#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpn s TYR 2 N 0.00 3.80 -0.16 7.33 2.02 -1.26 -5.06 117.35 124.03 1tpn s TYR 2 Ca 0.00 1.41 -0.04 0.00 -0.37 0.00 0.00 57.07 58.06 1tpn s TYR 2 Cb 0.00 -2.60 0.08 0.00 -0.40 0.00 0.00 41.96 39.03 1tpn s TYR 2 CO 0.00 0.50 0.26 -1.14 -1.57 0.00 0.00 175.55 173.61 1tpn s GLN 3 N -1.35 0.17 0.00 -0.62 2.00 -1.26 -4.99 119.66 113.61 1tpn s GLN 3 Ca 0.35 0.61 0.00 0.00 -2.00 0.00 0.00 55.36 54.31 1tpn s GLN 3 Cb -0.20 -0.34 0.00 0.00 0.80 0.00 0.00 33.01 33.27 1tpn s GLN 3 CO 0.22 -0.40 0.23 1.33 -0.50 0.00 0.00 175.29 176.17 1tpn n VAL 4 N 5.34 0.00 -4.03 1.34 0.24 -1.26 -4.81 118.33 115.15 1tpn n VAL 4 Ca -0.06 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.00 1tpn n VAL 4 Cb 0.50 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.60 1tpn n VAL 4 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1tpn s ILE 5 N 0.00 2.36 -0.18 1.34 -4.36 -1.26 0.10 121.20 119.20 1tpn s ILE 5 Ca 0.00 -1.63 -0.05 0.00 -0.26 0.00 0.00 60.65 58.71 1tpn s ILE 5 Cb 0.00 -2.99 0.06 0.00 1.25 0.00 0.00 42.46 40.78 1tpn s ILE 5 CO 0.00 0.00 0.09 0.00 0.24 0.00 0.00 174.94 175.27 1tpn s ARG 7 N 2.10 3.68 -0.23 0.00 3.52 -1.26 -1.33 118.95 125.42 1tpn s ARG 7 Ca 0.02 0.17 -0.08 0.00 -0.13 0.00 0.00 55.73 55.71 1tpn s ARG 7 Cb -0.16 -3.83 -0.03 0.00 -1.56 0.00 0.00 34.95 29.37 1tpn s ARG 7 CO -0.11 -0.85 0.08 0.34 -0.81 0.00 0.00 175.30 173.94 1tpn s ASP 8 N 1.86 5.35 0.00 -2.12 -1.08 -1.07 -4.97 116.67 114.65 1tpn s ASP 8 Ca 0.29 -0.10 0.28 0.00 -0.52 0.00 0.00 52.55 52.49 1tpn s ASP 8 Cb -0.13 -1.95 1.10 0.00 -1.46 0.00 0.00 42.92 40.48 1tpn s ASP 8 CO 0.17 0.03 1.78 -1.84 0.52 0.00 0.00 175.17 175.82 1tpn n GLU 9 N 4.51 1.08 0.06 4.34 0.28 -1.26 -0.72 120.64 128.93 1tpn n GLU 9 Ca -0.16 -0.52 0.13 0.00 -0.16 0.00 0.00 57.16 56.45 1tpn n GLU 9 Cb 0.52 -1.49 0.37 0.00 1.43 0.00 0.00 31.44 32.27 1tpn n GLU 9 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1tpn n LYS 10 N -0.50 0.19 0.00 3.44 3.00 -1.26 -4.02 118.16 119.01 1tpn n LYS 10 Ca 0.16 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1tpn n LYS 10 Cb 0.31 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1tpn n LYS 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1tpn n THR 11 N -2.00 0.00 -2.61 3.15 -2.24 -1.24 -5.02 114.28 104.33 1tpn n THR 11 Ca 0.05 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 1tpn n THR 11 Cb 0.41 0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1tpn n THR 11 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1tpn n GLN 12 N -0.68 -1.69 -3.88 -0.78 7.27 0.10 -5.05 117.38 112.67 1tpn n GLN 12 Ca 0.00 0.19 -0.14 0.00 0.07 0.00 0.00 57.00 57.12 1tpn n GLN 12 Cb 0.05 -3.26 -0.15 0.00 2.41 0.00 0.00 30.24 29.30 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1tpn s MET 13 N -4.98 0.06 -0.11 3.69 1.75 -1.00 -4.99 119.30 113.73 1tpn s MET 13 Ca 0.09 0.03 -0.11 0.00 -1.25 0.00 0.00 55.69 54.45 1tpn s MET 13 Cb -0.04 -0.14 -0.05 0.00 2.84 0.00 0.00 34.83 37.44 1tpn s MET 13 CO 0.16 -0.04 0.26 0.42 -0.65 0.00 0.00 175.02 175.17 1tpn s ILE 14 N 0.34 5.31 0.38 10.11 1.01 -1.26 -2.58 121.20 134.51 1tpn s ILE 14 Ca -0.03 0.48 0.08 0.00 0.00 0.00 0.00 60.65 61.18 1tpn s ILE 14 Cb -0.05 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1tpn s ILE 14 CO -0.01 0.53 0.28 -0.31 0.00 0.00 0.00 174.94 175.42 1tpn s TYR 15 N -0.49 2.74 -0.31 3.97 2.02 -0.44 -4.88 117.35 119.95 1tpn s TYR 15 Ca 0.17 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 1tpn s TYR 15 Cb -0.13 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1tpn s TYR 15 CO 0.06 0.09 0.03 -0.65 -1.57 0.00 0.00 175.55 173.51 1tpn s GLN 16 N -4.00 2.53 0.00 -0.62 -0.21 -1.26 -1.24 119.66 114.85 1tpn s GLN 16 Ca 0.43 -1.21 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1tpn s GLN 16 Cb -0.02 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 30.73 1tpn s GLN 16 CO 0.26 -0.61 0.00 0.94 -2.12 0.00 0.00 175.29 173.75 1tpn n GLN 17 N 4.69 0.00 -2.36 2.91 7.27 0.29 -3.39 117.38 126.78 1tpn n GLN 17 Ca -0.13 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.75 1tpn n GLN 17 Cb 0.44 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.08 1tpn n GLN 17 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1tpn n HIS 18 N 0.00 -1.05 -4.11 3.69 8.25 0.50 -4.96 115.22 117.55 1tpn n HIS 18 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1tpn n HIS 18 Cb 0.00 -3.66 -0.11 0.00 1.12 0.00 0.00 29.99 27.34 1tpn n HIS 18 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1tpn s GLN 19 N -4.96 3.80 -0.06 -0.41 2.00 -1.22 -4.85 119.66 113.98 1tpn s GLN 19 Ca 0.00 -0.43 -0.18 0.00 -2.00 0.00 0.00 55.36 52.75 1tpn s GLN 19 Cb 0.00 -3.12 -0.05 0.00 0.80 0.00 0.00 33.01 30.64 1tpn s GLN 19 CO 0.00 0.18 0.50 -1.54 -0.50 0.00 0.00 175.29 173.92 1tpn s SER 20 N 0.59 6.80 -0.18 6.67 1.04 -1.26 -2.60 113.70 124.76 1tpn s SER 20 Ca 0.01 0.96 -0.05 0.00 0.48 0.00 0.00 55.95 57.34 1tpn s SER 20 Cb -0.14 -2.30 0.09 0.00 0.10 0.00 0.00 66.02 63.77 1tpn s SER 20 CO 0.02 0.11 0.35 -1.66 0.98 0.00 0.00 173.24 173.03 1tpn s TRP 21 N -0.02 -0.65 0.70 5.02 -2.14 0.16 -4.97 118.94 117.03 1tpn s TRP 21 Ca 0.27 1.14 -0.03 0.00 2.66 0.00 0.00 56.10 60.14 1tpn s TRP 21 Cb -0.16 0.10 0.10 0.00 -3.10 0.00 0.00 33.47 30.40 1tpn s TRP 21 CO 0.13 -0.49 0.98 -0.51 -2.66 0.00 0.00 176.95 174.40 1tpn s LEU 22 N 2.52 2.99 0.07 -4.66 1.02 -1.26 -2.30 118.68 117.06 1tpn s LEU 22 Ca 0.02 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.12 1tpn s LEU 22 Cb -0.13 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.59 1tpn s LEU 22 CO -0.12 -1.72 -0.04 -0.13 0.02 0.00 0.00 176.35 174.36 1tpn s ARG 23 N -5.14 0.67 1.07 1.70 0.52 0.25 -4.87 118.95 113.15 1tpn s ARG 23 Ca 0.64 -1.23 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 1tpn s ARG 23 Cb -0.07 0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.45 1tpn s ARG 23 CO 0.44 -0.07 -0.48 -2.30 0.02 0.00 0.00 175.30 172.90 1tpn n PRO 24 N 0.14 -1.01 -2.26 3.54 -0.02 -1.26 -2.04 135.00 132.10 1tpn n PRO 24 Ca -0.14 -0.28 -0.25 0.00 -2.02 0.00 0.00 63.50 60.81 1tpn n PRO 24 Cb 0.61 -1.47 0.08 0.00 -0.02 0.00 0.00 33.50 32.69 1tpn n PRO 24 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1tpn s VAL 25 N -2.16 2.28 0.00 -1.45 -7.23 -1.26 -4.02 120.40 106.56 1tpn s VAL 25 Ca 0.49 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1tpn s VAL 25 Cb -0.05 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1tpn s VAL 25 CO 0.67 0.00 0.33 0.18 -0.31 0.00 0.00 175.10 175.96 1tpn n LEU 26 N -2.92 0.29 0.00 1.32 4.77 -1.26 -4.87 117.00 114.34 1tpn n LEU 26 Ca 0.09 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1tpn n LEU 26 Cb 0.60 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1tpn n LEU 26 CO 0.50 -0.42 0.00 0.54 -1.33 0.00 0.00 177.39 176.68 1tpn n ARG 27 N -1.77 0.15 0.00 3.23 1.74 -1.26 -5.07 116.66 113.68 1tpn n ARG 27 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1tpn n ARG 27 Cb 0.00 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 1tpn n ARG 27 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1tpn n SER 28 N 0.00 0.00 -0.04 0.55 7.64 -1.26 -5.03 113.62 115.47 1tpn n SER 28 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tpn n SER 28 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tpn n SER 28 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1tpn n ASN 29 N 0.00 0.00 -3.04 6.43 2.85 -1.26 -5.04 115.26 115.20 1tpn n ASN 29 Ca 0.00 -1.04 -0.16 0.00 -0.11 0.00 0.00 54.58 53.27 1tpn n ASN 29 Cb 0.00 -0.01 0.12 0.00 1.24 0.00 0.00 39.78 41.14 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1tpn n ARG 30 N 0.00 -1.63 -4.10 1.20 1.74 -1.26 -4.65 116.66 107.95 1tpn n ARG 30 Ca 0.00 -0.98 -0.16 0.00 -0.77 0.00 0.00 57.85 55.94 1tpn n ARG 30 Cb 0.51 -0.81 -0.15 0.00 -1.02 0.00 0.00 32.46 30.99 1tpn n ARG 30 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1tpn s VAL 31 N -2.22 0.35 -0.36 1.55 -7.23 -1.26 -4.20 120.40 107.03 1tpn s VAL 31 Ca 0.38 -0.16 -0.21 0.00 -1.81 0.00 0.00 61.98 60.18 1tpn s VAL 31 Cb -0.03 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.60 1tpn s VAL 31 CO 0.28 0.11 0.67 -1.61 -0.31 0.00 0.00 175.10 174.25 1tpn s GLU 32 N 0.06 3.68 -0.27 4.82 2.02 -0.86 -3.60 118.70 124.55 1tpn s GLU 32 Ca -0.00 0.11 -0.20 0.00 0.02 0.00 0.00 54.97 54.89 1tpn s GLU 32 Cb -0.04 -3.81 -0.02 0.00 0.10 0.00 0.00 34.13 30.37 1tpn s GLU 32 CO -0.00 -0.77 0.64 -0.47 0.02 0.00 0.00 175.26 174.67 1tpn s TYR 33 N 2.81 3.26 -0.10 1.61 6.14 0.43 -0.59 117.35 130.91 1tpn s TYR 33 Ca 0.26 0.76 -0.02 0.00 0.64 0.00 0.00 57.07 58.71 1tpn s TYR 33 Cb -0.14 -2.90 0.03 0.00 0.42 0.00 0.00 41.96 39.38 1tpn s TYR 33 CO 0.15 -0.38 0.00 0.00 0.64 0.00 0.00 175.55 175.97 1tpn s TRP 35 N 1.93 0.96 -0.21 0.00 -2.14 0.16 0.38 118.94 120.02 1tpn s TRP 35 Ca 0.04 -0.63 -0.20 0.00 2.66 0.00 0.00 56.10 57.96 1tpn s TRP 35 Cb -0.13 -0.54 -0.03 0.00 -3.10 0.00 0.00 33.47 29.67 1tpn s TRP 35 CO -0.06 -0.03 0.61 0.00 -2.66 0.00 0.00 176.95 174.80 1tpn n ASN 37 N 5.13 0.65 0.00 0.00 2.85 -1.26 -0.37 115.26 122.26 1tpn n ASN 37 Ca -0.02 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1tpn n ASN 37 Cb 0.50 0.72 0.00 0.00 1.24 0.00 0.00 39.78 42.23 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1tpn n SER 38 N -2.34 0.00 0.00 1.20 7.64 -1.26 -4.80 113.62 114.06 1tpn n SER 38 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tpn n SER 38 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1tpn n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tpn n GLY 39 N -0.04 -0.47 0.90 0.23 0.00 -1.26 -4.33 105.19 100.22 1tpn n GLY 39 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1tpn n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1tpn n ARG 40 N 0.00 2.92 -2.95 1.61 1.85 -1.26 -4.87 116.66 113.96 1tpn n ARG 40 Ca 0.00 -2.33 -0.01 0.00 -1.00 0.00 0.00 57.85 54.51 1tpn n ARG 40 Cb 0.00 -1.44 -0.01 0.00 -1.05 0.00 0.00 32.46 29.96 1tpn n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tpn n ALA 41 N 0.73 -2.22 -2.30 2.89 0.00 -1.26 -4.91 120.51 113.44 1tpn n ALA 41 Ca 0.16 0.62 -0.37 0.00 0.00 0.00 0.00 53.44 53.85 1tpn n ALA 41 Cb 0.55 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 1tpn n ALA 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1tpn s GLN 42 N -0.65 4.10 0.13 0.00 -0.44 0.38 -4.88 119.66 118.30 1tpn s GLN 42 Ca -0.06 0.64 -0.13 0.00 -2.50 0.00 0.00 55.36 53.30 1tpn s GLN 42 Cb 0.00 -3.07 0.02 0.00 -1.64 0.00 0.00 33.01 28.32 1tpn s GLN 42 CO 0.29 0.55 0.34 0.00 0.50 0.00 0.00 175.29 176.97 1tpn s HIS 44 N -3.85 0.45 -0.15 0.00 -3.43 0.70 -4.99 115.29 104.02 1tpn s HIS 44 Ca 0.06 -0.95 -0.01 0.00 -0.80 0.00 0.00 55.06 53.36 1tpn s HIS 44 Cb 0.03 0.49 0.04 0.00 -1.43 0.00 0.00 32.58 31.70 1tpn s HIS 44 CO -0.10 -1.39 -0.05 0.45 -2.00 0.00 0.00 174.74 171.66 1tpn s SER 45 N -3.12 2.60 -0.24 7.38 0.15 -1.26 -0.43 113.70 118.79 1tpn s SER 45 Ca 0.21 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.31 1tpn s SER 45 Cb -0.03 -0.83 0.06 0.00 -1.71 0.00 0.00 66.02 63.51 1tpn s SER 45 CO 0.14 -0.18 -0.05 -0.69 1.20 0.00 0.00 173.24 173.66 1tpn s VAL 46 N 1.70 1.53 1.29 4.45 1.01 -1.24 -5.01 120.40 124.14 1tpn s VAL 46 Ca 0.02 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.55 1tpn s VAL 46 Cb -0.15 -1.82 0.30 0.00 0.00 0.00 0.00 36.38 34.72 1tpn s VAL 46 CO -0.08 -0.13 0.73 -2.65 0.00 0.00 0.00 175.10 172.98 1tpn n PRO 47 N 4.66 -3.51 0.22 2.72 -0.02 -1.26 -4.24 135.00 133.57 1tpn n PRO 47 Ca -0.11 -1.03 0.15 0.00 -2.02 0.00 0.00 63.50 60.49 1tpn n PRO 47 Cb 0.44 -1.90 0.80 0.00 -0.02 0.00 0.00 33.50 32.83 1tpn n PRO 47 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1tpn h VAL 48 N -3.09 0.00 -1.99 -1.45 3.04 -1.94 -3.42 116.25 107.40 1tpn h VAL 48 Ca -0.46 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.64 1tpn h VAL 48 Cb 1.25 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1tpn h VAL 48 CO 0.32 0.00 1.44 0.29 -1.01 0.00 0.00 177.57 178.60 1tpn n LYS 49 N -2.54 2.07 0.00 4.17 4.01 -1.26 -5.21 118.16 119.41 1tpn n LYS 49 Ca -0.02 0.62 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 1tpn n LYS 49 Cb 0.05 -3.14 0.00 0.00 -0.51 0.00 0.00 35.03 31.44 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74