#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 2.56 -0.19 7.33 2.02 -1.26 -4.91 117.35 122.90 1tpn s TYR 2 Ca 0.00 1.56 -0.29 0.00 -0.37 0.00 0.00 57.07 57.97 1tpn s TYR 2 Cb 0.00 -3.08 -0.04 0.00 -0.40 0.00 0.00 41.96 38.44 1tpn s TYR 2 CO 0.00 -1.81 1.74 -0.65 -1.57 0.00 0.00 175.55 173.26 1tpn s GLN 3 N -4.72 3.75 0.00 -0.62 -0.21 -1.26 -4.84 119.66 111.77 1tpn s GLN 3 Ca 0.63 1.83 0.29 0.00 0.02 0.00 0.00 55.36 58.13 1tpn s GLN 3 Cb -0.18 -4.09 1.34 0.00 1.00 0.00 0.00 33.01 31.08 1tpn s GLN 3 CO 0.53 -1.36 1.97 1.33 -2.12 0.00 0.00 175.29 175.64 1tpn n VAL 4 N 6.47 0.00 -3.52 1.09 0.24 -1.26 -3.76 118.33 117.59 1tpn n VAL 4 Ca 0.20 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.28 1tpn n VAL 4 Cb 0.45 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 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 -2.82 2.20 -0.16 1.34 -4.36 -1.26 -0.42 121.20 115.72 1tpn s ILE 5 Ca 0.20 -1.30 -0.04 0.00 -0.26 0.00 0.00 60.65 59.25 1tpn s ILE 5 Cb 0.19 -2.50 0.07 0.00 1.25 0.00 0.00 42.46 41.47 1tpn s ILE 5 CO 0.51 0.00 0.15 0.00 0.24 0.00 0.00 174.94 175.83 1tpn s ARG 7 N 2.24 3.69 -0.19 0.00 3.52 -1.26 -1.12 118.95 125.83 1tpn s ARG 7 Ca 0.04 0.18 -0.08 0.00 -0.13 0.00 0.00 55.73 55.74 1tpn s ARG 7 Cb -0.15 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 1tpn s ARG 7 CO -0.09 -0.84 0.09 0.34 -0.81 0.00 0.00 175.30 173.98 1tpn s ASP 8 N 1.85 5.84 0.00 -2.12 -1.08 -1.06 -4.98 116.67 115.13 1tpn s ASP 8 Ca 0.29 0.14 0.27 0.00 -0.52 0.00 0.00 52.55 52.73 1tpn s ASP 8 Cb -0.13 -2.01 0.85 0.00 -1.46 0.00 0.00 42.92 40.16 1tpn s ASP 8 CO 0.17 0.18 1.63 -1.84 0.52 0.00 0.00 175.17 175.82 1tpn n GLU 9 N 3.51 1.56 0.03 4.34 0.28 -1.26 -0.83 120.64 128.26 1tpn n GLU 9 Ca -0.16 -0.98 0.13 0.00 -0.16 0.00 0.00 57.16 55.98 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 0.14 0.08 0.00 3.44 3.00 -1.26 -4.06 118.16 119.50 1tpn n LYS 10 Ca 0.17 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1tpn n LYS 10 Cb 0.39 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 33.84 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 -1.71 0.00 -3.13 3.15 5.66 -1.25 -4.96 114.28 112.05 1tpn n THR 11 Ca 0.06 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.92 1tpn n THR 11 Cb 0.37 0.57 0.06 0.00 -1.55 0.00 0.00 70.33 69.77 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 -5.09 -4.25 1.09 6.02 -0.01 -5.02 117.38 110.12 1tpn n GLN 12 Ca 0.00 0.58 -0.19 0.00 -0.01 0.00 0.00 57.00 57.38 1tpn n GLN 12 Cb 0.00 -4.85 -0.16 0.00 1.02 0.00 0.00 30.24 26.26 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 -5.44 0.80 0.04 -1.09 1.75 -0.99 -4.97 119.30 109.39 1tpn s MET 13 Ca 0.21 -0.19 -0.13 0.00 -1.25 0.00 0.00 55.69 54.33 1tpn s MET 13 Cb -0.09 -0.77 -0.06 0.00 2.84 0.00 0.00 34.83 36.74 1tpn s MET 13 CO 0.51 0.02 0.41 0.42 -0.65 0.00 0.00 175.02 175.73 1tpn s ILE 14 N 0.46 5.04 0.43 10.11 1.01 -1.26 -2.56 121.20 134.43 1tpn s ILE 14 Ca -0.06 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.35 1tpn s ILE 14 Cb -0.10 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1tpn s ILE 14 CO 0.00 0.46 0.02 -0.31 0.00 0.00 0.00 174.94 175.11 1tpn s TYR 15 N -1.21 2.41 0.00 3.97 1.51 -0.27 -4.90 117.35 118.85 1tpn s TYR 15 Ca 0.28 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1tpn s TYR 15 Cb -0.16 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1tpn s TYR 15 CO 0.15 0.39 0.00 1.04 -1.11 0.00 0.00 175.55 176.02 1tpn n GLN 16 N -1.04 1.02 -3.04 -0.62 6.02 -1.26 -0.56 117.38 117.89 1tpn n GLN 16 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.56 1tpn n GLN 16 Cb 0.67 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.87 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 -0.91 4.30 -1.54 -1.09 0.74 0.44 -3.69 119.66 117.90 1tpn s GLN 17 Ca 0.00 0.94 0.00 0.00 0.05 0.00 0.00 55.36 56.35 1tpn s GLN 17 Cb 0.00 -2.84 0.00 0.00 1.10 0.00 0.00 33.01 31.27 1tpn s GLN 17 CO 0.00 0.36 0.00 0.72 -0.55 0.00 0.00 175.29 175.82 1tpn n HIS 18 N 0.64 -0.61 -3.74 1.67 8.25 0.12 -4.92 115.22 116.63 1tpn n HIS 18 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1tpn n HIS 18 Cb 0.51 -2.98 -0.08 0.00 1.12 0.00 0.00 29.99 28.56 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 -3.92 4.07 -0.12 -0.41 0.74 -1.24 -4.81 119.66 113.97 1tpn s GLN 19 Ca 0.00 -0.17 -0.11 0.00 0.05 0.00 0.00 55.36 55.12 1tpn s GLN 19 Cb 0.00 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 1tpn s GLN 19 CO 0.00 0.38 0.25 -1.54 -0.55 0.00 0.00 175.29 173.83 1tpn s SER 20 N 0.13 6.48 -0.08 6.67 1.04 -1.26 -2.38 113.70 124.29 1tpn s SER 20 Ca 0.10 0.57 -0.04 0.00 0.48 0.00 0.00 55.95 57.06 1tpn s SER 20 Cb -0.11 -2.15 0.05 0.00 0.10 0.00 0.00 66.02 63.90 1tpn s SER 20 CO -0.00 0.26 0.18 -1.66 0.98 0.00 0.00 173.24 172.99 1tpn s TRP 21 N -0.38 -0.22 0.69 5.02 -2.14 0.65 -4.98 118.94 117.57 1tpn s TRP 21 Ca 0.17 0.62 -0.11 0.00 2.66 0.00 0.00 56.10 59.43 1tpn s TRP 21 Cb -0.13 -0.13 0.01 0.00 -3.10 0.00 0.00 33.47 30.12 1tpn s TRP 21 CO 0.05 -0.23 1.08 -0.51 -2.66 0.00 0.00 176.95 174.68 1tpn s LEU 22 N 1.73 2.97 0.08 -4.66 2.01 -1.26 -2.96 118.68 116.58 1tpn s LEU 22 Ca -0.04 1.24 -0.07 0.00 0.01 0.00 0.00 54.13 55.28 1tpn s LEU 22 Cb -0.12 -4.09 -0.01 0.00 0.01 0.00 0.00 46.19 41.98 1tpn s LEU 22 CO -0.06 -1.29 0.15 -0.13 1.01 0.00 0.00 176.35 176.03 1tpn s ARG 23 N -5.28 0.78 1.02 1.70 0.52 0.93 -4.95 118.95 113.68 1tpn s ARG 23 Ca 0.58 -0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 54.67 1tpn s ARG 23 Cb -0.11 0.31 0.17 0.00 0.52 0.00 0.00 34.95 35.83 1tpn s ARG 23 CO 0.53 -0.23 0.29 -2.30 0.02 0.00 0.00 175.30 173.61 1tpn n PRO 24 N 0.04 -2.27 -2.17 3.54 -0.02 -1.26 -1.58 135.00 131.28 1tpn n PRO 24 Ca -0.15 -0.67 -0.27 0.00 -2.02 0.00 0.00 63.50 60.38 1tpn n PRO 24 Cb 0.62 -1.49 0.15 0.00 -0.02 0.00 0.00 33.50 32.76 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 -2.08 2.05 -0.04 -1.45 -7.23 -1.26 -3.14 120.40 107.26 1tpn s VAL 25 Ca 0.38 -0.22 -0.03 0.00 -1.81 0.00 0.00 61.98 60.30 1tpn s VAL 25 Cb -0.06 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 1tpn s VAL 25 CO 0.36 0.00 -0.05 0.18 -0.31 0.00 0.00 175.10 175.28 1tpn n LEU 26 N -3.41 0.48 0.00 1.32 4.77 -1.26 -4.93 117.00 113.97 1tpn n LEU 26 Ca 0.15 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 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 -0.49 0.00 0.54 -1.33 0.00 0.00 177.39 176.56 1tpn n ARG 27 N -2.89 3.44 0.00 3.23 1.74 -1.26 -5.07 116.66 115.85 1tpn n ARG 27 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1tpn n ARG 27 Cb 0.07 -0.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.23 0.55 7.64 -1.26 -5.03 113.62 115.29 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 -0.46 -3.01 0.00 0.00 175.04 171.57 1tpn n ASN 29 N 0.00 0.11 -3.20 6.43 0.23 -1.26 -4.99 115.26 112.58 1tpn n ASN 29 Ca 0.00 -1.54 -0.19 0.00 -0.53 0.00 0.00 54.58 52.33 1tpn n ASN 29 Cb 0.00 -0.10 0.13 0.00 -2.08 0.00 0.00 39.78 37.73 1tpn n ASN 29 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1tpn n ARG 30 N -0.05 -1.08 -4.56 -3.83 1.74 -1.26 -4.35 116.66 103.27 1tpn n ARG 30 Ca 0.00 -1.27 -0.22 0.00 -0.77 0.00 0.00 57.85 55.60 1tpn n ARG 30 Cb 0.59 -0.89 -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 -2.74 1.11 -0.36 1.55 -7.23 -0.95 -3.99 120.40 107.78 1tpn s VAL 31 Ca 0.47 -0.71 -0.21 0.00 -1.81 0.00 0.00 61.98 59.72 1tpn s VAL 31 Cb -0.02 -0.95 0.01 0.00 0.56 0.00 0.00 36.38 35.98 1tpn s VAL 31 CO 0.34 0.23 0.69 -1.61 -0.31 0.00 0.00 175.10 174.44 1tpn s GLU 32 N -0.55 3.68 -0.23 4.82 0.41 -0.61 -3.28 118.70 122.95 1tpn s GLU 32 Ca 0.04 0.12 -0.08 0.00 -0.41 0.00 0.00 54.97 54.64 1tpn s GLU 32 Cb -0.06 -3.82 -0.04 0.00 -1.78 0.00 0.00 34.13 28.43 1tpn s GLU 32 CO -0.00 -0.80 0.09 -0.47 -0.49 0.00 0.00 175.26 173.60 1tpn s TYR 33 N 2.86 3.19 -0.05 1.61 6.14 -1.06 -0.05 117.35 129.99 1tpn s TYR 33 Ca 0.27 -0.08 -0.12 0.00 0.64 0.00 0.00 57.07 57.77 1tpn s TYR 33 Cb -0.14 -2.20 0.02 0.00 0.42 0.00 0.00 41.96 40.06 1tpn s TYR 33 CO 0.16 -0.09 0.29 0.00 0.64 0.00 0.00 175.55 176.55 1tpn s TRP 35 N -0.73 0.12 -0.35 0.00 -2.14 0.10 -0.26 118.94 115.69 1tpn s TRP 35 Ca -0.08 -0.28 -0.29 0.00 2.66 0.00 0.00 56.10 58.11 1tpn s TRP 35 Cb -0.04 -0.10 0.02 0.00 -3.10 0.00 0.00 33.47 30.25 1tpn s TRP 35 CO 0.02 -0.27 1.14 0.00 -2.66 0.00 0.00 176.95 175.18 1tpn h ASN 37 N 8.59 0.00 0.00 0.00 -1.24 -1.91 0.33 115.58 121.34 1tpn h ASN 37 Ca -0.22 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1tpn h ASN 37 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1tpn h ASN 37 CO 1.05 0.02 0.00 -1.20 -1.29 0.00 0.00 177.43 176.02 1tpn n SER 38 N -2.63 0.00 0.00 1.15 7.64 -1.26 -4.79 113.62 113.73 1tpn n SER 38 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 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 -0.01 -0.26 0.00 0.23 0.00 -1.25 -4.28 105.19 99.62 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 2.16 -2.81 1.61 1.85 -1.26 -4.87 116.66 113.34 1tpn n ARG 40 Ca 0.00 -1.29 -0.03 0.00 -1.00 0.00 0.00 57.85 55.53 1tpn n ARG 40 Cb 0.00 -0.99 -0.03 0.00 -1.05 0.00 0.00 32.46 30.39 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 -0.39 -2.69 -2.61 2.89 0.00 -1.26 -4.89 120.51 111.55 1tpn n ALA 41 Ca 0.00 1.31 -0.41 0.00 0.00 0.00 0.00 53.44 54.34 1tpn n ALA 41 Cb 0.20 -2.77 -0.06 0.00 0.00 0.00 0.00 19.45 16.82 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 -0.57 3.99 0.14 0.00 -0.44 0.25 -4.88 119.66 118.15 1tpn s GLN 42 Ca -0.15 0.43 0.10 0.00 -2.50 0.00 0.00 55.36 53.23 1tpn s GLN 42 Cb 0.01 -3.70 -0.04 0.00 -1.64 0.00 0.00 33.01 27.64 1tpn s GLN 42 CO 0.48 -0.52 -0.24 0.00 0.50 0.00 0.00 175.29 175.52 1tpn s HIS 44 N -1.33 -0.24 -0.32 0.00 -3.43 0.06 -5.00 115.29 105.04 1tpn s HIS 44 Ca 0.13 0.59 -0.16 0.00 -0.80 0.00 0.00 55.06 54.82 1tpn s HIS 44 Cb -0.09 0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.11 1tpn s HIS 44 CO 0.06 -0.13 0.42 -1.54 -2.00 0.00 0.00 174.74 171.55 1tpn s SER 45 N 0.32 6.26 -0.06 7.38 1.04 -1.26 -2.57 113.70 124.81 1tpn s SER 45 Ca -0.02 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.51 1tpn s SER 45 Cb -0.03 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 1tpn s SER 45 CO -0.01 -0.33 -0.23 0.54 0.98 0.00 0.00 173.24 174.20 1tpn s VAL 46 N 2.16 1.87 1.47 5.02 0.11 -1.20 -5.01 120.40 124.82 1tpn s VAL 46 Ca 0.15 -0.96 -0.24 0.00 -2.93 0.00 0.00 61.98 58.00 1tpn s VAL 46 Cb -0.16 -1.60 0.38 0.00 -1.53 0.00 0.00 36.38 33.47 1tpn s VAL 46 CO 0.11 0.52 0.87 -0.81 -3.33 0.00 0.00 175.10 172.47 1tpn n PRO 47 N 3.07 -4.77 0.06 1.54 -0.04 -1.26 -2.24 135.00 131.36 1tpn n PRO 47 Ca -0.18 -1.41 -0.01 0.00 -0.04 0.00 0.00 63.50 61.86 1tpn n PRO 47 Cb 0.52 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 1tpn n PRO 47 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1tpn h VAL 48 N -3.61 0.72 -2.00 0.52 3.04 -1.90 -3.40 116.25 109.62 1tpn h VAL 48 Ca -0.41 -2.23 -0.48 0.00 -1.01 0.00 0.00 66.70 62.57 1tpn h VAL 48 Cb 1.33 2.24 -0.40 0.00 -2.01 0.00 0.00 31.29 32.44 1tpn h VAL 48 CO 0.25 0.41 -1.19 1.17 -1.01 0.00 0.00 177.57 177.20 1tpn n LYS 49 N -3.03 0.99 -0.03 4.17 4.81 -1.26 -5.11 118.16 118.69 1tpn n LYS 49 Ca -0.06 -3.39 0.00 0.00 -0.87 0.00 0.00 58.31 53.99 1tpn n LYS 49 Cb 0.84 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1tpn n LYS 49 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44