#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpm s TYR 2 N 0.00 2.60 -0.37 7.33 2.02 -1.26 -5.02 117.35 122.65 1tpm s TYR 2 Ca 0.00 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.26 1tpm s TYR 2 Cb 0.00 -3.10 0.12 0.00 -0.40 0.00 0.00 41.96 38.57 1tpm s TYR 2 CO 0.00 -1.75 0.15 -0.65 -1.57 0.00 0.00 175.55 171.73 1tpm s GLN 3 N -4.54 1.00 0.00 -0.62 -0.21 -1.26 -4.87 119.66 109.16 1tpm s GLN 3 Ca 0.64 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 54.50 1tpm s GLN 3 Cb -0.19 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1tpm s GLN 3 CO 0.49 -1.06 0.00 1.33 -2.12 0.00 0.00 175.29 173.93 1tpm n VAL 4 N 4.25 0.00 -1.02 1.09 0.24 -1.26 -4.66 118.33 116.98 1tpm n VAL 4 Ca 0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.04 1tpm n VAL 4 Cb 0.39 0.07 0.23 0.00 -1.47 0.00 0.00 33.84 33.05 1tpm n VAL 4 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1tpm s ILE 5 N -0.70 1.70 -0.28 1.34 -4.36 -1.26 -3.36 121.20 114.27 1tpm s ILE 5 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.36 1tpm s ILE 5 Cb 0.00 -2.43 0.11 0.00 1.25 0.00 0.00 42.46 41.39 1tpm s ILE 5 CO 0.00 0.00 0.19 0.00 0.24 0.00 0.00 174.94 175.37 1tpm s ARG 7 N 2.20 3.84 -0.36 0.00 3.52 -1.26 -1.70 118.95 125.19 1tpm s ARG 7 Ca 0.09 0.88 -0.16 0.00 -0.13 0.00 0.00 55.73 56.41 1tpm s ARG 7 Cb -0.15 -3.87 -0.00 0.00 -1.56 0.00 0.00 34.95 29.37 1tpm s ARG 7 CO -0.34 -1.21 0.38 0.34 -0.81 0.00 0.00 175.30 173.65 1tpm s ASP 8 N 2.45 6.18 0.06 -2.12 2.15 -0.62 -4.92 116.67 119.85 1tpm s ASP 8 Ca 0.50 -0.34 0.26 0.00 0.43 0.00 0.00 52.55 53.39 1tpm s ASP 8 Cb -0.11 -2.20 1.03 0.00 -0.30 0.00 0.00 42.92 41.34 1tpm s ASP 8 CO 0.25 -0.40 1.80 -1.84 -0.17 0.00 0.00 175.17 174.82 1tpm n GLU 9 N 5.43 0.06 0.27 4.34 0.28 -1.26 0.17 120.64 129.94 1tpm n GLU 9 Ca -0.09 0.11 0.18 0.00 -0.16 0.00 0.00 57.16 57.21 1tpm n GLU 9 Cb 0.49 -1.58 0.80 0.00 1.43 0.00 0.00 31.44 32.57 1tpm n GLU 9 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1tpm h LYS 10 N 0.00 0.00 0.00 3.44 6.56 -1.95 -3.30 116.57 121.32 1tpm h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1tpm h LYS 10 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1tpm h LYS 10 CO 0.00 0.00 0.00 -2.37 -2.06 0.00 0.00 179.45 175.02 1tpm n THR 11 N -2.94 0.00 -2.27 -0.16 5.66 -1.16 -5.01 114.28 108.40 1tpm n THR 11 Ca -0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1tpm n THR 11 Cb 0.22 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 1tpm n THR 11 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1tpm n GLN 12 N 0.00 -0.99 -4.51 1.09 7.27 0.46 -5.02 117.38 115.69 1tpm n GLN 12 Ca 0.00 0.36 -0.33 0.00 0.07 0.00 0.00 57.00 57.09 1tpm n GLN 12 Cb 0.01 -4.19 -0.13 0.00 2.41 0.00 0.00 30.24 28.34 1tpm n GLN 12 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1tpm s MET 13 N -4.56 3.56 0.01 3.69 1.75 -0.74 -4.87 119.30 118.14 1tpm s MET 13 Ca 0.04 -0.58 -0.11 0.00 -1.25 0.00 0.00 55.69 53.79 1tpm s MET 13 Cb -0.02 -2.82 -0.05 0.00 2.84 0.00 0.00 34.83 34.78 1tpm s MET 13 CO 0.04 0.21 0.35 0.42 -0.65 0.00 0.00 175.02 175.39 1tpm s ILE 14 N 0.42 5.16 0.37 10.11 1.01 -1.26 -1.59 121.20 135.42 1tpm s ILE 14 Ca -0.06 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.15 1tpm s ILE 14 Cb -0.15 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1tpm s ILE 14 CO 0.04 0.45 0.05 -0.31 0.00 0.00 0.00 174.94 175.16 1tpm s TYR 15 N -1.22 2.11 0.00 3.97 2.02 -0.69 -4.90 117.35 118.65 1tpm s TYR 15 Ca 0.26 -0.90 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1tpm s TYR 15 Cb -0.15 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1tpm s TYR 15 CO 0.14 0.13 0.00 1.04 -1.57 0.00 0.00 175.55 175.30 1tpm n GLN 16 N -0.83 1.17 -2.91 -0.62 6.02 -1.26 -0.62 117.38 118.33 1tpm n GLN 16 Ca -0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.57 1tpm n GLN 16 Cb 0.67 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.86 1tpm n GLN 16 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1tpm s GLN 17 N -0.64 4.48 -1.55 -1.09 0.74 -1.21 -3.58 119.66 116.80 1tpm s GLN 17 Ca 0.00 1.16 0.00 0.00 0.05 0.00 0.00 55.36 56.57 1tpm s GLN 17 Cb 0.00 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.23 1tpm s GLN 17 CO 0.00 0.35 0.00 0.72 -0.55 0.00 0.00 175.29 175.81 1tpm n HIS 18 N 0.74 -0.34 -3.51 1.67 8.25 0.77 -4.91 115.22 117.90 1tpm n HIS 18 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1tpm n HIS 18 Cb 0.50 -2.76 -0.09 0.00 1.12 0.00 0.00 29.99 28.76 1tpm n HIS 18 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1tpm s GLN 19 N -3.31 4.11 0.03 -0.41 0.74 -1.24 -4.80 119.66 114.78 1tpm s GLN 19 Ca 0.00 -0.02 -0.16 0.00 0.05 0.00 0.00 55.36 55.23 1tpm s GLN 19 Cb 0.00 -3.55 -0.06 0.00 1.10 0.00 0.00 33.01 30.50 1tpm s GLN 19 CO 0.00 -0.03 0.47 -1.54 -0.55 0.00 0.00 175.29 173.64 1tpm s SER 20 N 1.13 6.90 -0.21 6.67 1.04 -1.26 -2.63 113.70 125.34 1tpm s SER 20 Ca 0.14 1.08 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 1tpm s SER 20 Cb -0.14 -2.29 0.11 0.00 0.10 0.00 0.00 66.02 63.79 1tpm s SER 20 CO 0.07 0.30 0.31 -1.66 0.98 0.00 0.00 173.24 173.24 1tpm s TRP 21 N -1.11 -0.59 0.37 5.02 -2.14 -0.27 -4.99 118.94 115.24 1tpm s TRP 21 Ca 0.26 0.71 -0.26 0.00 2.66 0.00 0.00 56.10 59.47 1tpm s TRP 21 Cb -0.18 -0.09 -0.09 0.00 -3.10 0.00 0.00 33.47 30.01 1tpm s TRP 21 CO 0.16 -0.61 1.07 -0.51 -2.66 0.00 0.00 176.95 174.39 1tpm s LEU 22 N 2.46 4.26 0.17 -4.66 2.01 -1.26 -3.14 118.68 118.52 1tpm s LEU 22 Ca 0.08 2.13 0.09 0.00 0.01 0.00 0.00 54.13 56.44 1tpm s LEU 22 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 46.19 42.00 1tpm s LEU 22 CO -0.13 -0.41 -0.11 -0.13 1.01 0.00 0.00 176.35 176.57 1tpm s ARG 23 N -2.18 2.00 1.23 1.70 3.00 0.83 -4.97 118.95 120.56 1tpm s ARG 23 Ca 0.54 -1.25 -0.17 0.00 0.00 0.00 0.00 55.73 54.84 1tpm s ARG 23 Cb -0.26 -2.15 0.26 0.00 0.00 0.00 0.00 34.95 32.80 1tpm s ARG 23 CO 0.32 0.44 0.62 -2.30 0.00 0.00 0.00 175.30 174.39 1tpm n PRO 24 N 0.20 -2.88 -2.18 3.54 -0.02 -1.26 -1.75 135.00 130.65 1tpm n PRO 24 Ca -0.12 -0.83 -0.27 0.00 -2.02 0.00 0.00 63.50 60.26 1tpm n PRO 24 Cb 0.55 -1.89 0.15 0.00 -0.02 0.00 0.00 33.50 32.28 1tpm n PRO 24 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1tpm s VAL 25 N -2.24 2.06 -0.04 -1.45 -7.23 -1.25 -4.02 120.40 106.23 1tpm s VAL 25 Ca 0.61 -0.23 -0.03 0.00 -1.81 0.00 0.00 61.98 60.52 1tpm s VAL 25 Cb -0.17 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 1tpm s VAL 25 CO 0.60 0.00 -0.06 0.18 -0.31 0.00 0.00 175.10 175.51 1tpm n LEU 26 N -3.38 0.56 0.00 1.32 4.77 -1.26 -4.94 117.00 114.07 1tpm n LEU 26 Ca 0.15 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1tpm n LEU 26 Cb 0.60 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1tpm n LEU 26 CO 0.45 -0.49 0.00 0.54 -1.33 0.00 0.00 177.39 176.57 1tpm n ARG 27 N -3.00 2.36 0.00 3.23 1.74 -1.26 -5.05 116.66 114.68 1tpm n ARG 27 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1tpm n ARG 27 Cb 0.09 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 1tpm n ARG 27 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1tpm n SER 28 N 0.00 0.00 -0.26 0.55 7.64 -1.26 -5.03 113.62 115.26 1tpm n SER 28 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tpm n SER 28 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tpm n SER 28 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1tpm n ASN 29 N 0.00 0.00 -4.92 6.43 2.85 -1.26 -5.08 115.26 113.27 1tpm n ASN 29 Ca 0.00 -0.67 -0.26 0.00 -0.11 0.00 0.00 54.58 53.54 1tpm n ASN 29 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 1tpm n ASN 29 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1tpm s ARG 30 N 0.00 3.53 -0.10 1.20 0.52 -1.26 -4.51 118.95 118.33 1tpm s ARG 30 Ca 0.00 -0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.05 1tpm s ARG 30 Cb 0.00 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 1tpm s ARG 30 CO 0.00 0.07 0.06 0.14 0.02 0.00 0.00 175.30 175.59 1tpm s VAL 31 N -2.37 4.80 -0.39 3.52 -7.23 -1.25 -3.77 120.40 113.71 1tpm s VAL 31 Ca 0.43 -0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 60.32 1tpm s VAL 31 Cb -0.10 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.80 1tpm s VAL 31 CO 0.37 0.61 0.71 -1.61 -0.31 0.00 0.00 175.10 174.87 1tpm s GLU 32 N -0.94 3.58 -0.29 4.82 2.02 -0.72 -3.55 118.70 123.62 1tpm s GLU 32 Ca 0.14 0.03 -0.19 0.00 0.02 0.00 0.00 54.97 54.97 1tpm s GLU 32 Cb -0.12 -3.86 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 1tpm s GLU 32 CO 0.03 -0.89 0.56 -0.47 0.02 0.00 0.00 175.26 174.50 1tpm s TYR 33 N 2.97 3.23 -0.14 1.61 6.14 0.41 -0.12 117.35 131.45 1tpm s TYR 33 Ca 0.27 0.55 -0.01 0.00 0.64 0.00 0.00 57.07 58.52 1tpm s TYR 33 Cb -0.13 -2.85 0.04 0.00 0.42 0.00 0.00 41.96 39.44 1tpm s TYR 33 CO 0.18 -0.39 -0.01 0.00 0.64 0.00 0.00 175.55 175.97 1tpm s TRP 35 N 1.81 1.49 -0.34 0.00 -2.14 0.22 -1.11 118.94 118.87 1tpm s TRP 35 Ca 0.02 -0.47 -0.26 0.00 2.66 0.00 0.00 56.10 58.05 1tpm s TRP 35 Cb -0.15 -0.81 0.01 0.00 -3.10 0.00 0.00 33.47 29.43 1tpm s TRP 35 CO -0.07 0.15 0.91 0.00 -2.66 0.00 0.00 176.95 175.27 1tpm h ASN 37 N 8.32 0.00 0.00 0.00 -1.24 -1.92 0.22 115.58 120.96 1tpm h ASN 37 Ca -0.23 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1tpm h ASN 37 Cb 1.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.13 1tpm h ASN 37 CO 0.96 0.01 0.00 -1.54 -1.29 0.00 0.00 177.43 175.57 1tpm n SER 38 N -2.70 0.00 0.00 1.15 3.41 -1.26 -4.80 113.62 109.43 1tpm n SER 38 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1tpm n SER 38 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1tpm n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tpm n GLY 39 N -0.01 -0.55 0.81 5.00 0.00 -1.26 -4.23 105.19 104.94 1tpm n GLY 39 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1tpm n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1tpm n ARG 40 N 0.00 2.75 -3.07 1.61 1.85 -1.26 -4.79 116.66 113.74 1tpm n ARG 40 Ca 0.00 -2.17 -0.10 0.00 -1.00 0.00 0.00 57.85 54.58 1tpm n ARG 40 Cb 0.00 -1.34 0.01 0.00 -1.05 0.00 0.00 32.46 30.08 1tpm n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tpm n ALA 41 N 0.81 -2.64 -1.79 2.89 0.00 -1.26 -4.91 120.51 113.60 1tpm n ALA 41 Ca 0.15 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.67 1tpm n ALA 41 Cb 0.47 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1tpm n ALA 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1tpm s GLN 42 N -1.75 3.81 0.21 0.00 -0.44 0.53 -4.80 119.66 117.22 1tpm s GLN 42 Ca 0.12 1.07 -0.20 0.00 -2.50 0.00 0.00 55.36 53.86 1tpm s GLN 42 Cb -0.02 -2.11 0.04 0.00 -1.64 0.00 0.00 33.01 29.28 1tpm s GLN 42 CO 0.53 -0.39 0.60 0.00 0.50 0.00 0.00 175.29 176.53 1tpm s HIS 44 N -3.84 -0.19 -0.13 0.00 -3.43 0.86 -4.99 115.29 103.57 1tpm s HIS 44 Ca 0.07 -0.21 -0.00 0.00 -0.80 0.00 0.00 55.06 54.12 1tpm s HIS 44 Cb -0.02 0.68 0.02 0.00 -1.43 0.00 0.00 32.58 31.83 1tpm s HIS 44 CO -0.04 -1.09 -0.11 0.45 -2.00 0.00 0.00 174.74 171.96 1tpm s SER 45 N -2.91 2.40 -0.24 7.38 0.15 -1.26 -0.45 113.70 118.77 1tpm s SER 45 Ca 0.11 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.38 1tpm s SER 45 Cb -0.04 -0.99 0.04 0.00 -1.71 0.00 0.00 66.02 63.31 1tpm s SER 45 CO 0.04 -0.09 -0.12 -0.69 1.20 0.00 0.00 173.24 173.59 1tpm s VAL 46 N 1.58 2.36 1.34 4.45 1.01 -1.23 -5.00 120.40 124.91 1tpm s VAL 46 Ca 0.04 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 1tpm s VAL 46 Cb -0.13 -2.23 0.34 0.00 0.00 0.00 0.00 36.38 34.36 1tpm s VAL 46 CO -0.09 0.19 0.96 -2.16 0.00 0.00 0.00 175.10 174.00 1tpm s PRO 47 N 1.22 -2.31 0.12 2.72 0.04 -1.26 -3.90 135.00 131.63 1tpm s PRO 47 Ca -0.02 0.37 0.07 0.00 0.04 0.00 0.00 61.00 61.46 1tpm s PRO 47 Cb -0.17 -1.43 -0.20 0.00 0.04 0.00 0.00 34.50 32.73 1tpm s PRO 47 CO -0.07 -4.52 1.27 -0.24 0.04 0.00 0.00 177.00 173.48 1tpm h VAL 48 N -3.18 1.68 -2.82 -0.36 3.04 -1.97 -3.44 116.25 109.21 1tpm h VAL 48 Ca -0.50 -3.39 -0.56 0.00 -1.01 0.00 0.00 66.70 61.24 1tpm h VAL 48 Cb 1.34 2.83 -0.03 0.00 -2.01 0.00 0.00 31.29 33.42 1tpm h VAL 48 CO 0.36 0.96 1.09 -0.54 -1.01 0.00 0.00 177.57 178.44 1tpm s LYS 49 N -2.71 3.84 0.00 4.17 1.02 -1.26 -5.20 119.74 119.60 1tpm s LYS 49 Ca 0.01 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.62 1tpm s LYS 49 Cb 0.10 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1tpm s LYS 49 CO 0.82 -1.23 0.00 0.45 -0.92 0.00 0.00 175.35 174.47