#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwc s GLY 2 N 0.00 -0.40 0.00 3.03 0.00 -1.26 -5.12 107.32 103.58 1iwc s GLY 2 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.39 1iwc s GLY 2 CO 0.00 0.12 0.00 0.28 0.00 0.00 0.00 173.10 173.50 1iwc n LYS 3 N -0.48 0.00 -2.69 2.90 4.76 -1.26 -5.01 118.16 116.38 1iwc n LYS 3 Ca -0.08 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.19 1iwc n LYS 3 Cb 0.63 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.81 1iwc n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iwc n ALA 4 N -2.27 -0.84 -0.99 7.82 0.00 -1.26 -4.89 120.51 118.08 1iwc n ALA 4 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1iwc n ALA 4 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1iwc n ALA 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iwc n GLU 5 N -3.18 0.00 0.30 0.00 -0.58 -1.26 -1.91 120.64 114.01 1iwc n GLU 5 Ca -0.13 0.14 0.19 0.00 -0.42 0.00 0.00 57.16 56.95 1iwc n GLU 5 Cb 0.61 -1.00 1.04 0.00 -0.57 0.00 0.00 31.44 31.52 1iwc n GLU 5 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1iwc h ASN 6 N 0.00 0.00 0.10 1.62 -1.24 -1.98 -2.98 115.58 111.09 1iwc h ASN 6 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1iwc h ASN 6 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1iwc h ASN 6 CO 0.00 0.00 -0.06 0.22 -1.29 0.00 0.00 177.43 176.30 1iwc h TYR 7 N 0.00 -0.16 0.13 0.67 3.20 -1.80 -1.38 116.97 117.63 1iwc h TYR 7 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1iwc h TYR 7 Cb 0.05 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1iwc h TYR 7 CO 0.00 -0.09 -0.20 0.93 -1.64 0.00 0.00 178.16 177.16 1iwc h GLU 8 N -0.15 -0.38 -1.22 1.82 5.08 -1.26 -0.22 114.58 118.26 1iwc h GLU 8 Ca -0.01 0.03 0.35 0.00 -1.00 0.00 0.00 59.36 58.73 1iwc h GLU 8 Cb 0.12 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1iwc h GLU 8 CO 0.01 -0.25 1.04 -0.07 -1.00 0.00 0.00 179.01 178.75 1iwc h LEU 9 N -0.39 0.00 0.01 1.33 3.38 -1.54 0.57 115.31 118.68 1iwc h LEU 9 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1iwc h LEU 9 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1iwc h LEU 9 CO -0.10 0.00 -0.39 0.22 0.09 0.00 0.00 178.44 178.26 1iwc h TYR 10 N 0.00 0.36 -0.75 1.13 3.20 0.14 -2.55 116.97 118.50 1iwc h TYR 10 Ca 0.58 -0.21 0.08 0.00 3.14 0.00 0.00 58.73 62.32 1iwc h TYR 10 Cb 2.66 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 40.85 1iwc h TYR 10 CO 0.00 1.04 0.49 1.96 -1.64 0.00 0.00 178.16 180.01 1iwc h GLN 11 N -0.42 0.71 0.00 1.82 4.20 0.41 0.95 115.11 122.79 1iwc h GLN 11 Ca -0.05 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1iwc h GLN 11 Cb 1.16 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1iwc h GLN 11 CO 0.08 0.47 -0.44 -0.24 -0.67 0.00 0.00 178.83 178.03 1iwc h VAL 12 N 0.73 0.93 0.00 -0.54 3.04 -1.35 -2.69 116.25 116.37 1iwc h VAL 12 Ca 0.34 -1.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 1iwc h VAL 12 Cb 0.35 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1iwc h VAL 12 CO -0.12 0.43 0.00 -0.62 -1.01 0.00 0.00 177.57 176.25 1iwc n GLU 13 N -3.47 0.06 0.10 4.17 1.02 0.30 -3.62 120.64 119.20 1iwc n GLU 13 Ca 0.00 0.21 -0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1iwc n GLU 13 Cb 0.58 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1iwc n GLU 13 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1iwc h LEU 14 N 0.00 -0.22 -6.58 -4.62 -0.00 -1.15 -3.42 115.31 99.31 1iwc h LEU 14 Ca 0.00 0.01 -0.49 0.00 -0.00 0.00 0.00 57.88 57.39 1iwc h LEU 14 Cb 0.38 0.06 -0.37 0.00 -0.00 0.00 0.00 40.66 40.72 1iwc h LEU 14 CO 0.00 -0.13 -0.77 -0.83 -0.00 0.00 0.00 178.44 176.70 1iwc s GLY 15 N -1.42 0.46 0.00 0.83 0.00 -1.24 -4.96 107.32 100.98 1iwc s GLY 15 Ca -0.04 -1.29 0.27 0.00 0.00 0.00 0.00 44.72 43.67 1iwc s GLY 15 CO 0.11 2.28 1.93 -1.55 0.00 0.00 0.00 173.10 175.87 1iwc n PRO 16 N 4.57 0.46 0.00 2.90 -0.04 -1.24 -4.29 135.00 137.37 1iwc n PRO 16 Ca 0.05 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1iwc n PRO 16 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1iwc n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iwc n GLY 17 N 0.95 -2.75 2.90 0.55 0.00 -1.26 -3.71 105.19 101.87 1iwc n GLY 17 Ca 0.14 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1iwc n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iwc n PRO 18 N -0.39 2.65 -0.16 1.61 -0.04 -1.26 -4.67 135.00 132.74 1iwc n PRO 18 Ca 0.00 -2.55 0.05 0.00 -0.04 0.00 0.00 63.50 60.95 1iwc n PRO 18 Cb 0.00 -3.26 0.13 0.00 -0.04 0.00 0.00 33.50 30.33 1iwc n PRO 18 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1iwc n SER 19 N 6.75 1.63 0.00 3.54 7.64 -1.24 -4.81 113.62 127.13 1iwc n SER 19 Ca 0.51 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 58.37 1iwc n SER 19 Cb 0.40 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1iwc n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iwc n GLY 20 N 0.92 1.07 0.16 0.23 0.00 -1.26 -5.01 105.19 101.29 1iwc n GLY 20 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1iwc n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iwc n ASP 21 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.89 116.55 114.04 1iwc n ASP 21 Ca 0.00 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1iwc n ASP 21 Cb 0.00 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1iwc n ASP 21 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1iwc n MET 22 N 0.00 0.00 -0.53 -0.67 1.56 -1.26 -4.95 117.12 111.27 1iwc n MET 22 Ca 0.00 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.51 1iwc n MET 22 Cb 0.54 0.00 0.29 0.00 2.15 0.00 0.00 33.22 36.21 1iwc n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1iwc n ALA 23 N 0.00 3.07 -0.06 -5.12 0.00 -1.26 -4.55 120.51 112.58 1iwc n ALA 23 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 53.44 51.41 1iwc n ALA 23 Cb 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1iwc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwc h ALA 24 N 2.75 0.26 -0.26 0.00 0.00 -1.92 -1.94 119.26 118.15 1iwc h ALA 24 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1iwc h ALA 24 Cb 1.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1iwc h ALA 24 CO 0.25 0.02 0.06 0.87 0.00 0.00 0.00 179.25 180.45 1iwc h LYS 25 N 0.08 0.42 0.00 0.00 1.79 -2.01 -2.10 116.57 114.75 1iwc h LYS 25 Ca 0.05 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1iwc h LYS 25 Cb 0.46 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1iwc h LYS 25 CO 0.02 0.51 -0.01 0.52 -1.08 0.00 0.00 179.45 179.41 1iwc h MET 26 N 0.25 0.00 0.20 3.15 2.86 -1.83 -2.90 114.93 116.66 1iwc h MET 26 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1iwc h MET 26 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1iwc h MET 26 CO 0.00 0.01 -0.09 0.77 1.06 0.00 0.00 176.91 178.66 1iwc h SER 27 N 0.00 -0.22 -1.31 1.22 0.02 -0.66 -3.24 113.55 109.36 1iwc h SER 27 Ca -0.00 0.01 0.41 0.00 -0.84 0.00 0.00 61.79 61.37 1iwc h SER 27 Cb 0.05 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 62.54 1iwc h SER 27 CO 0.00 0.05 0.85 0.50 -1.14 0.00 0.00 176.83 177.09 1iwc h LYS 28 N -0.68 0.12 -0.20 3.45 1.63 -1.38 0.56 116.57 120.07 1iwc h LYS 28 Ca -0.03 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1iwc h LYS 28 Cb 0.20 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1iwc h LYS 28 CO 0.04 0.08 -0.23 -0.22 -3.45 0.00 0.00 179.45 175.67 1iwc h LYS 29 N 0.13 -0.14 -0.45 1.90 3.64 -1.54 -2.47 116.57 117.64 1iwc h LYS 29 Ca 0.78 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 60.07 1iwc h LYS 29 Cb 2.45 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 34.24 1iwc h LYS 29 CO -0.35 -0.09 0.07 1.17 -2.27 0.00 0.00 179.45 177.97 1iwc n LYS 30 N -3.83 3.15 -0.14 1.90 3.00 -0.48 -4.61 118.16 117.14 1iwc n LYS 30 Ca -0.01 -3.01 -0.07 0.00 -0.00 0.00 0.00 58.31 55.22 1iwc n LYS 30 Cb 0.14 -1.99 0.02 0.00 0.00 0.00 0.00 35.03 33.19 1iwc n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iwc h ALA 31 N 2.11 0.55 0.00 3.14 0.00 0.56 -3.46 119.26 122.16 1iwc h ALA 31 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1iwc h ALA 31 Cb 1.80 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1iwc h ALA 31 CO 0.43 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1iwc n GLY 32 N -1.22 0.80 3.02 0.00 0.00 -1.26 -4.97 105.19 101.56 1iwc n GLY 32 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1iwc n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwc n ARG 33 N -2.00 4.42 0.00 1.61 1.74 -1.26 -5.24 116.66 115.94 1iwc n ARG 33 Ca 0.00 -4.55 0.00 0.00 -0.77 0.00 0.00 57.85 52.53 1iwc n ARG 33 Cb 0.00 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 1iwc n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52