#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s LEU 10 N 0.00 4.42 0.07 -1.96 1.02 -1.26 -2.79 118.68 118.17 2x9s s LEU 10 Ca 0.00 0.68 -0.14 0.00 0.02 0.00 0.00 54.13 54.69 2x9s s LEU 10 Cb 0.00 -2.31 0.02 0.00 0.02 0.00 0.00 46.19 43.93 2x9s s LEU 10 CO 0.00 0.35 0.33 -1.48 0.02 0.00 0.00 176.35 175.57 2x9s s LEU 11 N -0.94 0.75 0.23 1.79 -0.00 -0.89 -4.84 118.68 114.78 2x9s s LEU 11 Ca 0.19 -0.25 0.07 0.00 -0.00 0.00 0.00 54.13 54.14 2x9s s LEU 11 Cb -0.14 1.50 -0.04 0.00 -0.00 0.00 0.00 46.19 47.51 2x9s s LEU 11 CO 0.08 -0.70 0.11 -1.61 -0.00 0.00 0.00 176.35 174.23 2x9s s GLU 12 N -3.03 2.69 -0.16 1.48 8.01 -1.25 0.92 118.70 127.36 2x9s s GLU 12 Ca -0.02 -1.12 0.01 0.00 0.01 0.00 0.00 54.97 53.85 2x9s s GLU 12 Cb 0.01 -2.45 0.03 0.00 -4.31 0.00 0.00 34.13 27.41 2x9s s GLU 12 CO -0.06 0.41 -0.14 0.00 0.01 0.00 0.00 175.26 175.48 2x9s s THR 14 N 1.45 5.41 -0.52 0.00 -1.32 -1.26 -2.43 115.64 116.97 2x9s s THR 14 Ca 0.04 -0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.33 2x9s s THR 14 Cb -0.13 -3.52 -0.04 0.00 -1.51 0.00 0.00 72.50 67.30 2x9s s THR 14 CO -0.10 0.34 1.67 1.21 -2.21 0.00 0.00 174.62 175.52 2x9s n GLU 15 N 0.99 1.23 -0.24 7.08 2.13 -1.09 -1.83 120.64 128.92 2x9s n GLU 15 Ca -0.11 -1.03 0.00 0.00 0.66 0.00 0.00 57.16 56.67 2x9s n GLU 15 Cb 0.53 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2x9s n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2x9s n LYS 17 N 0.35 0.00 -1.20 0.00 5.02 -1.26 -4.81 118.16 116.25 2x9s n LYS 17 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2x9s n LYS 17 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2x9s n LYS 17 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2x9s n ARG 18 N -0.11 0.00 0.00 1.97 1.85 -1.25 -5.14 116.66 113.99 2x9s n ARG 18 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2x9s n ARG 18 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2x9s n ARG 18 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2x9s n ARG 19 N 0.00 0.00 0.00 2.89 1.85 -1.26 -4.52 116.66 115.62 2x9s n ARG 19 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2x9s n ARG 19 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2x9s n ARG 19 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2x9s n ASN 20 N 0.00 0.00 -3.74 2.89 2.85 -1.26 -4.12 115.26 111.88 2x9s n ASN 20 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 2x9s n ASN 20 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 2x9s n ASN 20 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2x9s s TYR 21 N 0.00 1.57 0.00 1.20 1.51 -1.25 -2.66 117.35 117.71 2x9s s TYR 21 Ca 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 57.07 54.54 2x9s s TYR 21 Cb 0.00 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.13 2x9s s TYR 21 CO 0.00 -0.72 0.00 0.00 -1.11 0.00 0.00 175.55 173.72 2x9s n ALA 22 N -0.53 0.35 -1.77 3.71 0.00 -1.02 -4.92 120.51 116.33 2x9s n ALA 22 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2x9s n ALA 22 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2x9s n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x9s n THR 23 N -0.27 -3.57 -1.55 0.00 -2.24 -1.26 -4.85 114.28 100.55 2x9s n THR 23 Ca 0.00 0.89 0.00 0.00 -2.27 0.00 0.00 64.05 62.67 2x9s n THR 23 Cb 0.00 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 66.19 2x9s n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x9s n GLU 24 N 1.71 0.77 -3.70 -0.78 -0.58 0.26 -4.94 120.64 113.39 2x9s n GLU 24 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2x9s n GLU 24 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 2x9s n GLU 24 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2x9s s LYS 25 N 2.68 0.30 0.52 3.49 2.20 -1.26 -2.08 119.74 125.59 2x9s s LYS 25 Ca 0.00 0.73 0.01 0.00 -0.36 0.00 0.00 55.97 56.34 2x9s s LYS 25 Cb 0.00 -0.02 -0.00 0.00 -1.51 0.00 0.00 37.83 36.30 2x9s s LYS 25 CO 0.00 -0.18 0.01 0.54 -0.36 0.00 0.00 175.35 175.36 2x9s s ASN 26 N 1.57 4.17 -0.19 1.43 4.22 -1.12 -5.03 114.94 120.00 2x9s s ASN 26 Ca -0.08 -1.68 0.13 0.00 -2.14 0.00 0.00 52.86 49.09 2x9s s ASN 26 Cb -0.10 0.63 0.43 0.00 1.28 0.00 0.00 41.25 43.49 2x9s s ASN 26 CO -0.11 -0.91 1.20 0.29 -2.04 0.00 0.00 177.10 175.54 2x9s n LYS 27 N -1.31 1.68 0.00 3.55 4.76 -1.26 -3.27 118.16 122.31 2x9s n LYS 27 Ca -0.20 -3.26 0.00 0.00 -2.87 0.00 0.00 58.31 51.98 2x9s n LYS 27 Cb 0.67 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2x9s n LYS 27 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2x9s n ARG 28 N -0.81 0.00 0.00 1.97 1.74 -1.26 -2.30 116.66 116.00 2x9s n ARG 28 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2x9s n ARG 28 Cb 0.80 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.24 2x9s n ARG 28 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2x9s n ASN 29 N 0.20 0.00 -3.71 0.55 2.85 -1.26 -3.54 115.26 110.34 2x9s n ASN 29 Ca 0.00 0.48 -0.27 0.00 -0.11 0.00 0.00 54.58 54.67 2x9s n ASN 29 Cb 0.00 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.26 2x9s n ASN 29 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2x9s n THR 30 N -0.90 0.00 -0.25 -0.44 -2.24 -0.97 -4.33 114.28 105.15 2x9s n THR 30 Ca 0.00 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 2x9s n THR 30 Cb 0.00 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.39 2x9s n THR 30 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2x9s n PRO 31 N -4.23 0.00 -3.64 -0.78 -0.02 -1.26 -4.70 135.00 120.36 2x9s n PRO 31 Ca 0.08 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 2x9s n PRO 31 Cb 0.53 -0.22 -0.07 0.00 -0.02 0.00 0.00 33.50 33.72 2x9s n PRO 31 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2x9s s ASN 32 N 0.00 -0.24 0.00 2.55 2.47 -1.23 -4.54 114.94 113.95 2x9s s ASN 32 Ca 0.08 0.46 0.00 0.00 0.42 0.00 0.00 52.86 53.82 2x9s s ASN 32 Cb -0.05 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 2x9s s ASN 32 CO 0.03 -0.08 0.00 0.29 -3.72 0.00 0.00 177.10 173.62 2x9s n LYS 33 N 1.88 0.00 -1.07 0.43 4.76 -1.26 -4.65 118.16 118.25 2x9s n LYS 33 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 2x9s n LYS 33 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 2x9s n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2x9s n LEU 34 N 0.00 -1.42 -4.72 -0.35 4.77 -1.26 -5.04 117.00 108.98 2x9s n LEU 34 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2x9s n LEU 34 Cb 0.00 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2x9s n LEU 34 CO 0.00 0.00 1.24 -0.70 -1.33 0.00 0.00 177.39 176.60 2x9s s GLU 35 N -2.71 4.20 -0.28 3.23 2.56 -1.26 -5.03 118.70 119.41 2x9s s GLU 35 Ca 0.00 2.40 -0.01 0.00 0.00 0.00 0.00 54.97 57.37 2x9s s GLU 35 Cb 0.00 -3.13 0.17 0.00 2.00 0.00 0.00 34.13 33.16 2x9s s GLU 35 CO 0.00 -0.62 0.50 -0.48 -0.56 0.00 0.00 175.26 174.10 2x9s s LEU 36 N 0.97 -1.08 0.08 2.70 2.34 -1.26 -4.24 118.68 118.20 2x9s s LEU 36 Ca 0.70 0.43 0.07 0.00 0.06 0.00 0.00 54.13 55.39 2x9s s LEU 36 Cb -0.45 1.66 -0.03 0.00 -0.56 0.00 0.00 46.19 46.81 2x9s s LEU 36 CO 0.33 -0.29 -0.18 -0.60 -1.06 0.00 0.00 176.35 174.55 2x9s s ARG 37 N 2.71 1.03 -0.07 1.48 6.06 -0.94 -5.00 118.95 124.22 2x9s s ARG 37 Ca 0.16 -1.04 -0.30 0.00 -2.50 0.00 0.00 55.73 52.05 2x9s s ARG 37 Cb -0.14 -1.17 -0.04 0.00 0.06 0.00 0.00 34.95 33.65 2x9s s ARG 37 CO -0.21 0.27 1.37 0.21 -2.50 0.00 0.00 175.30 174.45 2x9s s LYS 38 N -1.73 4.26 0.26 5.12 2.20 -1.24 -3.48 119.74 125.13 2x9s s LYS 38 Ca 0.03 1.86 0.01 0.00 -0.36 0.00 0.00 55.97 57.51 2x9s s LYS 38 Cb -0.10 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 2x9s s LYS 38 CO 0.03 -0.64 0.24 -0.47 -0.36 0.00 0.00 175.35 174.15 2x9s s TYR 39 N 2.99 1.28 -0.14 4.03 5.04 -1.13 -5.01 117.35 124.40 2x9s s TYR 39 Ca 0.61 -1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 53.81 2x9s s TYR 39 Cb -0.28 -0.50 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 2x9s s TYR 39 CO 0.23 -0.79 -0.07 0.00 -1.34 0.00 0.00 175.55 173.58 2x9s s PRO 41 N 0.29 2.61 0.32 0.00 0.04 -1.26 -4.99 135.00 132.02 2x9s s PRO 41 Ca -0.06 -1.32 0.24 0.00 0.04 0.00 0.00 61.00 59.90 2x9s s PRO 41 Cb -0.15 -2.37 0.42 0.00 0.04 0.00 0.00 34.50 32.45 2x9s s PRO 41 CO 0.04 0.22 1.56 2.35 0.04 0.00 0.00 177.00 181.21 2x9s h TRP 42 N 1.49 0.00 -0.25 0.56 -0.00 -1.99 -3.33 115.95 112.44 2x9s h TRP 42 Ca -0.45 0.00 -0.62 0.00 -0.00 0.00 0.00 58.89 57.82 2x9s h TRP 42 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.39 2x9s h TRP 42 CO 0.59 0.00 2.32 0.00 -0.00 0.00 0.00 178.44 181.34 2x9s n ARG 44 N 7.23 -4.42 -0.88 0.00 3.00 -1.26 -4.93 116.66 115.40 2x9s n ARG 44 Ca 0.49 3.33 -0.31 0.00 -0.00 0.00 0.00 57.85 61.36 2x9s n ARG 44 Cb 0.42 -4.67 0.03 0.00 0.00 0.00 0.00 32.46 28.25 2x9s n ARG 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2x9s n LYS 45 N 1.61 0.00 -3.26 -0.14 4.76 -1.25 -4.72 118.16 115.16 2x9s n LYS 45 Ca -0.29 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 54.95 2x9s n LYS 45 Cb 0.45 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.79 2x9s n LYS 45 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2x9s n HIS 46 N -2.07 -0.90 -0.24 2.13 1.44 -1.26 -4.93 115.22 109.39 2x9s n HIS 46 Ca -0.01 -1.80 0.00 0.00 -2.01 0.00 0.00 57.72 53.90 2x9s n HIS 46 Cb 0.47 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 30.23 2x9s n HIS 46 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2x9s n THR 47 N -1.54 -0.17 0.65 0.61 -2.24 -1.26 -5.10 114.28 105.23 2x9s n THR 47 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 2x9s n THR 47 Cb 0.49 -0.56 0.05 0.00 -2.10 0.00 0.00 70.33 68.21 2x9s n THR 47 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2x9s n VAL 48 N -0.15 0.00 -1.59 2.28 0.24 -1.26 -2.83 118.33 115.01 2x9s n VAL 48 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2x9s n VAL 48 Cb 0.07 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2x9s n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2x9s n HIS 49 N 0.62 -1.00 0.00 6.34 8.25 -1.22 -2.22 115.22 125.99 2x9s n HIS 49 Ca 0.08 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 58.08 2x9s n HIS 49 Cb 0.37 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.33 2x9s n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2x9s n ARG 50 N 0.66 0.00 0.00 -0.41 5.12 -0.76 -2.74 116.66 118.52 2x9s n ARG 50 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2x9s n ARG 50 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2x9s n ARG 50 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2x9s n GLU 51 N 0.00 -0.80 -2.46 5.56 0.28 -1.25 -4.43 120.64 117.53 2x9s n GLU 51 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 2x9s n GLU 51 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 2x9s n GLU 51 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2x9s n VAL 52 N -0.43 0.00 0.00 3.84 0.31 -0.81 -4.81 118.33 116.43 2x9s n VAL 52 Ca 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2x9s n VAL 52 Cb 0.00 0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 2x9s n VAL 52 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80