#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s LYS 2 N 0.00 3.42 0.21 1.61 -0.14 -1.26 -5.07 119.74 118.52 3i56 s LYS 2 Ca 0.00 -0.50 -0.09 0.00 -1.36 0.00 0.00 55.97 54.03 3i56 s LYS 2 Cb 0.00 -3.86 -0.07 0.00 -1.68 0.00 0.00 37.83 32.23 3i56 s LYS 2 CO 0.00 -0.64 0.51 -1.59 -0.76 0.00 0.00 175.35 172.87 3i56 s LYS 3 N 2.09 3.76 0.68 1.68 -2.85 -1.26 -5.11 119.74 118.74 3i56 s LYS 3 Ca 0.13 0.19 -0.01 0.00 -1.00 0.00 0.00 55.97 55.28 3i56 s LYS 3 Cb -0.17 -2.69 0.10 0.00 -2.06 0.00 0.00 37.83 33.01 3i56 s LYS 3 CO 0.12 0.35 0.95 -1.54 0.10 0.00 0.00 175.35 175.33 3i56 s SER 4 N -2.38 4.58 0.27 0.03 1.04 -1.26 -4.93 113.70 111.06 3i56 s SER 4 Ca 0.46 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 3i56 s SER 4 Cb -0.11 -0.30 0.36 0.00 0.10 0.00 0.00 66.02 66.06 3i56 s SER 4 CO 0.22 -1.69 1.78 0.50 0.98 0.00 0.00 173.24 175.03 3i56 h LYS 5 N -0.41 0.79 -0.28 4.02 3.64 -1.99 -1.29 116.57 121.05 3i56 h LYS 5 Ca -0.38 -0.20 -0.19 0.00 -1.27 0.00 0.00 60.65 58.61 3i56 h LYS 5 Cb 1.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3i56 h LYS 5 CO 0.44 0.78 -0.56 0.00 -2.27 0.00 0.00 179.45 177.84 3i56 h ALA 6 N 1.29 0.46 -0.63 5.00 0.00 -1.99 -2.23 119.26 121.16 3i56 h ALA 6 Ca 0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3i56 h ALA 6 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3i56 h ALA 6 CO 0.01 0.68 0.13 1.15 0.00 0.00 0.00 179.25 181.23 3i56 h THR 7 N 0.66 1.25 -0.24 0.00 2.02 -1.91 -1.99 112.91 112.70 3i56 h THR 7 Ca 0.01 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.14 3i56 h THR 7 Cb 1.17 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3i56 h THR 7 CO 0.12 0.36 -0.28 0.50 0.37 0.00 0.00 175.52 176.60 3i56 h LYS 8 N 0.96 0.47 -0.27 6.66 3.64 -1.13 -1.19 116.57 125.71 3i56 h LYS 8 Ca 0.20 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 3i56 h LYS 8 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3i56 h LYS 8 CO 0.01 0.71 -0.46 0.87 -2.27 0.00 0.00 179.45 178.31 3i56 h LYS 9 N 0.42 0.69 -0.25 1.90 1.57 -0.97 -1.83 116.57 118.10 3i56 h LYS 9 Ca 0.06 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 3i56 h LYS 9 Cb 0.70 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3i56 h LYS 9 CO 0.05 1.00 -0.14 0.00 -0.57 0.00 0.00 179.45 179.80 3i56 h ARG 10 N 0.55 0.54 -0.35 3.15 3.08 -1.07 -1.69 114.38 118.60 3i56 h ARG 10 Ca 0.03 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 3i56 h ARG 10 Cb 1.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3i56 h ARG 10 CO 0.10 0.80 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.68 3i56 h LEU 11 N 0.26 0.54 -0.94 3.04 3.38 -1.21 -1.53 115.31 118.84 3i56 h LEU 11 Ca 0.05 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3i56 h LEU 11 Cb 0.65 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i56 h LEU 11 CO 0.04 0.64 -0.06 0.00 0.09 0.00 0.00 178.44 179.15 3i56 h ALA 12 N 1.42 1.11 -0.17 1.53 0.00 -1.12 -1.15 119.26 120.89 3i56 h ALA 12 Ca 0.11 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3i56 h ALA 12 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i56 h ALA 12 CO 0.02 0.56 -0.44 -0.22 0.00 0.00 0.00 179.25 179.16 3i56 h LYS 13 N 0.66 0.61 -0.05 0.00 3.64 -0.77 -2.85 116.57 117.80 3i56 h LYS 13 Ca 0.12 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 3i56 h LYS 13 Cb 0.50 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3i56 h LYS 13 CO 0.03 1.04 -0.12 -0.07 -2.27 0.00 0.00 179.45 178.06 3i56 h LEU 14 N 0.27 0.07 -0.44 5.20 3.38 -0.97 -0.62 115.31 122.20 3i56 h LEU 14 Ca -0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3i56 h LEU 14 Cb 1.06 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3i56 h LEU 14 CO 0.10 0.20 -0.63 -0.78 0.09 0.00 0.00 178.44 177.42 3i56 h ASP 15 N 0.08 0.63 0.33 -0.43 3.58 -1.16 -2.85 116.42 116.59 3i56 h ASP 15 Ca 0.02 -0.37 -0.17 0.00 0.42 0.00 0.00 57.03 56.93 3i56 h ASP 15 Cb 0.26 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3i56 h ASP 15 CO 0.02 1.10 -0.70 -1.13 -2.88 0.00 0.00 179.24 175.65 3i56 h ASN 16 N 0.41 0.38 0.72 2.28 -0.00 -1.05 -2.89 115.58 115.43 3i56 h ASN 16 Ca -0.01 -0.25 -0.01 0.00 -0.00 0.00 0.00 56.30 56.04 3i56 h ASN 16 Cb 1.19 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 39.40 3i56 h ASN 16 CO 0.12 0.96 -0.03 1.56 -0.00 0.00 0.00 177.43 180.04 3i56 h GLN 17 N 0.22 0.00 -0.56 6.67 4.20 -1.08 -2.91 115.11 121.65 3i56 h GLN 17 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3i56 h GLN 17 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3i56 h GLN 17 CO 0.11 0.03 0.00 -1.71 -0.67 0.00 0.00 178.83 176.60 3i56 n ASN 18 N -3.17 0.75 -4.94 1.46 4.05 -1.08 -4.84 115.26 107.48 3i56 n ASN 18 Ca -0.01 -2.02 -0.25 0.00 0.45 0.00 0.00 54.58 52.76 3i56 n ASN 18 Cb 0.26 -0.29 -0.02 0.00 1.23 0.00 0.00 39.78 40.95 3i56 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3i56 s SER 19 N -0.46 6.34 0.75 1.20 1.04 -1.10 -4.90 113.70 116.56 3i56 s SER 19 Ca 0.02 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 3i56 s SER 19 Cb 0.02 -1.98 0.04 0.00 0.10 0.00 0.00 66.02 64.20 3i56 s SER 19 CO 0.01 -0.13 1.11 -0.60 0.98 0.00 0.00 173.24 174.61 3i56 s ARG 20 N -3.80 2.51 -0.17 4.02 3.52 -1.26 -5.00 118.95 118.76 3i56 s ARG 20 Ca 0.38 0.48 -0.29 0.00 -0.13 0.00 0.00 55.73 56.16 3i56 s ARG 20 Cb -0.10 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 3i56 s ARG 20 CO 0.31 -1.29 1.42 0.08 -0.81 0.00 0.00 175.30 175.01 3i56 s VAL 21 N -3.32 4.00 0.55 7.11 1.01 -1.26 -4.97 120.40 123.53 3i56 s VAL 21 Ca 0.59 1.18 -0.20 0.00 0.00 0.00 0.00 61.98 63.56 3i56 s VAL 21 Cb -0.12 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3i56 s VAL 21 CO 0.52 -0.20 0.98 -0.81 0.00 0.00 0.00 175.10 175.59 3i56 n PRO 22 N 7.03 1.05 -0.33 2.72 -0.04 -1.26 -4.91 135.00 139.27 3i56 n PRO 22 Ca 0.16 0.40 0.22 0.00 -0.04 0.00 0.00 63.50 64.23 3i56 n PRO 22 Cb 0.45 -2.14 0.44 0.00 -0.04 0.00 0.00 33.50 32.20 3i56 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i56 h ALA 23 N 0.80 1.80 0.00 0.55 0.00 -2.02 -1.94 119.26 118.45 3i56 h ALA 23 Ca -0.48 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3i56 h ALA 23 Cb 1.35 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3i56 h ALA 23 CO 0.52 -0.58 -0.47 0.11 0.00 0.00 0.00 179.25 178.83 3i56 h TRP 24 N 0.26 0.00 -0.10 0.00 5.08 -2.01 -3.05 115.95 116.12 3i56 h TRP 24 Ca 0.70 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.56 3i56 h TRP 24 Cb 1.59 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.74 3i56 h TRP 24 CO -0.08 0.47 -0.43 0.28 -1.28 0.00 0.00 178.44 177.40 3i56 h VAL 25 N 0.00 1.32 -0.50 0.12 2.07 -1.71 -1.55 116.25 116.00 3i56 h VAL 25 Ca -0.00 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3i56 h VAL 25 Cb 0.92 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3i56 h VAL 25 CO 0.06 0.47 0.21 0.24 0.02 0.00 0.00 177.57 178.56 3i56 h MET 26 N 0.20 0.71 0.16 1.57 2.86 -1.57 0.18 114.93 119.04 3i56 h MET 26 Ca 0.02 -0.10 -0.32 0.00 -2.06 0.00 0.00 59.70 57.24 3i56 h MET 26 Cb 0.84 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.38 3i56 h MET 26 CO 0.07 0.58 -1.53 -0.07 1.06 0.00 0.00 176.91 177.02 3i56 h LEU 27 N 0.71 0.53 -1.17 1.22 3.38 -1.56 0.35 115.31 118.76 3i56 h LEU 27 Ca 0.17 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 3i56 h LEU 27 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3i56 h LEU 27 CO -0.02 1.56 -0.41 0.50 0.09 0.00 0.00 178.44 180.16 3i56 h LYS 28 N 0.09 0.01 -0.01 1.13 3.64 -0.92 -2.99 116.57 117.52 3i56 h LYS 28 Ca -0.25 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3i56 h LYS 28 Cb 2.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 3i56 h LYS 28 CO 0.19 0.42 -0.52 0.25 -2.27 0.00 0.00 179.45 177.52 3i56 n THR 29 N -4.05 0.00 -3.33 1.00 -2.24 0.02 -4.97 114.28 100.71 3i56 n THR 29 Ca -0.02 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.29 3i56 n THR 29 Cb 0.44 1.19 0.05 0.00 -2.10 0.00 0.00 70.33 69.91 3i56 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i56 n ASP 30 N -0.31 -5.99 -1.17 3.42 8.00 -0.91 -5.06 116.55 114.53 3i56 n ASP 30 Ca 0.08 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3i56 n ASP 30 Cb 0.41 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 3i56 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i56 n ARG 31 N -4.43 -3.31 0.00 -1.24 1.74 0.07 -5.03 116.66 104.46 3i56 n ARG 31 Ca -0.05 2.48 0.00 0.00 -0.77 0.00 0.00 57.85 59.51 3i56 n ARG 31 Cb 0.59 -2.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 3i56 n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i56 n ARG 35 N -1.14 0.00 -3.38 5.56 1.74 -1.26 -5.04 116.66 113.14 3i56 n ARG 35 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3i56 n ARG 35 Cb 0.05 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.40 3i56 n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i56 s ASN 36 N 0.00 6.18 0.00 0.55 2.47 -1.26 -4.95 114.94 117.94 3i56 s ASN 36 Ca 0.00 -0.32 0.28 0.00 0.42 0.00 0.00 52.86 53.24 3i56 s ASN 36 Cb 0.00 -2.20 1.05 0.00 -1.45 0.00 0.00 41.25 38.65 3i56 s ASN 36 CO 0.00 -0.39 1.77 1.41 -3.72 0.00 0.00 177.10 176.18 3i56 n HIS 37 N 5.42 0.00 -1.37 0.43 8.25 -1.26 -3.82 115.22 122.87 3i56 n HIS 37 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 3i56 n HIS 37 Cb 0.49 -0.31 0.18 0.00 1.12 0.00 0.00 29.99 31.46 3i56 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i56 n LYS 38 N -1.30 2.13 -2.29 -0.41 5.02 -1.26 -4.98 118.16 115.07 3i56 n LYS 38 Ca 0.09 -3.16 -0.43 0.00 -2.02 0.00 0.00 58.31 52.80 3i56 n LYS 38 Cb 0.31 -2.02 -0.02 0.00 -0.02 0.00 0.00 35.03 33.28 3i56 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i56 s ARG 39 N -3.33 4.20 -0.09 1.97 0.52 -1.25 -4.73 118.95 116.24 3i56 s ARG 39 Ca 0.52 1.81 0.03 0.00 -0.52 0.00 0.00 55.73 57.57 3i56 s ARG 39 Cb 0.45 -3.84 0.01 0.00 0.52 0.00 0.00 34.95 32.08 3i56 s ARG 39 CO 0.05 -0.77 -0.18 0.50 0.02 0.00 0.00 175.30 174.91 3i56 s ARG 40 N 3.70 2.42 0.08 3.54 3.52 -1.26 -5.04 118.95 125.91 3i56 s ARG 40 Ca 0.61 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 3i56 s ARG 40 Cb -0.25 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 3i56 s ARG 40 CO 0.20 0.09 0.20 -1.58 -0.81 0.00 0.00 175.30 173.39 3i56 s HIS 41 N 0.56 3.46 0.33 5.12 5.65 -1.26 -4.99 115.29 124.16 3i56 s HIS 41 Ca -0.15 0.20 0.08 0.00 0.25 0.00 0.00 55.06 55.43 3i56 s HIS 41 Cb -0.17 -1.72 0.58 0.00 -1.18 0.00 0.00 32.58 30.09 3i56 s HIS 41 CO 0.05 0.57 1.79 0.11 -0.65 0.00 0.00 174.74 176.61 3i56 h TRP 42 N 2.99 0.28 0.00 3.88 5.08 -2.01 -2.58 115.95 123.58 3i56 h TRP 42 Ca -0.46 -0.06 -0.15 0.00 1.08 0.00 0.00 58.89 59.31 3i56 h TRP 42 Cb 1.17 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 27.23 3i56 h TRP 42 CO 0.60 0.52 -1.07 -2.13 -1.28 0.00 0.00 178.44 175.08 3i56 n ARG 43 N -4.13 0.52 -0.08 0.12 0.63 -1.26 -4.64 116.66 107.83 3i56 n ARG 43 Ca -0.01 0.50 -0.11 0.00 -0.92 0.00 0.00 57.85 57.31 3i56 n ARG 43 Cb 0.39 -1.68 -0.04 0.00 0.45 0.00 0.00 32.46 31.58 3i56 n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i56 h ARG 44 N -1.00 0.41 -6.34 -0.14 2.47 -2.00 -3.45 114.38 104.34 3i56 h ARG 44 Ca -0.22 -0.12 -0.45 0.00 -1.26 0.00 0.00 59.98 57.92 3i56 h ARG 44 Cb 1.00 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3i56 h ARG 44 CO -0.13 0.57 -0.33 -0.80 0.56 0.00 0.00 179.97 179.84 3i56 s ASN 45 N -5.88 6.10 -0.05 7.04 0.01 -0.97 -4.99 114.94 116.19 3i56 s ASN 45 Ca -0.14 0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.08 3i56 s ASN 45 Cb 0.07 -1.54 -0.01 0.00 0.41 0.00 0.00 41.25 40.18 3i56 s ASN 45 CO 0.74 -0.33 -0.23 -0.62 -1.51 0.00 0.00 177.10 175.15 3i56 s ASP 46 N -4.10 2.84 0.72 -1.22 3.68 -1.26 -4.60 116.67 112.73 3i56 s ASP 46 Ca 0.41 -0.47 -0.03 0.00 2.13 0.00 0.00 52.55 54.60 3i56 s ASP 46 Cb -0.09 -0.75 0.12 0.00 -1.45 0.00 0.00 42.92 40.74 3i56 s ASP 46 CO 0.32 0.23 1.00 0.42 0.13 0.00 0.00 175.17 177.27 3i56 s THR 47 N -0.14 2.19 0.74 1.71 -4.23 -1.26 -5.10 115.64 109.55 3i56 s THR 47 Ca -0.03 -0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 59.89 3i56 s THR 47 Cb -0.13 -2.67 0.08 0.00 1.34 0.00 0.00 72.50 71.12 3i56 s THR 47 CO 0.03 0.00 1.06 -1.81 -0.54 0.00 0.00 174.62 173.36 3i56 s ASP 48 N -4.70 4.57 0.00 3.99 -0.00 -1.26 -5.28 116.67 113.99 3i56 s ASP 48 Ca 0.66 0.41 0.00 0.00 -0.00 0.00 0.00 52.55 53.61 3i56 s ASP 48 Cb -0.06 -0.96 0.00 0.00 -0.00 0.00 0.00 42.92 41.90 3i56 s ASP 48 CO 0.45 -1.77 0.00 -0.62 -0.00 0.00 0.00 175.17 173.23