#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s LEU 10 N 0.00 4.44 -0.24 -1.96 2.01 -1.26 -2.38 118.68 119.28 2wdi s LEU 10 Ca 0.00 1.06 -0.26 0.00 0.01 0.00 0.00 54.13 54.93 2wdi s LEU 10 Cb 0.00 -2.90 0.11 0.00 0.01 0.00 0.00 46.19 43.41 2wdi s LEU 10 CO 0.00 0.23 0.96 -0.22 1.01 0.00 0.00 176.35 178.33 2wdi s LEU 11 N -1.43 -0.49 0.39 1.79 1.98 -1.26 -4.80 118.68 114.87 2wdi s LEU 11 Ca 0.30 0.85 0.08 0.00 -2.89 0.00 0.00 54.13 52.47 2wdi s LEU 11 Cb -0.17 2.00 -0.08 0.00 0.66 0.00 0.00 46.19 48.61 2wdi s LEU 11 CO 0.17 -0.23 -0.02 -1.83 -1.89 0.00 0.00 176.35 172.56 2wdi s GLU 12 N -0.09 1.93 0.05 1.98 1.03 -1.26 -0.62 118.70 121.73 2wdi s GLU 12 Ca 0.01 -2.05 0.08 0.00 0.03 0.00 0.00 54.97 53.04 2wdi s GLU 12 Cb -0.04 -1.67 -0.03 0.00 -0.80 0.00 0.00 34.13 31.59 2wdi s GLU 12 CO -0.03 0.00 -0.22 0.00 -1.33 0.00 0.00 175.26 173.68 2wdi s THR 14 N -0.90 4.68 -0.64 0.00 -1.32 -1.25 -2.59 115.64 113.63 2wdi s THR 14 Ca 0.14 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 2wdi s THR 14 Cb -0.10 -3.12 0.00 0.00 -1.51 0.00 0.00 72.50 67.77 2wdi s THR 14 CO 0.04 0.37 0.58 1.21 -2.21 0.00 0.00 174.62 174.62 2wdi n GLU 15 N 1.27 0.85 -2.70 7.08 2.13 -1.16 -2.90 120.64 125.21 2wdi n GLU 15 Ca -0.14 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.67 2wdi n GLU 15 Cb 0.53 -1.30 -0.01 0.00 0.27 0.00 0.00 31.44 30.93 2wdi n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wdi n LYS 17 N 2.19 0.00 -2.88 0.00 4.76 -1.26 -5.03 118.16 115.94 2wdi n LYS 17 Ca -0.10 0.21 -0.07 0.00 -2.87 0.00 0.00 58.31 55.48 2wdi n LYS 17 Cb 0.16 -2.68 0.01 0.00 -1.84 0.00 0.00 35.03 30.68 2wdi n LYS 17 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wdi n ARG 18 N -2.75 0.68 0.00 1.97 0.00 -1.26 -5.16 116.66 110.13 2wdi n ARG 18 Ca 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 57.85 56.31 2wdi n ARG 18 Cb 0.00 1.80 0.00 0.00 -0.00 0.00 0.00 32.46 34.26 2wdi n ARG 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2wdi n ARG 19 N -0.36 0.00 -1.31 2.89 0.00 -1.26 -4.30 116.66 112.33 2wdi n ARG 19 Ca -0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.86 2wdi n ARG 19 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.82 2wdi n ARG 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2wdi n ASN 20 N 0.00 -7.09 -3.76 2.89 4.05 -1.26 -2.98 115.26 107.11 2wdi n ASN 20 Ca 0.00 1.49 -0.10 0.00 0.45 0.00 0.00 54.58 56.42 2wdi n ASN 20 Cb 0.00 -4.26 -0.06 0.00 1.23 0.00 0.00 39.78 36.69 2wdi n ASN 20 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2wdi s TYR 21 N -4.82 -0.01 0.00 1.20 1.51 -1.23 -4.32 117.35 109.67 2wdi s TYR 21 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2wdi s TYR 21 Cb 0.00 0.08 0.00 0.00 -0.11 0.00 0.00 41.96 41.93 2wdi s TYR 21 CO 0.00 -0.61 0.00 0.00 -1.11 0.00 0.00 175.55 173.83 2wdi n ALA 22 N -0.11 1.75 -3.24 3.71 0.00 -1.07 -4.86 120.51 116.70 2wdi n ALA 22 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 2wdi n ALA 22 Cb 0.63 0.21 0.02 0.00 0.00 0.00 0.00 19.45 20.31 2wdi n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wdi n THR 23 N -1.67 -7.27 0.00 0.00 -2.24 -1.26 -4.83 114.28 97.01 2wdi n THR 23 Ca 0.00 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2wdi n THR 23 Cb 0.34 -5.28 0.00 0.00 -2.10 0.00 0.00 70.33 63.29 2wdi n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wdi n GLU 24 N -0.62 0.00 0.00 -0.78 -0.58 0.21 -4.93 120.64 113.93 2wdi n GLU 24 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2wdi n GLU 24 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 2wdi n GLU 24 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2wdi n LYS 25 N 0.00 0.00 0.00 3.49 4.81 -1.24 -4.43 118.16 120.80 2wdi n LYS 25 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdi n LYS 25 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wdi n LYS 25 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wdi n ASN 26 N 0.00 -1.43 -2.23 3.14 3.02 -1.00 -4.91 115.26 111.85 2wdi n ASN 26 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 2wdi n ASN 26 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 2wdi n ASN 26 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wdi n LYS 27 N -1.43 0.95 0.00 3.52 4.76 -1.26 -4.05 118.16 120.66 2wdi n LYS 27 Ca 0.00 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.49 2wdi n LYS 27 Cb 0.00 0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 2wdi n LYS 27 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdi n ARG 28 N -1.09 0.00 -0.00 1.97 1.74 -1.26 -1.39 116.66 116.63 2wdi n ARG 28 Ca -0.16 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2wdi n ARG 28 Cb 0.78 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.22 2wdi n ARG 28 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdi n ASN 29 N -0.57 -0.01 -4.63 0.55 3.02 -1.26 -4.36 115.26 108.01 2wdi n ASN 29 Ca 0.00 0.81 -0.29 0.00 -0.03 0.00 0.00 54.58 55.07 2wdi n ASN 29 Cb 0.00 -0.40 0.14 0.00 -0.61 0.00 0.00 39.78 38.91 2wdi n ASN 29 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wdi s THR 30 N -3.03 1.97 -0.09 3.41 -4.23 -0.48 -4.87 115.64 108.32 2wdi s THR 30 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 2wdi s THR 30 Cb 0.00 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 70.91 2wdi s THR 30 CO 0.01 0.00 0.48 -2.65 -0.54 0.00 0.00 174.62 171.91 2wdi n PRO 31 N -3.70 0.00 0.00 3.99 -0.02 -1.26 -4.82 135.00 129.19 2wdi n PRO 31 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2wdi n PRO 31 Cb 0.60 -0.54 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 2wdi n PRO 31 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wdi n ASN 32 N 0.98 0.00 -1.06 2.55 5.15 -1.26 -4.73 115.26 116.89 2wdi n ASN 32 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2wdi n ASN 32 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2wdi n ASN 32 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wdi n LYS 33 N 0.00 -2.92 -3.35 1.20 4.76 -1.26 -4.88 118.16 111.70 2wdi n LYS 33 Ca 0.00 2.12 -0.26 0.00 -2.87 0.00 0.00 58.31 57.31 2wdi n LYS 33 Cb 0.00 -2.32 0.02 0.00 -1.84 0.00 0.00 35.03 30.90 2wdi n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wdi n LEU 34 N 0.14 -4.17 -4.48 -0.35 4.77 -1.26 -4.92 117.00 106.73 2wdi n LEU 34 Ca 0.00 -0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 2wdi n LEU 34 Cb 0.00 -2.22 -0.07 0.00 -2.33 0.00 0.00 43.42 38.80 2wdi n LEU 34 CO 0.00 -0.64 0.31 -0.70 -1.33 0.00 0.00 177.39 175.03 2wdi s GLU 35 N -2.97 3.18 -0.11 3.23 2.56 -1.26 -5.03 118.70 118.30 2wdi s GLU 35 Ca 0.25 -0.65 -0.01 0.00 0.00 0.00 0.00 54.97 54.56 2wdi s GLU 35 Cb -0.04 -4.01 0.03 0.00 2.00 0.00 0.00 34.13 32.11 2wdi s GLU 35 CO 0.84 -1.06 -0.02 -0.48 -0.56 0.00 0.00 175.26 173.98 2wdi s LEU 36 N 2.62 0.89 -0.16 2.70 2.34 -1.26 -3.11 118.68 122.71 2wdi s LEU 36 Ca 0.18 -0.28 -0.11 0.00 0.06 0.00 0.00 54.13 53.97 2wdi s LEU 36 Cb -0.17 -0.60 0.05 0.00 -0.56 0.00 0.00 46.19 44.92 2wdi s LEU 36 CO 0.15 -0.19 0.40 -0.13 -1.06 0.00 0.00 176.35 175.52 2wdi s ARG 37 N 1.87 0.41 0.26 1.48 0.52 -1.18 -5.04 118.95 117.27 2wdi s ARG 37 Ca 0.04 0.68 -0.28 0.00 -0.52 0.00 0.00 55.73 55.65 2wdi s ARG 37 Cb -0.13 0.08 -0.15 0.00 0.52 0.00 0.00 34.95 35.27 2wdi s ARG 37 CO -0.07 -0.11 0.81 1.17 0.02 0.00 0.00 175.30 177.12 2wdi n LYS 38 N 3.67 0.83 -3.44 3.54 4.81 -1.11 -4.41 118.16 122.05 2wdi n LYS 38 Ca -0.19 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 2wdi n LYS 38 Cb 0.56 -1.53 -0.03 0.00 0.02 0.00 0.00 35.03 34.05 2wdi n LYS 38 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2wdi s TYR 39 N -1.06 -0.56 -0.23 5.64 5.04 -0.82 -4.99 117.35 120.37 2wdi s TYR 39 Ca 0.61 0.47 -0.09 0.00 -2.44 0.00 0.00 57.07 55.62 2wdi s TYR 39 Cb -0.78 0.53 -0.04 0.00 0.35 0.00 0.00 41.96 42.02 2wdi s TYR 39 CO 0.58 -0.80 0.12 0.00 -1.34 0.00 0.00 175.55 174.11 2wdi n PRO 41 N 4.41 0.42 0.00 0.00 -0.04 -1.26 -4.97 135.00 133.56 2wdi n PRO 41 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2wdi n PRO 41 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2wdi n PRO 41 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2wdi n TRP 42 N -1.02 0.00 -3.81 0.54 -0.00 -1.26 -4.87 117.44 107.02 2wdi n TRP 42 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 2wdi n TRP 42 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.15 2wdi n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2wdi n ARG 44 N 4.90 -3.58 -0.86 0.00 5.12 -1.26 -4.95 116.66 116.03 2wdi n ARG 44 Ca -0.10 2.83 -0.35 0.00 -1.93 0.00 0.00 57.85 58.30 2wdi n ARG 44 Cb 0.46 -4.66 0.10 0.00 -1.16 0.00 0.00 32.46 27.20 2wdi n ARG 44 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wdi n LYS 45 N 1.27 -0.53 0.00 5.56 4.76 -1.26 -4.85 118.16 123.11 2wdi n LYS 45 Ca -0.17 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 2wdi n LYS 45 Cb 0.30 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 2wdi n LYS 45 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2wdi n HIS 46 N -3.57 0.00 -3.64 2.13 1.44 -1.26 -5.00 115.22 105.32 2wdi n HIS 46 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2wdi n HIS 46 Cb 0.62 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.73 2wdi n HIS 46 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2wdi n THR 47 N 0.00 0.00 -0.05 0.61 -1.04 0.21 -5.13 114.28 108.87 2wdi n THR 47 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 2wdi n THR 47 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 2wdi n THR 47 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2wdi n VAL 48 N 0.00 1.67 -1.04 12.58 0.24 -1.26 -1.94 118.33 128.58 2wdi n VAL 48 Ca 0.00 -0.56 0.12 0.00 -2.04 0.00 0.00 64.34 61.86 2wdi n VAL 48 Cb 0.00 -1.69 -0.07 0.00 -1.47 0.00 0.00 33.84 30.61 2wdi n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wdi n HIS 49 N -3.55 -2.80 -2.86 6.34 8.25 -1.26 -2.73 115.22 116.61 2wdi n HIS 49 Ca -0.37 1.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.64 2wdi n HIS 49 Cb 0.99 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 29.56 2wdi n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wdi n ARG 50 N -3.62 0.18 0.00 -0.41 5.12 -1.14 -3.87 116.66 112.92 2wdi n ARG 50 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2wdi n ARG 50 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 2wdi n ARG 50 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wdi n GLU 51 N 0.00 0.00 -0.49 5.56 1.02 -1.18 -3.74 120.64 121.82 2wdi n GLU 51 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2wdi n GLU 51 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2wdi n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wdi n VAL 52 N 0.00 -0.38 0.00 2.62 0.31 -1.26 -3.89 118.33 115.72 2wdi n VAL 52 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 2wdi n VAL 52 Cb 0.00 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2wdi n VAL 52 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80