#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1par s LYS 2 N 0.00 4.38 0.00 2.12 -2.85 -1.26 -3.56 119.74 118.58 1par s LYS 2 Ca 0.00 1.25 0.00 0.00 -1.00 0.00 0.00 55.97 56.22 1par s LYS 2 Cb 0.00 -2.50 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 1par s LYS 2 CO 0.00 0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.96 1par n GLY 3 N 0.01 1.35 0.40 0.59 0.00 -1.26 -4.87 105.19 101.42 1par n GLY 3 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.26 1par n GLY 3 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1par h MET 4 N 2.46 0.39 -0.17 1.61 1.85 -1.98 -2.35 114.93 116.74 1par h MET 4 Ca 0.00 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.12 1par h MET 4 Cb 0.00 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 31.93 1par h MET 4 CO 0.00 0.26 0.17 0.66 -0.40 0.00 0.00 176.91 177.60 1par h SER 5 N 0.41 0.00 -0.18 1.39 4.64 -1.89 -2.19 113.55 115.72 1par h SER 5 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1par h SER 5 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1par h SER 5 CO -0.20 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.05 1par n LYS 6 N -4.00 2.45 -2.98 4.77 5.02 -0.88 -5.03 118.16 117.50 1par n LYS 6 Ca 0.01 -2.62 -0.32 0.00 -2.02 0.00 0.00 58.31 53.36 1par n LYS 6 Cb 0.29 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1par n LYS 6 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1par s MET 7 N -2.57 3.96 0.69 1.97 -1.94 -0.83 -5.03 119.30 115.55 1par s MET 7 Ca 0.35 0.67 -0.17 0.00 -1.71 0.00 0.00 55.69 54.84 1par s MET 7 Cb 0.28 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 1par s MET 7 CO 0.07 0.06 0.71 -0.35 -0.01 0.00 0.00 175.02 175.51 1par n PRO 8 N -0.73 0.46 -4.37 2.03 -0.04 -1.26 -5.00 135.00 126.09 1par n PRO 8 Ca 0.04 0.20 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 1par n PRO 8 Cb 0.53 -1.97 -0.10 0.00 -0.04 0.00 0.00 33.50 31.92 1par n PRO 8 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1par s GLN 9 N -2.85 1.39 -0.15 0.54 -2.07 -1.26 -5.14 119.66 110.13 1par s GLN 9 Ca 0.70 -1.61 -0.06 0.00 -1.82 0.00 0.00 55.36 52.57 1par s GLN 9 Cb -0.37 -1.27 0.07 0.00 -1.09 0.00 0.00 33.01 30.34 1par s GLN 9 CO 0.54 0.22 0.33 0.12 -1.32 0.00 0.00 175.29 175.18 1par s PHE 10 N -2.78 -0.53 -0.09 9.60 5.36 -1.26 -5.14 117.98 123.14 1par s PHE 10 Ca 0.23 1.13 -0.20 0.00 -0.96 0.00 0.00 56.93 57.14 1par s PHE 10 Cb -0.02 0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.75 1par s PHE 10 CO 0.08 -0.35 0.54 -0.80 -1.46 0.00 0.00 175.22 173.24 1par s ASN 11 N 1.96 6.79 0.15 6.13 -0.87 -1.26 -5.05 114.94 122.78 1par s ASN 11 Ca -0.04 0.95 -0.22 0.00 -1.57 0.00 0.00 52.86 51.97 1par s ASN 11 Cb -0.11 -2.33 -0.08 0.00 -0.02 0.00 0.00 41.25 38.72 1par s ASN 11 CO -0.11 -0.02 0.69 -0.76 -2.57 0.00 0.00 177.10 174.34 1par s LEU 12 N 0.57 4.51 -0.48 0.60 1.02 -1.26 -5.04 118.68 118.60 1par s LEU 12 Ca 0.29 1.45 0.03 0.00 0.02 0.00 0.00 54.13 55.93 1par s LEU 12 Cb -0.16 -3.22 0.13 0.00 0.02 0.00 0.00 46.19 42.96 1par s LEU 12 CO 0.13 0.19 0.26 -0.13 0.02 0.00 0.00 176.35 176.82 1par s ARG 13 N -1.33 1.64 0.37 1.70 0.52 -1.26 -5.10 118.95 115.49 1par s ARG 13 Ca 0.35 -2.34 0.07 0.00 -0.52 0.00 0.00 55.73 53.30 1par s ARG 13 Cb -0.20 -2.82 -0.07 0.00 0.52 0.00 0.00 34.95 32.38 1par s ARG 13 CO 0.23 -1.14 -0.02 -1.58 0.02 0.00 0.00 175.30 172.80 1par s TRP 14 N -0.00 2.38 0.32 -0.53 0.51 -1.26 -5.12 118.94 115.24 1par s TRP 14 Ca 0.18 -0.66 -0.29 0.00 -2.12 0.00 0.00 56.10 53.21 1par s TRP 14 Cb -0.24 -1.56 -0.10 0.00 -0.81 0.00 0.00 33.47 30.75 1par s TRP 14 CO -0.01 0.43 1.36 -2.14 -0.51 0.00 0.00 176.95 176.09 1par s PRO 15 N -3.70 4.30 0.26 4.98 0.02 -1.26 -4.89 135.00 134.71 1par s PRO 15 Ca 0.34 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.63 1par s PRO 15 Cb 0.07 -3.07 0.53 0.00 0.02 0.00 0.00 34.50 32.06 1par s PRO 15 CO 0.17 -0.29 1.76 0.00 -0.33 0.00 0.00 177.00 178.30 1par h ARG 16 N 3.76 0.59 -0.56 5.54 3.08 -1.99 -2.66 114.38 122.13 1par h ARG 16 Ca -0.48 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.57 1par h ARG 16 Cb 1.23 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 1par h ARG 16 CO 0.68 0.39 0.31 1.05 -1.07 0.00 0.00 179.97 181.34 1par h GLU 17 N 0.60 0.59 -0.30 0.04 9.09 -1.99 0.61 114.58 123.22 1par h GLU 17 Ca 0.46 -0.04 -0.16 0.00 0.05 0.00 0.00 59.36 59.67 1par h GLU 17 Cb 0.67 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1par h GLU 17 CO -0.37 0.39 -0.46 -0.39 0.05 0.00 0.00 179.01 178.23 1par h VAL 18 N 0.61 1.28 -0.78 -1.06 -1.51 -1.87 -2.01 116.25 110.92 1par h VAL 18 Ca 0.24 -1.65 0.07 0.00 -1.23 0.00 0.00 66.70 64.13 1par h VAL 18 Cb 0.10 1.54 -0.06 0.00 -2.13 0.00 0.00 31.29 30.74 1par h VAL 18 CO -0.14 0.54 0.45 -0.07 -1.23 0.00 0.00 177.57 177.12 1par h LEU 19 N 0.64 0.68 -0.58 4.19 3.38 -1.12 0.31 115.31 122.80 1par h LEU 19 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1par h LEU 19 Cb 1.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1par h LEU 19 CO 0.10 0.42 0.37 0.44 0.09 0.00 0.00 178.44 179.86 1par h ASP 20 N 0.81 0.61 -0.81 -0.43 3.45 -0.61 0.25 116.42 119.68 1par h ASP 20 Ca 0.35 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.80 1par h ASP 20 Cb 0.23 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.83 1par h ASP 20 CO -0.20 0.43 0.49 0.25 -1.57 0.00 0.00 179.24 178.64 1par h LEU 21 N 0.73 0.98 -0.63 1.55 5.85 -0.42 -0.71 115.31 122.67 1par h LEU 21 Ca 0.23 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1par h LEU 21 Cb -0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1par h LEU 21 CO -0.08 0.76 0.23 0.58 -0.34 0.00 0.00 178.44 179.59 1par h VAL 22 N 1.13 1.24 -0.70 1.05 2.07 0.76 -1.48 116.25 120.32 1par h VAL 22 Ca 0.29 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1par h VAL 22 Cb -0.04 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1par h VAL 22 CO -0.05 0.30 0.35 0.03 0.02 0.00 0.00 177.57 178.21 1par h ARG 23 N 0.89 0.98 -0.17 1.57 3.08 0.82 -0.72 114.38 120.82 1par h ARG 23 Ca 0.21 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1par h ARG 23 Cb 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1par h ARG 23 CO -0.01 0.75 0.00 0.87 -1.07 0.00 0.00 179.97 180.51 1par h LYS 24 N 0.98 0.31 -0.95 0.04 1.57 -0.67 -2.61 116.57 115.23 1par h LYS 24 Ca 0.24 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1par h LYS 24 Cb 0.08 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1par h LYS 24 CO -0.03 0.52 0.63 0.28 -0.57 0.00 0.00 179.45 180.27 1par h VAL 25 N 0.06 1.23 -0.13 0.50 2.07 -0.90 -2.57 116.25 116.50 1par h VAL 25 Ca 0.05 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1par h VAL 25 Cb 0.38 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1par h VAL 25 CO 0.01 0.23 0.08 0.00 0.02 0.00 0.00 177.57 177.91 1par h ALA 26 N 1.36 0.17 -0.13 1.67 0.00 -1.09 -2.04 119.26 119.19 1par h ALA 26 Ca 0.35 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1par h ALA 26 Cb -0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1par h ALA 26 CO -0.08 -0.33 -0.31 1.49 0.00 0.00 0.00 179.25 180.01 1par h GLU 27 N 0.16 -0.37 -0.15 0.00 4.81 -1.25 0.23 114.58 118.00 1par h GLU 27 Ca 0.05 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1par h GLU 27 Cb 0.01 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1par h GLU 27 CO -0.01 -0.25 -0.21 1.05 -0.73 0.00 0.00 179.01 178.87 1par h GLU 28 N -0.38 0.27 -0.00 1.92 4.11 -1.35 -1.58 114.58 117.55 1par h GLU 28 Ca 0.10 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1par h GLU 28 Cb 0.54 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1par h GLU 28 CO -0.35 0.47 -0.10 0.09 0.07 0.00 0.00 179.01 179.19 1par n ASN 29 N -4.20 0.17 -0.65 3.06 3.02 -0.78 -4.94 115.26 110.95 1par n ASN 29 Ca -0.01 0.03 -0.02 0.00 -0.03 0.00 0.00 54.58 54.55 1par n ASN 29 Cb 0.33 -0.25 0.01 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.41 0.67 3.49 7.41 0.00 0.58 -5.05 105.19 113.70 1par n GLY 30 Ca 0.10 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1par n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1par s ARG 31 N -4.85 1.78 0.52 1.61 0.52 0.09 -5.01 118.95 113.61 1par s ARG 31 Ca 0.04 -2.03 -0.17 0.00 -0.52 0.00 0.00 55.73 53.05 1par s ARG 31 Cb -0.02 -0.84 -0.07 0.00 0.52 0.00 0.00 34.95 34.53 1par s ARG 31 CO 0.05 -0.29 1.00 -1.54 0.02 0.00 0.00 175.30 174.55 1par s SER 32 N -3.55 6.43 0.25 0.23 1.04 -1.26 -4.14 113.70 112.69 1par s SER 32 Ca 0.31 1.67 -0.05 0.00 0.48 0.00 0.00 55.95 58.35 1par s SER 32 Cb 0.06 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.97 1par s SER 32 CO 0.14 -0.72 1.89 0.58 0.98 0.00 0.00 173.24 176.11 1par h VAL 33 N 0.96 1.14 -0.93 5.02 2.07 -1.92 -1.26 116.25 121.32 1par h VAL 33 Ca -0.47 -0.39 0.25 0.00 0.82 0.00 0.00 66.70 66.91 1par h VAL 33 Cb 1.20 -0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 1par h VAL 33 CO 0.60 0.21 0.40 -1.13 0.02 0.00 0.00 177.57 177.67 1par h ASN 34 N 1.14 0.29 0.95 0.57 -1.24 -2.00 0.14 115.58 115.43 1par h ASN 34 Ca 0.38 0.18 -0.12 0.00 0.71 0.00 0.00 56.30 57.44 1par h ASN 34 Cb 0.04 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1par h ASN 34 CO -0.13 -0.08 -1.12 0.28 -1.29 0.00 0.00 177.43 175.09 1par h SER 35 N 0.33 0.00 -0.34 1.15 0.02 -1.70 -2.79 113.55 110.22 1par h SER 35 Ca 0.61 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.41 1par h SER 35 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1par h SER 35 CO -0.59 0.44 -0.37 -0.08 -1.14 0.00 0.00 176.83 175.09 1par h GLU 36 N 0.00 0.84 -0.29 3.45 4.57 0.34 -1.41 114.58 122.08 1par h GLU 36 Ca -0.10 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 57.55 1par h GLU 36 Cb 1.42 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 1par h GLU 36 CO 0.04 1.10 -0.11 0.82 -1.18 0.00 0.00 179.01 179.68 1par h ILE 37 N 0.63 1.29 -0.43 2.32 2.04 -1.39 -2.77 117.51 119.20 1par h ILE 37 Ca 0.05 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.74 1par h ILE 37 Cb 0.96 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1par h ILE 37 CO 0.09 0.38 0.26 0.22 0.00 0.00 0.00 178.15 179.10 1par h TYR 38 N 0.34 0.49 -0.39 1.37 3.20 -1.44 -0.72 116.97 119.83 1par h TYR 38 Ca 0.07 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1par h TYR 38 Cb 0.62 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1par h TYR 38 CO 0.06 0.30 0.13 1.96 -1.64 0.00 0.00 178.16 178.96 1par h GLN 39 N 0.53 0.55 -0.16 1.82 1.08 -1.23 -0.65 115.11 117.05 1par h GLN 39 Ca 0.17 -0.08 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 1par h GLN 39 Cb -0.02 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1par h GLN 39 CO -0.06 0.48 -0.39 0.00 -0.95 0.00 0.00 178.83 177.91 1par h ARG 40 N 0.55 0.54 -0.12 1.46 3.08 -0.99 -1.96 114.38 116.93 1par h ARG 40 Ca 0.13 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1par h ARG 40 Cb 0.15 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1par h ARG 40 CO -0.01 0.99 -0.01 0.28 -1.07 0.00 0.00 179.97 180.14 1par h VAL 41 N 0.17 0.90 -0.71 2.04 2.07 -0.99 -2.21 116.25 117.52 1par h VAL 41 Ca -0.00 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1par h VAL 41 Cb 1.00 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 1par h VAL 41 CO 0.08 0.00 0.35 0.24 0.02 0.00 0.00 177.57 178.27 1par h MET 42 N 0.02 0.57 -0.91 1.57 2.86 -1.08 -0.30 114.93 117.66 1par h MET 42 Ca 0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1par h MET 42 Cb 0.08 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1par h MET 42 CO -0.11 0.38 0.55 1.49 1.06 0.00 0.00 176.91 180.28 1par h GLU 43 N 0.59 1.22 -0.31 1.72 4.81 -0.99 0.22 114.58 121.85 1par h GLU 43 Ca 0.35 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1par h GLU 43 Cb 0.37 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1par h GLU 43 CO -0.27 0.85 0.01 0.66 -0.73 0.00 0.00 179.01 179.53 1par h SER 44 N 1.25 0.44 -0.17 1.04 4.64 -0.47 0.10 113.55 120.37 1par h SER 44 Ca 0.33 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 1par h SER 44 Cb -0.06 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1par h SER 44 CO -0.06 0.50 -0.50 -0.26 -0.87 0.00 0.00 176.83 175.63 1par h PHE 45 N 0.46 0.84 -0.96 4.77 0.04 -0.54 -2.39 116.94 119.16 1par h PHE 45 Ca 0.10 -0.33 0.19 0.00 2.80 0.00 0.00 57.97 60.73 1par h PHE 45 Cb 0.28 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.20 1par h PHE 45 CO 0.01 1.12 0.61 -0.22 -0.60 0.00 0.00 178.31 179.22 1par h LYS 46 N 0.32 0.61 0.00 1.51 3.64 0.43 0.12 116.57 123.20 1par h LYS 46 Ca -0.01 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1par h LYS 46 Cb 1.12 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1par h LYS 46 CO 0.11 0.41 -0.60 0.87 -2.27 0.00 0.00 179.45 177.97 1par h LYS 47 N 0.63 0.00 -0.04 1.90 1.57 -0.36 -2.69 116.57 117.57 1par h LYS 47 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1par h LYS 47 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1par h LYS 47 CO -0.28 0.60 0.00 0.39 -0.57 0.00 0.00 179.45 179.59 1par n GLU 48 N -3.41 1.72 -0.83 3.15 1.02 -0.84 -4.92 120.64 116.52 1par n GLU 48 Ca 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.10 1par n GLU 48 Cb 0.70 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 1.18 0.52 1.12 0.62 0.00 -0.68 -4.96 105.19 102.99 1par n GLY 49 Ca 0.18 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.71 2.44 0.02 1.61 1.74 0.32 -4.71 116.66 115.38 1par n ARG 50 Ca 0.00 -2.20 0.00 0.00 -0.77 0.00 0.00 57.85 54.88 1par n ARG 50 Cb 0.02 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1par n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1par n ILE 51 N 1.36 0.17 -1.07 0.55 2.08 -1.24 -4.90 119.36 116.32 1par n ILE 51 Ca 0.20 0.06 -0.14 0.00 0.56 0.00 0.00 62.75 63.43 1par n ILE 51 Cb 0.57 -1.15 -0.06 0.00 -0.75 0.00 0.00 39.64 38.24 1par n ILE 51 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1par n GLY 52 N 2.53 -0.04 0.00 7.39 0.00 -1.26 -5.05 105.19 108.76 1par n GLY 52 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1par n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32