#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 1.83 -0.97 7.33 2.02 -1.26 -4.65 117.35 121.65 1tpn s TYR 2 Ca 0.00 -0.11 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 1tpn s TYR 2 Cb 0.00 -3.13 -0.05 0.00 -0.40 0.00 0.00 41.96 38.37 1tpn s TYR 2 CO 0.00 -1.73 0.86 0.94 -1.57 0.00 0.00 175.55 174.05 1tpn n GLN 3 N -2.92 -1.99 0.00 -0.62 7.27 -1.26 -4.92 117.38 112.94 1tpn n GLN 3 Ca 0.14 1.03 0.12 0.00 0.07 0.00 0.00 57.00 58.36 1tpn n GLN 3 Cb 0.60 -5.80 0.10 0.00 2.41 0.00 0.00 30.24 27.56 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1tpn n VAL 4 N -2.85 0.00 -2.54 1.69 0.24 -1.26 -4.57 118.33 109.04 1tpn n VAL 4 Ca -0.05 -0.46 -0.06 0.00 -2.04 0.00 0.00 64.34 61.73 1tpn n VAL 4 Cb 0.59 1.43 0.03 0.00 -1.47 0.00 0.00 33.84 34.42 1tpn n VAL 4 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1tpn n ILE 5 N 1.14 0.00 -3.42 1.34 -5.35 -1.26 -1.80 119.36 110.01 1tpn n ILE 5 Ca 0.14 -0.45 -0.13 0.00 -0.27 0.00 0.00 62.75 62.04 1tpn n ILE 5 Cb 0.57 -1.14 -0.10 0.00 -1.74 0.00 0.00 39.64 37.24 1tpn n ILE 5 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tpn s ARG 7 N 2.46 4.05 -0.23 0.00 3.52 -1.26 -1.14 118.95 126.35 1tpn s ARG 7 Ca 0.10 0.52 -0.06 0.00 -0.13 0.00 0.00 55.73 56.16 1tpn s ARG 7 Cb -0.15 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 1tpn s ARG 7 CO -0.14 -0.49 0.03 0.34 -0.81 0.00 0.00 175.30 174.23 1tpn s ASP 8 N 1.52 4.88 0.00 -2.12 -1.08 -1.04 -4.97 116.67 113.86 1tpn s ASP 8 Ca 0.27 -0.24 0.28 0.00 -0.52 0.00 0.00 52.55 52.34 1tpn s ASP 8 Cb -0.15 -1.86 1.13 0.00 -1.46 0.00 0.00 42.92 40.58 1tpn s ASP 8 CO 0.10 -0.01 1.79 -1.84 0.52 0.00 0.00 175.17 175.73 1tpn n GLU 9 N 4.73 1.33 0.09 4.34 0.28 -1.26 -0.86 120.64 129.29 1tpn n GLU 9 Ca -0.17 -0.68 0.13 0.00 -0.16 0.00 0.00 57.16 56.28 1tpn n GLU 9 Cb 0.51 -1.49 0.31 0.00 1.43 0.00 0.00 31.44 32.21 1tpn n GLU 9 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1tpn h LYS 10 N 1.66 0.00 0.00 3.44 1.63 -1.95 -3.35 116.57 118.00 1tpn h LYS 10 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1tpn h LYS 10 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1tpn h LYS 10 CO 0.00 0.00 -0.52 0.25 -3.45 0.00 0.00 179.45 175.73 1tpn n THR 11 N -2.25 0.00 -1.90 1.00 -2.24 -1.24 -4.97 114.28 102.69 1tpn n THR 11 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1tpn n THR 11 Cb 0.44 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1tpn n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tpn n GLN 12 N -1.14 0.00 -4.15 -0.78 10.64 -0.04 -5.07 117.38 116.84 1tpn n GLN 12 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 1tpn n GLN 12 Cb 0.19 -2.57 -0.14 0.00 -0.86 0.00 0.00 30.24 26.86 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1tpn s MET 13 N -3.87 0.43 0.26 2.61 1.75 -0.98 -4.98 119.30 114.52 1tpn s MET 13 Ca 0.00 -0.24 -0.01 0.00 -1.25 0.00 0.00 55.69 54.19 1tpn s MET 13 Cb 0.00 -0.39 -0.04 0.00 2.84 0.00 0.00 34.83 37.24 1tpn s MET 13 CO 0.00 0.10 0.46 0.42 -0.65 0.00 0.00 175.02 175.35 1tpn s ILE 14 N -0.25 5.15 0.23 10.11 1.01 -1.26 -2.49 121.20 133.70 1tpn s ILE 14 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1tpn s ILE 14 Cb -0.03 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1tpn s ILE 14 CO -0.00 -0.31 0.04 -0.31 0.00 0.00 0.00 174.94 174.36 1tpn s TYR 15 N -2.03 1.45 0.00 3.97 2.02 -0.29 -4.92 117.35 117.56 1tpn s TYR 15 Ca 0.39 -1.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1tpn s TYR 15 Cb -0.10 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 1tpn s TYR 15 CO 0.31 -0.21 0.00 1.04 -1.57 0.00 0.00 175.55 175.12 1tpn n GLN 16 N -0.39 0.34 -2.72 -0.62 6.02 -1.26 -0.23 117.38 118.52 1tpn n GLN 16 Ca -0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.59 1tpn n GLN 16 Cb 0.65 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.85 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 -2.51 4.40 -1.55 -1.09 0.74 -0.75 -3.35 119.66 115.55 1tpn s GLN 17 Ca 0.00 1.34 0.00 0.00 0.05 0.00 0.00 55.36 56.75 1tpn s GLN 17 Cb 0.00 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.50 1tpn s GLN 17 CO 0.00 0.10 0.00 0.72 -0.55 0.00 0.00 175.29 175.56 1tpn n HIS 18 N 0.15 -0.67 -3.50 1.67 8.25 0.97 -4.92 115.22 117.17 1tpn n HIS 18 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 1tpn n HIS 18 Cb 0.51 -3.06 -0.08 0.00 1.12 0.00 0.00 29.99 28.48 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 -4.07 4.18 -0.06 -0.41 0.74 -1.21 -4.80 119.66 114.02 1tpn s GLN 19 Ca 0.00 0.06 -0.14 0.00 0.05 0.00 0.00 55.36 55.33 1tpn s GLN 19 Cb 0.00 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1tpn s GLN 19 CO 0.00 0.07 0.37 -1.54 -0.55 0.00 0.00 175.29 173.64 1tpn s SER 20 N 0.87 6.68 -0.13 6.67 1.04 -1.26 -2.28 113.70 125.28 1tpn s SER 20 Ca 0.16 0.80 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 1tpn s SER 20 Cb -0.14 -2.22 0.06 0.00 0.10 0.00 0.00 66.02 63.81 1tpn s SER 20 CO 0.06 0.25 0.31 -1.66 0.98 0.00 0.00 173.24 173.17 1tpn s TRP 21 N -0.55 -0.46 0.72 5.02 -2.14 0.64 -4.98 118.94 117.19 1tpn s TRP 21 Ca 0.22 1.01 -0.11 0.00 2.66 0.00 0.00 56.10 59.88 1tpn s TRP 21 Cb -0.15 0.12 0.02 0.00 -3.10 0.00 0.00 33.47 30.35 1tpn s TRP 21 CO 0.10 -0.30 1.10 -0.51 -2.66 0.00 0.00 176.95 174.67 1tpn s LEU 22 N 1.58 2.87 0.07 -4.66 2.01 -1.26 -2.72 118.68 116.57 1tpn s LEU 22 Ca -0.07 1.17 -0.07 0.00 0.01 0.00 0.00 54.13 55.17 1tpn s LEU 22 Cb -0.10 -3.94 -0.01 0.00 0.01 0.00 0.00 46.19 42.14 1tpn s LEU 22 CO -0.10 -1.42 0.13 -0.13 1.01 0.00 0.00 176.35 175.84 1tpn s ARG 23 N -5.33 0.76 1.14 1.70 0.52 -0.06 -4.94 118.95 112.75 1tpn s ARG 23 Ca 0.58 -1.00 -0.18 0.00 -0.52 0.00 0.00 55.73 54.61 1tpn s ARG 23 Cb -0.11 0.30 0.16 0.00 0.52 0.00 0.00 34.95 35.82 1tpn s ARG 23 CO 0.52 -0.22 0.22 -2.30 0.02 0.00 0.00 175.30 173.54 1tpn n PRO 24 N 0.06 -2.16 -2.24 3.54 -0.01 -1.26 -1.99 135.00 130.94 1tpn n PRO 24 Ca -0.15 -0.62 -0.27 0.00 -0.01 0.00 0.00 63.50 62.45 1tpn n PRO 24 Cb 0.62 -1.69 0.14 0.00 -0.01 0.00 0.00 33.50 32.55 1tpn n PRO 24 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 1tpn s VAL 25 N -2.19 2.09 -0.04 -1.45 -7.23 -1.25 -3.54 120.40 106.80 1tpn s VAL 25 Ca 0.53 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 60.39 1tpn s VAL 25 Cb -0.11 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1tpn s VAL 25 CO 0.57 0.00 -0.06 0.18 -0.31 0.00 0.00 175.10 175.48 1tpn n LEU 26 N -3.26 0.53 0.00 1.32 4.77 -1.26 -4.94 117.00 114.16 1tpn n LEU 26 Ca 0.14 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1tpn n LEU 26 Cb 0.60 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1tpn n LEU 26 CO 0.45 -0.48 0.00 0.54 -1.33 0.00 0.00 177.39 176.58 1tpn n ARG 27 N -2.97 2.25 0.00 3.23 1.74 -1.26 -5.07 116.66 114.59 1tpn n ARG 27 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1tpn n ARG 27 Cb 0.10 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.85 0.55 7.64 -1.26 -5.03 113.62 114.67 1tpn n SER 28 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1tpn n SER 28 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1tpn n SER 28 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1tpn n ASN 29 N 0.00 -0.04 -4.82 6.43 4.13 -1.26 -5.04 115.26 114.66 1tpn n ASN 29 Ca 0.00 -1.72 -0.25 0.00 1.68 0.00 0.00 54.58 54.29 1tpn n ASN 29 Cb 0.00 -0.04 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 1tpn n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1tpn s ARG 30 N 0.00 2.96 -0.01 3.52 1.70 -1.26 -4.47 118.95 121.39 1tpn s ARG 30 Ca 0.07 -0.88 -0.02 0.00 -0.47 0.00 0.00 55.73 54.43 1tpn s ARG 30 Cb 0.09 -2.66 -0.04 0.00 -0.57 0.00 0.00 34.95 31.77 1tpn s ARG 30 CO -0.04 0.47 0.17 0.14 -1.08 0.00 0.00 175.30 174.96 1tpn s VAL 31 N -1.83 5.34 -0.32 4.99 -7.23 -1.24 -3.74 120.40 116.37 1tpn s VAL 31 Ca 0.32 -0.19 -0.18 0.00 -1.81 0.00 0.00 61.98 60.12 1tpn s VAL 31 Cb -0.10 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 33.35 1tpn s VAL 31 CO 0.24 0.33 0.51 -0.70 -0.31 0.00 0.00 175.10 175.18 1tpn s GLU 32 N -1.89 3.76 -0.12 4.82 2.12 -0.84 -3.42 118.70 123.13 1tpn s GLU 32 Ca 0.26 -0.02 -0.15 0.00 0.36 0.00 0.00 54.97 55.43 1tpn s GLU 32 Cb -0.13 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 1tpn s GLU 32 CO 0.18 -0.56 0.35 -0.47 -0.54 0.00 0.00 175.26 174.22 1tpn s TYR 33 N 2.37 3.53 -0.12 5.30 6.14 -1.00 -0.88 117.35 132.70 1tpn s TYR 33 Ca 0.19 0.73 -0.14 0.00 0.64 0.00 0.00 57.07 58.50 1tpn s TYR 33 Cb -0.15 -2.36 0.03 0.00 0.42 0.00 0.00 41.96 39.90 1tpn s TYR 33 CO 0.12 0.32 0.37 0.00 0.64 0.00 0.00 175.55 177.00 1tpn s TRP 35 N -0.12 0.20 -0.34 0.00 -2.14 0.84 -0.26 118.94 117.12 1tpn s TRP 35 Ca -0.03 -0.42 -0.29 0.00 2.66 0.00 0.00 56.10 58.02 1tpn s TRP 35 Cb -0.03 -0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.19 1tpn s TRP 35 CO 0.01 -0.20 1.39 0.00 -2.66 0.00 0.00 176.95 175.50 1tpn h ASN 37 N 10.15 0.00 0.00 0.00 -0.73 -1.91 0.27 115.58 123.36 1tpn h ASN 37 Ca -0.28 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.88 1tpn h ASN 37 Cb 1.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.70 1tpn h ASN 37 CO 1.05 0.01 0.00 -1.20 -0.37 0.00 0.00 177.43 176.92 1tpn n SER 38 N -2.81 0.00 0.00 1.15 7.64 -1.26 -4.80 113.62 113.54 1tpn n SER 38 Ca 0.03 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tpn n SER 38 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.68 0.00 0.23 0.00 -1.26 -4.69 105.19 100.15 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 0.44 -2.49 1.61 1.85 -1.26 -4.92 116.66 111.89 1tpn n ARG 40 Ca 0.00 -0.14 -0.03 0.00 -1.00 0.00 0.00 57.85 56.69 1tpn n ARG 40 Cb 0.00 -0.55 -0.02 0.00 -1.05 0.00 0.00 32.46 30.83 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 -0.10 -3.53 -2.62 2.89 0.00 -1.26 -4.92 120.51 110.96 1tpn n ALA 41 Ca 0.00 1.28 -0.41 0.00 0.00 0.00 0.00 53.44 54.32 1tpn n ALA 41 Cb 0.11 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 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 -1.06 4.04 0.15 0.00 -0.44 0.23 -4.86 119.66 117.73 1tpn s GLN 42 Ca -0.13 0.52 0.09 0.00 -2.50 0.00 0.00 55.36 53.34 1tpn s GLN 42 Cb 0.01 -3.68 -0.04 0.00 -1.64 0.00 0.00 33.01 27.66 1tpn s GLN 42 CO 0.68 -0.49 -0.16 0.00 0.50 0.00 0.00 175.29 175.82 1tpn s HIS 44 N -1.43 -0.43 -0.38 0.00 -3.43 0.20 -4.99 115.29 104.83 1tpn s HIS 44 Ca 0.21 0.98 -0.25 0.00 -0.80 0.00 0.00 55.06 55.20 1tpn s HIS 44 Cb -0.10 0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.22 1tpn s HIS 44 CO 0.12 -0.24 0.88 -1.54 -2.00 0.00 0.00 174.74 171.96 1tpn s SER 45 N 0.82 6.62 -0.22 7.38 1.04 -1.26 -2.37 113.70 125.70 1tpn s SER 45 Ca -0.05 0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.84 1tpn s SER 45 Cb -0.06 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.67 1tpn s SER 45 CO -0.06 -0.85 -0.09 0.54 0.98 0.00 0.00 173.24 173.77 1tpn s VAL 46 N 3.40 1.72 1.16 5.02 0.11 -1.22 -5.01 120.40 125.58 1tpn s VAL 46 Ca 0.36 -1.20 -0.13 0.00 -2.93 0.00 0.00 61.98 58.08 1tpn s VAL 46 Cb -0.12 -1.86 0.28 0.00 -1.53 0.00 0.00 36.38 33.15 1tpn s VAL 46 CO 0.19 0.05 1.03 -2.16 -3.33 0.00 0.00 175.10 170.88 1tpn s PRO 47 N 1.33 -0.92 0.22 1.54 0.04 -1.26 -3.69 135.00 132.26 1tpn s PRO 47 Ca -0.04 0.82 0.02 0.00 0.04 0.00 0.00 61.00 61.84 1tpn s PRO 47 Cb -0.18 -1.55 0.19 0.00 0.04 0.00 0.00 34.50 33.00 1tpn s PRO 47 CO -0.07 -3.72 1.53 -0.24 0.04 0.00 0.00 177.00 174.54 1tpn h VAL 48 N -2.62 1.38 -6.43 -0.36 3.04 -1.93 -3.45 116.25 105.88 1tpn h VAL 48 Ca -0.62 -1.99 -0.22 0.00 -1.01 0.00 0.00 66.70 62.87 1tpn h VAL 48 Cb 1.33 1.99 0.01 0.00 -2.01 0.00 0.00 31.29 32.61 1tpn h VAL 48 CO 0.51 0.59 -1.11 1.17 -1.01 0.00 0.00 177.57 177.72 1tpn n LYS 49 N -3.88 -1.29 0.00 4.17 4.81 -1.26 -5.13 118.16 115.58 1tpn n LYS 49 Ca -0.03 1.20 0.00 0.00 -0.87 0.00 0.00 58.31 58.61 1tpn n LYS 49 Cb 0.63 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1tpn n LYS 49 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00