#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1onj s GLU 2 N 0.00 3.78 0.05 1.96 2.12 -1.26 -0.93 118.70 124.41 1onj s GLU 2 Ca 0.00 -0.40 0.05 0.00 0.36 0.00 0.00 54.97 54.98 1onj s GLU 2 Cb 0.00 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 1onj s GLU 2 CO 0.00 0.32 -0.13 0.00 -0.54 0.00 0.00 175.26 174.91 1onj s HIS 4 N -1.02 2.87 0.00 0.00 3.76 -1.26 -0.72 115.29 118.91 1onj s HIS 4 Ca -0.01 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 1onj s HIS 4 Cb -0.09 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.38 1onj s HIS 4 CO 0.01 -1.24 0.44 0.27 -0.85 0.00 0.00 174.74 173.38 1onj n ASN 5 N -0.92 0.00 -4.84 1.40 6.94 -0.84 -2.47 115.26 114.52 1onj n ASN 5 Ca 0.09 -1.00 -0.31 0.00 -0.02 0.00 0.00 54.58 53.34 1onj n ASN 5 Cb 0.51 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.95 1onj n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1onj s GLN 6 N 0.00 3.33 0.09 -3.83 0.00 -1.25 -4.62 119.66 113.38 1onj s GLN 6 Ca 0.00 0.89 -0.09 0.00 -0.00 0.00 0.00 55.36 56.16 1onj s GLN 6 Cb 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 33.01 30.91 1onj s GLN 6 CO 0.00 -0.78 0.40 -0.65 0.00 0.00 0.00 175.29 174.26 1onj s GLN 7 N -4.92 3.74 0.00 9.60 -0.21 -1.26 -4.05 119.66 122.56 1onj s GLN 7 Ca 0.57 0.15 0.00 0.00 0.02 0.00 0.00 55.36 56.10 1onj s GLN 7 Cb -0.13 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 30.92 1onj s GLN 7 CO 0.51 0.54 0.00 0.43 -2.12 0.00 0.00 175.29 174.65 1onj n SER 8 N 0.76 0.00 -1.64 5.90 7.64 0.06 -1.15 113.62 125.20 1onj n SER 8 Ca -0.07 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.89 1onj n SER 8 Cb 0.52 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.08 1onj n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1onj n SER 9 N 1.95 4.88 -4.70 6.43 7.64 -1.26 -4.86 113.62 123.70 1onj n SER 9 Ca 0.00 -2.58 -0.30 0.00 1.01 0.00 0.00 58.87 56.99 1onj n SER 9 Cb 0.00 -0.61 0.14 0.00 -1.01 0.00 0.00 64.21 62.73 1onj n SER 9 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1onj s GLN 10 N -2.12 1.34 0.20 1.43 -0.21 -0.30 -4.90 119.66 115.09 1onj s GLN 10 Ca 0.50 1.18 -0.33 0.00 0.02 0.00 0.00 55.36 56.73 1onj s GLN 10 Cb 0.34 -1.79 -0.14 0.00 1.00 0.00 0.00 33.01 32.42 1onj s GLN 10 CO 0.21 -2.29 1.47 2.41 -2.12 0.00 0.00 175.29 174.96 1onj n THR 11 N -3.96 0.51 -1.76 -0.19 -1.04 -1.26 -4.86 114.28 101.72 1onj n THR 11 Ca 0.09 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 1onj n THR 11 Cb 0.53 -1.45 -0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1onj n THR 11 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1onj n PRO 12 N 2.61 2.56 -4.00 -2.82 -0.02 -1.26 -4.84 135.00 127.23 1onj n PRO 12 Ca 0.14 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.44 1onj n PRO 12 Cb 0.30 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.08 1onj n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1onj s THR 13 N -1.02 0.19 0.15 3.45 -4.23 -1.26 -5.02 115.64 107.90 1onj s THR 13 Ca 0.55 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1onj s THR 13 Cb -0.50 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1onj s THR 13 CO 0.62 -0.84 0.01 0.42 -0.54 0.00 0.00 174.62 174.29 1onj s THR 14 N -3.67 0.49 0.09 3.99 -4.23 -1.26 -1.99 115.64 109.05 1onj s THR 14 Ca 0.04 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1onj s THR 14 Cb 0.05 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 1onj s THR 14 CO -0.09 -0.54 -0.08 -1.59 -0.54 0.00 0.00 174.62 171.78 1onj s LYS 15 N -3.95 0.78 -0.36 3.99 -2.85 0.10 -4.86 119.74 112.59 1onj s LYS 15 Ca 0.22 -1.16 -0.14 0.00 -1.00 0.00 0.00 55.97 53.89 1onj s LYS 15 Cb 0.07 -0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 35.49 1onj s LYS 15 CO 0.02 0.03 0.26 0.99 0.10 0.00 0.00 175.35 176.75 1onj s THR 16 N -2.78 5.27 0.80 3.79 2.01 -1.26 -1.33 115.64 122.14 1onj s THR 16 Ca 0.05 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.64 1onj s THR 16 Cb -0.01 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 68.82 1onj s THR 16 CO -0.02 -0.08 1.17 0.00 -0.69 0.00 0.00 174.62 175.00 1onj n SER 18 N -3.37 4.74 0.00 0.00 3.41 -1.26 -4.60 113.62 112.55 1onj n SER 18 Ca 0.12 -3.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 1onj n SER 18 Cb 0.51 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1onj n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1onj n GLY 19 N 0.22 1.81 3.71 5.00 0.00 -1.26 -5.11 105.19 109.57 1onj n GLY 19 Ca 0.32 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1onj n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1onj n GLU 20 N 0.00 1.39 -0.17 1.61 4.71 -1.26 -4.93 120.64 121.99 1onj n GLU 20 Ca 0.00 0.52 0.06 0.00 -0.01 0.00 0.00 57.16 57.73 1onj n GLU 20 Cb 0.00 -2.46 0.14 0.00 -1.01 0.00 0.00 31.44 28.11 1onj n GLU 20 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1onj n THR 21 N -1.34 1.58 -4.06 2.62 -2.24 -1.26 -4.73 114.28 104.85 1onj n THR 21 Ca 0.12 -1.59 -0.08 0.00 -2.27 0.00 0.00 64.05 60.23 1onj n THR 21 Cb 0.46 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1onj n THR 21 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1onj s ASN 22 N -1.78 0.49 0.21 3.42 -0.87 -1.26 -4.61 114.94 110.53 1onj s ASN 22 Ca 0.25 -0.84 0.11 0.00 -1.57 0.00 0.00 52.86 50.81 1onj s ASN 22 Cb 0.19 0.16 -0.05 0.00 -0.02 0.00 0.00 41.25 41.53 1onj s ASN 22 CO 0.06 -0.49 -0.23 0.00 -2.57 0.00 0.00 177.10 173.87 1onj s TYR 24 N -1.81 0.64 -0.04 0.00 -0.85 -0.10 -1.38 117.35 113.81 1onj s TYR 24 Ca 0.22 -0.74 -0.01 0.00 -0.52 0.00 0.00 57.07 56.02 1onj s TYR 24 Cb -0.07 -0.40 0.03 0.00 0.38 0.00 0.00 41.96 41.90 1onj s TYR 24 CO 0.11 -0.18 0.05 0.21 -1.52 0.00 0.00 175.55 174.22 1onj s LYS 25 N -2.70 -0.03 -0.01 -3.49 2.20 -0.08 -2.20 119.74 113.44 1onj s LYS 25 Ca -0.01 0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.97 1onj s LYS 25 Cb -0.02 -0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 35.82 1onj s LYS 25 CO -0.03 -0.29 -0.17 -1.59 -0.36 0.00 0.00 175.35 172.91 1onj s LYS 26 N 1.89 1.38 0.01 4.03 -2.85 -0.17 -0.62 119.74 123.40 1onj s LYS 26 Ca 0.01 -0.61 -0.18 0.00 -1.00 0.00 0.00 55.97 54.20 1onj s LYS 26 Cb -0.12 -1.33 0.03 0.00 -2.06 0.00 0.00 37.83 34.35 1onj s LYS 26 CO -0.03 0.36 0.39 1.67 0.10 0.00 0.00 175.35 177.84 1onj s TRP 27 N -0.39 -0.26 0.36 1.78 -2.14 -0.35 -0.83 118.94 117.11 1onj s TRP 27 Ca 0.06 0.34 -0.17 0.00 2.66 0.00 0.00 56.10 59.00 1onj s TRP 27 Cb -0.07 0.18 0.05 0.00 -3.10 0.00 0.00 33.47 30.53 1onj s TRP 27 CO -0.01 -0.49 0.80 1.67 -2.66 0.00 0.00 176.95 176.26 1onj s TRP 28 N -1.80 0.08 0.15 1.66 -2.14 -0.98 -1.36 118.94 114.55 1onj s TRP 28 Ca -0.10 -0.72 0.08 0.00 2.66 0.00 0.00 56.10 58.03 1onj s TRP 28 Cb -0.03 0.82 -0.04 0.00 -3.10 0.00 0.00 33.47 31.12 1onj s TRP 28 CO 0.02 -1.50 -0.18 -1.12 -2.66 0.00 0.00 176.95 171.51 1onj s SER 29 N -3.07 2.58 0.00 -2.66 0.01 -1.26 -0.42 113.70 108.87 1onj s SER 29 Ca 0.15 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1onj s SER 29 Cb -0.05 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1onj s SER 29 CO 0.11 -0.03 0.00 -0.90 0.41 0.00 0.00 173.24 172.82 1onj n ASP 30 N 0.45 0.91 0.28 2.44 5.75 -0.42 -4.97 116.55 120.98 1onj n ASP 30 Ca -0.14 -0.80 0.19 0.00 -0.01 0.00 0.00 54.79 54.02 1onj n ASP 30 Cb 0.56 0.00 0.95 0.00 -1.03 0.00 0.00 41.12 41.61 1onj n ASP 30 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1onj h HIS 31 N 0.80 0.00 0.00 2.11 2.07 -2.04 -2.19 115.15 115.91 1onj h HIS 31 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1onj h HIS 31 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1onj h HIS 31 CO 0.00 0.00 -1.19 -2.13 -3.07 0.00 0.00 177.93 171.54 1onj n ARG 32 N -2.83 0.51 0.00 5.12 0.63 -1.26 -5.08 116.66 113.74 1onj n ARG 32 Ca -0.02 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1onj n ARG 32 Cb 0.10 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.33 1onj n ARG 32 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1onj n GLY 33 N 1.26 0.69 3.73 5.14 0.00 -0.82 -5.08 105.19 110.10 1onj n GLY 33 Ca -0.00 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1onj n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1onj s THR 34 N -2.48 4.63 -0.10 2.61 2.01 -1.26 -1.30 115.64 119.74 1onj s THR 34 Ca 0.00 1.93 -0.00 0.00 0.31 0.00 0.00 61.69 63.93 1onj s THR 34 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 1onj s THR 34 CO 0.00 0.31 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.52 1onj s ILE 35 N 0.15 3.48 -0.04 1.82 1.01 0.44 -4.91 121.20 123.14 1onj s ILE 35 Ca 0.45 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1onj s ILE 35 Cb -0.22 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1onj s ILE 35 CO 0.27 0.55 -0.08 -0.63 0.00 0.00 0.00 174.94 175.05 1onj s ILE 36 N -0.18 0.80 -0.04 2.92 1.01 -1.26 -2.32 121.20 122.13 1onj s ILE 36 Ca 0.02 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.41 1onj s ILE 36 Cb -0.13 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 1onj s ILE 36 CO 0.03 0.27 -0.21 -0.70 0.00 0.00 0.00 174.94 174.33 1onj s GLU 37 N 0.59 2.35 0.03 2.79 2.12 -0.01 -0.76 118.70 125.82 1onj s GLU 37 Ca -0.10 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.42 1onj s GLU 37 Cb -0.13 -2.20 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 1onj s GLU 37 CO 0.01 0.55 -0.07 1.03 -0.54 0.00 0.00 175.26 176.24 1onj s ARG 38 N -0.57 0.51 0.00 4.30 0.52 -1.26 -1.00 118.95 121.45 1onj s ARG 38 Ca 0.08 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1onj s ARG 38 Cb -0.11 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.04 1onj s ARG 38 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.80 1onj n GLY 39 N 1.76 -0.95 3.87 -3.53 0.00 -0.93 -4.36 105.19 101.04 1onj n GLY 39 Ca -0.21 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1onj n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1onj n GLY 41 N 0.04 -1.75 2.64 0.00 0.00 0.81 -4.77 105.19 102.16 1onj n GLY 41 Ca -0.01 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 1onj n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1onj s PRO 43 N 0.83 2.64 0.22 0.00 0.04 -1.26 -5.03 135.00 132.44 1onj s PRO 43 Ca 0.25 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1onj s PRO 43 Cb -0.05 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1onj s PRO 43 CO -0.09 -1.35 0.97 0.21 0.04 0.00 0.00 177.00 176.78 1onj s LYS 44 N -4.64 4.79 0.29 4.56 2.47 -1.26 -5.04 119.74 120.90 1onj s LYS 44 Ca 0.62 1.53 0.12 0.00 -1.56 0.00 0.00 55.97 56.68 1onj s LYS 44 Cb -0.17 -3.29 -0.05 0.00 -1.46 0.00 0.00 37.83 32.86 1onj s LYS 44 CO 0.50 0.40 -0.18 0.14 0.16 0.00 0.00 175.35 176.37 1onj s VAL 45 N -0.89 2.48 0.29 4.02 -7.23 -1.26 -5.11 120.40 112.69 1onj s VAL 45 Ca 0.43 -2.38 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1onj s VAL 45 Cb -0.26 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.23 1onj s VAL 45 CO 0.33 -0.38 1.20 -0.75 -0.31 0.00 0.00 175.10 175.19 1onj s LYS 46 N -3.52 4.50 0.43 4.82 2.47 -1.26 -4.95 119.74 122.22 1onj s LYS 46 Ca 0.30 2.00 -0.25 0.00 -1.56 0.00 0.00 55.97 56.46 1onj s LYS 46 Cb -0.04 -3.14 -0.10 0.00 -1.46 0.00 0.00 37.83 33.09 1onj s LYS 46 CO 0.15 0.00 1.15 -2.30 0.16 0.00 0.00 175.35 174.51 1onj n PRO 47 N 1.17 1.64 -0.08 4.03 -0.02 -1.26 -2.72 135.00 137.76 1onj n PRO 47 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1onj n PRO 47 Cb 0.43 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1onj n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1onj n GLY 48 N 0.99 0.49 3.90 -1.23 0.00 -1.26 -5.07 105.19 103.02 1onj n GLY 48 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1onj n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1onj s VAL 49 N -2.21 5.43 0.07 1.61 1.01 -1.10 -4.96 120.40 120.24 1onj s VAL 49 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 1onj s VAL 49 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1onj s VAL 49 CO 0.00 0.32 0.60 0.20 0.00 0.00 0.00 175.10 176.22 1onj s ASN 50 N -1.94 7.08 -0.04 3.32 0.01 -0.46 -4.95 114.94 117.97 1onj s ASN 50 Ca 0.27 1.29 -0.03 0.00 -0.71 0.00 0.00 52.86 53.68 1onj s ASN 50 Cb -0.13 -2.38 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1onj s ASN 50 CO 0.19 0.23 0.10 -0.22 -1.51 0.00 0.00 177.10 175.88 1onj s LEU 51 N -0.90 1.41 -0.10 0.60 2.96 -1.26 -1.21 118.68 120.18 1onj s LEU 51 Ca 0.30 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1onj s LEU 51 Cb -0.20 0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.80 1onj s LEU 51 CO 0.19 -0.06 -0.10 0.20 -1.32 0.00 0.00 176.35 175.27 1onj s ASN 52 N 0.37 2.10 -0.19 3.68 0.01 0.21 -4.99 114.94 116.13 1onj s ASN 52 Ca -0.03 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1onj s ASN 52 Cb -0.04 -0.87 0.02 0.00 0.41 0.00 0.00 41.25 40.77 1onj s ASN 52 CO -0.01 -0.07 -0.17 0.00 -1.51 0.00 0.00 177.10 175.34 1onj n THR 55 N -0.98 1.39 -4.28 0.00 -2.24 -1.26 -1.15 114.28 105.75 1onj n THR 55 Ca -0.08 -1.60 -0.17 0.00 -2.27 0.00 0.00 64.05 59.92 1onj n THR 55 Cb 0.67 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 1onj n THR 55 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1onj s THR 56 N -1.95 1.45 0.09 4.28 -4.23 -1.26 -4.92 115.64 109.10 1onj s THR 56 Ca 0.18 -1.97 -0.37 0.00 -1.18 0.00 0.00 61.69 58.35 1onj s THR 56 Cb 0.16 -1.79 -0.16 0.00 1.34 0.00 0.00 72.50 72.04 1onj s THR 56 CO 0.02 -0.55 1.37 0.47 -0.54 0.00 0.00 174.62 175.39 1onj n ASP 57 N 0.05 1.79 -2.41 3.99 10.43 -1.26 -1.81 116.55 127.32 1onj n ASP 57 Ca -0.12 1.11 -0.14 0.00 2.57 0.00 0.00 54.79 58.22 1onj n ASP 57 Cb 0.59 -1.21 -0.01 0.00 1.84 0.00 0.00 41.12 42.33 1onj n ASP 57 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1onj n ARG 58 N 2.65 -2.09 0.05 -1.24 1.74 0.41 -4.86 116.66 113.33 1onj n ARG 58 Ca 0.18 0.70 0.13 0.00 -0.77 0.00 0.00 57.85 58.09 1onj n ARG 58 Cb 0.20 -5.31 0.50 0.00 -1.02 0.00 0.00 32.46 26.83 1onj n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1onj n ASN 60 N -1.84 4.03 0.00 0.00 6.94 -1.26 -4.95 115.26 118.18 1onj n ASN 60 Ca 0.06 -3.68 0.11 0.00 -0.02 0.00 0.00 54.58 51.05 1onj n ASN 60 Cb 0.34 -0.80 0.68 0.00 -2.36 0.00 0.00 39.78 37.64 1onj n ASN 60 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03