#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 2.93 -0.59 0.66 -0.85 -1.26 -5.00 117.35 113.25 1tpn s TYR 2 Ca 0.00 0.96 -0.18 0.00 -0.52 0.00 0.00 57.07 57.32 1tpn s TYR 2 Cb 0.00 -3.26 0.11 0.00 0.38 0.00 0.00 41.96 39.19 1tpn s TYR 2 CO 0.00 -1.74 0.67 -0.65 -1.52 0.00 0.00 175.55 172.32 1tpn s GLN 3 N -5.35 3.05 0.00 -3.49 -0.21 -1.26 -4.67 119.66 107.74 1tpn s GLN 3 Ca 0.61 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.58 1tpn s GLN 3 Cb -0.13 -4.28 0.00 0.00 1.00 0.00 0.00 33.01 29.60 1tpn s GLN 3 CO 0.52 -1.51 0.19 1.33 -2.12 0.00 0.00 175.29 173.70 1tpn n VAL 4 N 5.47 0.00 -3.89 1.09 0.24 -1.26 -5.05 118.33 114.93 1tpn n VAL 4 Ca -0.10 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.98 1tpn n VAL 4 Cb 0.42 0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 33.06 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 3.04 -0.16 1.34 -4.36 -1.26 -1.38 121.20 118.42 1tpn s ILE 5 Ca 0.00 -1.51 -0.02 0.00 -0.26 0.00 0.00 60.65 58.85 1tpn s ILE 5 Cb 0.00 -3.05 0.05 0.00 1.25 0.00 0.00 42.46 40.71 1tpn s ILE 5 CO 0.00 -0.12 0.02 0.00 0.24 0.00 0.00 174.94 175.08 1tpn s ARG 7 N 1.90 3.81 -0.35 0.00 3.52 -1.26 -1.07 118.95 125.49 1tpn s ARG 7 Ca 0.01 0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 55.72 1tpn s ARG 7 Cb -0.16 -3.76 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 1tpn s ARG 7 CO -0.07 -0.65 0.19 0.34 -0.81 0.00 0.00 175.30 174.30 1tpn s ASP 8 N 1.70 5.68 0.00 -2.12 -1.08 -0.99 -4.94 116.67 114.93 1tpn s ASP 8 Ca 0.25 -0.82 0.31 0.00 -0.52 0.00 0.00 52.55 51.77 1tpn s ASP 8 Cb -0.15 -2.02 1.72 0.00 -1.46 0.00 0.00 42.92 41.01 1tpn s ASP 8 CO 0.13 -0.32 2.13 -1.84 0.52 0.00 0.00 175.17 175.79 1tpn n GLU 9 N 5.00 0.96 0.06 4.34 0.28 -1.26 0.24 120.64 130.25 1tpn n GLU 9 Ca -0.12 -0.11 0.13 0.00 -0.16 0.00 0.00 57.16 56.89 1tpn n GLU 9 Cb 0.47 -1.50 0.35 0.00 1.43 0.00 0.00 31.44 32.19 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 -0.92 0.19 0.00 3.44 3.00 -1.26 -4.13 118.16 118.48 1tpn n LYS 10 Ca 0.21 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1tpn n LYS 10 Cb 0.17 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1tpn n LYS 10 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1tpn n THR 11 N -1.97 0.00 -2.60 3.15 5.66 -1.18 -5.04 114.28 112.30 1tpn n THR 11 Ca 0.05 -0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.00 1tpn n THR 11 Cb 0.40 0.07 0.02 0.00 -1.55 0.00 0.00 70.33 69.27 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 -0.20 -1.85 -4.21 1.09 0.00 0.14 -5.05 117.38 107.30 1tpn n GLN 12 Ca 0.00 0.21 -0.17 0.00 -0.00 0.00 0.00 57.00 57.04 1tpn n GLN 12 Cb 0.00 -3.34 -0.15 0.00 0.00 0.00 0.00 30.24 26.75 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1tpn s MET 13 N -4.91 0.52 0.33 3.69 1.75 -1.01 -4.98 119.30 114.71 1tpn s MET 13 Ca 0.08 -0.21 -0.07 0.00 -1.25 0.00 0.00 55.69 54.24 1tpn s MET 13 Cb -0.04 -0.51 -0.06 0.00 2.84 0.00 0.00 34.83 37.06 1tpn s MET 13 CO 0.18 0.11 0.64 0.42 -0.65 0.00 0.00 175.02 175.73 1tpn s ILE 14 N -0.05 4.92 0.03 10.11 -1.09 -1.26 -2.36 121.20 131.51 1tpn s ILE 14 Ca 0.01 0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.73 1tpn s ILE 14 Cb -0.04 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1tpn s ILE 14 CO -0.00 -0.39 -0.02 -0.31 -1.23 0.00 0.00 174.94 172.99 1tpn s TYR 15 N -2.19 0.35 0.53 3.97 2.02 -0.24 -4.90 117.35 116.91 1tpn s TYR 15 Ca 0.47 -0.73 -0.07 0.00 -0.37 0.00 0.00 57.07 56.37 1tpn s TYR 15 Cb -0.11 -0.26 0.12 0.00 -0.40 0.00 0.00 41.96 41.31 1tpn s TYR 15 CO 0.30 -0.27 0.73 1.04 -1.57 0.00 0.00 175.55 175.77 1tpn n GLN 16 N 0.98 -0.50 -2.34 -0.62 3.00 -1.26 0.97 117.38 117.60 1tpn n GLN 16 Ca -0.20 -1.31 -0.34 0.00 -0.01 0.00 0.00 57.00 55.14 1tpn n GLN 16 Cb 0.58 -0.69 -0.01 0.00 0.00 0.00 0.00 30.24 30.12 1tpn n GLN 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1tpn s GLN 17 N -4.50 3.50 -1.00 -1.09 0.74 -0.48 -2.84 119.66 113.98 1tpn s GLN 17 Ca 0.43 1.49 0.00 0.00 0.05 0.00 0.00 55.36 57.33 1tpn s GLN 17 Cb -0.01 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 32.06 1tpn s GLN 17 CO 0.30 -0.70 0.00 0.72 -0.55 0.00 0.00 175.29 175.05 1tpn n HIS 18 N -1.25 -0.51 -3.36 1.67 8.25 0.04 -4.88 115.22 115.18 1tpn n HIS 18 Ca 0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.18 1tpn n HIS 18 Cb 0.52 -2.13 -0.06 0.00 1.12 0.00 0.00 29.99 29.43 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 -2.76 4.08 -0.09 -0.41 2.00 -1.13 -4.77 119.66 116.58 1tpn s GLN 19 Ca 0.00 0.60 -0.03 0.00 -2.00 0.00 0.00 55.36 53.93 1tpn s GLN 19 Cb 0.00 -3.20 -0.03 0.00 0.80 0.00 0.00 33.01 30.57 1tpn s GLN 19 CO 0.00 0.64 0.04 -1.54 -0.50 0.00 0.00 175.29 173.93 1tpn s SER 20 N -1.16 5.52 -0.18 6.67 1.04 -1.26 -1.24 113.70 123.09 1tpn s SER 20 Ca 0.28 0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.86 1tpn s SER 20 Cb -0.18 -1.62 0.07 0.00 0.10 0.00 0.00 66.02 64.40 1tpn s SER 20 CO 0.17 0.38 0.39 -1.66 0.98 0.00 0.00 173.24 173.50 1tpn s TRP 21 N -0.93 -0.66 0.79 5.02 -2.14 0.65 -4.98 118.94 116.68 1tpn s TRP 21 Ca 0.14 1.34 -0.12 0.00 2.66 0.00 0.00 56.10 60.12 1tpn s TRP 21 Cb -0.11 0.23 0.07 0.00 -3.10 0.00 0.00 33.47 30.55 1tpn s TRP 21 CO 0.03 -0.41 1.13 -0.51 -2.66 0.00 0.00 176.95 174.54 1tpn s LEU 22 N 2.13 2.57 0.07 -4.66 2.01 -1.26 -2.87 118.68 116.67 1tpn s LEU 22 Ca -0.04 1.01 -0.06 0.00 0.01 0.00 0.00 54.13 55.05 1tpn s LEU 22 Cb -0.11 -3.59 -0.01 0.00 0.01 0.00 0.00 46.19 42.49 1tpn s LEU 22 CO -0.12 -1.83 0.11 -0.13 1.01 0.00 0.00 176.35 175.39 1tpn s ARG 23 N -5.39 0.73 1.04 1.70 0.52 0.95 -4.93 118.95 113.57 1tpn s ARG 23 Ca 0.61 -0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 54.64 1tpn s ARG 23 Cb -0.12 0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.65 1tpn s ARG 23 CO 0.51 -0.20 -0.43 -2.30 0.02 0.00 0.00 175.30 172.91 1tpn n PRO 24 N 0.17 -1.19 -2.28 3.54 -0.02 -1.26 -1.93 135.00 132.03 1tpn n PRO 24 Ca -0.16 -0.34 -0.27 0.00 -2.02 0.00 0.00 63.50 60.72 1tpn n PRO 24 Cb 0.61 -1.42 0.17 0.00 -0.02 0.00 0.00 33.50 32.84 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 -2.13 2.00 -0.01 -1.45 -7.23 -1.26 -3.34 120.40 106.98 1tpn s VAL 25 Ca 0.44 -0.31 -0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1tpn s VAL 25 Cb -0.03 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.21 1tpn s VAL 25 CO 0.58 0.00 -0.01 -0.07 -0.31 0.00 0.00 175.10 175.29 1tpn h LEU 26 N -1.20 0.00 0.00 1.32 3.38 -1.94 -3.48 115.31 113.39 1tpn h LEU 26 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1tpn h LEU 26 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1tpn h LEU 26 CO 0.34 0.06 0.00 0.54 0.09 0.00 0.00 178.44 179.47 1tpn n ARG 27 N -2.37 2.50 0.00 1.13 1.74 -1.26 -5.07 116.66 113.33 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 0.01 -0.21 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 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 -0.26 0.55 7.64 -1.26 -5.02 113.62 115.27 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 0.59 -3.01 0.00 0.00 175.04 172.62 1tpn n ASN 29 N 0.00 0.00 -3.09 6.43 3.02 -1.26 -5.03 115.26 115.33 1tpn n ASN 29 Ca 0.00 -1.48 -0.17 0.00 -0.03 0.00 0.00 54.58 52.90 1tpn n ASN 29 Cb 0.00 -0.10 0.13 0.00 -0.61 0.00 0.00 39.78 39.21 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1tpn n ARG 30 N 0.00 -1.80 -3.85 3.52 1.74 -1.26 -4.65 116.66 110.36 1tpn n ARG 30 Ca 0.00 -1.04 -0.13 0.00 -0.77 0.00 0.00 57.85 55.92 1tpn n ARG 30 Cb 0.60 -0.88 -0.14 0.00 -1.02 0.00 0.00 32.46 31.01 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 -2.27 -0.01 -0.34 1.55 -7.23 -1.26 -4.15 120.40 106.69 1tpn s VAL 31 Ca 0.41 0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 60.40 1tpn s VAL 31 Cb -0.03 -0.05 0.00 0.00 0.56 0.00 0.00 36.38 36.86 1tpn s VAL 31 CO 0.31 0.02 0.69 -1.61 -0.31 0.00 0.00 175.10 174.19 1tpn s GLU 32 N 0.21 3.77 -0.21 4.82 2.02 -0.81 -3.70 118.70 124.80 1tpn s GLU 32 Ca -0.02 0.23 -0.08 0.00 0.02 0.00 0.00 54.97 55.12 1tpn s GLU 32 Cb -0.02 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 1tpn s GLU 32 CO -0.01 -0.73 0.10 -0.47 0.02 0.00 0.00 175.26 174.17 1tpn s TYR 33 N 2.82 3.24 -0.11 1.61 6.14 -0.97 -0.03 117.35 130.05 1tpn s TYR 33 Ca 0.27 0.03 -0.12 0.00 0.64 0.00 0.00 57.07 57.90 1tpn s TYR 33 Cb -0.14 -2.17 0.03 0.00 0.42 0.00 0.00 41.96 40.10 1tpn s TYR 33 CO 0.15 0.03 0.32 0.00 0.64 0.00 0.00 175.55 176.68 1tpn s TRP 35 N -0.05 0.24 -0.32 0.00 -2.14 0.11 -0.25 118.94 116.53 1tpn s TRP 35 Ca -0.02 -0.51 -0.29 0.00 2.66 0.00 0.00 56.10 57.94 1tpn s TRP 35 Cb -0.03 -0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.16 1tpn s TRP 35 CO 0.01 -0.26 1.53 0.00 -2.66 0.00 0.00 176.95 175.57 1tpn n ASN 37 N 8.79 0.67 0.00 0.00 4.05 -1.26 -0.78 115.26 126.73 1tpn n ASN 37 Ca 0.18 0.07 0.00 0.00 0.45 0.00 0.00 54.58 55.29 1tpn n ASN 37 Cb 0.47 0.20 0.00 0.00 1.23 0.00 0.00 39.78 41.67 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1tpn n SER 38 N -2.04 0.00 0.00 1.20 3.41 -1.26 -4.85 113.62 110.08 1tpn n SER 38 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1tpn n SER 38 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1tpn n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tpn n GLY 39 N -0.05 -0.53 0.08 5.00 0.00 -1.26 -4.90 105.19 103.53 1tpn n GLY 39 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 2.41 -2.66 1.61 1.85 -1.26 -4.88 116.66 113.73 1tpn n ARG 40 Ca 0.00 -1.42 -0.05 0.00 -1.00 0.00 0.00 57.85 55.38 1tpn n ARG 40 Cb 0.00 -1.03 -0.04 0.00 -1.05 0.00 0.00 32.46 30.34 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 -0.31 -3.46 -2.60 2.89 0.00 -1.26 -4.90 120.51 110.87 1tpn n ALA 41 Ca 0.01 2.01 -0.41 0.00 0.00 0.00 0.00 53.44 55.05 1tpn n ALA 41 Cb 0.24 -3.97 -0.06 0.00 0.00 0.00 0.00 19.45 15.65 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 -0.75 3.91 0.13 0.00 -0.44 0.30 -4.87 119.66 117.95 1tpn s GLN 42 Ca -0.23 0.35 0.08 0.00 -2.50 0.00 0.00 55.36 53.06 1tpn s GLN 42 Cb 0.02 -3.73 -0.04 0.00 -1.64 0.00 0.00 33.01 27.62 1tpn s GLN 42 CO 0.73 -0.59 -0.11 0.00 0.50 0.00 0.00 175.29 175.82 1tpn s HIS 44 N -1.34 -0.55 -0.37 0.00 -3.43 0.56 -4.99 115.29 105.17 1tpn s HIS 44 Ca 0.22 1.28 -0.16 0.00 -0.80 0.00 0.00 55.06 55.60 1tpn s HIS 44 Cb -0.10 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 1tpn s HIS 44 CO 0.14 -0.28 0.40 -1.12 -2.00 0.00 0.00 174.74 171.87 1tpn s SER 45 N 0.61 6.19 -0.23 7.38 0.01 -1.26 -2.29 113.70 124.10 1tpn s SER 45 Ca -0.03 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1tpn s SER 45 Cb -0.05 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 64.03 1tpn s SER 45 CO -0.04 -0.44 -0.08 -0.69 0.41 0.00 0.00 173.24 172.40 1tpn s VAL 46 N 2.07 1.70 1.25 3.43 1.01 -1.24 -5.02 120.40 123.60 1tpn s VAL 46 Ca 0.12 -1.27 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 1tpn s VAL 46 Cb -0.17 -1.89 0.31 0.00 0.00 0.00 0.00 36.38 34.64 1tpn s VAL 46 CO 0.12 -0.02 1.00 -2.16 0.00 0.00 0.00 175.10 174.04 1tpn s PRO 47 N 1.33 -1.62 0.00 2.72 0.04 -1.26 -4.22 135.00 131.99 1tpn s PRO 47 Ca -0.06 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1tpn s PRO 47 Cb -0.19 -1.49 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1tpn s PRO 47 CO -0.06 -4.12 0.00 1.55 0.04 0.00 0.00 177.00 174.41 1tpn n VAL 48 N -5.16 0.00 -3.95 -0.36 3.14 -1.26 -4.91 118.33 105.84 1tpn n VAL 48 Ca 0.06 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.05 1tpn n VAL 48 Cb 0.56 1.73 0.02 0.00 -1.06 0.00 0.00 33.84 35.09 1tpn n VAL 48 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1tpn n LYS 49 N 0.00 -0.68 0.00 1.45 0.00 -1.26 -5.15 118.16 112.52 1tpn n LYS 49 Ca 0.00 0.31 0.11 0.00 0.00 0.00 0.00 58.31 58.73 1tpn n LYS 49 Cb 0.19 -2.69 0.67 0.00 0.00 0.00 0.00 35.03 33.21 1tpn n LYS 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27