#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ms1 s LEU 10 N 0.00 4.28 0.16 -1.96 2.01 -1.26 -2.61 118.68 119.30 3ms1 s LEU 10 Ca 0.00 1.79 0.09 0.00 0.01 0.00 0.00 54.13 56.02 3ms1 s LEU 10 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.60 3ms1 s LEU 10 CO 0.00 -0.57 -0.10 -0.22 1.01 0.00 0.00 176.35 176.47 3ms1 s LEU 11 N 2.18 2.96 -0.10 1.79 1.98 -1.15 -4.80 118.68 121.54 3ms1 s LEU 11 Ca 0.55 -0.55 -0.04 0.00 -2.89 0.00 0.00 54.13 51.21 3ms1 s LEU 11 Cb -0.24 -1.68 0.05 0.00 0.66 0.00 0.00 46.19 44.98 3ms1 s LEU 11 CO 0.22 0.12 0.18 -1.83 -1.89 0.00 0.00 176.35 173.14 3ms1 s GLU 12 N -2.69 0.06 0.02 1.98 1.03 -1.26 -2.68 118.70 115.16 3ms1 s GLU 12 Ca 0.24 0.56 -0.19 0.00 0.03 0.00 0.00 54.97 55.61 3ms1 s GLU 12 Cb -0.09 -0.31 -0.06 0.00 -0.80 0.00 0.00 34.13 32.87 3ms1 s GLU 12 CO 0.15 -0.33 0.55 0.00 -1.33 0.00 0.00 175.26 174.29 3ms1 s THR 14 N -0.67 3.31 0.16 0.00 -1.32 -0.24 -2.42 115.64 114.46 3ms1 s THR 14 Ca 0.29 -1.28 0.04 0.00 -1.21 0.00 0.00 61.69 59.52 3ms1 s THR 14 Cb -0.18 -3.14 -0.04 0.00 -1.51 0.00 0.00 72.50 67.63 3ms1 s THR 14 CO 0.17 -0.11 0.23 -0.70 -2.21 0.00 0.00 174.62 172.00 3ms1 s GLU 15 N -4.09 3.23 0.12 7.08 2.12 -0.96 -2.47 118.70 123.72 3ms1 s GLU 15 Ca 0.45 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 3ms1 s GLU 15 Cb -0.06 -2.84 -0.06 0.00 0.26 0.00 0.00 34.13 31.43 3ms1 s GLU 15 CO 0.28 0.50 1.05 0.00 -0.54 0.00 0.00 175.26 176.55 3ms1 n LYS 17 N 2.92 -1.40 -2.37 0.00 4.76 -1.26 -4.87 118.16 115.94 3ms1 n LYS 17 Ca 0.04 0.77 -0.05 0.00 -2.87 0.00 0.00 58.31 56.20 3ms1 n LYS 17 Cb 0.48 -5.06 -0.01 0.00 -1.84 0.00 0.00 35.03 28.60 3ms1 n LYS 17 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ms1 n ARG 18 N -2.00 0.23 -3.47 1.97 1.74 -1.24 -5.12 116.66 108.76 3ms1 n ARG 18 Ca -0.14 -0.92 -0.27 0.00 -0.77 0.00 0.00 57.85 55.75 3ms1 n ARG 18 Cb 0.46 0.89 -0.10 0.00 -1.02 0.00 0.00 32.46 32.69 3ms1 n ARG 18 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3ms1 n ARG 19 N -0.19 1.01 -3.85 5.56 1.85 -1.26 -4.50 116.66 115.28 3ms1 n ARG 19 Ca 0.00 -3.70 -0.12 0.00 -1.00 0.00 0.00 57.85 53.03 3ms1 n ARG 19 Cb 0.19 -1.79 -0.13 0.00 -1.05 0.00 0.00 32.46 29.68 3ms1 n ARG 19 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3ms1 s ASN 20 N -0.93 -0.06 0.51 2.89 3.84 -1.26 -5.01 114.94 114.92 3ms1 s ASN 20 Ca 0.32 0.10 0.03 0.00 0.21 0.00 0.00 52.86 53.53 3ms1 s ASN 20 Cb 0.06 0.18 -0.00 0.00 -0.55 0.00 0.00 41.25 40.95 3ms1 s ASN 20 CO -0.15 -0.08 0.16 -0.31 -2.79 0.00 0.00 177.10 173.93 3ms1 s TYR 21 N -0.20 1.88 -0.13 0.43 4.12 -1.26 -2.28 117.35 119.91 3ms1 s TYR 21 Ca -0.03 -0.87 -0.29 0.00 0.02 0.00 0.00 57.07 55.90 3ms1 s TYR 21 Cb -0.02 -1.76 0.08 0.00 -1.52 0.00 0.00 41.96 38.75 3ms1 s TYR 21 CO 0.00 -0.01 0.77 0.00 0.02 0.00 0.00 175.55 176.33 3ms1 s ALA 22 N -2.81 -1.81 0.29 3.71 0.00 -1.02 -4.95 121.76 115.17 3ms1 s ALA 22 Ca 0.20 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.41 3ms1 s ALA 22 Cb 0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 3ms1 s ALA 22 CO 0.12 -0.34 1.30 0.95 0.00 0.00 0.00 175.76 177.78 3ms1 s THR 23 N -0.77 2.91 0.38 0.00 -4.23 -1.26 -2.87 115.64 109.81 3ms1 s THR 23 Ca -0.06 0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 61.15 3ms1 s THR 23 Cb -0.01 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.33 3ms1 s THR 23 CO 0.06 0.18 0.78 -1.61 -0.54 0.00 0.00 174.62 173.49 3ms1 s GLU 24 N -1.24 2.22 -0.31 3.99 0.41 -1.09 -4.88 118.70 117.79 3ms1 s GLU 24 Ca 0.51 -1.42 0.06 0.00 -0.41 0.00 0.00 54.97 53.71 3ms1 s GLU 24 Cb -0.38 0.62 0.19 0.00 -1.78 0.00 0.00 34.13 32.79 3ms1 s GLU 24 CO 0.47 -1.04 0.58 0.21 -0.49 0.00 0.00 175.26 175.00 3ms1 s LYS 25 N -2.38 0.59 0.94 1.61 2.20 -1.26 -2.95 119.74 118.49 3ms1 s LYS 25 Ca 0.15 0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 56.00 3ms1 s LYS 25 Cb -0.05 0.18 0.20 0.00 -1.51 0.00 0.00 37.83 36.65 3ms1 s LYS 25 CO 0.11 -1.07 1.29 1.21 -0.36 0.00 0.00 175.35 176.53 3ms1 s ASN 26 N 2.64 3.16 -0.04 1.43 2.47 -1.07 -4.87 114.94 118.65 3ms1 s ASN 26 Ca 0.11 0.13 0.05 0.00 0.42 0.00 0.00 52.86 53.57 3ms1 s ASN 26 Cb -0.09 -0.17 -0.02 0.00 -1.45 0.00 0.00 41.25 39.51 3ms1 s ASN 26 CO -0.23 -2.69 -0.17 -0.54 -3.72 0.00 0.00 177.10 169.75 3ms1 s LYS 27 N -5.82 2.41 0.00 0.43 -0.14 -1.26 -3.60 119.74 111.76 3ms1 s LYS 27 Ca 0.74 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 3ms1 s LYS 27 Cb -0.03 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 3ms1 s LYS 27 CO 0.52 0.61 0.00 -2.13 -0.76 0.00 0.00 175.35 173.59 3ms1 n ARG 28 N 2.35 0.00 0.07 1.68 3.00 -1.26 -4.50 116.66 118.00 3ms1 n ARG 28 Ca -0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.58 3ms1 n ARG 28 Cb 0.52 -0.32 -0.12 0.00 0.00 0.00 0.00 32.46 32.54 3ms1 n ARG 28 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 3ms1 h ASN 29 N 0.00 0.14 -2.56 6.15 -0.00 -1.99 -3.45 115.58 113.88 3ms1 h ASN 29 Ca 0.00 -0.15 -0.60 0.00 -0.00 0.00 0.00 56.30 55.55 3ms1 h ASN 29 Cb 0.00 -0.05 0.11 0.00 -0.00 0.00 0.00 38.32 38.38 3ms1 h ASN 29 CO 0.00 1.11 0.21 0.41 -0.00 0.00 0.00 177.43 179.16 3ms1 n THR 30 N -3.41 1.89 -1.45 -3.57 -1.04 -1.26 -4.60 114.28 100.83 3ms1 n THR 30 Ca -0.03 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.05 61.34 3ms1 n THR 30 Cb 0.96 -1.08 -0.16 0.00 -1.82 0.00 0.00 70.33 68.23 3ms1 n THR 30 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ms1 n PRO 31 N 0.81 0.13 -2.95 -2.82 -0.02 -1.26 -4.67 135.00 124.22 3ms1 n PRO 31 Ca 0.09 -0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.34 3ms1 n PRO 31 Cb 0.32 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3ms1 n PRO 31 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ms1 s ASN 32 N 2.88 -0.06 -0.24 2.55 0.01 -1.26 -5.03 114.94 113.80 3ms1 s ASN 32 Ca 1.04 -0.01 -0.15 0.00 -0.71 0.00 0.00 52.86 53.03 3ms1 s ASN 32 Cb -0.54 0.63 -0.09 0.00 0.41 0.00 0.00 41.25 41.66 3ms1 s ASN 32 CO 0.37 -0.01 -0.35 0.29 -1.51 0.00 0.00 177.10 175.89 3ms1 n LYS 33 N 4.39 0.56 -3.71 -0.60 4.76 -1.26 -4.43 118.16 117.88 3ms1 n LYS 33 Ca 0.08 0.24 -0.22 0.00 -2.87 0.00 0.00 58.31 55.53 3ms1 n LYS 33 Cb 0.61 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 3ms1 n LYS 33 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 3ms1 s LEU 34 N -7.66 3.23 -0.30 -0.35 -0.00 -1.26 -5.05 118.68 107.28 3ms1 s LEU 34 Ca -0.34 -0.89 -0.03 0.00 -0.00 0.00 0.00 54.13 52.87 3ms1 s LEU 34 Cb 0.10 -1.80 0.11 0.00 -0.00 0.00 0.00 46.19 44.60 3ms1 s LEU 34 CO 0.46 -0.72 0.15 -0.70 -0.00 0.00 0.00 176.35 175.55 3ms1 s GLU 35 N -4.12 0.27 -0.42 1.48 2.56 -1.26 -5.00 118.70 112.21 3ms1 s GLU 35 Ca 0.45 -0.69 0.05 0.00 0.00 0.00 0.00 54.97 54.78 3ms1 s GLU 35 Cb -0.02 -1.17 0.56 0.00 2.00 0.00 0.00 34.13 35.50 3ms1 s GLU 35 CO 0.26 -1.06 1.72 1.47 -0.56 0.00 0.00 175.26 177.09 3ms1 n LEU 36 N 4.99 5.82 -4.75 2.70 -0.00 -1.26 -2.32 117.00 122.18 3ms1 n LEU 36 Ca -0.02 -3.88 -0.40 0.00 -0.00 0.00 0.00 56.01 51.71 3ms1 n LEU 36 Cb 0.41 -0.75 -0.05 0.00 -0.00 0.00 0.00 43.42 43.03 3ms1 n LEU 36 CO 0.06 1.29 0.71 -0.13 -0.00 0.00 0.00 177.39 179.32 3ms1 s ARG 37 N -3.40 4.76 0.87 1.47 3.00 -1.22 -4.73 118.95 119.70 3ms1 s ARG 37 Ca 0.53 1.62 -0.11 0.00 0.00 0.00 0.00 55.73 57.77 3ms1 s ARG 37 Cb 0.45 -3.25 0.11 0.00 0.00 0.00 0.00 34.95 32.27 3ms1 s ARG 37 CO 0.04 0.37 1.09 0.21 0.00 0.00 0.00 175.30 177.01 3ms1 s LYS 38 N -1.19 1.47 0.30 3.54 2.20 -1.26 -2.49 119.74 122.31 3ms1 s LYS 38 Ca 0.43 1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 56.90 3ms1 s LYS 38 Cb -0.28 -1.82 0.06 0.00 -1.51 0.00 0.00 37.83 34.28 3ms1 s LYS 38 CO 0.35 -2.14 0.77 0.98 -0.36 0.00 0.00 175.35 174.96 3ms1 n TYR 39 N -3.84 -1.97 -3.86 4.03 9.36 -1.15 -4.76 117.16 114.98 3ms1 n TYR 39 Ca 0.08 -1.52 -0.30 0.00 3.32 0.00 0.00 57.90 59.48 3ms1 n TYR 39 Cb 0.54 0.76 -0.16 0.00 -0.63 0.00 0.00 39.34 39.85 3ms1 n TYR 39 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ms1 n PRO 41 N 4.74 -1.93 -0.05 0.00 -0.02 -1.26 -4.89 135.00 131.59 3ms1 n PRO 41 Ca -0.07 -1.80 -0.20 0.00 -2.02 0.00 0.00 63.50 59.41 3ms1 n PRO 41 Cb 0.44 -1.38 -0.13 0.00 -0.02 0.00 0.00 33.50 32.42 3ms1 n PRO 41 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3ms1 h TRP 42 N -2.09 0.17 -3.28 6.00 -0.00 -2.01 -3.44 115.95 111.30 3ms1 h TRP 42 Ca -0.39 -0.12 -0.53 0.00 -0.00 0.00 0.00 58.89 57.85 3ms1 h TRP 42 Cb 1.13 -0.01 0.03 0.00 -0.00 0.00 0.00 29.16 30.31 3ms1 h TRP 42 CO 0.00 1.40 0.67 0.00 -0.00 0.00 0.00 178.44 180.50 3ms1 n ARG 44 N 3.02 0.00 -3.71 0.00 3.00 -1.26 -4.82 116.66 112.90 3ms1 n ARG 44 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.81 3ms1 n ARG 44 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.78 3ms1 n ARG 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3ms1 s LYS 45 N 0.00 0.37 0.01 5.56 -0.14 -1.26 -4.83 119.74 119.45 3ms1 s LYS 45 Ca 0.00 0.71 -0.00 0.00 -1.36 0.00 0.00 55.97 55.32 3ms1 s LYS 45 Cb 0.00 -0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.14 3ms1 s LYS 45 CO 0.00 -0.15 0.01 0.72 -0.76 0.00 0.00 175.35 175.17 3ms1 n HIS 46 N 4.09 -4.83 -3.74 3.18 8.25 -1.26 -4.98 115.22 115.93 3ms1 n HIS 46 Ca -0.22 2.87 -0.14 0.00 -0.26 0.00 0.00 57.72 59.97 3ms1 n HIS 46 Cb 0.55 -3.84 -0.09 0.00 1.12 0.00 0.00 29.99 27.73 3ms1 n HIS 46 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ms1 s THR 47 N -0.60 0.04 0.41 1.59 -4.23 -0.75 -4.99 115.64 107.11 3ms1 s THR 47 Ca -0.01 -0.32 -0.26 0.00 -1.18 0.00 0.00 61.69 59.92 3ms1 s THR 47 Cb 0.00 -0.62 -0.10 0.00 1.34 0.00 0.00 72.50 73.12 3ms1 s THR 47 CO 0.03 -0.17 1.39 1.33 -0.54 0.00 0.00 174.62 176.66 3ms1 n VAL 48 N 1.67 2.42 -4.40 2.29 0.24 -1.26 -2.92 118.33 116.37 3ms1 n VAL 48 Ca -0.19 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.29 3ms1 n VAL 48 Cb 0.56 -1.78 -0.16 0.00 -1.47 0.00 0.00 33.84 30.99 3ms1 n VAL 48 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3ms1 s HIS 49 N -1.16 2.60 0.52 6.34 3.76 -1.04 -3.63 115.29 122.67 3ms1 s HIS 49 Ca 0.58 -1.41 -0.01 0.00 -0.15 0.00 0.00 55.06 54.08 3ms1 s HIS 49 Cb -0.48 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.42 3ms1 s HIS 49 CO 0.60 -0.68 0.76 1.03 -0.85 0.00 0.00 174.74 175.60 3ms1 s ARG 50 N 1.06 2.83 0.00 1.40 1.81 -1.03 -3.40 118.95 121.61 3ms1 s ARG 50 Ca -0.02 -0.49 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 3ms1 s ARG 50 Cb -0.14 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.89 3ms1 s ARG 50 CO -0.07 -0.53 0.25 -1.91 -0.68 0.00 0.00 175.30 172.36 3ms1 n GLU 51 N -2.29 0.00 -0.27 3.54 2.13 -0.98 -1.08 120.64 121.70 3ms1 n GLU 51 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3ms1 n GLU 51 Cb 0.58 -0.70 0.00 0.00 0.27 0.00 0.00 31.44 31.59 3ms1 n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00