#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 4.12 0.23 1.61 1.04 -1.26 -5.12 113.70 114.32 2yqq s SER 2 Ca 0.00 -0.26 0.09 0.00 0.48 0.00 0.00 55.95 56.26 2yqq s SER 2 Cb 0.00 -1.43 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 2yqq s SER 2 CO 0.00 0.22 -0.06 -0.55 0.98 0.00 0.00 173.24 173.83 2yqq s SER 3 N 0.04 4.36 0.00 7.02 0.15 -1.26 -5.09 113.70 118.92 2yqq s SER 3 Ca -0.04 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2yqq s SER 3 Cb -0.14 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2yqq s SER 3 CO 0.04 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2yqq n GLY 4 N -0.49 -0.35 3.08 9.45 0.00 -1.26 -5.08 105.19 110.54 2yqq n GLY 4 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 2yqq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqq s SER 5 N -2.69 1.18 0.37 1.61 0.01 -1.26 -5.14 113.70 107.78 2yqq s SER 5 Ca 0.00 -0.41 -0.25 0.00 1.31 0.00 0.00 55.95 56.59 2yqq s SER 5 Cb 0.00 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.09 2yqq s SER 5 CO 0.00 -0.04 1.07 -0.94 0.41 0.00 0.00 173.24 173.74 2yqq s SER 6 N -1.08 6.86 0.74 2.44 1.04 -1.26 -5.02 113.70 117.41 2yqq s SER 6 Ca -0.02 2.12 -0.12 0.00 0.48 0.00 0.00 55.95 58.40 2yqq s SER 6 Cb -0.07 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.49 2yqq s SER 6 CO 0.01 -0.43 1.11 -0.83 0.98 0.00 0.00 173.24 174.08 2yqq s GLY 7 N -1.36 1.91 -0.03 7.32 0.00 -1.26 -5.06 107.32 108.84 2yqq s GLY 7 Ca 0.54 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.68 2yqq s GLY 7 CO 0.32 0.79 0.07 1.08 0.00 0.00 0.00 173.10 175.36 2yqq s LEU 8 N -5.51 1.74 -0.50 0.66 1.43 -1.26 -5.11 118.68 110.13 2yqq s LEU 8 Ca 0.65 0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.60 2yqq s LEU 8 Cb -0.20 0.23 0.00 0.00 0.03 0.00 0.00 46.19 46.26 2yqq s LEU 8 CO 0.50 -0.02 1.53 -0.54 0.23 0.00 0.00 176.35 178.05 2yqq s LYS 9 N 0.04 3.28 -0.26 1.70 1.02 -1.26 -4.98 119.74 119.28 2yqq s LYS 9 Ca -0.00 0.75 -0.04 0.00 0.02 0.00 0.00 55.97 56.69 2yqq s LYS 9 Cb -0.01 -4.15 0.01 0.00 -0.52 0.00 0.00 37.83 33.17 2yqq s LYS 9 CO 0.00 -1.94 0.00 0.00 -0.92 0.00 0.00 175.35 172.49 2yqq n SER 11 N 4.78 -2.57 0.15 0.00 3.41 -1.26 -4.96 113.62 113.16 2yqq n SER 11 Ca -0.16 -0.28 -0.06 0.00 -0.26 0.00 0.00 58.87 58.11 2yqq n SER 11 Cb 0.48 -1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 2yqq n SER 11 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2yqq h THR 12 N -2.53 0.00 -1.25 6.66 1.35 -2.05 -3.48 112.91 111.61 2yqq h THR 12 Ca -0.51 -0.18 0.16 0.00 -0.55 0.00 0.00 66.41 65.34 2yqq h THR 12 Cb 1.27 0.00 -0.29 0.00 -1.73 0.00 0.00 68.15 67.40 2yqq h THR 12 CO 0.36 0.00 0.77 0.54 -0.25 0.00 0.00 175.52 176.94 2yqq s VAL 13 N -3.19 0.00 0.28 6.82 0.11 -1.26 -5.18 120.40 117.98 2yqq s VAL 13 Ca -0.06 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.07 2yqq s VAL 13 Cb 0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2yqq s VAL 13 CO 0.17 0.00 0.19 0.68 -3.33 0.00 0.00 175.10 172.81 2yqq s VAL 14 N -0.38 4.00 -0.11 2.04 -7.23 -1.26 -4.67 120.40 112.78 2yqq s VAL 14 Ca 0.06 -1.48 -0.41 0.00 -1.81 0.00 0.00 61.98 58.34 2yqq s VAL 14 Cb -0.03 -3.25 -0.19 0.00 0.56 0.00 0.00 36.38 33.47 2yqq s VAL 14 CO -0.09 -0.30 1.31 0.00 -0.31 0.00 0.00 175.10 175.71 2yqq n VAL 16 N 2.57 0.00 0.03 0.00 0.24 -1.11 -0.27 118.33 119.79 2yqq n VAL 16 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 2yqq n VAL 16 Cb 0.08 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 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 -0.12 0.42 0.41 1.34 2.08 -1.26 -4.87 119.36 117.37 2yqq n ILE 17 Ca 0.00 0.14 0.05 0.00 0.56 0.00 0.00 62.75 63.49 2yqq n ILE 17 Cb 0.18 -1.33 -0.06 0.00 -0.75 0.00 0.00 39.64 37.69 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 -1.27 -4.19 -4.31 0.00 4.32 0.63 -4.95 117.00 107.23 2yqq n LEU 19 Ca 0.02 -0.53 -0.16 0.00 -0.02 0.00 0.00 56.01 55.32 2yqq n LEU 19 Cb 0.16 -2.64 -0.10 0.00 -1.62 0.00 0.00 43.42 39.22 2yqq n LEU 19 CO 0.19 0.21 -0.33 -1.61 -1.22 0.00 0.00 177.39 174.63 2yqq s GLU 20 N -4.67 1.28 -0.55 3.23 0.41 -1.26 -4.70 118.70 112.44 2yqq s GLU 20 Ca 0.16 -1.64 -0.33 0.00 -0.41 0.00 0.00 54.97 52.76 2yqq s GLU 20 Cb -0.02 -0.55 -0.14 0.00 -1.78 0.00 0.00 34.13 31.65 2yqq s GLU 20 CO 0.59 -0.09 2.37 1.17 -0.49 0.00 0.00 175.26 178.80 2yqq n LYS 21 N -0.37 0.72 -2.14 1.61 4.81 -1.26 -1.62 118.16 119.90 2yqq n LYS 21 Ca -0.06 0.13 -0.43 0.00 -0.87 0.00 0.00 58.31 57.09 2yqq n LYS 21 Cb 0.64 -2.37 -0.03 0.00 0.02 0.00 0.00 35.03 33.29 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 7.37 4.16 0.06 1.64 0.04 -1.26 -4.66 135.00 142.34 2yqq s PRO 22 Ca 1.14 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 64.06 2yqq s PRO 22 Cb -0.85 -3.92 -0.31 0.00 0.04 0.00 0.00 34.50 29.45 2yqq s PRO 22 CO 0.45 -0.85 1.08 0.87 0.04 0.00 0.00 177.00 178.59 2yqq h LYS 23 N 9.25 0.42 -4.79 4.56 1.57 -1.73 -3.47 116.57 122.37 2yqq h LYS 23 Ca -0.35 -0.69 -0.32 0.00 -1.87 0.00 0.00 60.65 57.42 2yqq h LYS 23 Cb 1.15 0.26 -0.15 0.00 0.08 0.00 0.00 32.23 33.57 2yqq h LYS 23 CO 0.96 1.33 -0.61 0.71 -0.57 0.00 0.00 179.45 181.27 2yqq s TYR 24 N -2.66 1.43 0.22 -1.35 1.51 -1.03 -5.06 117.35 110.41 2yqq s TYR 24 Ca -0.06 -1.27 0.05 0.00 -1.01 0.00 0.00 57.07 54.78 2yqq s TYR 24 Cb 0.06 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 41.07 2yqq s TYR 24 CO 0.92 -0.45 -0.06 1.03 -1.11 0.00 0.00 175.55 175.87 2yqq s ARG 25 N -4.05 1.34 0.04 -0.62 0.52 -1.26 -1.87 118.95 113.05 2yqq s ARG 25 Ca 0.38 -1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 53.64 2yqq s ARG 25 Cb 0.07 -0.84 -0.06 0.00 0.52 0.00 0.00 34.95 34.64 2yqq s ARG 25 CO 0.14 0.02 1.30 0.00 0.02 0.00 0.00 175.30 176.77 2yqq n PRO 27 N 4.56 0.48 0.00 0.00 -0.04 -1.26 -0.60 135.00 138.14 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 0.45 -1.01 0.00 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 2.73 0.31 0.55 0.00 -1.26 -4.86 120.51 117.50 2yqq n ALA 28 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2yqq n ALA 28 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.56 -2.41 -3.89 0.00 5.12 0.23 -4.95 116.66 108.19 2yqq n ARG 30 Ca 0.02 0.47 -0.33 0.00 -1.93 0.00 0.00 57.85 56.08 2yqq n ARG 30 Cb 0.50 -4.09 -0.05 0.00 -1.16 0.00 0.00 32.46 27.66 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 -3.20 5.41 -0.13 1.55 -7.23 -1.26 -4.66 120.40 110.87 2yqq s VAL 31 Ca 0.12 -0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 59.81 2yqq s VAL 31 Cb -0.02 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 2yqq s VAL 31 CO 0.40 0.27 1.55 -2.16 -0.31 0.00 0.00 175.10 174.85 2yqq s PRO 32 N -2.10 4.09 -0.09 4.82 0.04 -1.26 -2.10 135.00 138.39 2yqq s PRO 32 Ca 0.30 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 2yqq s PRO 32 Cb -0.13 -3.95 0.04 0.00 0.04 0.00 0.00 34.50 30.51 2yqq s PRO 32 CO 0.21 -0.94 0.19 1.52 0.04 0.00 0.00 177.00 178.02 2yqq s TYR 33 N 4.23 -0.24 -0.00 0.56 -0.85 -0.78 -2.75 117.35 117.52 2yqq s TYR 33 Ca 0.68 0.64 -0.03 0.00 -0.52 0.00 0.00 57.07 57.84 2yqq s TYR 33 Cb -0.28 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 41.97 2yqq s TYR 33 CO 0.26 -0.22 0.61 0.00 -1.52 0.00 0.00 175.55 174.67 2yqq n SER 35 N -2.42 3.22 -0.09 0.00 7.64 -1.26 -4.24 113.62 116.47 2yqq n SER 35 Ca -0.01 -3.09 -0.09 0.00 1.01 0.00 0.00 58.87 56.69 2yqq n SER 35 Cb 0.04 0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2yqq n SER 35 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2yqq h VAL 36 N 1.12 1.13 -0.93 0.44 -1.51 -1.98 -2.90 116.25 111.61 2yqq h VAL 36 Ca -0.39 -0.34 0.11 0.00 -1.23 0.00 0.00 66.70 64.85 2yqq h VAL 36 Cb 1.24 0.82 -0.13 0.00 -2.13 0.00 0.00 31.29 31.09 2yqq h VAL 36 CO 0.65 0.13 -0.47 0.52 -1.23 0.00 0.00 177.57 177.17 2yqq n VAL 37 N -4.82 -0.57 -0.24 7.19 0.31 -1.26 0.10 118.33 119.05 2yqq n VAL 37 Ca -0.02 2.23 -0.01 0.00 -0.01 0.00 0.00 64.34 66.52 2yqq n VAL 37 Cb 0.08 -2.83 0.19 0.00 -0.91 0.00 0.00 33.84 30.36 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 1.05 0.10 0.32 0.00 3.57 0.86 -3.11 116.94 119.73 2yqq h PHE 39 Ca 0.27 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2yqq h PHE 39 Cb 0.00 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2yqq h PHE 39 CO 0.01 0.42 -0.23 0.00 -2.23 0.00 0.00 178.31 176.27 2yqq h ARG 40 N 0.08 -0.51 -1.05 1.11 3.08 0.12 0.24 114.38 117.45 2yqq h ARG 40 Ca 0.01 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.37 2yqq h ARG 40 Cb 0.64 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.70 2yqq h ARG 40 CO 0.05 -0.34 0.66 0.87 -1.07 0.00 0.00 179.97 180.14 2yqq h LYS 41 N -0.53 0.40 0.33 0.04 1.57 -1.59 -2.22 116.57 114.57 2yqq h LYS 41 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2yqq h LYS 41 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2yqq h LYS 41 CO 0.02 0.26 -0.16 1.25 -0.57 0.00 0.00 179.45 180.25 2yqq h HIS 42 N 0.41 -0.42 -0.84 -1.35 -0.00 -1.39 -3.19 115.15 108.37 2yqq h HIS 42 Ca 0.63 -0.01 0.35 0.00 -0.00 0.00 0.00 60.37 61.33 2yqq h HIS 42 Cb 1.52 0.14 -0.15 0.00 -0.00 0.00 0.00 27.41 28.92 2yqq h HIS 42 CO -0.00 -0.26 0.44 1.17 -0.00 0.00 0.00 177.93 179.27 2yqq n LYS 43 N -3.75 -0.05 -0.32 5.26 4.81 0.81 0.38 118.16 125.30 2yqq n LYS 43 Ca -0.06 1.17 0.14 0.00 -0.87 0.00 0.00 58.31 58.70 2yqq n LYS 43 Cb 0.18 -2.09 0.28 0.00 0.02 0.00 0.00 35.03 33.42 2yqq n LYS 43 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2yqq n GLU 44 N -4.92 -0.07 -0.65 1.64 1.02 -0.92 -0.59 120.64 116.15 2yqq n GLU 44 Ca 0.31 1.37 0.06 0.00 -0.02 0.00 0.00 57.16 58.88 2yqq n GLU 44 Cb 1.07 -2.19 0.13 0.00 -0.02 0.00 0.00 31.44 30.43 2yqq n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqq n GLN 45 N -5.33 1.01 -1.67 3.49 10.64 0.16 -5.03 117.38 120.64 2yqq n GLN 45 Ca 0.22 -2.60 -0.38 0.00 -1.83 0.00 0.00 57.00 52.40 2yqq n GLN 45 Cb 0.73 -1.13 -0.03 0.00 -0.86 0.00 0.00 30.24 28.95 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 10.31 5.06 0.00 0.00 3.84 -1.26 -4.95 114.94 127.95 2yqq s ASN 47 Ca 0.92 -1.88 0.09 0.00 0.21 0.00 0.00 52.86 52.19 2yqq s ASN 47 Cb -0.20 -1.76 0.51 0.00 -0.55 0.00 0.00 41.25 39.25 2yqq s ASN 47 CO 0.28 -0.44 0.95 -0.81 -2.79 0.00 0.00 177.10 174.29 2yqq n PRO 48 N 4.53 0.49 -3.37 0.43 -0.04 -1.26 -4.46 135.00 131.31 2yqq n PRO 48 Ca -0.03 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.98 2yqq n PRO 48 Cb 0.42 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 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 3.06 0.02 0.54 2.02 -1.26 -4.91 118.70 116.17 2yqq s GLU 49 Ca 0.13 -1.97 0.05 0.00 0.02 0.00 0.00 54.97 53.20 2yqq s GLU 49 Cb 0.06 -4.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.00 2yqq s GLU 49 CO 0.10 -1.29 -0.13 -0.08 0.02 0.00 0.00 175.26 173.88 2yqq s THR 50 N 1.08 3.20 0.04 3.63 -1.32 -1.26 -5.13 115.64 115.87 2yqq s THR 50 Ca 0.08 -0.99 0.08 0.00 -1.21 0.00 0.00 61.69 59.65 2yqq s THR 50 Cb -0.23 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 2yqq s THR 50 CO -0.01 0.36 -0.22 -0.94 -2.21 0.00 0.00 174.62 171.60 2yqq s SER 51 N -1.43 2.68 0.00 8.08 1.04 -1.26 -5.03 113.70 117.78 2yqq s SER 51 Ca 0.16 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2yqq s SER 51 Cb -0.11 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2yqq s SER 51 CO 0.06 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2yqq n GLY 52 N 1.89 0.44 3.60 7.32 0.00 -1.26 -4.79 105.19 112.39 2yqq n GLY 52 Ca -0.17 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 3.40 -1.13 1.61 0.04 -1.26 -4.91 135.00 132.76 2yqq s PRO 53 Ca 0.00 1.31 -0.23 0.00 0.04 0.00 0.00 61.00 62.12 2yqq s PRO 53 Cb 0.00 -4.15 -0.07 0.00 0.04 0.00 0.00 34.50 30.32 2yqq s PRO 53 CO 0.00 -1.78 1.92 -1.12 0.04 0.00 0.00 177.00 176.07 2yqq s SER 54 N 5.52 5.14 -0.93 6.66 0.01 -1.26 -4.84 113.70 123.99 2yqq s SER 54 Ca 0.75 -1.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 2yqq s SER 54 Cb -0.20 -2.58 0.23 0.00 0.21 0.00 0.00 66.02 63.68 2yqq s SER 54 CO 0.33 -2.92 0.84 -0.44 0.41 0.00 0.00 173.24 171.47 2yqq s SER 55 N 6.73 6.25 0.00 2.44 0.01 -1.26 -5.21 113.70 122.66 2yqq s SER 55 Ca 0.68 -3.69 0.00 0.00 1.31 0.00 0.00 55.95 54.24 2yqq s SER 55 Cb -0.02 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2yqq s SER 55 CO 0.10 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.15