#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 2.24 -0.45 0.66 1.51 -1.26 -5.02 117.35 115.02 1tpn s TYR 2 Ca 0.00 0.54 0.09 0.00 -1.01 0.00 0.00 57.07 56.69 1tpn s TYR 2 Cb 0.00 -3.80 0.38 0.00 -0.11 0.00 0.00 41.96 38.43 1tpn s TYR 2 CO 0.00 -2.26 0.94 0.00 -1.11 0.00 0.00 175.55 173.12 1tpn n GLN 3 N -3.58 2.40 -2.33 -0.62 0.00 -1.26 -4.84 117.38 107.15 1tpn n GLN 3 Ca 0.12 -4.16 -0.23 0.00 0.00 0.00 0.00 57.00 52.72 1tpn n GLN 3 Cb 0.60 -1.95 0.01 0.00 0.00 0.00 0.00 30.24 28.90 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1tpn n VAL 4 N -0.15 2.28 -2.77 -0.39 0.24 -1.26 -5.06 118.33 111.22 1tpn n VAL 4 Ca 0.28 -4.43 -0.21 0.00 -2.04 0.00 0.00 64.34 57.94 1tpn n VAL 4 Cb 0.59 -0.96 0.06 0.00 -1.47 0.00 0.00 33.84 32.07 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 -4.93 2.39 -0.20 1.34 -4.36 -1.26 -2.41 121.20 111.77 1tpn s ILE 5 Ca 0.47 -0.77 -0.03 0.00 -0.26 0.00 0.00 60.65 60.05 1tpn s ILE 5 Cb 0.40 -2.62 0.06 0.00 1.25 0.00 0.00 42.46 41.56 1tpn s ILE 5 CO -0.08 0.00 0.06 0.00 0.24 0.00 0.00 174.94 175.16 1tpn s ARG 7 N 1.94 3.86 -0.43 0.00 3.52 -1.26 -1.10 118.95 125.48 1tpn s ARG 7 Ca 0.01 0.37 -0.17 0.00 -0.13 0.00 0.00 55.73 55.81 1tpn s ARG 7 Cb -0.17 -3.76 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1tpn s ARG 7 CO -0.11 -0.69 0.43 0.34 -0.81 0.00 0.00 175.30 174.46 1tpn s ASP 8 N 1.69 6.19 0.00 -2.12 2.15 -0.62 -4.91 116.67 119.05 1tpn s ASP 8 Ca 0.29 -0.74 0.27 0.00 0.43 0.00 0.00 52.55 52.80 1tpn s ASP 8 Cb -0.14 -2.22 1.63 0.00 -0.30 0.00 0.00 42.92 41.89 1tpn s ASP 8 CO 0.13 -0.59 2.01 -1.84 -0.17 0.00 0.00 175.17 174.72 1tpn n GLU 9 N 5.56 0.94 0.02 4.34 0.28 -1.26 0.40 120.64 130.93 1tpn n GLU 9 Ca -0.08 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.05 1tpn n GLU 9 Cb 0.47 -1.45 0.44 0.00 1.43 0.00 0.00 31.44 32.33 1tpn n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1tpn n LYS 10 N -0.95 0.06 0.00 3.44 4.01 -1.26 -4.19 118.16 119.28 1tpn n LYS 10 Ca 0.20 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 1tpn n LYS 10 Cb 0.09 -1.56 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 1tpn n LYS 10 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1tpn n THR 11 N -1.66 0.00 -2.42 -0.18 5.66 -1.15 -5.02 114.28 109.50 1tpn n THR 11 Ca 0.06 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1tpn n THR 11 Cb 0.36 0.26 0.01 0.00 -1.55 0.00 0.00 70.33 69.41 1tpn n THR 11 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1tpn n GLN 12 N 0.00 -0.83 -5.16 1.09 7.27 0.16 -5.04 117.38 114.87 1tpn n GLN 12 Ca 0.00 0.14 -0.30 0.00 0.07 0.00 0.00 57.00 56.91 1tpn n GLN 12 Cb 0.00 -3.35 -0.16 0.00 2.41 0.00 0.00 30.24 29.13 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 -4.78 2.40 0.01 3.69 1.75 -0.96 -4.94 119.30 116.48 1tpn s MET 13 Ca 0.05 -0.83 -0.02 0.00 -1.25 0.00 0.00 55.69 53.64 1tpn s MET 13 Cb -0.02 -2.03 -0.04 0.00 2.84 0.00 0.00 34.83 35.58 1tpn s MET 13 CO 0.07 0.33 0.19 0.42 -0.65 0.00 0.00 175.02 175.37 1tpn s ILE 14 N -0.07 5.38 0.21 10.11 1.01 -1.26 -1.59 121.20 134.99 1tpn s ILE 14 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1tpn s ILE 14 Cb -0.14 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1tpn s ILE 14 CO 0.04 0.27 0.08 -0.31 0.00 0.00 0.00 174.94 175.02 1tpn s TYR 15 N -1.38 1.31 0.52 3.97 2.02 -0.26 -4.92 117.35 118.62 1tpn s TYR 15 Ca 0.29 -1.21 -0.05 0.00 -0.37 0.00 0.00 57.07 55.74 1tpn s TYR 15 Cb -0.13 -0.73 0.11 0.00 -0.40 0.00 0.00 41.96 40.81 1tpn s TYR 15 CO 0.21 -0.41 0.71 1.04 -1.57 0.00 0.00 175.55 175.53 1tpn n GLN 16 N -0.34 -0.28 -2.00 -0.62 6.02 -1.26 0.94 117.38 119.84 1tpn n GLN 16 Ca -0.01 -1.47 -0.33 0.00 -0.01 0.00 0.00 57.00 55.18 1tpn n GLN 16 Cb 0.65 -0.61 0.02 0.00 1.02 0.00 0.00 30.24 31.32 1tpn n GLN 16 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1tpn s GLN 17 N -4.39 3.18 -0.84 -1.09 0.74 -1.01 -2.97 119.66 113.28 1tpn s GLN 17 Ca 0.43 1.31 0.00 0.00 0.05 0.00 0.00 55.36 57.15 1tpn s GLN 17 Cb -0.02 -2.01 0.00 0.00 1.10 0.00 0.00 33.01 32.09 1tpn s GLN 17 CO 0.29 -0.94 0.00 0.72 -0.55 0.00 0.00 175.29 174.82 1tpn n HIS 18 N -2.03 -0.78 -3.54 1.67 8.25 -0.20 -4.88 115.22 113.71 1tpn n HIS 18 Ca 0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.18 1tpn n HIS 18 Cb 0.52 -2.01 -0.06 0.00 1.12 0.00 0.00 29.99 29.56 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 -3.09 4.02 -0.12 -0.41 2.00 -1.16 -4.77 119.66 116.13 1tpn s GLN 19 Ca 0.00 0.24 -0.10 0.00 -2.00 0.00 0.00 55.36 53.50 1tpn s GLN 19 Cb 0.00 -3.31 -0.05 0.00 0.80 0.00 0.00 33.01 30.45 1tpn s GLN 19 CO 0.00 0.48 0.21 -1.54 -0.50 0.00 0.00 175.29 173.94 1tpn s SER 20 N -0.34 6.43 -0.13 6.67 1.04 -1.26 -1.95 113.70 124.17 1tpn s SER 20 Ca 0.20 0.51 -0.05 0.00 0.48 0.00 0.00 55.95 57.10 1tpn s SER 20 Cb -0.15 -2.12 0.06 0.00 0.10 0.00 0.00 66.02 63.91 1tpn s SER 20 CO 0.08 0.30 0.27 -1.66 0.98 0.00 0.00 173.24 173.21 1tpn s TRP 21 N -0.50 -0.43 0.76 5.02 -2.14 0.86 -4.98 118.94 117.53 1tpn s TRP 21 Ca 0.15 0.97 -0.12 0.00 2.66 0.00 0.00 56.10 59.77 1tpn s TRP 21 Cb -0.13 -0.00 0.05 0.00 -3.10 0.00 0.00 33.47 30.29 1tpn s TRP 21 CO 0.04 -0.34 1.12 -0.51 -2.66 0.00 0.00 176.95 174.61 1tpn s LEU 22 N 2.21 2.70 0.06 -4.66 2.01 -1.26 -2.69 118.68 117.05 1tpn s LEU 22 Ca -0.01 1.06 -0.05 0.00 0.01 0.00 0.00 54.13 55.14 1tpn s LEU 22 Cb -0.12 -3.72 -0.02 0.00 0.01 0.00 0.00 46.19 42.34 1tpn s LEU 22 CO -0.09 -1.65 0.09 -0.13 1.01 0.00 0.00 176.35 175.58 1tpn s ARG 23 N -5.38 0.70 1.11 1.70 0.52 0.14 -4.92 118.95 112.82 1tpn s ARG 23 Ca 0.60 -1.00 -0.19 0.00 -0.52 0.00 0.00 55.73 54.62 1tpn s ARG 23 Cb -0.12 0.27 0.10 0.00 0.52 0.00 0.00 34.95 35.72 1tpn s ARG 23 CO 0.52 -0.18 -0.05 -2.30 0.02 0.00 0.00 175.30 173.30 1tpn n PRO 24 N 0.20 -1.69 -2.20 3.54 -0.02 -1.26 -1.68 135.00 131.90 1tpn n PRO 24 Ca -0.16 -0.48 -0.27 0.00 -2.02 0.00 0.00 63.50 60.57 1tpn n PRO 24 Cb 0.61 -1.62 0.12 0.00 -0.02 0.00 0.00 33.50 32.59 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 -2.19 2.13 0.00 -1.45 -7.23 -1.25 -3.69 120.40 106.71 1tpn s VAL 25 Ca 0.52 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1tpn s VAL 25 Cb -0.09 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1tpn s VAL 25 CO 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.40 1tpn n LEU 26 N -3.22 1.39 0.00 1.32 -0.00 -1.26 -4.93 117.00 110.30 1tpn n LEU 26 Ca 0.12 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1tpn n LEU 26 Cb 0.60 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1tpn n LEU 26 CO 0.47 -0.10 -0.22 0.54 -0.00 0.00 0.00 177.39 178.08 1tpn n ARG 27 N -1.19 3.31 0.00 1.47 1.74 -1.26 -5.03 116.66 115.70 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 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.67 0.00 -0.35 0.55 7.64 -1.26 -5.04 113.62 114.50 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 -4.85 6.43 2.85 -1.26 -5.01 115.26 113.42 1tpn n ASN 29 Ca 0.00 -1.34 -0.30 0.00 -0.11 0.00 0.00 54.58 52.84 1tpn n ASN 29 Cb 0.00 -0.07 0.08 0.00 1.24 0.00 0.00 39.78 41.03 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1tpn s ARG 30 N 0.00 2.18 -0.09 1.20 0.52 -1.26 -4.32 118.95 117.18 1tpn s ARG 30 Ca 0.00 0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 55.59 1tpn s ARG 30 Cb 0.00 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 1tpn s ARG 30 CO 0.00 -1.50 -0.03 0.14 0.02 0.00 0.00 175.30 173.93 1tpn s VAL 31 N -3.35 3.99 -0.47 3.52 -7.23 -1.06 -3.88 120.40 111.91 1tpn s VAL 31 Ca 0.61 -0.36 -0.23 0.00 -1.81 0.00 0.00 61.98 60.18 1tpn s VAL 31 Cb -0.12 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.17 1tpn s VAL 31 CO 0.52 0.58 0.81 -1.61 -0.31 0.00 0.00 175.10 175.09 1tpn s GLU 32 N -0.58 3.38 -0.19 4.82 2.02 -0.68 -3.45 118.70 124.02 1tpn s GLU 32 Ca 0.09 -0.18 -0.15 0.00 0.02 0.00 0.00 54.97 54.76 1tpn s GLU 32 Cb -0.12 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.10 1tpn s GLU 32 CO 0.02 -1.20 0.35 -0.47 0.02 0.00 0.00 175.26 173.98 1tpn s TYR 33 N 3.40 3.40 -0.13 1.61 6.14 -1.09 0.26 117.35 130.95 1tpn s TYR 33 Ca 0.29 0.59 -0.10 0.00 0.64 0.00 0.00 57.07 58.50 1tpn s TYR 33 Cb -0.13 -2.45 0.04 0.00 0.42 0.00 0.00 41.96 39.85 1tpn s TYR 33 CO 0.22 0.08 0.33 0.00 0.64 0.00 0.00 175.55 176.81 1tpn s TRP 35 N 0.72 0.72 -0.42 0.00 -2.14 0.16 -0.10 118.94 117.88 1tpn s TRP 35 Ca -0.04 -0.96 -0.27 0.00 2.66 0.00 0.00 56.10 57.49 1tpn s TRP 35 Cb -0.06 -0.45 0.02 0.00 -3.10 0.00 0.00 33.47 29.88 1tpn s TRP 35 CO -0.05 -0.24 1.00 0.00 -2.66 0.00 0.00 176.95 174.99 1tpn n ASN 37 N 7.17 0.60 0.00 0.00 2.85 -1.26 -1.03 115.26 123.58 1tpn n ASN 37 Ca 0.09 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1tpn n ASN 37 Cb 0.48 -0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 -1.96 0.00 0.00 1.20 7.64 -1.26 -4.87 113.62 114.37 1tpn n SER 38 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1tpn n SER 38 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.00 -0.37 0.03 0.23 0.00 -1.26 -5.01 105.19 98.82 1tpn n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.93 -2.89 1.61 1.85 -1.26 -4.92 116.66 113.98 1tpn n ARG 40 Ca 0.00 -1.51 -0.01 0.00 -1.00 0.00 0.00 57.85 55.32 1tpn n ARG 40 Cb 0.00 -1.01 -0.01 0.00 -1.05 0.00 0.00 32.46 30.38 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 -0.44 -2.61 -2.64 2.89 0.00 -1.26 -4.90 120.51 111.55 1tpn n ALA 41 Ca 0.01 0.75 -0.39 0.00 0.00 0.00 0.00 53.44 53.81 1tpn n ALA 41 Cb 0.26 -1.71 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.87 4.36 0.06 0.00 -0.44 0.39 -4.87 119.66 118.30 1tpn s GLN 42 Ca -0.07 0.70 0.03 0.00 -2.50 0.00 0.00 55.36 53.51 1tpn s GLN 42 Cb 0.00 -3.41 -0.03 0.00 -1.64 0.00 0.00 33.01 27.94 1tpn s GLN 42 CO 0.41 0.20 -0.10 0.00 0.50 0.00 0.00 175.29 176.31 1tpn n HIS 44 N 1.14 -0.21 -3.70 0.00 1.44 0.45 -4.99 115.22 109.35 1tpn n HIS 44 Ca -0.20 -0.37 -0.16 0.00 -2.01 0.00 0.00 57.72 54.97 1tpn n HIS 44 Cb 0.56 0.05 -0.16 0.00 0.12 0.00 0.00 29.99 30.56 1tpn n HIS 44 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1tpn s SER 45 N -1.32 0.49 -0.03 4.39 0.15 -1.26 -2.65 113.70 113.47 1tpn s SER 45 Ca 0.05 0.26 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1tpn s SER 45 Cb 0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1tpn s SER 45 CO 0.04 -0.21 -0.11 -0.69 1.20 0.00 0.00 173.24 173.46 1tpn s VAL 46 N 1.85 0.98 1.07 4.45 1.01 -1.22 -5.03 120.40 123.51 1tpn s VAL 46 Ca -0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1tpn s VAL 46 Cb -0.12 -0.86 0.23 0.00 0.00 0.00 0.00 36.38 35.62 1tpn s VAL 46 CO -0.05 0.30 0.51 -2.65 0.00 0.00 0.00 175.10 173.21 1tpn n PRO 47 N 3.29 -2.10 -0.74 2.72 -0.02 -1.26 -2.58 135.00 134.31 1tpn n PRO 47 Ca -0.19 -0.86 -0.14 0.00 -2.02 0.00 0.00 63.50 60.30 1tpn n PRO 47 Cb 0.54 -1.52 0.11 0.00 -0.02 0.00 0.00 33.50 32.61 1tpn n PRO 47 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1tpn n VAL 48 N -4.67 2.33 -1.58 -1.45 3.14 -1.26 -4.45 118.33 110.38 1tpn n VAL 48 Ca 0.08 -1.16 -0.49 0.00 -2.96 0.00 0.00 64.34 59.82 1tpn n VAL 48 Cb 0.35 -0.67 -0.04 0.00 -1.06 0.00 0.00 33.84 32.42 1tpn n VAL 48 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1tpn n LYS 49 N -0.48 1.18 0.00 1.45 2.85 -1.26 -5.10 118.16 116.80 1tpn n LYS 49 Ca 0.36 0.42 0.00 0.00 -1.05 0.00 0.00 58.31 58.04 1tpn n LYS 49 Cb 1.21 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80