#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 n PRO 13 N 0.00 1.59 -0.04 0.38 -0.02 -1.26 -4.89 135.00 130.76 1s72 n PRO 13 Ca 0.00 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1s72 n PRO 13 Cb 0.00 -2.12 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 1s72 n PRO 13 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1s72 h GLU 14 N 3.51 0.24 -0.66 -0.52 5.08 -2.06 -2.87 114.58 117.31 1s72 h GLU 14 Ca -0.44 -0.12 0.19 0.00 -1.00 0.00 0.00 59.36 58.00 1s72 h GLU 14 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1s72 h GLU 14 CO 0.71 0.63 0.48 0.11 -1.00 0.00 0.00 179.01 179.94 1s72 h TRP 15 N -0.14 0.00 -0.13 4.33 5.08 -1.99 0.60 115.95 123.70 1s72 h TRP 15 Ca 0.02 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.79 1s72 h TRP 15 Cb 0.58 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.74 1s72 h TRP 15 CO 0.08 0.00 -0.73 0.87 -1.28 0.00 0.00 178.44 177.38 1s72 h LYS 16 N 0.00 0.59 -0.46 0.12 1.57 -1.90 -2.11 116.57 114.37 1s72 h LYS 16 Ca 0.32 -0.47 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1s72 h LYS 16 Cb 1.28 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1s72 h LYS 16 CO -0.00 1.09 -0.23 1.96 -0.57 0.00 0.00 179.45 181.70 1s72 h GLN 17 N 0.41 0.96 -0.26 3.15 4.20 0.27 -2.33 115.11 121.52 1s72 h GLN 17 Ca -0.03 -0.41 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 1s72 h GLN 17 Cb 1.32 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1s72 h GLN 17 CO 0.14 1.08 -0.30 0.93 -0.67 0.00 0.00 178.83 180.00 1s72 h GLU 18 N 0.82 0.53 -0.24 1.46 5.08 -0.71 -2.94 114.58 118.58 1s72 h GLU 18 Ca 0.11 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1s72 h GLU 18 Cb 0.80 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1s72 h GLU 18 CO 0.07 0.77 -0.08 1.49 -1.00 0.00 0.00 179.01 180.26 1s72 h GLU 19 N 0.45 0.48 -0.09 2.33 4.57 -1.25 -0.10 114.58 120.97 1s72 h GLU 19 Ca 0.06 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1s72 h GLU 19 Cb 0.76 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1s72 h GLU 19 CO 0.06 0.72 0.12 0.28 -1.18 0.00 0.00 179.01 179.02 1s72 h VAL 20 N 0.21 0.36 0.00 0.32 2.07 -1.34 0.37 116.25 118.24 1s72 h VAL 20 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1s72 h VAL 20 Cb 0.56 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1s72 h VAL 20 CO 0.03 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 178.06 1s72 h ASP 21 N 0.00 0.00 -0.99 0.57 3.32 -1.24 -2.48 116.42 115.60 1s72 h ASP 21 Ca 0.04 -0.25 0.19 0.00 0.02 0.00 0.00 57.03 57.04 1s72 h ASP 21 Cb 0.29 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 1s72 h ASP 21 CO -0.00 0.62 0.61 0.00 -1.72 0.00 0.00 179.24 178.76 1s72 h ALA 22 N -0.75 1.80 -0.18 3.45 0.00 -0.35 0.42 119.26 123.65 1s72 h ALA 22 Ca -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1s72 h ALA 22 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s72 h ALA 22 CO -0.00 -0.15 -0.00 0.82 0.00 0.00 0.00 179.25 179.91 1s72 h ILE 23 N 0.69 1.26 0.00 0.00 2.04 -0.40 -1.78 117.51 119.32 1s72 h ILE 23 Ca 0.56 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1s72 h ILE 23 Cb 0.96 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1s72 h ILE 23 CO -0.33 0.26 -0.20 0.58 0.00 0.00 0.00 178.15 178.46 1s72 h VAL 24 N 0.07 0.87 -0.05 1.67 2.07 -0.54 -0.92 116.25 119.41 1s72 h VAL 24 Ca 0.05 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1s72 h VAL 24 Cb 0.39 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1s72 h VAL 24 CO 0.01 0.19 -0.03 -0.08 0.02 0.00 0.00 177.57 177.68 1s72 h GLU 25 N 0.00 0.11 0.00 1.57 4.81 0.13 0.03 114.58 121.23 1s72 h GLU 25 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1s72 h GLU 25 Cb 0.42 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1s72 h GLU 25 CO 0.03 0.51 -0.16 0.52 -0.73 0.00 0.00 179.01 179.17 1s72 h MET 26 N -0.29 0.00 0.00 1.92 2.86 -1.08 -1.58 114.93 116.77 1s72 h MET 26 Ca 0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1s72 h MET 26 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1s72 h MET 26 CO 0.01 0.16 -0.50 0.82 1.06 0.00 0.00 176.91 178.46 1s72 h ILE 27 N 0.00 0.92 0.05 -1.22 2.04 -0.97 -3.21 117.51 115.11 1s72 h ILE 27 Ca -0.00 -2.10 -0.26 0.00 1.00 0.00 0.00 64.86 63.50 1s72 h ILE 27 Cb 0.60 2.31 0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1s72 h ILE 27 CO 0.02 0.49 -1.08 -0.33 0.00 0.00 0.00 178.15 177.25 1s72 h GLU 28 N 0.00 0.53 0.00 2.37 5.08 -0.04 -3.50 114.58 119.01 1s72 h GLU 28 Ca -0.00 -0.63 -0.29 0.00 -1.00 0.00 0.00 59.36 57.44 1s72 h GLU 28 Cb 1.27 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 1s72 h GLU 28 CO 0.06 1.25 -2.08 -1.13 -1.00 0.00 0.00 179.01 176.11 1s72 n SER 29 N -3.76 1.80 0.00 1.42 3.41 -0.81 -5.10 113.62 110.59 1s72 n SER 29 Ca -0.10 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1s72 n SER 29 Cb 0.91 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1s72 n SER 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s72 n ARG 63 N -2.80 0.00 -0.09 4.33 1.74 -1.26 -5.05 116.66 113.53 1s72 n ARG 63 Ca -0.29 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.67 1s72 n ARG 63 Cb 0.94 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.34 1s72 n ARG 63 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1s72 h ASN 64 N 0.00 0.47 -0.61 0.55 -0.26 -2.05 -2.54 115.58 111.14 1s72 h ASN 64 Ca 0.00 -0.30 0.07 0.00 -0.56 0.00 0.00 56.30 55.51 1s72 h ASN 64 Cb 0.00 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.10 1s72 h ASN 64 CO 0.00 0.65 0.41 0.71 -1.06 0.00 0.00 177.43 178.14 1s72 h THR 65 N 0.27 0.98 -0.00 2.81 1.35 -2.04 0.35 112.91 116.62 1s72 h THR 65 Ca 0.08 -0.20 -0.15 0.00 -0.55 0.00 0.00 66.41 65.60 1s72 h THR 65 Cb 0.41 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.17 1s72 h THR 65 CO 0.01 0.10 -0.69 -0.07 -0.25 0.00 0.00 175.52 174.63 1s72 h LEU 66 N 0.57 0.02 -0.01 3.87 3.38 -1.95 -0.12 115.31 121.08 1s72 h LEU 66 Ca 0.27 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1s72 h LEU 66 Cb 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1s72 h LEU 66 CO -0.08 0.71 -0.17 -0.07 0.09 0.00 0.00 178.44 178.91 1s72 h LEU 67 N 0.01 0.17 -2.02 1.67 3.38 -0.66 -1.94 115.31 115.92 1s72 h LEU 67 Ca -0.01 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 57.24 1s72 h LEU 67 Cb 1.22 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1s72 h LEU 67 CO 0.09 0.89 0.06 -0.33 0.09 0.00 0.00 178.44 179.24 1s72 h GLU 68 N -0.53 0.00 0.61 1.13 5.08 -0.37 0.41 114.58 120.92 1s72 h GLU 68 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1s72 h GLU 68 Cb 0.91 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1s72 h GLU 68 CO 0.03 0.00 -0.30 -0.09 -1.00 0.00 0.00 179.01 177.66 1s72 h ARG 69 N 0.00 -0.80 -0.55 2.33 9.65 -0.88 -1.62 114.38 122.51 1s72 h ARG 69 Ca 0.04 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 1s72 h ARG 69 Cb 0.16 0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 28.86 1s72 h ARG 69 CO -0.00 -0.48 0.23 0.00 2.80 0.00 0.00 179.97 182.52 1s72 h ALA 70 N -0.79 0.70 -0.76 2.80 0.00 -0.52 -1.11 119.26 119.58 1s72 h ALA 70 Ca -0.08 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1s72 h ALA 70 Cb 0.68 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1s72 h ALA 70 CO 0.14 -0.16 0.42 -0.07 0.00 0.00 0.00 179.25 179.58 1s72 h LEU 71 N 0.43 0.62 0.00 0.00 3.38 -0.91 0.35 115.31 119.18 1s72 h LEU 71 Ca 0.27 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1s72 h LEU 71 Cb 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1s72 h LEU 71 CO -0.24 0.37 0.00 0.47 0.09 0.00 0.00 178.44 179.13 1s72 n ASP 72 N -4.76 0.00 -0.51 -0.43 8.00 -0.43 -5.10 116.55 113.32 1s72 n ASP 72 Ca 0.11 0.35 0.06 0.00 0.71 0.00 0.00 54.79 56.02 1s72 n ASP 72 Cb 0.23 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1s72 n ASP 72 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28