#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 6.20 -0.30 1.61 0.01 -1.26 -5.10 113.70 114.87 2yqq s SER 2 Ca 0.00 0.64 -0.01 0.00 1.31 0.00 0.00 55.95 57.89 2yqq s SER 2 Cb 0.00 -2.05 0.19 0.00 0.21 0.00 0.00 66.02 64.37 2yqq s SER 2 CO 0.00 -0.49 0.64 -0.94 0.41 0.00 0.00 173.24 172.86 2yqq s SER 3 N -4.10 -1.33 0.00 2.44 1.04 -1.26 -5.04 113.70 105.45 2yqq s SER 3 Ca 0.44 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.62 2yqq s SER 3 Cb -0.10 2.08 0.00 0.00 0.10 0.00 0.00 66.02 68.10 2yqq s SER 3 CO 0.40 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.98 2yqq n GLY 4 N 5.43 -0.14 2.35 7.32 0.00 -1.26 -4.90 105.19 113.98 2yqq n GLY 4 Ca -0.01 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2yqq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yqq n SER 5 N -2.40 7.36 -3.97 1.61 2.88 -1.26 -4.90 113.62 112.94 2yqq n SER 5 Ca 0.00 -3.62 -0.17 0.00 -1.33 0.00 0.00 58.87 53.75 2yqq n SER 5 Cb 0.00 -1.03 -0.15 0.00 -0.75 0.00 0.00 64.21 62.28 2yqq n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yqq s SER 6 N -1.16 0.81 -0.55 -3.46 0.15 -1.26 -5.11 113.70 103.12 2yqq s SER 6 Ca 0.56 -0.12 -0.07 0.00 0.70 0.00 0.00 55.95 57.02 2yqq s SER 6 Cb 0.44 -0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.75 2yqq s SER 6 CO -0.09 0.06 0.40 -0.83 1.20 0.00 0.00 173.24 173.99 2yqq s GLY 7 N -0.00 2.26 -0.08 9.45 0.00 -1.26 -5.03 107.32 112.66 2yqq s GLY 7 Ca 0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 44.72 41.83 2yqq s GLY 7 CO -0.00 1.11 0.09 1.08 0.00 0.00 0.00 173.10 175.38 2yqq s LEU 8 N 0.72 0.12 -0.29 0.66 1.43 -1.26 -5.12 118.68 114.93 2yqq s LEU 8 Ca 0.11 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 2yqq s LEU 8 Cb -0.22 -0.05 0.13 0.00 0.03 0.00 0.00 46.19 46.08 2yqq s LEU 8 CO -0.03 -0.27 0.82 -0.75 0.23 0.00 0.00 176.35 176.35 2yqq s LYS 9 N 2.20 0.50 -0.24 1.70 2.20 -1.26 -5.16 119.74 119.68 2yqq s LYS 9 Ca 0.04 1.02 -0.13 0.00 -0.36 0.00 0.00 55.97 56.55 2yqq s LYS 9 Cb -0.13 0.36 0.08 0.00 -1.51 0.00 0.00 37.83 36.63 2yqq s LYS 9 CO -0.05 -0.13 0.57 0.00 -0.36 0.00 0.00 175.35 175.38 2yqq s SER 11 N 1.70 -0.27 -0.26 0.00 0.15 -1.26 -5.18 113.70 108.58 2yqq s SER 11 Ca -0.09 0.33 -0.20 0.00 0.70 0.00 0.00 55.95 56.69 2yqq s SER 11 Cb -0.07 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2yqq s SER 11 CO -0.17 -0.23 0.67 0.28 1.20 0.00 0.00 173.24 175.00 2yqq s THR 12 N -0.92 -0.00 0.09 6.45 -1.32 -1.26 -5.17 115.64 113.51 2yqq s THR 12 Ca 0.02 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.60 2yqq s THR 12 Cb -0.01 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.99 2yqq s THR 12 CO -0.02 0.00 -0.24 0.54 -2.21 0.00 0.00 174.62 172.68 2yqq s VAL 13 N 0.94 2.01 0.12 5.08 0.11 -1.26 -5.15 120.40 122.25 2yqq s VAL 13 Ca -0.05 -1.54 0.07 0.00 -2.93 0.00 0.00 61.98 57.53 2yqq s VAL 13 Cb -0.05 -1.77 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 2yqq s VAL 13 CO -0.08 0.13 -0.16 0.68 -3.33 0.00 0.00 175.10 172.33 2yqq s VAL 14 N -0.99 1.48 -0.38 2.04 -7.23 -1.26 -4.72 120.40 109.33 2yqq s VAL 14 Ca 0.11 -1.66 -0.43 0.00 -1.81 0.00 0.00 61.98 58.18 2yqq s VAL 14 Cb -0.10 -1.53 -0.19 0.00 0.56 0.00 0.00 36.38 35.12 2yqq s VAL 14 CO 0.04 -0.29 1.42 0.00 -0.31 0.00 0.00 175.10 175.96 2yqq n VAL 16 N 3.31 0.00 0.01 0.00 0.24 -1.13 0.72 118.33 121.47 2yqq n VAL 16 Ca 0.27 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.54 2yqq n VAL 16 Cb -0.03 -0.23 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 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 -0.55 1.11 0.40 1.34 2.08 -1.26 -4.84 119.36 117.64 2yqq n ILE 17 Ca 0.02 0.25 0.05 0.00 0.56 0.00 0.00 62.75 63.63 2yqq n ILE 17 Cb 0.01 -1.74 -0.07 0.00 -0.75 0.00 0.00 39.64 37.09 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 -1.42 -4.32 -4.23 0.00 4.32 0.22 -4.94 117.00 106.64 2yqq n LEU 19 Ca 0.01 -0.54 -0.14 0.00 -0.02 0.00 0.00 56.01 55.32 2yqq n LEU 19 Cb 0.21 -2.67 -0.10 0.00 -1.62 0.00 0.00 43.42 39.23 2yqq n LEU 19 CO 0.23 0.19 -0.41 -1.61 -1.22 0.00 0.00 177.39 174.58 2yqq s GLU 20 N -4.62 0.99 -0.91 3.23 2.02 -1.26 -4.67 118.70 113.49 2yqq s GLU 20 Ca 0.19 -1.36 -0.32 0.00 0.02 0.00 0.00 54.97 53.49 2yqq s GLU 20 Cb -0.02 -0.58 -0.21 0.00 0.10 0.00 0.00 34.13 33.42 2yqq s GLU 20 CO 0.60 0.07 2.61 1.63 0.02 0.00 0.00 175.26 180.19 2yqq n LYS 21 N 0.03 0.07 -2.15 1.61 5.02 -1.26 -2.69 118.16 118.79 2yqq n LYS 21 Ca -0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 2yqq n LYS 21 Cb 0.60 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 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 8.57 4.14 0.09 1.97 0.04 -1.26 -4.68 135.00 143.86 2yqq s PRO 22 Ca 1.32 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 64.22 2yqq s PRO 22 Cb -1.23 -3.93 -0.20 0.00 0.04 0.00 0.00 34.50 29.18 2yqq s PRO 22 CO 0.50 -0.87 1.20 0.87 0.04 0.00 0.00 177.00 178.74 2yqq h LYS 23 N 9.31 0.53 -4.81 4.56 6.56 -1.70 -3.47 116.57 127.56 2yqq h LYS 23 Ca -0.35 -0.63 -0.35 0.00 -1.06 0.00 0.00 60.65 58.26 2yqq h LYS 23 Cb 1.15 0.19 -0.14 0.00 -0.57 0.00 0.00 32.23 32.86 2yqq h LYS 23 CO 0.97 1.25 -0.59 0.71 -2.06 0.00 0.00 179.45 179.73 2yqq s TYR 24 N -3.14 1.47 0.02 -1.35 1.51 -1.08 -5.06 117.35 109.72 2yqq s TYR 24 Ca -0.08 -1.33 0.02 0.00 -1.01 0.00 0.00 57.07 54.68 2yqq s TYR 24 Cb 0.07 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2yqq s TYR 24 CO 0.90 -0.51 -0.08 1.03 -1.11 0.00 0.00 175.55 175.78 2yqq s ARG 25 N -3.96 0.57 -0.10 -0.62 0.52 -1.26 -1.98 118.95 112.13 2yqq s ARG 25 Ca 0.38 -0.46 -0.38 0.00 -0.52 0.00 0.00 55.73 54.74 2yqq s ARG 25 Cb 0.06 -0.49 -0.15 0.00 0.52 0.00 0.00 34.95 34.89 2yqq s ARG 25 CO 0.15 0.12 1.63 0.00 0.02 0.00 0.00 175.30 177.23 2yqq n PRO 27 N 4.54 0.49 0.01 0.00 -0.04 -1.26 0.11 135.00 138.85 2yqq n PRO 27 Ca 0.23 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 2yqq n PRO 27 Cb 0.19 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.52 2.60 0.23 0.55 0.00 -1.26 -4.84 120.51 117.27 2yqq n ALA 28 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2yqq n ALA 28 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.39 -2.77 -3.55 0.00 5.12 0.12 -4.84 116.66 108.35 2yqq n ARG 30 Ca 0.00 0.34 -0.34 0.00 -1.93 0.00 0.00 57.85 55.91 2yqq n ARG 30 Cb 0.52 -3.84 -0.05 0.00 -1.16 0.00 0.00 32.46 27.92 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 -3.14 5.06 -0.13 1.55 -7.23 -1.26 -4.68 120.40 110.57 2yqq s VAL 31 Ca 0.06 0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 60.39 2yqq s VAL 31 Cb -0.03 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2yqq s VAL 31 CO 0.29 0.23 1.55 -2.16 -0.31 0.00 0.00 175.10 174.70 2yqq s PRO 32 N -2.06 4.08 -0.09 4.82 0.04 -1.26 -1.75 135.00 138.77 2yqq s PRO 32 Ca 0.35 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 2yqq s PRO 32 Cb -0.14 -3.95 0.05 0.00 0.04 0.00 0.00 34.50 30.50 2yqq s PRO 32 CO 0.19 -0.95 0.21 1.52 0.04 0.00 0.00 177.00 178.01 2yqq s TYR 33 N 4.25 -0.27 0.00 0.56 -0.85 -0.84 -2.83 117.35 117.37 2yqq s TYR 33 Ca 0.68 0.70 -0.00 0.00 -0.52 0.00 0.00 57.07 57.93 2yqq s TYR 33 Cb -0.28 -0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.01 2yqq s TYR 33 CO 0.26 -0.24 0.76 0.00 -1.52 0.00 0.00 175.55 174.81 2yqq s SER 35 N -2.27 4.27 0.43 0.00 0.15 -1.26 -4.06 113.70 110.97 2yqq s SER 35 Ca -0.00 -1.56 0.10 0.00 0.70 0.00 0.00 55.95 55.19 2yqq s SER 35 Cb 0.00 0.53 0.94 0.00 -1.71 0.00 0.00 66.02 65.78 2yqq s SER 35 CO 0.00 -0.93 2.04 0.58 1.20 0.00 0.00 173.24 176.13 2yqq h VAL 36 N 1.17 1.10 0.03 4.45 2.07 -1.99 -3.05 116.25 120.04 2yqq h VAL 36 Ca -0.42 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2yqq h VAL 36 Cb 1.31 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2yqq h VAL 36 CO 0.69 0.11 -0.30 0.58 0.02 0.00 0.00 177.57 178.68 2yqq h VAL 37 N 0.33 0.00 -0.55 2.57 2.07 -1.99 0.64 116.25 119.32 2yqq h VAL 37 Ca 0.08 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.76 2yqq h VAL 37 Cb 0.07 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 2yqq h VAL 37 CO -0.01 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.98 2yqq h PHE 39 N 0.00 0.45 -0.01 0.00 3.57 -1.04 -3.26 116.94 116.64 2yqq h PHE 39 Ca 0.26 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2yqq h PHE 39 Cb 1.05 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2yqq h PHE 39 CO 0.00 1.02 -0.33 0.00 -2.23 0.00 0.00 178.31 176.77 2yqq h ARG 40 N 0.19 -0.39 -0.19 1.11 3.08 0.28 0.26 114.38 118.72 2yqq h ARG 40 Ca -0.05 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.07 2yqq h ARG 40 Cb 1.45 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.52 2yqq h ARG 40 CO 0.14 -0.26 -0.47 0.87 -1.07 0.00 0.00 179.97 179.18 2yqq h LYS 41 N -0.40 -0.48 -0.68 0.04 1.57 -1.67 -1.33 116.57 113.62 2yqq h LYS 41 Ca 0.01 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.97 2yqq h LYS 41 Cb 0.44 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.74 2yqq h LYS 41 CO -0.23 -0.32 0.04 1.25 -0.57 0.00 0.00 179.45 179.63 2yqq h HIS 42 N -0.49 0.03 -1.17 -1.35 -0.00 -1.54 0.25 115.15 110.87 2yqq h HIS 42 Ca 0.07 0.05 0.33 0.00 -0.00 0.00 0.00 60.37 60.82 2yqq h HIS 42 Cb 0.64 0.09 -0.09 0.00 -0.00 0.00 0.00 27.41 28.05 2yqq h HIS 42 CO -0.55 -0.17 0.78 -0.22 -0.00 0.00 0.00 177.93 177.77 2yqq h LYS 43 N 0.15 0.21 -0.95 5.26 1.63 0.69 0.85 116.57 124.40 2yqq h LYS 43 Ca 0.36 -0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.31 2yqq h LYS 43 Cb 0.61 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.11 2yqq h LYS 43 CO -0.56 0.14 0.60 1.05 -3.45 0.00 0.00 179.45 177.23 2yqq h GLU 44 N 0.21 0.75 0.00 1.90 4.11 -0.28 -2.66 114.58 118.61 2yqq h GLU 44 Ca 0.65 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.98 2yqq h GLU 44 Cb 2.02 -0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.98 2yqq h GLU 44 CO -0.25 0.49 -0.58 0.00 0.07 0.00 0.00 179.01 178.75 2yqq n GLN 45 N -4.62 0.81 -1.68 1.06 0.00 0.15 -5.07 117.38 108.03 2yqq n GLN 45 Ca 0.19 -2.43 -0.49 0.00 0.00 0.00 0.00 57.00 54.28 2yqq n GLN 45 Cb 0.49 -0.93 -0.05 0.00 0.00 0.00 0.00 30.24 29.74 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 3.14 4.92 1.18 0.00 -0.87 -1.26 -5.02 114.94 117.03 2yqq s ASN 47 Ca 0.90 -2.06 -0.15 0.00 -1.57 0.00 0.00 52.86 49.98 2yqq s ASN 47 Cb -0.75 -1.69 0.22 0.00 -0.02 0.00 0.00 41.25 39.01 2yqq s ASN 47 CO 0.50 -0.42 0.80 -0.81 -2.57 0.00 0.00 177.10 174.60 2yqq n PRO 48 N 4.38 -2.58 -3.18 -0.60 -0.04 -1.26 -4.66 135.00 127.06 2yqq n PRO 48 Ca 0.01 -1.28 -0.45 0.00 -0.04 0.00 0.00 63.50 61.74 2yqq n PRO 48 Cb 0.42 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 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 -4.82 4.00 -0.21 0.54 8.01 -1.26 -4.78 118.70 120.19 2yqq s GLU 49 Ca 0.52 -2.74 -0.19 0.00 0.01 0.00 0.00 54.97 52.57 2yqq s GLU 49 Cb -0.05 -4.73 -0.19 0.00 -4.31 0.00 0.00 34.13 24.85 2yqq s GLU 49 CO 0.40 -1.46 0.17 0.25 0.01 0.00 0.00 175.26 174.62 2yqq n THR 50 N 3.79 1.56 -0.09 3.63 -2.24 -1.26 -4.44 114.28 115.24 2yqq n THR 50 Ca 0.26 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 2yqq n THR 50 Cb 0.43 -1.99 -0.05 0.00 -2.10 0.00 0.00 70.33 66.62 2yqq n THR 50 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2yqq h SER 51 N -0.87 0.64 0.00 3.42 0.02 -2.02 -3.50 113.55 111.24 2yqq h SER 51 Ca -0.40 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2yqq h SER 51 Cb 1.42 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2yqq h SER 51 CO -0.20 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 2yqq n GLY 52 N 0.12 0.07 3.68 -3.77 0.00 -1.26 -5.10 105.19 98.93 2yqq n GLY 52 Ca -0.04 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.00 4.26 -0.15 1.61 0.04 -1.26 -4.85 135.00 132.64 2yqq s PRO 53 Ca 0.00 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2yqq s PRO 53 Cb 0.00 -3.64 0.07 0.00 0.04 0.00 0.00 34.50 30.98 2yqq s PRO 53 CO 0.00 -0.64 0.32 -1.12 0.04 0.00 0.00 177.00 175.60 2yqq s SER 54 N 2.12 0.12 0.16 6.66 0.01 -1.26 -5.05 113.70 116.45 2yqq s SER 54 Ca 0.66 0.74 -0.27 0.00 1.31 0.00 0.00 55.95 58.38 2yqq s SER 54 Cb -0.32 0.92 -0.03 0.00 0.21 0.00 0.00 66.02 66.81 2yqq s SER 54 CO 0.27 -0.23 1.43 -1.20 0.41 0.00 0.00 173.24 173.92 2yqq n SER 55 N 5.32 -0.93 0.00 2.44 7.64 -1.26 -5.17 113.62 121.66 2yqq n SER 55 Ca -0.08 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.45 2yqq n SER 55 Cb 0.50 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2yqq n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64