#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s LEU 10 N 0.00 4.13 0.04 -1.96 2.01 -1.26 -2.73 118.68 118.91 3f1h s LEU 10 Ca 0.00 1.90 -0.01 0.00 0.01 0.00 0.00 54.13 56.03 3f1h s LEU 10 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 46.19 41.93 3f1h s LEU 10 CO 0.00 -0.37 -0.02 -0.22 1.01 0.00 0.00 176.35 176.75 3f1h s LEU 11 N -2.66 2.37 -0.29 1.79 1.98 -0.95 -4.70 118.68 116.22 3f1h s LEU 11 Ca 0.57 -0.86 -0.03 0.00 -2.89 0.00 0.00 54.13 50.92 3f1h s LEU 11 Cb -0.18 0.22 0.11 0.00 0.66 0.00 0.00 46.19 47.00 3f1h s LEU 11 CO 0.23 -0.53 0.17 -1.83 -1.89 0.00 0.00 176.35 172.50 3f1h s GLU 12 N -3.31 0.22 -0.38 1.98 1.03 -1.25 -1.61 118.70 115.38 3f1h s GLU 12 Ca 0.01 -0.42 -0.28 0.00 0.03 0.00 0.00 54.97 54.31 3f1h s GLU 12 Cb 0.03 -1.03 -0.02 0.00 -0.80 0.00 0.00 34.13 32.31 3f1h s GLU 12 CO -0.08 -1.02 1.76 0.00 -1.33 0.00 0.00 175.26 174.60 3f1h s THR 14 N 7.07 3.86 0.28 0.00 -1.32 -0.83 -2.24 115.64 122.47 3f1h s THR 14 Ca 0.76 1.08 -0.20 0.00 -1.21 0.00 0.00 61.69 62.11 3f1h s THR 14 Cb -0.20 -3.46 -0.09 0.00 -1.51 0.00 0.00 72.50 67.25 3f1h s THR 14 CO 0.32 -0.33 0.80 -0.70 -2.21 0.00 0.00 174.62 172.49 3f1h s GLU 15 N -3.47 4.29 0.66 7.08 2.12 -1.18 -0.68 118.70 127.52 3f1h s GLU 15 Ca 0.66 0.97 -0.13 0.00 0.36 0.00 0.00 54.97 56.82 3f1h s GLU 15 Cb -0.16 -2.72 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 3f1h s GLU 15 CO 0.24 0.29 1.06 0.00 -0.54 0.00 0.00 175.26 176.31 3f1h n LYS 17 N -2.65 -4.40 0.00 0.00 0.00 -1.26 -4.77 118.16 105.08 3f1h n LYS 17 Ca 0.08 0.50 0.00 0.00 0.00 0.00 0.00 58.31 58.90 3f1h n LYS 17 Cb 0.53 -5.17 0.00 0.00 0.00 0.00 0.00 35.03 30.39 3f1h n LYS 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3f1h n ARG 18 N -4.50 0.00 -1.26 1.64 0.63 -1.24 -5.08 116.66 106.85 3f1h n ARG 18 Ca -0.05 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.83 3f1h n ARG 18 Cb 0.56 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.46 3f1h n ARG 18 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3f1h n ARG 19 N 0.00 0.25 -1.13 -0.14 1.85 -1.26 -4.84 116.66 111.39 3f1h n ARG 19 Ca 0.00 -0.83 -0.16 0.00 -1.00 0.00 0.00 57.85 55.85 3f1h n ARG 19 Cb 0.00 0.46 0.11 0.00 -1.05 0.00 0.00 32.46 31.99 3f1h n ARG 19 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3f1h n ASN 20 N -0.29 0.11 -3.65 2.89 4.05 -1.26 -4.85 115.26 112.27 3f1h n ASN 20 Ca -0.20 -1.30 -0.11 0.00 0.45 0.00 0.00 54.58 53.41 3f1h n ASN 20 Cb 0.65 -0.56 -0.04 0.00 1.23 0.00 0.00 39.78 41.06 3f1h n ASN 20 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3f1h s TYR 21 N -2.58 0.55 0.13 1.20 1.51 -1.23 -3.07 117.35 113.86 3f1h s TYR 21 Ca 0.43 -0.91 -0.14 0.00 -1.01 0.00 0.00 57.07 55.44 3f1h s TYR 21 Cb -0.01 0.18 0.02 0.00 -0.11 0.00 0.00 41.96 42.04 3f1h s TYR 21 CO 0.30 -1.10 0.37 0.00 -1.11 0.00 0.00 175.55 174.00 3f1h s ALA 22 N -3.53 -0.69 -0.54 3.71 0.00 -0.95 -4.85 121.76 114.92 3f1h s ALA 22 Ca 0.24 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 3f1h s ALA 22 Cb -0.01 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.83 3f1h s ALA 22 CO 0.13 -0.64 1.28 0.95 0.00 0.00 0.00 175.76 177.48 3f1h s THR 23 N -3.84 3.96 0.30 0.00 -4.23 -1.26 -3.29 115.64 107.27 3f1h s THR 23 Ca 0.06 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 61.48 3f1h s THR 23 Cb 0.02 -4.55 -0.05 0.00 1.34 0.00 0.00 72.50 69.26 3f1h s THR 23 CO -0.09 -1.16 0.10 -0.70 -0.54 0.00 0.00 174.62 172.22 3f1h s GLU 24 N 5.05 1.55 -0.42 3.99 -6.30 -0.64 -4.97 118.70 116.97 3f1h s GLU 24 Ca 0.49 -1.86 0.05 0.00 -2.50 0.00 0.00 54.97 51.15 3f1h s GLU 24 Cb -0.09 -0.44 0.18 0.00 0.00 0.00 0.00 34.13 33.79 3f1h s GLU 24 CO 0.27 -0.30 0.71 0.15 0.02 0.00 0.00 175.26 176.11 3f1h s LYS 25 N -3.94 0.77 0.00 4.30 1.02 -1.26 -2.25 119.74 118.39 3f1h s LYS 25 Ca 0.36 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.97 3f1h s LYS 25 Cb 0.07 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 3f1h s LYS 25 CO 0.15 -1.07 0.00 -1.71 -0.92 0.00 0.00 175.35 171.79 3f1h n ASN 26 N 4.01 0.00 -0.11 2.83 5.15 -1.11 -4.90 115.26 121.13 3f1h n ASN 26 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 3f1h n ASN 26 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 3f1h n ASN 26 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3f1h n LYS 27 N 0.00 0.00 0.00 1.20 4.76 -1.26 -4.49 118.16 118.37 3f1h n LYS 27 Ca 0.00 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3f1h n LYS 27 Cb 0.00 -0.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 3f1h n LYS 27 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3f1h n ARG 28 N 0.00 0.00 0.09 1.97 3.00 -1.26 -2.27 116.66 118.19 3f1h n ARG 28 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 3f1h n ARG 28 Cb 0.51 0.00 0.17 0.00 0.00 0.00 0.00 32.46 33.14 3f1h n ARG 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3f1h h ASN 29 N 0.00 0.24 -3.57 6.15 -0.26 -2.00 -3.36 115.58 112.79 3f1h h ASN 29 Ca 0.00 -0.12 -0.52 0.00 -0.56 0.00 0.00 56.30 55.10 3f1h h ASN 29 Cb 0.00 -0.07 0.05 0.00 -1.06 0.00 0.00 38.32 37.24 3f1h h ASN 29 CO 0.00 0.72 0.66 0.42 -1.06 0.00 0.00 177.43 178.17 3f1h s THR 30 N -3.93 2.93 0.00 2.81 -4.23 -0.96 -4.66 115.64 107.59 3f1h s THR 30 Ca -0.04 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3f1h s THR 30 Cb 0.13 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3f1h s THR 30 CO 0.78 0.15 0.04 -2.65 -0.54 0.00 0.00 174.62 172.41 3f1h n PRO 31 N 1.86 0.00 -2.75 3.99 -0.02 -1.26 -4.41 135.00 132.42 3f1h n PRO 31 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.42 3f1h n PRO 31 Cb 0.42 -0.68 0.04 0.00 -0.02 0.00 0.00 33.50 33.26 3f1h n PRO 31 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3f1h n ASN 32 N 1.78 0.58 -0.09 2.55 4.13 -1.26 -4.86 115.26 118.10 3f1h n ASN 32 Ca 0.00 -2.75 -0.15 0.00 1.68 0.00 0.00 54.58 53.36 3f1h n ASN 32 Cb 0.02 -0.16 -0.04 0.00 -1.54 0.00 0.00 39.78 38.06 3f1h n ASN 32 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3f1h h LYS 33 N 2.82 0.90 -7.70 3.52 1.79 -1.77 -3.38 116.57 112.74 3f1h h LYS 33 Ca -0.10 -0.56 -0.44 0.00 -2.18 0.00 0.00 60.65 57.37 3f1h h LYS 33 Cb 1.17 0.06 0.17 0.00 -1.58 0.00 0.00 32.23 32.05 3f1h h LYS 33 CO 0.38 1.19 0.34 -0.48 -1.08 0.00 0.00 179.45 179.80 3f1h s LEU 34 N -8.72 2.11 0.00 2.94 -0.00 -1.26 -5.09 118.68 108.65 3f1h s LEU 34 Ca -0.11 0.35 0.00 0.00 -0.00 0.00 0.00 54.13 54.37 3f1h s LEU 34 Cb 0.10 -2.28 0.00 0.00 -0.00 0.00 0.00 46.19 44.01 3f1h s LEU 34 CO 0.89 -3.19 0.00 1.21 -0.00 0.00 0.00 176.35 175.26 3f1h n GLU 35 N -4.09 0.00 -2.65 1.48 4.07 -1.26 -5.01 120.64 113.19 3f1h n GLU 35 Ca 0.15 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.23 3f1h n GLU 35 Cb 0.59 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.08 3f1h n GLU 35 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 3f1h n LEU 36 N 0.00 -0.65 -4.42 4.31 -0.00 -1.25 -2.27 117.00 112.72 3f1h n LEU 36 Ca 0.00 -3.11 -0.31 0.00 -0.00 0.00 0.00 56.01 52.58 3f1h n LEU 36 Cb 0.00 0.19 0.18 0.00 -0.00 0.00 0.00 43.42 43.79 3f1h n LEU 36 CO 0.00 1.52 0.02 0.54 -0.00 0.00 0.00 177.39 179.47 3f1h n ARG 37 N -1.24 -1.29 -3.37 1.47 3.00 -1.20 -4.12 116.66 109.91 3f1h n ARG 37 Ca -0.12 -0.34 -0.38 0.00 -0.01 0.00 0.00 57.85 57.00 3f1h n ARG 37 Cb 0.86 -1.96 -0.06 0.00 0.00 0.00 0.00 32.46 31.30 3f1h n ARG 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3f1h s LYS 38 N -3.91 4.16 0.16 5.56 2.20 -1.26 -1.28 119.74 125.37 3f1h s LYS 38 Ca 0.61 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 56.75 3f1h s LYS 38 Cb -0.19 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 3f1h s LYS 38 CO 0.65 0.46 0.17 0.98 -0.36 0.00 0.00 175.35 177.25 3f1h n TYR 39 N 2.56 -0.59 -3.57 4.03 9.36 0.36 -4.95 117.16 124.37 3f1h n TYR 39 Ca -0.10 -1.21 -0.22 0.00 3.32 0.00 0.00 57.90 59.69 3f1h n TYR 39 Cb 0.52 0.18 -0.15 0.00 -0.63 0.00 0.00 39.34 39.26 3f1h n TYR 39 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3f1h n PRO 41 N 5.30 -1.88 -0.11 0.00 -0.04 -1.26 -4.82 135.00 132.18 3f1h n PRO 41 Ca -0.06 -1.84 -0.14 0.00 -0.04 0.00 0.00 63.50 61.42 3f1h n PRO 41 Cb 0.49 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 3f1h n PRO 41 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 3f1h n TRP 42 N -4.10 0.02 -2.36 0.54 -0.00 -1.26 -4.64 117.44 105.64 3f1h n TRP 42 Ca 0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.23 3f1h n TRP 42 Cb 0.55 -1.00 -0.03 0.00 -0.00 0.00 0.00 31.31 30.83 3f1h n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3f1h n ARG 44 N 5.48 0.00 -3.54 0.00 3.00 -1.26 -4.85 116.66 115.49 3f1h n ARG 44 Ca 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.95 3f1h n ARG 44 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.86 3f1h n ARG 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3f1h s LYS 45 N 0.00 0.44 0.07 5.56 -0.14 -1.26 -4.84 119.74 119.57 3f1h s LYS 45 Ca 0.00 1.00 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 3f1h s LYS 45 Cb 0.00 0.50 0.00 0.00 -1.68 0.00 0.00 37.83 36.65 3f1h s LYS 45 CO 0.00 -0.13 0.00 0.72 -0.76 0.00 0.00 175.35 175.18 3f1h n HIS 46 N 4.87 -2.65 -3.80 3.18 8.25 -1.26 -4.94 115.22 118.87 3f1h n HIS 46 Ca -0.13 1.59 -0.09 0.00 -0.26 0.00 0.00 57.72 58.83 3f1h n HIS 46 Cb 0.53 -2.95 0.03 0.00 1.12 0.00 0.00 29.99 28.72 3f1h n HIS 46 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3f1h s THR 47 N -0.30 0.00 0.65 1.59 -4.23 0.30 -4.96 115.64 108.69 3f1h s THR 47 Ca 0.00 -1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 3f1h s THR 47 Cb 0.00 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 3f1h s THR 47 CO 0.00 0.00 1.04 0.68 -0.54 0.00 0.00 174.62 175.80 3f1h s VAL 48 N -2.10 4.36 -0.13 2.29 -7.23 -1.26 -0.48 120.40 115.85 3f1h s VAL 48 Ca 0.16 0.80 -0.04 0.00 -1.81 0.00 0.00 61.98 61.09 3f1h s VAL 48 Cb -0.05 -3.63 0.06 0.00 0.56 0.00 0.00 36.38 33.32 3f1h s VAL 48 CO 0.12 -0.97 0.19 -1.00 -0.31 0.00 0.00 175.10 173.13 3f1h s HIS 49 N -3.06 -0.24 0.89 2.82 3.76 -0.40 -0.96 115.29 118.09 3f1h s HIS 49 Ca 0.57 0.52 -0.13 0.00 -0.15 0.00 0.00 55.06 55.87 3f1h s HIS 49 Cb -0.12 -0.27 0.13 0.00 1.11 0.00 0.00 32.58 33.43 3f1h s HIS 49 CO 0.53 -0.39 1.20 1.03 -0.85 0.00 0.00 174.74 176.26 3f1h s ARG 50 N 2.32 1.32 0.00 1.40 1.81 0.15 -3.28 118.95 122.67 3f1h s ARG 50 Ca 0.04 0.01 0.00 0.00 -1.72 0.00 0.00 55.73 54.06 3f1h s ARG 50 Cb -0.13 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.48 3f1h s ARG 50 CO -0.08 -2.02 0.39 -1.91 -0.68 0.00 0.00 175.30 171.00 3f1h n GLU 51 N -3.59 0.00 -0.42 3.54 2.13 -0.96 -1.97 120.64 119.38 3f1h n GLU 51 Ca 0.10 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3f1h n GLU 51 Cb 0.60 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 31.38 3f1h n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00