#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1par n LYS 2 N 0.00 2.78 0.00 2.12 4.76 -1.26 -4.23 118.16 122.33 1par n LYS 2 Ca 0.00 -3.00 0.00 0.00 -2.87 0.00 0.00 58.31 52.44 1par n LYS 2 Cb 0.00 -3.51 0.00 0.00 -1.84 0.00 0.00 35.03 29.68 1par n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1par n GLY 3 N 5.31 -0.15 1.49 0.72 0.00 -1.26 -5.05 105.19 106.25 1par n GLY 3 Ca 0.48 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1par n GLY 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1par n MET 4 N 0.00 3.41 -0.04 1.61 2.81 -1.26 -3.30 117.12 120.35 1par n MET 4 Ca 0.00 -2.81 -0.06 0.00 -1.81 0.00 0.00 57.70 53.03 1par n MET 4 Cb 0.00 -1.78 -0.02 0.00 -0.71 0.00 0.00 33.22 30.71 1par n MET 4 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1par n SER 5 N 1.25 1.59 -0.10 7.83 7.64 -1.26 -4.64 113.62 125.92 1par n SER 5 Ca 0.25 0.25 -0.06 0.00 1.01 0.00 0.00 58.87 60.33 1par n SER 5 Cb 0.80 -0.59 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1par n SER 5 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1par h LYS 6 N -0.63 0.14 -6.89 1.43 1.57 -2.00 -3.45 116.57 106.74 1par h LYS 6 Ca 0.00 -0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 1par h LYS 6 Cb 0.63 -0.03 0.14 0.00 0.08 0.00 0.00 32.23 33.05 1par h LYS 6 CO 0.00 0.09 0.41 -1.33 -0.57 0.00 0.00 179.45 178.05 1par n MET 7 N -5.14 1.52 -2.34 3.15 2.81 -1.21 -4.99 117.12 110.92 1par n MET 7 Ca 0.02 0.55 -0.31 0.00 -1.81 0.00 0.00 57.70 56.15 1par n MET 7 Cb 0.17 -2.36 -0.02 0.00 -0.71 0.00 0.00 33.22 30.30 1par n MET 7 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1par s PRO 8 N -2.58 3.81 0.40 0.03 0.04 -1.26 -4.94 135.00 130.50 1par s PRO 8 Ca 0.69 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1par s PRO 8 Cb -0.46 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1par s PRO 8 CO 0.52 -0.31 0.61 -0.65 0.04 0.00 0.00 177.00 177.20 1par s GLN 9 N -4.37 3.19 -0.12 4.56 -0.21 -1.26 -5.10 119.66 116.36 1par s GLN 9 Ca 0.56 -0.52 -0.04 0.00 0.02 0.00 0.00 55.36 55.39 1par s GLN 9 Cb -0.10 -2.63 0.06 0.00 1.00 0.00 0.00 33.01 31.34 1par s GLN 9 CO 0.38 -0.10 0.14 0.12 -2.12 0.00 0.00 175.29 173.71 1par s PHE 10 N -2.43 -0.06 -0.51 0.91 5.36 -1.26 -5.11 117.98 114.88 1par s PHE 10 Ca 0.45 0.22 -0.29 0.00 -0.96 0.00 0.00 56.93 56.35 1par s PHE 10 Cb -0.10 -0.44 0.03 0.00 -0.34 0.00 0.00 43.02 42.17 1par s PHE 10 CO 0.36 -0.39 1.21 1.21 -1.46 0.00 0.00 175.22 176.15 1par s ASN 11 N 2.24 6.50 0.22 6.13 3.04 -1.26 -5.01 114.94 126.80 1par s ASN 11 Ca 0.04 0.39 -0.10 0.00 0.04 0.00 0.00 52.86 53.23 1par s ASN 11 Cb -0.14 -2.55 -0.07 0.00 -1.54 0.00 0.00 41.25 36.95 1par s ASN 11 CO -0.07 -1.38 0.55 -0.76 -3.04 0.00 0.00 177.10 172.39 1par s LEU 12 N 4.86 4.18 -0.27 3.21 1.02 -1.26 -5.08 118.68 125.34 1par s LEU 12 Ca 0.49 0.92 -0.04 0.00 0.02 0.00 0.00 54.13 55.53 1par s LEU 12 Cb -0.08 -3.66 0.10 0.00 0.02 0.00 0.00 46.19 42.57 1par s LEU 12 CO 0.30 -0.06 0.16 -0.13 0.02 0.00 0.00 176.35 176.63 1par s ARG 13 N -2.77 0.20 0.35 1.70 0.52 -1.26 -5.13 118.95 112.56 1par s ARG 13 Ca 0.47 -0.35 0.06 0.00 -0.52 0.00 0.00 55.73 55.39 1par s ARG 13 Cb -0.11 -1.17 -0.07 0.00 0.52 0.00 0.00 34.95 34.12 1par s ARG 13 CO 0.21 -0.95 0.00 -1.58 0.02 0.00 0.00 175.30 173.00 1par s TRP 14 N 2.17 2.24 0.07 -0.53 0.51 -1.26 -5.11 118.94 117.03 1par s TRP 14 Ca 0.08 -0.74 -0.31 0.00 -2.12 0.00 0.00 56.10 53.01 1par s TRP 14 Cb -0.16 -1.47 -0.06 0.00 -0.81 0.00 0.00 33.47 30.97 1par s TRP 14 CO -0.31 0.30 1.27 -1.25 -0.51 0.00 0.00 176.95 176.45 1par s PRO 15 N -3.76 4.38 0.30 4.98 0.04 -1.26 -4.87 135.00 134.82 1par s PRO 15 Ca 0.34 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.36 1par s PRO 15 Cb 0.08 -3.34 0.95 0.00 0.04 0.00 0.00 34.50 32.22 1par s PRO 15 CO 0.16 -0.35 1.38 -2.13 0.04 0.00 0.00 177.00 176.11 1par n ARG 16 N 4.11 -0.06 0.12 4.56 0.63 -1.26 -0.66 116.66 124.10 1par n ARG 16 Ca 0.10 1.26 -0.15 0.00 -0.92 0.00 0.00 57.85 58.14 1par n ARG 16 Cb 0.45 -2.14 -0.08 0.00 0.45 0.00 0.00 32.46 31.14 1par n ARG 16 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1par h GLU 17 N 0.00 -0.68 -0.18 -0.14 4.81 -2.00 -1.45 114.58 114.94 1par h GLU 17 Ca 0.65 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.97 1par h GLU 17 Cb 1.57 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 31.06 1par h GLU 17 CO -0.74 -0.46 -0.12 0.28 -0.73 0.00 0.00 179.01 177.24 1par h VAL 18 N -0.71 0.65 -0.73 0.32 2.07 -1.27 -2.04 116.25 114.55 1par h VAL 18 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1par h VAL 18 Cb 0.72 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1par h VAL 18 CO -0.25 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 177.74 1par h LEU 19 N -0.12 0.84 -0.28 2.57 3.38 -1.33 0.32 115.31 120.68 1par h LEU 19 Ca 0.11 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1par h LEU 19 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1par h LEU 19 CO -0.25 0.61 -0.23 0.44 0.09 0.00 0.00 178.44 179.10 1par h ASP 20 N 0.99 0.70 -0.43 -0.43 3.45 -0.86 0.12 116.42 119.95 1par h ASP 20 Ca 0.27 -0.45 0.07 0.00 0.43 0.00 0.00 57.03 57.34 1par h ASP 20 Cb -0.11 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.41 1par h ASP 20 CO -0.06 1.00 0.09 0.25 -1.57 0.00 0.00 179.24 178.96 1par h LEU 21 N 0.40 0.03 -0.81 1.55 6.46 -1.03 0.26 115.31 122.15 1par h LEU 21 Ca 0.05 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 1par h LEU 21 Cb 0.79 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.74 1par h LEU 21 CO 0.06 0.05 0.48 0.58 -0.62 0.00 0.00 178.44 178.99 1par h VAL 22 N 0.23 0.99 -0.10 1.05 2.07 -0.15 -1.80 116.25 118.54 1par h VAL 22 Ca 0.21 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1par h VAL 22 Cb 0.25 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1par h VAL 22 CO -0.26 0.16 0.02 0.03 0.02 0.00 0.00 177.57 177.54 1par h ARG 23 N 0.87 0.16 0.06 1.57 3.08 0.14 -0.46 114.38 119.79 1par h ARG 23 Ca 0.36 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.38 1par h ARG 23 Cb 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1par h ARG 23 CO -0.19 0.35 -0.29 -0.22 -1.07 0.00 0.00 179.97 178.55 1par h LYS 24 N -0.06 -0.39 -0.98 0.04 3.64 -0.36 -0.58 116.57 117.88 1par h LYS 24 Ca 0.03 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.62 1par h LYS 24 Cb 0.27 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1par h LYS 24 CO 0.00 -0.26 0.61 0.28 -2.27 0.00 0.00 179.45 177.81 1par h VAL 25 N -0.41 0.72 -0.12 2.00 2.07 -1.33 0.33 116.25 119.52 1par h VAL 25 Ca -0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1par h VAL 25 Cb 0.41 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1par h VAL 25 CO -0.16 0.13 0.06 0.00 0.02 0.00 0.00 177.57 177.61 1par h ALA 26 N 1.62 0.15 -0.89 1.67 0.00 -0.63 -2.01 119.26 119.18 1par h ALA 26 Ca 0.54 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.54 1par h ALA 26 Cb 0.93 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1par h ALA 26 CO -0.31 -0.29 0.47 1.49 0.00 0.00 0.00 179.25 180.61 1par h GLU 27 N 0.06 0.59 -0.00 0.00 4.81 0.12 0.26 114.58 120.42 1par h GLU 27 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1par h GLU 27 Cb 0.12 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1par h GLU 27 CO -0.00 0.39 -0.06 -0.85 -0.73 0.00 0.00 179.01 177.76 1par n GLU 28 N -4.88 0.93 -0.03 1.92 0.28 -0.59 -3.39 120.64 114.88 1par n GLU 28 Ca 0.19 -0.30 0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1par n GLU 28 Cb 0.50 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 1par n GLU 28 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1par n ASN 29 N -0.77 0.74 -0.82 -1.84 3.02 0.78 -5.03 115.26 111.33 1par n ASN 29 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1par n ASN 29 Cb 0.25 1.65 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 1par n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1par n GLY 30 N 1.55 0.52 3.50 7.41 0.00 -0.47 -5.09 105.19 112.61 1par n GLY 30 Ca -0.09 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1par n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1par s ARG 31 N -3.54 1.35 1.00 1.61 1.70 -1.22 -5.09 118.95 114.76 1par s ARG 31 Ca 0.00 -0.94 -0.12 0.00 -0.47 0.00 0.00 55.73 54.20 1par s ARG 31 Cb 0.00 0.49 0.19 0.00 -0.57 0.00 0.00 34.95 35.06 1par s ARG 31 CO 0.00 -0.56 1.08 -1.54 -1.08 0.00 0.00 175.30 173.20 1par s SER 32 N -2.90 2.58 0.30 -2.89 1.04 -1.26 -4.46 113.70 106.12 1par s SER 32 Ca 0.11 1.38 0.03 0.00 0.48 0.00 0.00 55.95 57.95 1par s SER 32 Cb -0.00 -2.06 0.49 0.00 0.10 0.00 0.00 66.02 64.54 1par s SER 32 CO -0.02 -3.18 1.79 0.58 0.98 0.00 0.00 173.24 173.39 1par h VAL 33 N -1.93 1.23 -0.73 5.02 2.07 -1.95 -2.28 116.25 117.68 1par h VAL 33 Ca -0.54 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.02 1par h VAL 33 Cb 1.31 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 1par h VAL 33 CO 0.55 0.34 0.41 -1.13 0.02 0.00 0.00 177.57 177.76 1par h ASN 34 N 0.48 0.61 0.24 0.57 -1.24 -2.01 -2.08 115.58 112.16 1par h ASN 34 Ca 0.09 0.03 -0.26 0.00 0.71 0.00 0.00 56.30 56.87 1par h ASN 34 Cb 0.50 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.48 1par h ASN 34 CO 0.03 0.38 -1.09 0.28 -1.29 0.00 0.00 177.43 175.74 1par h SER 35 N 0.74 0.70 0.03 1.15 0.02 -1.86 -2.93 113.55 111.40 1par h SER 35 Ca 0.34 -0.60 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1par h SER 35 Cb 0.24 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1par h SER 35 CO -0.20 1.42 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.73 1par h GLU 36 N 0.26 -0.16 -0.53 3.45 4.57 -1.10 0.41 114.58 121.47 1par h GLU 36 Ca -0.13 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1par h GLU 36 Cb 1.75 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.34 1par h GLU 36 CO 0.20 -0.11 0.34 0.82 -1.18 0.00 0.00 179.01 179.08 1par h ILE 37 N -0.17 1.10 0.10 2.32 2.04 -1.48 -1.95 117.51 119.46 1par h ILE 37 Ca 0.03 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1par h ILE 37 Cb 0.20 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1par h ILE 37 CO -0.07 0.12 -0.39 0.22 0.00 0.00 0.00 178.15 178.03 1par h TYR 38 N 0.68 -1.08 -0.89 1.37 3.20 -1.25 0.28 116.97 119.27 1par h TYR 38 Ca 0.20 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.21 1par h TYR 38 Cb -0.03 0.46 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 1par h TYR 38 CO -0.05 -0.49 0.57 0.37 -1.64 0.00 0.00 178.16 176.93 1par h GLN 39 N -0.61 0.81 -0.02 1.82 5.75 -0.09 0.66 115.11 123.44 1par h GLN 39 Ca 0.03 -0.05 -0.24 0.00 -0.15 0.00 0.00 58.65 58.24 1par h GLN 39 Cb 0.65 -0.18 0.01 0.00 1.07 0.00 0.00 27.48 29.02 1par h GLN 39 CO -0.24 0.54 -0.96 0.00 -2.65 0.00 0.00 178.83 175.51 1par h ARG 40 N 0.84 0.57 0.35 1.69 3.08 -0.54 -1.79 114.38 118.58 1par h ARG 40 Ca 0.42 -0.59 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1par h ARG 40 Cb 0.48 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1par h ARG 40 CO -0.19 1.21 -0.17 0.28 -1.07 0.00 0.00 179.97 180.03 1par h VAL 41 N 0.33 0.66 -0.91 2.04 2.07 -0.61 -2.86 116.25 116.97 1par h VAL 41 Ca -0.10 -0.35 0.14 0.00 0.82 0.00 0.00 66.70 67.21 1par h VAL 41 Cb 1.60 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1par h VAL 41 CO 0.18 0.07 0.58 0.24 0.02 0.00 0.00 177.57 178.66 1par h MET 42 N -0.68 0.73 -0.64 1.57 2.86 -0.93 -0.06 114.93 117.78 1par h MET 42 Ca -0.05 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1par h MET 42 Cb 0.48 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1par h MET 42 CO 0.08 0.48 0.40 1.49 1.06 0.00 0.00 176.91 180.43 1par h GLU 43 N 0.75 0.78 -0.13 1.72 4.81 -1.29 0.05 114.58 121.28 1par h GLU 43 Ca 0.45 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.54 1par h GLU 43 Cb 0.66 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1par h GLU 43 CO -0.21 0.51 -0.36 0.66 -0.73 0.00 0.00 179.01 178.88 1par h SER 44 N 0.80 0.26 -0.10 1.04 4.64 -0.81 -1.92 113.55 117.47 1par h SER 44 Ca 0.25 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 1par h SER 44 Cb -0.01 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1par h SER 44 CO -0.09 0.61 -0.39 -0.26 -0.87 0.00 0.00 176.83 175.83 1par h PHE 45 N 0.22 0.73 -0.59 4.77 -1.00 -0.48 -2.84 116.94 117.76 1par h PHE 45 Ca 0.03 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 60.57 1par h PHE 45 Cb 0.74 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.11 1par h PHE 45 CO 0.01 0.91 0.28 -0.22 -1.61 0.00 0.00 178.31 177.69 1par h LYS 46 N 0.51 0.85 -0.61 1.51 3.64 -0.28 -1.36 116.57 120.83 1par h LYS 46 Ca 0.05 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1par h LYS 46 Cb 0.90 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1par h LYS 46 CO 0.08 0.69 0.17 0.87 -2.27 0.00 0.00 179.45 179.00 1par h LYS 47 N 0.81 0.93 0.00 1.90 1.57 -1.31 -2.10 116.57 118.38 1par h LYS 47 Ca 0.20 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1par h LYS 47 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1par h LYS 47 CO -0.02 0.82 0.00 0.39 -0.57 0.00 0.00 179.45 180.06 1par n GLU 48 N -4.27 0.16 -1.65 3.15 1.02 -1.08 -4.91 120.64 113.06 1par n GLU 48 Ca 0.05 0.29 -0.02 0.00 -0.02 0.00 0.00 57.16 57.45 1par n GLU 48 Cb 0.22 -1.75 -0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1par n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1par n GLY 49 N 0.54 0.39 0.05 0.62 0.00 -0.79 -4.94 105.19 101.05 1par n GLY 49 Ca 0.04 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1par n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1par n ARG 50 N -1.92 0.18 -3.79 1.61 1.74 -0.57 -4.92 116.66 109.00 1par n ARG 50 Ca -0.03 0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 57.03 1par n ARG 50 Cb 0.34 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 1par n ARG 50 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1par s ILE 51 N -3.09 0.10 0.00 0.55 1.01 -1.25 -5.02 121.20 113.50 1par s ILE 51 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1par s ILE 51 Cb 0.15 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1par s ILE 51 CO 0.67 -0.47 0.32 0.61 0.00 0.00 0.00 174.94 176.07