 6.43 0.01 -1.26 -5.04 113.70 116.39 2yqq s SER 6 Ca 0.35 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 2yqq s SER 6 Cb -0.15 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 63.92 2yqq s SER 6 CO 0.62 -0.48 0.16 -0.83 0.41 0.00 0.00 173.24 173.11 2yqq s GLY 7 N 1.77 0.08 0.07 3.44 0.00 -1.26 -5.15 107.32 106.26 2yqq s GLY 7 Ca 0.11 0.43 -0.06 0.00 0.00 0.00 0.00 44.72 45.21 2yqq s GLY 7 CO 0.13 1.73 0.11 1.08 0.00 0.00 0.00 173.10 176.15 2yqq s LEU 8 N 2.28 1.79 0.09 0.66 1.43 -1.26 -5.14 118.68 118.52 2yqq s LEU 8 Ca 0.04 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 2yqq s LEU 8 Cb -0.13 0.72 -0.05 0.00 0.03 0.00 0.00 46.19 46.75 2yqq s LEU 8 CO -0.07 -0.64 0.95 -0.54 0.23 0.00 0.00 176.35 176.29 2yqq s LYS 9 N -3.56 4.66 -0.12 1.70 1.02 -1.26 -5.04 119.74 117.15 2yqq s LYS 9 Ca 0.03 1.42 -0.29 0.00 0.02 0.00 0.00 55.97 57.15 2yqq s LYS 9 Cb 0.04 -3.39 0.08 0.00 -0.52 0.00 0.00 37.83 34.05 2yqq s LYS 9 CO -0.09 0.17 0.77 0.00 -0.92 0.00 0.00 175.35 175.28 2yqq s SER 11 N -0.84 4.48 -0.10 0.00 1.04 -1.26 -5.06 113.70 111.96 2yqq s SER 11 Ca -0.07 -1.36 0.04 0.00 0.48 0.00 0.00 55.95 55.04 2yqq s SER 11 Cb -0.01 0.43 -0.24 0.00 0.10 0.00 0.00 66.02 66.30 2yqq s SER 11 CO 0.06 -1.02 0.43 1.07 0.98 0.00 0.00 173.24 174.76 2yqq n THR 12 N -1.61 1.66 -3.63 2.02 5.66 -1.26 -5.02 114.28 112.10 2yqq n THR 12 Ca -0.07 -0.73 -0.04 0.00 -3.05 0.00 0.00 64.05 60.17 2yqq n THR 12 Cb 0.65 -1.31 -0.05 0.00 -1.55 0.00 0.00 70.33 68.08 2yqq n THR 12 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2yqq s VAL 13 N -2.57 0.00 0.15 1.08 0.11 -1.26 -5.18 120.40 112.74 2yqq s VAL 13 Ca -0.15 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.00 2yqq s VAL 13 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2yqq s VAL 13 CO 0.79 0.00 -0.17 0.68 -3.33 0.00 0.00 175.10 173.07 2yqq s VAL 14 N -0.91 2.84 -0.08 2.04 -7.23 -1.26 -4.66 120.40 111.15 2yqq s VAL 14 Ca 0.07 -1.66 -0.28 0.00 -1.81 0.00 0.00 61.98 58.30 2yqq s VAL 14 Cb -0.01 -2.35 -0.13 0.00 0.56 0.00 0.00 36.38 34.44 2yqq s VAL 14 CO -0.07 -0.01 0.80 0.00 -0.31 0.00 0.00 175.10 175.52 2yqq n VAL 16 N 1.40 0.10 0.03 0.00 0.24 -1.15 -0.64 118.33 118.31 2yqq n VAL 16 Ca 0.15 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2yqq n VAL 16 Cb 0.03 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 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 -0.06 0.32 0.14 1.34 2.08 -1.26 -4.88 119.36 117.03 2yqq n ILE 17 Ca 0.01 0.11 0.05 0.00 0.56 0.00 0.00 62.75 63.48 2yqq n ILE 17 Cb 0.24 -1.29 -0.07 0.00 -0.75 0.00 0.00 39.64 37.77 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 -1.66 -3.22 -4.15 0.00 4.77 0.19 -4.97 117.00 107.97 2yqq n LEU 19 Ca -0.01 -0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 55.56 2yqq n LEU 19 Cb 0.23 -1.67 -0.11 0.00 -2.33 0.00 0.00 43.42 39.54 2yqq n LEU 19 CO 0.20 0.11 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.37 2yqq s GLU 20 N -4.14 0.78 -0.81 3.23 2.02 -1.26 -4.70 118.70 113.82 2yqq s GLU 20 Ca 0.09 -1.17 -0.33 0.00 0.02 0.00 0.00 54.97 53.58 2yqq s GLU 20 Cb -0.01 -0.33 -0.19 0.00 0.10 0.00 0.00 34.13 33.70 2yqq s GLU 20 CO 0.32 0.03 2.53 1.63 0.02 0.00 0.00 175.26 179.79 2yqq n LYS 21 N 0.42 0.19 -2.16 1.61 5.02 -1.26 -1.97 118.16 120.02 2yqq n LYS 21 Ca -0.15 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 2yqq n LYS 21 Cb 0.59 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 8.20 4.23 0.05 1.97 0.04 -1.26 -4.66 135.00 143.57 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 -1.15 -3.77 -0.32 0.00 0.04 0.00 0.00 34.50 29.31 2yqq s PRO 22 CO 0.49 -0.71 1.07 0.87 0.04 0.00 0.00 177.00 178.76 2yqq h LYS 23 N 8.58 0.52 -4.97 4.56 6.56 -1.71 -3.46 116.57 126.66 2yqq h LYS 23 Ca -0.37 -0.81 -0.46 0.00 -1.06 0.00 0.00 60.65 57.95 2yqq h LYS 23 Cb 1.17 0.29 -0.14 0.00 -0.57 0.00 0.00 32.23 32.98 2yqq h LYS 23 CO 0.94 1.38 -0.55 0.71 -2.06 0.00 0.00 179.45 179.86 2yqq s TYR 24 N -2.75 1.70 0.15 -1.35 1.51 -1.05 -5.04 117.35 110.52 2yqq s TYR 24 Ca -0.08 -1.29 0.01 0.00 -1.01 0.00 0.00 57.07 54.70 2yqq s TYR 24 Cb 0.05 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2yqq s TYR 24 CO 0.93 -0.40 -0.01 1.03 -1.11 0.00 0.00 175.55 176.00 2yqq s ARG 25 N -3.80 1.01 0.08 -0.62 0.52 -1.26 -1.31 118.95 113.57 2yqq s ARG 25 Ca 0.33 -1.47 -0.31 0.00 -0.52 0.00 0.00 55.73 53.76 2yqq s ARG 25 Cb 0.05 -0.18 -0.06 0.00 0.52 0.00 0.00 34.95 35.27 2yqq s ARG 25 CO 0.17 -0.12 1.28 0.00 0.02 0.00 0.00 175.30 176.65 2yqq n PRO 27 N 4.02 0.49 0.00 0.00 -0.04 -1.26 -1.04 135.00 137.18 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 0.45 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 2.18 0.18 0.55 0.00 -1.26 -4.85 120.51 116.75 2yqq n ALA 28 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2yqq n ALA 28 Cb 0.01 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.22 -1.52 -4.04 0.00 5.12 -0.20 -4.98 116.66 107.81 2yqq n ARG 30 Ca 0.02 0.29 -0.33 0.00 -1.93 0.00 0.00 57.85 55.91 2yqq n ARG 30 Cb 0.61 -3.32 -0.06 0.00 -1.16 0.00 0.00 32.46 28.53 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 4.90 -0.02 1.55 -7.23 -1.26 -4.72 120.40 110.49 2yqq s VAL 31 Ca 0.08 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 2yqq s VAL 31 Cb -0.01 -3.26 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 2yqq s VAL 31 CO 0.25 0.33 1.46 -2.16 -0.31 0.00 0.00 175.10 174.67 2yqq s PRO 32 N -1.84 4.25 -0.10 4.82 0.04 -1.26 -2.05 135.00 138.85 2yqq s PRO 32 Ca 0.25 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 2yqq s PRO 32 Cb -0.12 -3.69 0.05 0.00 0.04 0.00 0.00 34.50 30.78 2yqq s PRO 32 CO 0.16 -0.67 0.22 1.52 0.04 0.00 0.00 177.00 178.27 2yqq s TYR 33 N 2.90 -0.31 0.00 0.56 -0.85 -0.43 -2.93 117.35 116.30 2yqq s TYR 33 Ca 0.66 0.77 0.00 0.00 -0.52 0.00 0.00 57.07 57.98 2yqq s TYR 33 Cb -0.31 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 41.94 2yqq s TYR 33 CO 0.26 -0.28 0.82 0.00 -1.52 0.00 0.00 175.55 174.83 2yqq s SER 35 N -2.03 3.91 0.47 0.00 0.15 -1.26 -4.14 113.70 110.79 2yqq s SER 35 Ca 0.00 -0.75 0.35 0.00 0.70 0.00 0.00 55.95 56.25 2yqq s SER 35 Cb 0.00 -0.52 1.51 0.00 -1.71 0.00 0.00 66.02 65.30 2yqq s SER 35 CO 0.00 0.09 1.61 1.62 1.20 0.00 0.00 173.24 177.76 2yqq h VAL 36 N 2.74 0.09 -0.08 4.45 3.04 -1.99 -1.05 116.25 123.44 2yqq h VAL 36 Ca -0.45 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.23 2yqq h VAL 36 Cb 1.22 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 2yqq h VAL 36 CO 0.54 0.01 -0.20 0.58 -1.01 0.00 0.00 177.57 177.48 2yqq h VAL 37 N 0.05 0.00 -0.92 1.51 2.07 -1.99 0.54 116.25 117.51 2yqq h VAL 37 Ca 0.85 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.63 2yqq h VAL 37 Cb 2.85 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2yqq h VAL 37 CO -0.34 0.00 0.65 0.00 0.02 0.00 0.00 177.57 177.90 2yqq h PHE 39 N 0.06 0.91 -0.61 0.00 3.57 -0.82 -3.29 116.94 116.77 2yqq h PHE 39 Ca 0.45 -0.39 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2yqq h PHE 39 Cb 1.67 -0.15 -0.10 0.00 2.79 0.00 0.00 35.95 40.16 2yqq h PHE 39 CO -0.00 1.19 -0.51 0.00 -2.23 0.00 0.00 178.31 176.77 2yqq h ARG 40 N 0.37 -0.23 -0.93 1.11 3.08 0.28 0.69 114.38 118.76 2yqq h ARG 40 Ca -0.03 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.24 2yqq h ARG 40 Cb 1.24 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.27 2yqq h ARG 40 CO 0.13 -0.15 0.61 0.87 -1.07 0.00 0.00 179.97 180.35 2yqq h LYS 41 N -0.24 0.44 0.11 0.04 1.57 -1.64 -2.56 116.57 114.30 2yqq h LYS 41 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2yqq h LYS 41 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2yqq h LYS 41 CO -0.71 0.29 -0.05 1.25 -0.57 0.00 0.00 179.45 179.65 2yqq h HIS 42 N 0.46 -0.14 -0.78 -1.35 -0.00 -0.15 -3.30 115.15 109.88 2yqq h HIS 42 Ca 0.49 -0.00 0.29 0.00 -0.00 0.00 0.00 60.37 61.15 2yqq h HIS 42 Cb 1.16 0.05 -0.10 0.00 -0.00 0.00 0.00 27.41 28.52 2yqq h HIS 42 CO -0.00 -0.09 0.48 1.17 -0.00 0.00 0.00 177.93 179.49 2yqq n LYS 43 N -3.46 -0.03 -0.36 5.26 0.00 0.19 0.58 118.16 120.34 2yqq n LYS 43 Ca -0.02 0.81 0.05 0.00 0.00 0.00 0.00 58.31 59.15 2yqq n LYS 43 Cb 0.06 -1.54 0.12 0.00 0.00 0.00 0.00 35.03 33.67 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 0.00 1.64 4.39 -1.54 -1.99 114.58 117.08 2yqq h GLU 44 Ca 0.54 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.19 2yqq h GLU 44 Cb 1.64 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.18 2yqq h GLU 44 CO -0.36 -0.00 -0.57 0.00 -1.16 0.00 0.00 179.01 176.92 2yqq n GLN 45 N -5.60 0.87 -1.57 2.33 10.64 0.20 -5.08 117.38 119.16 2yqq n GLN 45 Ca 0.15 -2.51 -0.61 0.00 -1.83 0.00 0.00 57.00 52.20 2yqq n GLN 45 Cb 0.48 -0.98 -0.09 0.00 -0.86 0.00 0.00 30.24 28.79 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 1.99 4.76 0.00 0.00 -0.87 -1.26 -4.95 114.94 114.60 2yqq s ASN 47 Ca 0.95 -2.02 0.08 0.00 -1.57 0.00 0.00 52.86 50.29 2yqq s ASN 47 Cb -1.35 -1.63 0.45 0.00 -0.02 0.00 0.00 41.25 38.70 2yqq s ASN 47 CO 0.70 -0.36 0.90 -0.81 -2.57 0.00 0.00 177.10 174.96 2yqq n PRO 48 N 4.31 0.49 -2.03 -0.60 -0.04 -1.26 -4.64 135.00 131.22 2yqq n PRO 48 Ca 0.01 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2yqq n PRO 48 Cb 0.42 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -2.00 2.51 0.20 0.54 0.41 -1.26 -4.77 118.70 114.33 2yqq s GLU 49 Ca 0.11 -0.33 -0.33 0.00 -0.41 0.00 0.00 54.97 54.02 2yqq s GLU 49 Cb 0.05 -5.07 -0.14 0.00 -1.78 0.00 0.00 34.13 27.19 2yqq s GLU 49 CO 0.09 -3.47 1.38 2.41 -0.49 0.00 0.00 175.26 175.18 2yqq n THR 50 N 7.91 0.67 -2.95 3.63 -1.04 -1.26 -4.94 114.28 116.29 2yqq n THR 50 Ca 0.41 -0.17 -0.37 0.00 -2.04 0.00 0.00 64.05 61.87 2yqq n THR 50 Cb 0.47 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 2yqq n THR 50 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2yqq s SER 51 N 0.36 7.26 -0.71 8.00 1.04 -1.26 -5.03 113.70 123.37 2yqq s SER 51 Ca 0.73 1.63 0.05 0.00 0.48 0.00 0.00 55.95 58.84 2yqq s SER 51 Cb -0.72 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.07 2yqq s SER 51 CO 0.48 0.05 0.51 0.61 0.98 0.00 0.00 173.24 175.87 2yqq n GLY 52 N 0.94 4.06 0.06 7.32 0.00 -1.26 -4.93 105.19 111.38 2yqq n GLY 52 Ca -0.02 -2.61 -0.13 0.00 0.00 0.00 0.00 46.02 43.27 2yqq n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqq h PRO 53 N 5.34 -0.02 -2.12 1.61 0.13 -2.04 -3.46 132.00 131.44 2yqq h PRO 53 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.24 2yqq h PRO 53 Cb 0.75 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.67 2yqq h PRO 53 CO 0.72 0.47 0.06 0.45 -0.23 0.00 0.00 178.00 179.47 2yqq s SER 54 N -5.67 -0.72 -0.11 1.44 0.15 -1.26 -5.16 113.70 102.36 2yqq s SER 54 Ca -0.16 1.36 -0.06 0.00 0.70 0.00 0.00 55.95 57.79 2yqq s SER 54 Cb 0.02 1.36 0.04 0.00 -1.71 0.00 0.00 66.02 65.73 2yqq s SER 54 CO 0.67 -0.23 0.26 -0.94 1.20 0.00 0.00 173.24 174.19 2yqq s SER 55 N 0.53 -0.28 0.00 5.45 1.04 -1.26 -5.24 113.70 113.93 2yqq s SER 55 Ca -0.01 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2yqq s SER 55 Cb -0.05 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2yqq s SER 55 CO -0.02 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.65