#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 3.47 -0.43 1.43 1.51 -1.26 -5.03 117.35 117.04 1tpn s TYR 2 Ca 0.00 0.97 0.08 0.00 -1.01 0.00 0.00 57.07 57.11 1tpn s TYR 2 Cb 0.00 -2.38 0.31 0.00 -0.11 0.00 0.00 41.96 39.79 1tpn s TYR 2 CO 0.00 -0.04 0.91 0.00 -1.11 0.00 0.00 175.55 175.31 1tpn n GLN 3 N -1.19 0.95 0.00 -0.62 10.64 -1.26 -4.88 117.38 121.01 1tpn n GLN 3 Ca 0.02 -2.49 0.00 0.00 -1.83 0.00 0.00 57.00 52.70 1tpn n GLN 3 Cb 0.54 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.60 1tpn n GLN 3 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1tpn n VAL 4 N 0.59 0.00 -4.02 -0.39 0.24 -1.03 -4.45 118.33 109.27 1tpn n VAL 4 Ca 0.14 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.17 1tpn n VAL 4 Cb 0.66 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.49 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 1.73 -0.19 1.34 -4.36 -1.26 -0.56 121.20 117.90 1tpn s ILE 5 Ca 0.00 -1.58 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1tpn s ILE 5 Cb 0.00 -2.31 0.08 0.00 1.25 0.00 0.00 42.46 41.49 1tpn s ILE 5 CO 0.00 0.00 0.18 0.00 0.24 0.00 0.00 174.94 175.36 1tpn s ARG 7 N 2.27 3.46 -0.26 0.00 3.52 -1.26 -1.04 118.95 125.64 1tpn s ARG 7 Ca 0.06 -0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.47 1tpn s ARG 7 Cb -0.16 -3.92 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1tpn s ARG 7 CO -0.11 -1.05 0.24 0.34 -0.81 0.00 0.00 175.30 173.91 1tpn s ASP 8 N 2.07 6.14 0.00 -2.12 2.15 -1.03 -4.94 116.67 118.93 1tpn s ASP 8 Ca 0.29 0.14 0.29 0.00 0.43 0.00 0.00 52.55 53.70 1tpn s ASP 8 Cb -0.13 -2.15 1.42 0.00 -0.30 0.00 0.00 42.92 41.77 1tpn s ASP 8 CO 0.21 -0.05 1.95 -1.84 -0.17 0.00 0.00 175.17 175.27 1tpn n GLU 9 N 4.87 1.34 0.01 4.34 0.28 -1.26 0.00 120.64 130.23 1tpn n GLU 9 Ca -0.12 -0.50 0.13 0.00 -0.16 0.00 0.00 57.16 56.51 1tpn n GLU 9 Cb 0.52 -1.48 0.46 0.00 1.43 0.00 0.00 31.44 32.37 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 -0.38 0.03 0.00 3.44 3.00 -1.26 -4.14 118.16 118.85 1tpn n LYS 10 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1tpn n LYS 10 Cb 0.23 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.73 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 -1.59 0.00 -3.06 3.15 5.66 -1.22 -4.99 114.28 112.24 1tpn n THR 11 Ca 0.06 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.94 1tpn n THR 11 Cb 0.35 0.39 0.04 0.00 -1.55 0.00 0.00 70.33 69.56 1tpn n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tpn n GLN 12 N 0.00 -4.16 -4.77 1.09 6.02 0.10 -5.02 117.38 110.64 1tpn n GLN 12 Ca 0.00 0.44 -0.27 0.00 -0.01 0.00 0.00 57.00 57.15 1tpn n GLN 12 Cb 0.00 -4.28 -0.17 0.00 1.02 0.00 0.00 30.24 26.82 1tpn n GLN 12 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1tpn s MET 13 N -5.63 2.18 -0.14 -1.09 1.75 -1.01 -4.96 119.30 110.40 1tpn s MET 13 Ca 0.29 -0.58 -0.14 0.00 -1.25 0.00 0.00 55.69 54.01 1tpn s MET 13 Cb -0.13 -1.74 -0.05 0.00 2.84 0.00 0.00 34.83 35.76 1tpn s MET 13 CO 0.38 0.07 0.32 0.42 -0.65 0.00 0.00 175.02 175.56 1tpn s ILE 14 N 0.60 5.28 0.34 10.11 1.01 -1.26 -2.46 121.20 134.81 1tpn s ILE 14 Ca -0.15 0.61 0.08 0.00 0.00 0.00 0.00 60.65 61.18 1tpn s ILE 14 Cb -0.16 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1tpn s ILE 14 CO 0.05 0.41 0.24 -0.31 0.00 0.00 0.00 174.94 175.32 1tpn s TYR 15 N 0.30 2.82 0.00 3.97 2.02 -0.21 -4.87 117.35 121.38 1tpn s TYR 15 Ca 0.18 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1tpn s TYR 15 Cb -0.13 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1tpn s TYR 15 CO 0.05 0.23 0.00 1.04 -1.57 0.00 0.00 175.55 175.31 1tpn n GLN 16 N -1.29 1.05 -2.68 -0.62 6.02 -1.26 -0.18 117.38 118.41 1tpn n GLN 16 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 1tpn n GLN 16 Cb 0.60 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.81 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 -0.97 4.77 -2.00 -1.09 0.74 0.28 -3.36 119.66 118.03 1tpn s GLN 17 Ca 0.00 1.55 0.00 0.00 0.05 0.00 0.00 55.36 56.96 1tpn s GLN 17 Cb 0.00 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1tpn s GLN 17 CO 0.00 0.38 0.00 0.72 -0.55 0.00 0.00 175.29 175.84 1tpn n HIS 18 N 1.76 -0.34 -3.61 1.67 8.25 0.21 -4.94 115.22 118.22 1tpn n HIS 18 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 1tpn n HIS 18 Cb 0.47 -3.51 -0.08 0.00 1.12 0.00 0.00 29.99 27.99 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 -4.08 4.17 -0.06 -0.41 2.00 -1.21 -4.83 119.66 115.24 1tpn s GLN 19 Ca 0.00 -0.09 -0.14 0.00 -2.00 0.00 0.00 55.36 53.14 1tpn s GLN 19 Cb 0.00 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.29 1tpn s GLN 19 CO 0.00 0.16 0.35 -1.54 -0.50 0.00 0.00 175.29 173.77 1tpn s SER 20 N 0.70 6.66 -0.12 6.67 1.04 -1.26 -2.40 113.70 124.99 1tpn s SER 20 Ca 0.12 0.78 -0.05 0.00 0.48 0.00 0.00 55.95 57.28 1tpn s SER 20 Cb -0.13 -2.21 0.06 0.00 0.10 0.00 0.00 66.02 63.83 1tpn s SER 20 CO 0.03 0.26 0.26 -1.66 0.98 0.00 0.00 173.24 173.11 1tpn s TRP 21 N -0.57 -0.40 0.74 5.02 -2.14 0.35 -4.98 118.94 116.96 1tpn s TRP 21 Ca 0.21 0.92 -0.12 0.00 2.66 0.00 0.00 56.10 59.77 1tpn s TRP 21 Cb -0.15 0.01 0.04 0.00 -3.10 0.00 0.00 33.47 30.27 1tpn s TRP 21 CO 0.10 -0.31 1.11 -0.51 -2.66 0.00 0.00 176.95 174.68 1tpn s LEU 22 N 1.92 2.77 0.04 -4.66 2.01 -1.26 -2.09 118.68 117.41 1tpn s LEU 22 Ca -0.03 1.10 -0.03 0.00 0.01 0.00 0.00 54.13 55.17 1tpn s LEU 22 Cb -0.11 -3.81 -0.02 0.00 0.01 0.00 0.00 46.19 42.26 1tpn s LEU 22 CO -0.09 -1.55 0.04 -0.13 1.01 0.00 0.00 176.35 175.63 1tpn s ARG 23 N -5.36 0.58 1.26 1.70 0.52 0.80 -4.89 118.95 113.56 1tpn s ARG 23 Ca 0.59 -0.91 -0.18 0.00 -0.52 0.00 0.00 55.73 54.71 1tpn s ARG 23 Cb -0.12 0.22 0.29 0.00 0.52 0.00 0.00 34.95 35.86 1tpn s ARG 23 CO 0.52 -0.13 0.72 -2.30 0.02 0.00 0.00 175.30 174.13 1tpn n PRO 24 N 0.58 -3.18 -2.42 3.54 -0.01 -1.26 -1.97 135.00 130.27 1tpn n PRO 24 Ca -0.18 -0.92 -0.29 0.00 -0.01 0.00 0.00 63.50 62.10 1tpn n PRO 24 Cb 0.59 -1.93 -0.00 0.00 -0.01 0.00 0.00 33.50 32.15 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 -2.24 4.82 0.00 -1.45 -7.23 -1.24 -3.87 120.40 109.18 1tpn s VAL 25 Ca 0.63 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1tpn s VAL 25 Cb -0.17 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1tpn s VAL 25 CO 0.60 -0.90 0.34 0.00 -0.31 0.00 0.00 175.10 174.83 1tpn n LEU 26 N -2.27 1.01 0.00 1.32 -0.00 -1.26 -4.83 117.00 110.97 1tpn n LEU 26 Ca 0.03 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1tpn n LEU 26 Cb 0.55 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1tpn n LEU 26 CO 0.54 -0.13 -0.05 0.54 -0.00 0.00 0.00 177.39 178.28 1tpn n ARG 27 N -0.89 3.23 0.00 1.47 1.74 -1.26 -5.04 116.66 115.91 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 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.26 0.00 -0.20 0.55 7.64 -1.26 -5.04 113.62 115.06 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 -4.80 6.43 4.05 -1.26 -5.00 115.26 114.68 1tpn n ASN 29 Ca 0.00 -1.19 -0.38 0.00 0.45 0.00 0.00 54.58 53.47 1tpn n ASN 29 Cb 0.00 -0.04 -0.06 0.00 1.23 0.00 0.00 39.78 40.91 1tpn n ASN 29 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1tpn s ARG 30 N 0.00 4.37 0.11 1.20 1.81 -1.26 -4.54 118.95 120.63 1tpn s ARG 30 Ca 0.00 0.97 -0.13 0.00 -1.72 0.00 0.00 55.73 54.85 1tpn s ARG 30 Cb 0.00 -3.04 -0.06 0.00 -0.45 0.00 0.00 34.95 31.39 1tpn s ARG 30 CO 0.00 0.48 0.48 0.14 -0.68 0.00 0.00 175.30 175.72 1tpn s VAL 31 N -1.36 4.96 -0.22 3.52 -7.23 -1.26 -3.73 120.40 115.08 1tpn s VAL 31 Ca 0.39 0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 61.14 1tpn s VAL 31 Cb -0.19 -3.70 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 1tpn s VAL 31 CO 0.23 0.28 0.17 -1.61 -0.31 0.00 0.00 175.10 173.86 1tpn s GLU 32 N -1.88 4.12 -0.27 4.82 2.02 -0.83 -3.50 118.70 123.17 1tpn s GLU 32 Ca 0.35 -0.22 -0.09 0.00 0.02 0.00 0.00 54.97 55.03 1tpn s GLU 32 Cb -0.15 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 1tpn s GLU 32 CO 0.18 0.13 0.13 -0.47 0.02 0.00 0.00 175.26 175.25 1tpn s TYR 33 N 0.85 3.15 -0.08 1.61 6.14 -0.07 -0.14 117.35 128.81 1tpn s TYR 33 Ca 0.09 -0.24 0.00 0.00 0.64 0.00 0.00 57.07 57.56 1tpn s TYR 33 Cb -0.13 -2.31 0.02 0.00 0.42 0.00 0.00 41.96 39.97 1tpn s TYR 33 CO 0.03 -0.30 -0.06 0.00 0.64 0.00 0.00 175.55 175.86 1tpn s TRP 35 N 1.44 0.98 -0.15 0.00 -2.14 0.23 -0.50 118.94 118.80 1tpn s TRP 35 Ca -0.02 -0.19 -0.29 0.00 2.66 0.00 0.00 56.10 58.26 1tpn s TRP 35 Cb -0.13 -0.63 -0.01 0.00 -3.10 0.00 0.00 33.47 29.60 1tpn s TRP 35 CO -0.04 -0.02 1.15 0.00 -2.66 0.00 0.00 176.95 175.38 1tpn n ASN 37 N 5.93 0.75 0.00 0.00 5.15 -1.26 0.66 115.26 126.50 1tpn n ASN 37 Ca 0.12 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1tpn n ASN 37 Cb 0.46 0.63 0.00 0.00 -0.53 0.00 0.00 39.78 40.34 1tpn n ASN 37 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1tpn n SER 38 N -2.63 0.00 0.00 1.20 7.64 -1.26 -4.72 113.62 113.85 1tpn n SER 38 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1tpn n SER 38 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.19 -0.10 0.88 0.23 0.00 -1.26 -2.46 105.19 102.27 1tpn n GLY 39 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 2.89 -2.90 1.61 1.85 -1.26 -4.80 116.66 114.04 1tpn n ARG 40 Ca 0.00 -2.29 -0.02 0.00 -1.00 0.00 0.00 57.85 54.54 1tpn n ARG 40 Cb 0.00 -1.41 -0.02 0.00 -1.05 0.00 0.00 32.46 29.99 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 0.76 -2.39 -2.26 2.89 0.00 -1.26 -4.93 120.51 113.33 1tpn n ALA 41 Ca 0.16 0.84 -0.34 0.00 0.00 0.00 0.00 53.44 54.10 1tpn n ALA 41 Cb 0.52 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.63 4.02 0.17 0.00 -0.44 0.26 -4.85 119.66 118.20 1tpn s GLN 42 Ca -0.09 0.58 -0.13 0.00 -2.50 0.00 0.00 55.36 53.21 1tpn s GLN 42 Cb 0.01 -2.77 0.01 0.00 -1.64 0.00 0.00 33.01 28.62 1tpn s GLN 42 CO 0.36 0.36 0.40 0.00 0.50 0.00 0.00 175.29 176.92 1tpn s HIS 44 N -3.91 0.35 -0.10 0.00 -3.43 0.27 -5.00 115.29 103.48 1tpn s HIS 44 Ca 0.12 -0.76 -0.01 0.00 -0.80 0.00 0.00 55.06 53.61 1tpn s HIS 44 Cb 0.01 0.34 0.03 0.00 -1.43 0.00 0.00 32.58 31.53 1tpn s HIS 44 CO -0.02 -1.16 -0.03 -1.12 -2.00 0.00 0.00 174.74 170.41 1tpn s SER 45 N -3.05 1.93 -0.26 7.38 0.01 -1.26 -0.89 113.70 117.56 1tpn s SER 45 Ca 0.21 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 1tpn s SER 45 Cb -0.02 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.63 1tpn s SER 45 CO 0.11 -0.17 -0.06 -0.69 0.41 0.00 0.00 173.24 172.83 1tpn s VAL 46 N 1.86 2.77 1.25 3.43 1.01 -1.23 -5.01 120.40 124.49 1tpn s VAL 46 Ca 0.04 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1tpn s VAL 46 Cb -0.13 -2.46 0.29 0.00 0.00 0.00 0.00 36.38 34.08 1tpn s VAL 46 CO -0.07 0.13 0.78 -2.65 0.00 0.00 0.00 175.10 173.30 1tpn n PRO 47 N 4.63 -3.08 0.00 2.72 -0.02 -1.26 -4.00 135.00 133.99 1tpn n PRO 47 Ca -0.16 -0.89 0.11 0.00 -2.02 0.00 0.00 63.50 60.54 1tpn n PRO 47 Cb 0.46 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 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 -5.15 0.03 -2.93 -1.45 3.14 -1.26 -4.87 118.33 105.84 1tpn n VAL 48 Ca 0.05 -0.11 -0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1tpn n VAL 48 Cb 0.56 0.65 0.00 0.00 -1.06 0.00 0.00 33.84 33.99 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 -1.68 -2.05 0.00 1.45 4.81 -1.26 -5.18 118.16 114.25 1tpn n LYS 49 Ca 0.03 1.89 0.06 0.00 -0.87 0.00 0.00 58.31 59.41 1tpn n LYS 49 Cb 0.38 -3.41 0.37 0.00 0.02 0.00 0.00 35.03 32.39 1tpn n LYS 49 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02