#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s LEU 10 N 0.00 3.85 0.22 -1.96 1.02 -1.26 -2.81 118.68 117.74 3i8i s LEU 10 Ca 0.00 -0.46 0.08 0.00 0.02 0.00 0.00 54.13 53.78 3i8i s LEU 10 Cb 0.00 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 3i8i s LEU 10 CO 0.00 -1.46 0.00 -0.76 0.02 0.00 0.00 176.35 174.15 3i8i s LEU 11 N 4.55 3.26 0.02 1.79 2.01 -1.26 -4.97 118.68 124.08 3i8i s LEU 11 Ca 0.31 -0.51 0.05 0.00 0.01 0.00 0.00 54.13 53.99 3i8i s LEU 11 Cb -0.12 -1.85 -0.02 0.00 0.01 0.00 0.00 46.19 44.21 3i8i s LEU 11 CO 0.17 0.04 -0.15 -1.83 1.01 0.00 0.00 176.35 175.59 3i8i s GLU 12 N -3.33 1.08 0.80 1.70 1.03 -1.26 -0.50 118.70 118.22 3i8i s GLU 12 Ca 0.29 -0.69 -0.05 0.00 0.03 0.00 0.00 54.97 54.56 3i8i s GLU 12 Cb -0.08 -1.08 0.17 0.00 -0.80 0.00 0.00 34.13 32.34 3i8i s GLU 12 CO 0.19 0.28 1.09 0.00 -1.33 0.00 0.00 175.26 175.49 3i8i s THR 14 N -3.32 -0.09 0.00 0.00 -1.32 0.88 0.75 115.64 112.54 3i8i s THR 14 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 3i8i s THR 14 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3i8i s THR 14 CO 0.46 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 174.08 3i8i n GLU 15 N 3.90 0.39 -0.02 7.08 2.13 -1.26 0.10 120.64 132.96 3i8i n GLU 15 Ca -0.17 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.65 3i8i n GLU 15 Cb 0.57 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.22 3i8i n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i8i n LYS 17 N -2.05 -0.84 -0.60 0.00 2.85 -1.26 -4.90 118.16 111.35 3i8i n LYS 17 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 3i8i n LYS 17 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 3i8i n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3i8i n ARG 18 N 0.00 0.00 -0.49 -1.58 5.12 -1.26 -4.71 116.66 113.73 3i8i n ARG 18 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i8i n ARG 18 Cb 0.00 -2.80 0.00 0.00 -1.16 0.00 0.00 32.46 28.50 3i8i n ARG 18 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i8i n ARG 19 N -2.00 0.00 0.00 5.56 3.00 -1.26 -5.06 116.66 116.90 3i8i n ARG 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i8i n ARG 19 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 32.21 3i8i n ARG 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3i8i n ASN 20 N -0.52 0.00 0.00 6.15 6.94 -1.26 -5.08 115.26 121.49 3i8i n ASN 20 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i8i n ASN 20 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3i8i n ASN 20 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3i8i n TYR 21 N -0.79 0.00 -2.78 -2.53 0.53 -1.24 -5.04 117.16 105.30 3i8i n TYR 21 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.45 3i8i n TYR 21 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.30 3i8i n TYR 21 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i8i s ALA 22 N 0.00 3.44 0.64 -0.72 0.00 0.23 -4.65 121.76 120.70 3i8i s ALA 22 Ca 0.00 -2.90 -0.17 0.00 0.00 0.00 0.00 51.96 48.88 3i8i s ALA 22 Cb 0.00 -4.30 -0.12 0.00 0.00 0.00 0.00 23.12 18.69 3i8i s ALA 22 CO 0.00 -3.11 -0.06 0.25 0.00 0.00 0.00 175.76 172.84 3i8i n THR 23 N 5.68 0.55 0.00 0.00 -2.24 -1.26 -0.90 114.28 116.11 3i8i n THR 23 Ca 0.36 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3i8i n THR 23 Cb 0.47 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3i8i n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i8i n GLU 24 N 1.12 0.00 -3.15 -0.78 -0.58 0.35 -4.60 120.64 113.00 3i8i n GLU 24 Ca 0.07 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.87 3i8i n GLU 24 Cb 0.49 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.35 3i8i n GLU 24 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3i8i s LYS 25 N 4.17 0.07 0.70 3.49 2.20 -1.23 -4.31 119.74 124.82 3i8i s LYS 25 Ca 0.00 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 3i8i s LYS 25 Cb 0.00 0.06 0.12 0.00 -1.51 0.00 0.00 37.83 36.50 3i8i s LYS 25 CO 0.00 -0.08 0.96 1.21 -0.36 0.00 0.00 175.35 177.08 3i8i s ASN 26 N 2.98 4.46 -0.07 1.43 2.47 -1.12 -4.92 114.94 120.17 3i8i s ASN 26 Ca -0.02 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 52.84 3i8i s ASN 26 Cb -0.07 0.05 0.08 0.00 -1.45 0.00 0.00 41.25 39.85 3i8i s ASN 26 CO -0.10 -1.78 0.81 0.29 -3.72 0.00 0.00 177.10 172.60 3i8i n LYS 27 N -2.74 0.26 -4.02 0.43 5.02 -1.26 -3.65 118.16 112.21 3i8i n LYS 27 Ca 0.15 -0.70 -0.10 0.00 -2.02 0.00 0.00 58.31 55.64 3i8i n LYS 27 Cb 0.61 0.44 -0.07 0.00 -0.02 0.00 0.00 35.03 35.98 3i8i n LYS 27 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i8i s ARG 28 N 0.02 1.19 -0.02 1.97 1.81 -1.26 -4.91 118.95 117.75 3i8i s ARG 28 Ca 0.02 -1.27 0.20 0.00 -1.72 0.00 0.00 55.73 52.95 3i8i s ARG 28 Cb 0.09 0.36 0.59 0.00 -0.45 0.00 0.00 34.95 35.54 3i8i s ARG 28 CO -0.02 -0.43 1.50 0.27 -0.68 0.00 0.00 175.30 175.93 3i8i n ASN 29 N -0.23 3.87 0.00 0.23 0.23 -1.26 -4.47 115.26 113.63 3i8i n ASN 29 Ca -0.05 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.93 3i8i n ASN 29 Cb 0.63 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3i8i n ASN 29 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3i8i n THR 30 N 1.33 0.00 -0.30 5.53 5.66 -1.26 -4.80 114.28 120.44 3i8i n THR 30 Ca 0.22 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.20 3i8i n THR 30 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 3i8i n THR 30 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3i8i n PRO 31 N 0.00 0.00 0.00 1.09 -0.02 -1.26 -5.11 135.00 129.70 3i8i n PRO 31 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i8i n PRO 31 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 3i8i n PRO 31 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i8i n ASN 32 N 1.16 0.00 -3.26 2.55 0.23 -1.26 -4.70 115.26 109.98 3i8i n ASN 32 Ca -0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.91 3i8i n ASN 32 Cb 0.05 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 37.88 3i8i n ASN 32 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3i8i n LYS 33 N 0.00 -2.13 -0.11 -3.83 3.00 -1.26 -4.48 118.16 109.36 3i8i n LYS 33 Ca 0.00 -0.68 -0.02 0.00 -0.00 0.00 0.00 58.31 57.61 3i8i n LYS 33 Cb 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 35.03 33.92 3i8i n LYS 33 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3i8i n LEU 34 N 0.00 0.59 0.00 3.14 -0.00 -1.26 -4.76 117.00 114.71 3i8i n LEU 34 Ca 0.06 -0.85 0.00 0.00 -0.00 0.00 0.00 56.01 55.22 3i8i n LEU 34 Cb 0.28 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 3i8i n LEU 34 CO 0.18 -0.36 0.00 -0.62 -0.00 0.00 0.00 177.39 176.60 3i8i n GLU 35 N 3.20 0.00 -3.95 1.47 1.02 -1.26 -4.67 120.64 116.45 3i8i n GLU 35 Ca 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 3i8i n GLU 35 Cb 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.41 3i8i n GLU 35 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i8i s LEU 36 N 0.00 1.96 0.18 -4.62 0.20 -1.26 -1.86 118.68 113.28 3i8i s LEU 36 Ca 0.00 -0.51 -0.10 0.00 0.69 0.00 0.00 54.13 54.21 3i8i s LEU 36 Cb 0.00 0.42 -0.01 0.00 -0.43 0.00 0.00 46.19 46.18 3i8i s LEU 36 CO 0.00 -0.43 0.32 -0.60 -0.29 0.00 0.00 176.35 175.35 3i8i s ARG 37 N -2.16 1.21 -0.45 1.98 6.06 -1.20 -5.04 118.95 119.35 3i8i s ARG 37 Ca -0.09 -1.18 -0.12 0.00 -2.50 0.00 0.00 55.73 51.84 3i8i s ARG 37 Cb -0.04 0.39 0.08 0.00 0.06 0.00 0.00 34.95 35.44 3i8i s ARG 37 CO -0.03 -0.46 0.34 -1.59 -2.50 0.00 0.00 175.30 171.06 3i8i s LYS 38 N -3.97 2.79 0.14 5.12 -2.85 -1.19 -3.90 119.74 115.88 3i8i s LYS 38 Ca 0.18 -1.44 0.02 0.00 -1.00 0.00 0.00 55.97 53.73 3i8i s LYS 38 Cb 0.03 -3.97 0.02 0.00 -2.06 0.00 0.00 37.83 31.85 3i8i s LYS 38 CO 0.01 -1.02 0.17 0.66 0.10 0.00 0.00 175.35 175.27 3i8i n TYR 39 N 5.06 -2.30 -3.72 1.78 4.02 0.43 -4.86 117.16 117.57 3i8i n TYR 39 Ca -0.11 -0.54 -0.38 0.00 -0.01 0.00 0.00 57.90 56.86 3i8i n TYR 39 Cb 0.43 -0.13 -0.12 0.00 -0.02 0.00 0.00 39.34 39.50 3i8i n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i8i s PRO 41 N 1.54 4.11 -1.08 0.00 0.04 -1.26 -4.70 135.00 133.66 3i8i s PRO 41 Ca 0.03 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 3i8i s PRO 41 Cb -0.17 -3.84 0.07 0.00 0.04 0.00 0.00 34.50 30.60 3i8i s PRO 41 CO 0.04 -0.87 1.47 -1.58 0.04 0.00 0.00 177.00 176.10 3i8i s TRP 42 N 3.91 2.71 0.00 0.56 0.51 -1.26 -0.71 118.94 124.66 3i8i s TRP 42 Ca 0.58 -1.15 0.00 0.00 -2.12 0.00 0.00 56.10 53.41 3i8i s TRP 42 Cb -0.22 -4.64 0.00 0.00 -0.81 0.00 0.00 33.47 27.80 3i8i s TRP 42 CO 0.19 -1.83 0.00 0.00 -0.51 0.00 0.00 176.95 174.81 3i8i n ARG 44 N 0.00 0.00 0.00 0.00 0.00 -1.14 -5.17 116.66 110.35 3i8i n ARG 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i8i n ARG 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3i8i n ARG 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i8i n LYS 45 N 0.00 0.00 -2.51 2.89 4.76 0.12 -5.01 118.16 118.40 3i8i n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i8i n LYS 45 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i8i n LYS 45 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3i8i n HIS 46 N -0.41 0.00 0.00 2.13 8.25 -1.26 -4.64 115.22 119.29 3i8i n HIS 46 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i8i n HIS 46 Cb 0.00 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.23 3i8i n HIS 46 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i8i n THR 47 N 2.27 0.00 0.00 1.59 -1.04 0.14 -4.83 114.28 112.41 3i8i n THR 47 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i8i n THR 47 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i8i n THR 47 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i8i n VAL 48 N 0.00 0.00 -0.69 12.58 0.31 -1.24 -4.33 118.33 124.96 3i8i n VAL 48 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8i n VAL 48 Cb 0.00 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3i8i n VAL 48 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3i8i n HIS 49 N -1.88 0.00 -4.48 3.52 8.25 -1.24 0.16 115.22 119.56 3i8i n HIS 49 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 3i8i n HIS 49 Cb 0.00 -1.86 -0.10 0.00 1.12 0.00 0.00 29.99 29.15 3i8i n HIS 49 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3i8i s ARG 50 N -2.49 1.69 0.07 -0.41 0.52 0.29 -3.26 118.95 115.35 3i8i s ARG 50 Ca 0.00 -1.79 -0.31 0.00 -0.52 0.00 0.00 55.73 53.11 3i8i s ARG 50 Cb 0.00 -1.73 -0.08 0.00 0.52 0.00 0.00 34.95 33.67 3i8i s ARG 50 CO 0.00 0.29 1.53 -2.00 0.02 0.00 0.00 175.30 175.14 3i8i s GLU 51 N -3.53 4.24 0.43 3.54 2.12 -0.77 -0.08 118.70 124.64 3i8i s GLU 51 Ca 0.30 2.19 0.01 0.00 0.36 0.00 0.00 54.97 57.83 3i8i s GLU 51 Cb -0.04 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.88 3i8i s GLU 51 CO 0.15 -0.63 0.06 1.55 -0.54 0.00 0.00 175.26 175.85 3i8i n VAL 52 N 4.50 0.00 0.00 3.70 3.14 0.61 -4.91 118.33 125.37 3i8i n VAL 52 Ca 0.14 -1.97 0.00 0.00 -2.96 0.00 0.00 64.34 59.55 3i8i n VAL 52 Cb 0.41 0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.50 3i8i n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66