#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrr n LYS 2 N 0.00 0.00 -3.51 0.03 4.76 -1.26 -3.56 118.16 114.62 2wrr n LYS 2 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2wrr n LYS 2 Cb 0.00 -0.45 -0.14 0.00 -1.84 0.00 0.00 35.03 32.60 2wrr n LYS 2 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wrr s VAL 3 N -2.00 -0.22 0.18 -0.18 1.01 -1.26 -2.70 120.40 115.23 2wrr s VAL 3 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2wrr s VAL 3 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2wrr s VAL 3 CO 0.00 -0.40 0.17 0.00 0.00 0.00 0.00 175.10 174.87 2wrr s ARG 4 N 2.23 1.16 0.00 2.72 1.70 -1.26 -4.80 118.95 120.71 2wrr s ARG 4 Ca 0.07 -1.47 0.19 0.00 -0.47 0.00 0.00 55.73 54.04 2wrr s ARG 4 Cb -0.16 0.30 0.83 0.00 -0.57 0.00 0.00 34.95 35.35 2wrr s ARG 4 CO -0.21 -0.39 1.57 0.00 -1.08 0.00 0.00 175.30 175.19 2wrr n ALA 5 N -0.23 2.55 -3.66 7.88 0.00 0.30 0.73 120.51 128.09 2wrr n ALA 5 Ca -0.02 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 2wrr n ALA 5 Cb 0.64 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.79 2wrr n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrr s SER 6 N -1.52 3.75 -0.12 0.00 0.15 -1.26 -4.82 113.70 109.88 2wrr s SER 6 Ca 0.29 -1.44 -0.17 0.00 0.70 0.00 0.00 55.95 55.33 2wrr s SER 6 Cb 0.15 -0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 2wrr s SER 6 CO 0.23 -0.42 0.43 -0.69 1.20 0.00 0.00 173.24 173.99 2wrr s VAL 7 N 1.83 5.20 0.20 4.45 1.01 -1.26 -5.01 120.40 126.81 2wrr s VAL 7 Ca 0.09 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2wrr s VAL 7 Cb -0.17 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2wrr s VAL 7 CO -0.29 0.36 0.03 -0.54 0.00 0.00 0.00 175.10 174.66 2wrr s LYS 8 N 0.45 1.19 -0.89 2.72 -0.14 -1.26 -5.06 119.74 116.76 2wrr s LYS 8 Ca 0.23 -1.60 -0.03 0.00 -1.36 0.00 0.00 55.97 53.22 2wrr s LYS 8 Cb -0.15 -0.26 0.23 0.00 -1.68 0.00 0.00 37.83 35.97 2wrr s LYS 8 CO 0.09 -0.18 2.23 0.54 -0.76 0.00 0.00 175.35 177.27 2wrr n ARG 9 N -0.30 3.70 -1.19 1.68 1.74 -1.26 -4.92 116.66 116.10 2wrr n ARG 9 Ca -0.05 -3.51 -0.14 0.00 -0.77 0.00 0.00 57.85 53.38 2wrr n ARG 9 Cb 0.64 -2.36 -0.15 0.00 -1.02 0.00 0.00 32.46 29.58 2wrr n ARG 9 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wrr n ILE 10 N 0.35 0.00 0.00 0.55 -0.00 -1.26 -4.11 119.36 114.89 2wrr n ILE 10 Ca 0.53 -0.44 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 2wrr n ILE 10 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.96 2wrr n ILE 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wrr n ASP 12 N 0.00 0.14 -0.45 0.00 5.75 -1.26 -4.84 116.55 115.89 2wrr n ASP 12 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 2wrr n ASP 12 Cb 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2wrr n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wrr n LYS 13 N -2.95 0.00 -3.52 0.11 5.02 -1.26 -4.65 118.16 110.91 2wrr n LYS 13 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2wrr n LYS 13 Cb 0.00 -0.96 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 2wrr n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrr n LYS 15 N -1.14 0.65 -1.41 0.00 5.02 -0.04 -4.95 118.16 116.28 2wrr n LYS 15 Ca -0.04 -2.43 -0.03 0.00 -2.02 0.00 0.00 58.31 53.79 2wrr n LYS 15 Cb 0.55 1.39 0.10 0.00 -0.02 0.00 0.00 35.03 37.05 2wrr n LYS 15 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wrr n VAL 16 N -0.63 1.75 -1.56 -0.18 0.31 -1.26 -3.89 118.33 112.87 2wrr n VAL 16 Ca -0.03 -3.03 -0.39 0.00 -0.01 0.00 0.00 64.34 60.88 2wrr n VAL 16 Cb 0.43 -0.05 0.03 0.00 -0.91 0.00 0.00 33.84 33.35 2wrr n VAL 16 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2wrr n ILE 17 N -0.64 2.79 -4.46 2.52 2.08 -1.26 -4.80 119.36 115.60 2wrr n ILE 17 Ca 0.22 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.80 2wrr n ILE 17 Cb 0.87 -0.98 -0.10 0.00 -0.75 0.00 0.00 39.64 38.67 2wrr n ILE 17 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2wrr s ARG 18 N -2.27 1.64 0.00 0.38 3.52 -1.26 -2.24 118.95 118.72 2wrr s ARG 18 Ca 0.69 -1.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.44 2wrr s ARG 18 Cb -0.48 -1.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 2wrr s ARG 18 CO 0.53 0.02 0.00 2.89 -0.81 0.00 0.00 175.30 177.93 2wrr n ARG 19 N -0.66 0.00 0.00 5.12 1.85 -0.93 -4.92 116.66 117.12 2wrr n ARG 19 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2wrr n ARG 19 Cb 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 2wrr n ARG 19 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wrr n HIS 20 N -0.28 0.00 0.00 2.89 8.25 -1.26 -0.59 115.22 124.23 2wrr n HIS 20 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wrr n HIS 20 Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2wrr n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrr n GLY 21 N -0.13 0.39 3.19 -1.41 0.00 -1.26 -5.13 105.19 100.84 2wrr n GLY 21 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2wrr n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrr s ARG 22 N 0.00 0.87 -0.26 1.61 0.52 0.24 -5.13 118.95 116.80 2wrr s ARG 22 Ca 0.00 -1.05 -0.19 0.00 -0.52 0.00 0.00 55.73 53.98 2wrr s ARG 22 Cb 0.00 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.64 2wrr s ARG 22 CO 0.00 0.17 0.55 0.08 0.02 0.00 0.00 175.30 176.12 2wrr s VAL 23 N -1.63 5.04 0.00 3.52 1.01 -1.26 -2.19 120.40 124.88 2wrr s VAL 23 Ca 0.01 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2wrr s VAL 23 Cb -0.08 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2wrr s VAL 23 CO 0.02 0.06 0.00 -1.22 0.00 0.00 0.00 175.10 173.96 2wrr n TYR 24 N 5.60 0.00 -3.10 5.22 4.02 -0.95 -3.63 117.16 124.31 2wrr n TYR 24 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.91 2wrr n TYR 24 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 2wrr n TYR 24 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2wrr s VAL 25 N 1.70 -0.44 0.46 -0.72 1.01 -0.80 -4.53 120.40 117.09 2wrr s VAL 25 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2wrr s VAL 25 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 2wrr s VAL 25 CO 0.00 0.00 0.81 -0.63 0.00 0.00 0.00 175.10 175.28 2wrr s ILE 26 N 2.75 4.82 0.07 2.22 1.01 -1.25 -2.73 121.20 128.08 2wrr s ILE 26 Ca 0.22 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 2wrr s ILE 26 Cb -0.03 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2wrr s ILE 26 CO -0.22 -0.73 0.17 0.00 0.00 0.00 0.00 174.94 174.16 2wrr h GLU 28 N 0.00 -0.26 -5.81 0.00 4.22 -1.97 -3.45 114.58 107.31 2wrr h GLU 28 Ca -0.07 0.02 -0.64 0.00 0.08 0.00 0.00 59.36 58.75 2wrr h GLU 28 Cb 0.25 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2wrr h GLU 28 CO 0.08 0.06 -0.35 0.54 -2.18 0.00 0.00 179.01 177.17 2wrr s ASN 29 N -5.36 6.58 0.57 1.04 6.03 -1.26 -4.99 114.94 117.55 2wrr s ASN 29 Ca -0.10 0.70 0.35 0.00 -1.03 0.00 0.00 52.86 52.78 2wrr s ASN 29 Cb 0.00 -2.15 1.93 0.00 -3.03 0.00 0.00 41.25 37.99 2wrr s ASN 29 CO 0.35 0.37 2.08 1.55 -2.03 0.00 0.00 177.10 179.42 2wrr h PRO 30 N 4.86 0.00 0.00 3.55 0.13 -2.01 -2.85 132.00 135.68 2wrr h PRO 30 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2wrr h PRO 30 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wrr h PRO 30 CO 0.60 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.00 2wrr n LYS 31 N -2.81 0.05 0.00 0.86 5.02 -1.26 -1.35 118.16 118.67 2wrr n LYS 31 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2wrr n LYS 31 Cb 0.13 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2wrr n LYS 31 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2wrr n HIS 32 N -0.81 0.00 -1.53 2.13 8.25 -1.08 -4.13 115.22 118.05 2wrr n HIS 32 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.30 2wrr n HIS 32 Cb 0.00 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 2wrr n HIS 32 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wrr n LYS 33 N -0.30 0.31 -3.45 -0.41 5.02 -0.46 -4.81 118.16 114.06 2wrr n LYS 33 Ca 0.00 -0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 55.49 2wrr n LYS 33 Cb 0.04 -2.53 -0.04 0.00 -0.02 0.00 0.00 35.03 32.47 2wrr n LYS 33 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2wrr s GLN 34 N 8.08 3.69 0.00 1.97 2.00 -1.11 -4.18 119.66 130.11 2wrr s GLN 34 Ca 1.09 0.08 0.00 0.00 -2.00 0.00 0.00 55.36 54.53 2wrr s GLN 34 Cb -0.44 -2.70 0.00 0.00 0.80 0.00 0.00 33.01 30.67 2wrr s GLN 34 CO 0.29 0.32 0.49 -2.13 -0.50 0.00 0.00 175.29 173.75 2wrr n ARG 35 N -0.38 0.00 -1.67 1.67 0.63 -1.10 -1.91 116.66 113.90 2wrr n ARG 35 Ca -0.01 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.44 2wrr n ARG 35 Cb 0.53 -0.43 0.00 0.00 0.45 0.00 0.00 32.46 33.00 2wrr n ARG 35 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2wrr n GLN 36 N 0.00 -1.58 0.00 -0.14 7.27 -1.24 -4.67 117.38 117.03 2wrr n GLN 36 Ca 0.00 1.11 0.00 0.00 0.07 0.00 0.00 57.00 58.18 2wrr n GLN 36 Cb 0.52 -1.57 0.00 0.00 2.41 0.00 0.00 30.24 31.60 2wrr n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54