#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s LYS 2 N 0.00 3.23 0.76 3.17 1.02 -1.26 -4.99 119.74 121.67 3f1h s LYS 2 Ca 0.00 0.36 -0.13 0.00 0.02 0.00 0.00 55.97 56.23 3f1h s LYS 2 Cb 0.00 -4.15 0.19 0.00 -0.52 0.00 0.00 37.83 33.34 3f1h s LYS 2 CO 0.00 -2.04 0.66 0.54 -0.92 0.00 0.00 175.35 173.59 3f1h n ARG 3 N 8.81 -2.40 0.09 1.68 5.12 -1.26 -5.00 116.66 123.70 3f1h n ARG 3 Ca 0.12 -1.06 -0.24 0.00 -1.93 0.00 0.00 57.85 54.74 3f1h n ARG 3 Cb 0.49 -1.01 -0.15 0.00 -1.16 0.00 0.00 32.46 30.63 3f1h n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3f1h h THR 4 N -2.30 1.04 -2.98 0.55 1.03 -2.09 -3.44 112.91 104.71 3f1h h THR 4 Ca -0.25 -2.56 -0.61 0.00 -0.01 0.00 0.00 66.41 62.98 3f1h h THR 4 Cb 0.77 2.85 -0.12 0.00 -1.07 0.00 0.00 68.15 70.57 3f1h h THR 4 CO 0.16 0.84 0.59 0.86 -0.01 0.00 0.00 175.52 177.97 3f1h s TRP 5 N -2.58 2.72 -0.45 0.00 -0.11 -1.26 -4.98 118.94 112.28 3f1h s TRP 5 Ca -0.14 -0.17 -0.05 0.00 1.22 0.00 0.00 56.10 56.96 3f1h s TRP 5 Cb 0.05 -4.18 0.12 0.00 -1.50 0.00 0.00 33.47 27.96 3f1h s TRP 5 CO 0.88 -1.49 0.27 -0.65 -4.62 0.00 0.00 176.95 171.34 3f1h s GLN 6 N 4.11 2.20 0.59 5.86 -1.52 -1.26 -5.08 119.66 124.56 3f1h s GLN 6 Ca 0.28 -1.88 -0.20 0.00 -1.95 0.00 0.00 55.36 51.61 3f1h s GLN 6 Cb -0.13 -3.70 -0.04 0.00 -0.22 0.00 0.00 33.01 28.91 3f1h s GLN 6 CO 0.16 -1.12 1.20 -2.30 -0.25 0.00 0.00 175.29 172.98 3f1h n PRO 7 N 4.56 1.26 -3.35 2.91 -0.02 -1.26 -5.00 135.00 134.10 3f1h n PRO 7 Ca -0.03 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 3f1h n PRO 7 Cb 0.41 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3f1h n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3f1h s ASN 8 N -1.14 -0.92 0.19 2.55 3.04 -1.26 -5.06 114.94 112.33 3f1h s ASN 8 Ca 0.76 0.92 -0.09 0.00 0.04 0.00 0.00 52.86 54.49 3f1h s ASN 8 Cb -0.41 1.91 0.09 0.00 -1.54 0.00 0.00 41.25 41.30 3f1h s ASN 8 CO 0.46 -0.17 1.68 0.03 -3.04 0.00 0.00 177.10 176.06 3f1h h ARG 9 N 7.86 1.08 0.08 0.43 3.08 -1.96 -2.03 114.38 122.92 3f1h h ARG 9 Ca -0.18 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 3f1h h ARG 9 Cb 1.13 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3f1h h ARG 9 CO 0.10 1.00 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.88 3f1h h ARG 10 N 1.00 -0.11 -0.60 0.04 2.43 -1.97 -1.82 114.38 113.36 3f1h h ARG 10 Ca 0.20 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.49 3f1h h ARG 10 Cb 0.45 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.91 3f1h h ARG 10 CO 0.01 0.24 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.33 3f1h h LYS 11 N -0.47 -0.02 0.49 0.20 1.63 -1.94 0.18 116.57 116.63 3f1h h LYS 11 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3f1h h LYS 11 Cb 0.40 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3f1h h LYS 11 CO 0.02 -0.01 -0.28 -0.09 -3.45 0.00 0.00 179.45 175.64 3f1h h ARG 12 N -0.02 -0.69 -0.71 1.90 2.43 -1.13 0.23 114.38 116.39 3f1h h ARG 12 Ca 0.28 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 3f1h h ARG 12 Cb 0.45 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3f1h h ARG 12 CO -0.62 -0.46 0.39 0.00 -1.51 0.00 0.00 179.97 177.77 3f1h h ALA 13 N -0.23 0.90 0.00 2.80 0.00 -0.90 0.40 119.26 122.22 3f1h h ALA 13 Ca -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3f1h h ALA 13 Cb 0.58 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3f1h h ALA 13 CO 0.07 0.41 -0.10 -0.22 0.00 0.00 0.00 179.25 179.42 3f1h h LYS 14 N 0.97 0.00 0.00 0.00 1.63 -0.27 -1.67 116.57 117.22 3f1h h LYS 14 Ca 0.25 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.92 3f1h h LYS 14 Cb 0.03 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 3f1h h LYS 14 CO -0.04 0.10 -1.42 2.41 -3.45 0.00 0.00 179.45 177.05 3f1h n THR 15 N -3.44 1.51 0.80 1.00 -1.04 0.78 -4.68 114.28 109.20 3f1h n THR 15 Ca -0.01 -0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.10 3f1h n THR 15 Cb 0.25 -2.22 0.10 0.00 -1.82 0.00 0.00 70.33 66.64 3f1h n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3f1h n HIS 16 N -4.40 0.06 -0.64 -1.42 8.25 0.04 -4.76 115.22 112.36 3f1h n HIS 16 Ca -0.25 -0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 56.87 3f1h n HIS 16 Cb 0.62 -0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.91 3f1h n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1h n GLY 17 N 1.21 -1.02 0.19 -1.41 0.00 -0.63 -4.63 105.19 98.90 3f1h n GLY 17 Ca 0.13 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 3f1h n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3f1h h PHE 18 N -2.07 0.32 0.45 1.61 3.57 -1.92 0.19 116.94 119.09 3f1h h PHE 18 Ca -0.48 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 3f1h h PHE 18 Cb 1.29 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 3f1h h PHE 18 CO 0.42 0.13 -0.27 0.00 -2.23 0.00 0.00 178.31 176.36 3f1h h ARG 19 N 0.37 -0.66 0.05 1.11 2.47 -1.91 -2.10 114.38 113.70 3f1h h ARG 19 Ca 0.21 0.05 0.03 0.00 -1.26 0.00 0.00 59.98 59.00 3f1h h ARG 19 Cb 0.18 0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.60 3f1h h ARG 19 CO -0.19 -0.44 -0.42 0.00 0.56 0.00 0.00 179.97 179.47 3f1h h ALA 20 N -0.18 -0.71 0.00 0.04 0.00 -1.73 -0.12 119.26 116.56 3f1h h ALA 20 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3f1h h ALA 20 Cb 0.56 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3f1h h ALA 20 CO 0.06 -0.97 0.42 0.00 0.00 0.00 0.00 179.25 178.75 3f1h h ARG 21 N -0.61 0.00 0.00 0.00 2.47 -0.39 0.25 114.38 116.10 3f1h h ARG 21 Ca 0.03 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 3f1h h ARG 21 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 3f1h h ARG 21 CO -0.29 0.00 -1.29 -1.33 0.56 0.00 0.00 179.97 177.62 3f1h n MET 22 N -2.77 0.62 -0.07 0.04 2.81 -0.09 -0.70 117.12 116.95 3f1h n MET 22 Ca -0.02 0.08 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 3f1h n MET 22 Cb 0.46 -1.76 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 3f1h n MET 22 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3f1h h ARG 23 N 0.00 0.84 -5.94 0.03 2.43 -0.11 -3.43 114.38 108.20 3f1h h ARG 23 Ca -0.04 -0.50 -0.62 0.00 -0.81 0.00 0.00 59.98 58.00 3f1h h ARG 23 Cb 1.14 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 3f1h h ARG 23 CO 0.01 1.14 -0.38 -0.08 -1.51 0.00 0.00 179.97 179.15 3f1h s THR 24 N -4.18 5.29 0.26 0.20 -1.32 -1.24 -5.00 115.64 109.64 3f1h s THR 24 Ca -0.10 0.11 0.32 0.00 -1.21 0.00 0.00 61.69 60.81 3f1h s THR 24 Cb 0.11 -3.58 0.35 0.00 -1.51 0.00 0.00 72.50 67.87 3f1h s THR 24 CO 0.88 0.30 2.03 1.55 -2.21 0.00 0.00 174.62 177.17 3f1h h PRO 25 N 3.75 0.00 0.01 7.08 0.13 -1.89 -0.51 132.00 140.57 3f1h h PRO 25 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3f1h h PRO 25 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3f1h h PRO 25 CO 0.68 0.07 -0.01 0.78 -0.23 0.00 0.00 178.00 179.29 3f1h h GLY 26 N 1.51 -0.02 -0.10 1.56 0.00 -1.94 -2.99 103.07 101.09 3f1h h GLY 26 Ca -0.00 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3f1h h GLY 26 CO 0.01 -0.01 -0.48 -1.33 0.00 0.00 0.00 176.54 174.73 3f1h h GLY 27 N -0.56 -1.15 -0.42 4.60 0.00 -1.37 0.67 103.07 104.83 3f1h h GLY 27 Ca -0.00 0.68 0.32 0.00 0.00 0.00 0.00 47.33 48.32 3f1h h GLY 27 CO 0.00 -0.25 0.72 3.21 0.00 0.00 0.00 176.54 180.23 3f1h h ARG 28 N -0.52 0.28 -0.60 4.80 3.08 0.62 0.68 114.38 122.72 3f1h h ARG 28 Ca 0.03 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3f1h h ARG 28 Cb 0.60 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3f1h h ARG 28 CO -0.37 0.19 0.00 0.87 -1.07 0.00 0.00 179.97 179.58 3f1h h LYS 29 N 0.29 1.06 -0.23 0.04 1.79 -0.75 -1.13 116.57 117.65 3f1h h LYS 29 Ca 0.66 -0.34 0.02 0.00 -2.18 0.00 0.00 60.65 58.81 3f1h h LYS 29 Cb 1.83 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.37 3f1h h LYS 29 CO -0.33 1.04 0.11 0.28 -1.08 0.00 0.00 179.45 179.47 3f1h h VAL 30 N 0.96 0.99 -0.32 0.50 2.07 0.13 0.20 116.25 120.78 3f1h h VAL 30 Ca 0.17 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3f1h h VAL 30 Cb 0.56 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3f1h h VAL 30 CO 0.03 0.04 -0.15 -0.07 0.02 0.00 0.00 177.57 177.45 3f1h h LEU 31 N 0.23 -0.50 -0.60 2.57 -0.00 -0.92 0.23 115.31 116.32 3f1h h LEU 31 Ca 0.09 0.12 0.07 0.00 -0.00 0.00 0.00 57.88 58.17 3f1h h LEU 31 Cb 0.03 0.28 -0.06 0.00 -0.00 0.00 0.00 40.66 40.91 3f1h h LEU 31 CO -0.07 -0.18 0.28 0.50 -0.00 0.00 0.00 178.44 178.97 3f1h h LYS 32 N -0.10 0.50 -0.27 1.13 3.64 -0.45 0.89 116.57 121.92 3f1h h LYS 32 Ca 0.16 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3f1h h LYS 32 Cb 0.34 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3f1h h LYS 32 CO -0.38 0.33 0.16 0.00 -2.27 0.00 0.00 179.45 177.30 3f1h h ARG 33 N 0.52 0.36 -0.91 1.90 3.08 0.10 0.56 114.38 119.99 3f1h h ARG 33 Ca 0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3f1h h ARG 33 Cb 0.26 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3f1h h ARG 33 CO -0.23 0.29 0.58 0.00 -1.07 0.00 0.00 179.97 179.54 3f1h h ARG 34 N 0.34 1.21 -0.13 0.04 2.47 0.22 -1.42 114.38 117.11 3f1h h ARG 34 Ca 0.10 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3f1h h ARG 34 Cb 0.02 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 28.07 3f1h h ARG 34 CO -0.02 0.82 -0.12 0.00 0.56 0.00 0.00 179.97 181.21 3f1h h ARG 35 N 1.24 0.31 0.07 0.04 3.08 -0.49 -1.48 114.38 117.15 3f1h h ARG 35 Ca 0.33 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3f1h h ARG 35 Cb -0.10 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3f1h h ARG 35 CO -0.07 0.71 -0.12 0.37 -1.07 0.00 0.00 179.97 179.79 3f1h h GLN 36 N -0.07 -0.23 0.00 0.04 4.15 -0.70 0.04 115.11 118.34 3f1h h GLN 36 Ca 0.02 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3f1h h GLN 36 Cb 0.65 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 3f1h h GLN 36 CO 0.03 -0.16 -0.00 -0.22 -1.93 0.00 0.00 178.83 176.55 3f1h h LYS 37 N -0.24 0.00 -0.30 1.69 3.64 -1.31 -3.46 116.57 116.58 3f1h h LYS 37 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3f1h h LYS 37 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3f1h h LYS 37 CO -0.08 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.52 3f1h n GLY 38 N -1.10 0.78 3.74 5.01 0.00 0.00 -5.03 105.19 108.58 3f1h n GLY 38 Ca -0.03 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 3f1h n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1h s ARG 39 N -3.69 2.69 0.08 1.61 1.81 -0.60 -4.91 118.95 115.93 3f1h s ARG 39 Ca 0.00 1.97 0.27 0.00 -1.72 0.00 0.00 55.73 56.25 3f1h s ARG 39 Cb 0.00 -1.87 0.93 0.00 -0.45 0.00 0.00 34.95 33.55 3f1h s ARG 39 CO 0.00 -1.47 1.76 0.91 -0.68 0.00 0.00 175.30 175.82 3f1h n TRP 40 N -1.82 0.35 -3.53 -0.53 7.02 -1.26 -4.58 117.44 113.08 3f1h n TRP 40 Ca 0.15 0.10 -0.28 0.00 -1.02 0.00 0.00 57.50 56.45 3f1h n TRP 40 Cb 0.49 -0.62 -0.15 0.00 -2.42 0.00 0.00 31.31 28.61 3f1h n TRP 40 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3f1h s ARG 41 N -3.05 0.20 0.00 -0.99 0.52 -1.26 -4.96 118.95 109.40 3f1h s ARG 41 Ca 0.12 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 3f1h s ARG 41 Cb 0.16 -1.14 0.16 0.00 0.52 0.00 0.00 34.95 34.65 3f1h s ARG 41 CO 0.59 -1.01 0.98 1.28 0.02 0.00 0.00 175.30 177.16 3f1h n LEU 42 N 5.25 0.00 -3.61 2.53 4.77 -1.26 -4.74 117.00 119.95 3f1h n LEU 42 Ca -0.06 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.18 3f1h n LEU 42 Cb 0.42 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3f1h n LEU 42 CO 0.04 -0.31 0.81 0.28 -1.33 0.00 0.00 177.39 176.88 3f1h s THR 43 N -2.69 0.00 0.48 -5.08 -1.32 -1.26 -4.89 115.64 100.88 3f1h s THR 43 Ca 0.03 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.28 3f1h s THR 43 Cb 0.02 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 3f1h s THR 43 CO 0.05 0.00 1.03 -2.65 -2.21 0.00 0.00 174.62 170.85 3f1h n PRO 44 N 1.31 1.30 -2.18 7.08 -0.02 -1.26 -5.00 135.00 136.21 3f1h n PRO 44 Ca -0.10 0.47 -0.27 0.00 -2.02 0.00 0.00 63.50 61.58 3f1h n PRO 44 Cb 0.57 -2.14 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 3f1h n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f1h s ALA 45 N -1.35 3.11 0.08 3.55 0.00 -1.26 -4.94 121.76 120.95 3f1h s ALA 45 Ca 0.67 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 3f1h s ALA 45 Cb -0.50 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 19.98 3f1h s ALA 45 CO 0.54 -1.20 0.48 0.08 0.00 0.00 0.00 175.76 175.66 3f1h s VAL 46 N -3.23 0.04 0.00 0.00 1.01 -1.26 -5.01 120.40 111.95 3f1h s VAL 46 Ca 0.58 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3f1h s VAL 46 Cb -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3f1h s VAL 46 CO 0.46 -0.19 0.00 0.54 0.00 0.00 0.00 175.10 175.91 3f1h n ARG 47 N 0.20 0.00 0.00 2.72 5.12 -1.26 -5.22 116.66 118.22 3f1h n ARG 47 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 3f1h n ARG 47 Cb 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 3f1h n ARG 47 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33