#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 2.24 0.00 2.12 1.02 -1.26 -3.11 119.74 120.75 1par s LYS 2 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.78 1par s LYS 2 Cb 0.00 -4.62 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 1par s LYS 2 CO 0.00 -3.32 0.00 0.41 -0.92 0.00 0.00 175.35 171.52 1par n GLY 3 N 6.15 0.31 0.00 -3.33 0.00 -1.26 -5.11 105.19 101.95 1par n GLY 3 Ca 0.34 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1par n GLY 3 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1par n MET 4 N 0.00 0.00 -0.36 1.61 0.00 -1.18 -1.25 117.12 115.94 1par n MET 4 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 57.70 58.01 1par n MET 4 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 33.22 33.76 1par n MET 4 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1par n SER 5 N 0.00 0.21 -0.03 6.12 7.64 -1.26 0.29 113.62 126.59 1par n SER 5 Ca 0.00 1.21 0.14 0.00 1.01 0.00 0.00 58.87 61.22 1par n SER 5 Cb 0.00 -0.59 0.52 0.00 -1.01 0.00 0.00 64.21 63.13 1par n SER 5 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1par n LYS 6 N -4.49 0.19 -3.85 1.43 0.00 -0.38 -4.86 118.16 106.20 1par n LYS 6 Ca 0.33 -0.05 -0.35 0.00 0.00 0.00 0.00 58.31 58.23 1par n LYS 6 Cb 1.24 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 34.71 1par n LYS 6 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1par s MET 7 N -2.85 3.49 0.96 1.64 -1.94 0.15 -5.08 119.30 115.66 1par s MET 7 Ca 0.18 -0.16 -0.12 0.00 -1.71 0.00 0.00 55.69 53.87 1par s MET 7 Cb 0.19 -3.13 0.11 0.00 2.01 0.00 0.00 34.83 34.01 1par s MET 7 CO 0.56 0.71 0.80 -0.35 -0.01 0.00 0.00 175.02 176.73 1par n PRO 8 N 1.39 -0.57 -4.37 2.03 -0.04 -1.26 -4.99 135.00 127.20 1par n PRO 8 Ca -0.14 -0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 62.91 1par n PRO 8 Cb 0.53 -2.13 -0.12 0.00 -0.04 0.00 0.00 33.50 31.75 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 -4.18 1.80 -0.10 0.54 -2.07 -1.26 -5.12 119.66 109.27 1par s GLN 9 Ca 0.63 -1.16 0.03 0.00 -1.82 0.00 0.00 55.36 53.04 1par s GLN 9 Cb -0.22 -2.11 -0.00 0.00 -1.09 0.00 0.00 33.01 29.59 1par s GLN 9 CO 0.63 0.49 -0.22 0.12 -1.32 0.00 0.00 175.29 174.98 1par s PHE 10 N -1.10 2.60 -0.12 9.60 5.36 -1.26 -5.10 117.98 127.95 1par s PHE 10 Ca 0.17 -0.96 -0.25 0.00 -0.96 0.00 0.00 56.93 54.93 1par s PHE 10 Cb -0.11 -1.73 -0.02 0.00 -0.34 0.00 0.00 43.02 40.82 1par s PHE 10 CO 0.09 -0.37 0.81 1.21 -1.46 0.00 0.00 175.22 175.50 1par s ASN 11 N 0.31 7.00 0.06 6.13 3.04 -1.26 -5.04 114.94 125.18 1par s ASN 11 Ca -0.17 1.22 0.07 0.00 0.04 0.00 0.00 52.86 54.03 1par s ASN 11 Cb -0.17 -2.45 -0.03 0.00 -1.54 0.00 0.00 41.25 37.05 1par s ASN 11 CO 0.08 -0.30 -0.16 -0.76 -3.04 0.00 0.00 177.10 172.91 1par s LEU 12 N 1.65 2.72 -0.28 3.21 1.02 -1.26 -5.09 118.68 120.64 1par s LEU 12 Ca 0.39 -0.43 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 1par s LEU 12 Cb -0.17 -1.58 0.12 0.00 0.02 0.00 0.00 46.19 44.58 1par s LEU 12 CO 0.16 0.23 0.26 -0.13 0.02 0.00 0.00 176.35 176.88 1par s ARG 13 N -1.68 0.28 0.46 1.70 0.52 -1.26 -5.13 118.95 113.84 1par s ARG 13 Ca 0.16 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.22 1par s ARG 13 Cb -0.11 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 1par s ARG 13 CO 0.07 -0.99 0.04 -1.58 0.02 0.00 0.00 175.30 172.87 1par s TRP 14 N 2.31 1.92 0.38 -0.53 0.51 -1.26 -5.13 118.94 117.14 1par s TRP 14 Ca 0.09 -1.01 -0.24 0.00 -2.12 0.00 0.00 56.10 52.81 1par s TRP 14 Cb -0.14 -1.49 -0.09 0.00 -0.81 0.00 0.00 33.47 30.93 1par s TRP 14 CO -0.31 0.10 1.02 -2.14 -0.51 0.00 0.00 176.95 175.11 1par s PRO 15 N -3.82 4.27 0.08 4.98 0.02 -1.26 -4.86 135.00 134.42 1par s PRO 15 Ca 0.15 1.45 -0.18 0.00 0.02 0.00 0.00 61.00 62.44 1par s PRO 15 Cb 0.03 -2.59 -0.05 0.00 0.02 0.00 0.00 34.50 31.91 1par s PRO 15 CO 0.08 -0.03 1.30 0.00 -0.33 0.00 0.00 177.00 178.03 1par h ARG 16 N 2.63 -0.14 -0.54 5.54 3.08 -2.00 0.13 114.38 123.08 1par h ARG 16 Ca -0.48 0.01 0.16 0.00 0.07 0.00 0.00 59.98 59.74 1par h ARG 16 Cb 1.21 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1par h ARG 16 CO 0.63 -0.09 0.81 0.93 -1.07 0.00 0.00 179.97 181.17 1par h GLU 17 N -0.15 0.00 0.00 0.04 3.07 -1.98 0.39 114.58 115.96 1par h GLU 17 Ca 0.06 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 1par h GLU 17 Cb 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1par h GLU 17 CO -0.40 0.00 -0.52 0.28 -1.40 0.00 0.00 179.01 176.97 1par h VAL 18 N 0.00 0.44 -0.27 3.13 2.07 -1.16 -2.90 116.25 117.56 1par h VAL 18 Ca 0.26 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.39 1par h VAL 18 Cb 1.87 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.52 1par h VAL 18 CO -0.00 0.15 -0.20 -0.07 0.02 0.00 0.00 177.57 177.46 1par h LEU 19 N -1.00 -0.66 -0.59 2.57 4.07 -0.29 0.48 115.31 119.90 1par h LEU 19 Ca -0.09 0.13 0.10 0.00 0.08 0.00 0.00 57.88 58.10 1par h LEU 19 Cb 0.65 0.33 -0.11 0.00 1.08 0.00 0.00 40.66 42.60 1par h LEU 19 CO -0.05 -0.24 -0.37 -0.78 -1.08 0.00 0.00 178.44 175.91 1par h ASP 20 N -0.19 -1.29 -0.42 -0.43 1.82 -0.47 0.45 116.42 115.89 1par h ASP 20 Ca 0.15 0.23 0.03 0.00 -0.39 0.00 0.00 57.03 57.05 1par h ASP 20 Cb 0.41 0.62 -0.03 0.00 0.68 0.00 0.00 39.33 41.01 1par h ASP 20 CO -0.38 -0.32 0.22 0.25 -1.61 0.00 0.00 179.24 177.40 1par h LEU 21 N -0.19 0.33 -1.34 2.28 6.46 -0.88 0.58 115.31 122.56 1par h LEU 21 Ca 0.21 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1par h LEU 21 Cb 0.56 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1par h LEU 21 CO -0.69 0.24 0.48 0.58 -0.62 0.00 0.00 178.44 178.43 1par h VAL 22 N 0.44 1.08 0.59 1.05 2.07 0.21 -1.16 116.25 120.53 1par h VAL 22 Ca 0.18 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1par h VAL 22 Cb 0.07 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1par h VAL 22 CO -0.12 0.15 -0.28 0.03 0.02 0.00 0.00 177.57 177.37 1par h ARG 23 N 0.84 -0.76 -0.82 1.57 3.08 0.87 -1.52 114.38 117.64 1par h ARG 23 Ca 0.30 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.51 1par h ARG 23 Cb 0.12 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 1par h ARG 23 CO -0.09 -0.51 -0.47 -0.22 -1.07 0.00 0.00 179.97 177.61 1par h LYS 24 N -0.91 -0.10 -0.59 0.04 3.11 -0.69 0.51 116.57 117.94 1par h LYS 24 Ca -0.08 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.84 1par h LYS 24 Cb 0.61 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 31.80 1par h LYS 24 CO 0.13 -0.07 0.27 0.28 -2.81 0.00 0.00 179.45 177.26 1par h VAL 25 N -0.10 0.87 0.37 2.00 2.07 -1.26 0.23 116.25 120.43 1par h VAL 25 Ca 0.22 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1par h VAL 25 Cb 0.53 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1par h VAL 25 CO -0.85 0.09 -0.21 0.00 0.02 0.00 0.00 177.57 176.62 1par h ALA 26 N 1.36 -0.54 -0.01 1.67 0.00 0.68 -2.82 119.26 119.59 1par h ALA 26 Ca 0.28 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1par h ALA 26 Cb 0.26 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1par h ALA 26 CO -0.23 -0.81 -0.39 1.49 0.00 0.00 0.00 179.25 179.30 1par h GLU 27 N -0.55 -0.52 -2.41 0.00 4.57 0.20 0.38 114.58 116.26 1par h GLU 27 Ca -0.04 0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1par h GLU 27 Cb 0.44 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 1par h GLU 27 CO 0.05 -0.35 -0.02 -1.91 -1.18 0.00 0.00 179.01 175.60 1par n GLU 28 N -5.44 1.16 0.00 1.92 2.13 0.79 -1.69 120.64 119.50 1par n GLU 28 Ca -0.05 -0.57 0.00 0.00 0.66 0.00 0.00 57.16 57.19 1par n GLU 28 Cb 0.36 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1par n GLU 28 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1par n ASN 29 N 2.69 0.00 -1.71 4.31 5.03 -0.57 -4.83 115.26 120.18 1par n ASN 29 Ca 0.25 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.69 1par n ASN 29 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1par n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1par n GLY 30 N -0.44 -0.55 3.54 7.41 0.00 0.02 -5.07 105.19 110.10 1par n GLY 30 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.41 0.72 0.47 1.61 0.52 -1.21 -5.06 118.95 113.60 1par s ARG 31 Ca 0.01 -0.07 -0.21 0.00 -0.52 0.00 0.00 55.73 54.93 1par s ARG 31 Cb -0.00 0.33 -0.08 0.00 0.52 0.00 0.00 34.95 35.72 1par s ARG 31 CO 0.11 -0.27 1.08 -1.54 0.02 0.00 0.00 175.30 174.69 1par s SER 32 N -1.82 6.30 0.30 0.23 1.04 -1.26 -4.47 113.70 114.02 1par s SER 32 Ca 0.01 2.06 -0.00 0.00 0.48 0.00 0.00 55.95 58.50 1par s SER 32 Cb -0.01 -2.58 0.50 0.00 0.10 0.00 0.00 66.02 64.04 1par s SER 32 CO -0.03 -0.82 1.93 0.58 0.98 0.00 0.00 173.24 175.88 1par h VAL 33 N 1.69 1.11 -0.89 5.02 2.07 -1.94 -0.80 116.25 122.51 1par h VAL 33 Ca -0.49 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 66.75 1par h VAL 33 Cb 1.23 -0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.85 1par h VAL 33 CO 0.60 0.19 -0.57 -1.13 0.02 0.00 0.00 177.57 176.68 1par h ASN 34 N 1.06 -2.07 -0.57 0.57 -1.24 -1.98 -1.27 115.58 110.08 1par h ASN 34 Ca 0.36 0.31 -0.06 0.00 0.71 0.00 0.00 56.30 57.63 1par h ASN 34 Cb 0.10 0.91 -0.02 0.00 0.73 0.00 0.00 38.32 40.04 1par h ASN 34 CO -0.12 -0.27 0.13 0.28 -1.29 0.00 0.00 177.43 176.17 1par h SER 35 N -0.07 0.87 -0.49 1.15 0.02 -1.56 -0.96 113.55 112.50 1par h SER 35 Ca 0.15 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1par h SER 35 Cb 0.45 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 1par h SER 35 CO -0.88 0.88 0.15 -0.08 -1.14 0.00 0.00 176.83 175.76 1par h GLU 36 N 0.82 0.30 -0.04 3.45 4.57 -0.29 0.81 114.58 124.20 1par h GLU 36 Ca 0.18 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1par h GLU 36 Cb 0.35 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1par h GLU 36 CO 0.00 0.20 0.02 0.82 -1.18 0.00 0.00 179.01 178.87 1par h ILE 37 N 0.31 1.10 -0.16 2.32 2.04 -0.93 -2.59 117.51 119.59 1par h ILE 37 Ca 0.24 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1par h ILE 37 Cb 0.28 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1par h ILE 37 CO -0.27 0.08 0.03 0.22 0.00 0.00 0.00 178.15 178.21 1par h TYR 38 N -0.04 0.05 -0.04 1.37 3.20 -0.29 -0.88 116.97 120.33 1par h TYR 38 Ca 0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1par h TYR 38 Cb 0.11 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1par h TYR 38 CO -0.04 0.02 0.02 -0.56 -1.64 0.00 0.00 178.16 175.96 1par h GLN 39 N 0.10 0.05 -0.09 1.82 3.07 0.61 -1.80 115.11 118.86 1par h GLN 39 Ca 0.07 -0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.85 1par h GLN 39 Cb 0.07 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 27.55 1par h GLN 39 CO -0.10 0.03 -0.36 0.00 0.09 0.00 0.00 178.83 178.49 1par h ARG 40 N 0.05 -0.44 -0.82 0.06 3.08 -1.40 0.13 114.38 115.04 1par h ARG 40 Ca 0.02 0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.29 1par h ARG 40 Cb -0.00 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.03 1par h ARG 40 CO -0.01 -0.29 0.28 0.28 -1.07 0.00 0.00 179.97 179.16 1par h VAL 41 N -0.46 0.49 -0.43 2.04 2.07 -1.03 -0.52 116.25 118.41 1par h VAL 41 Ca 0.08 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1par h VAL 41 Cb 0.58 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1par h VAL 41 CO -0.35 0.06 0.27 0.24 0.02 0.00 0.00 177.57 177.81 1par h MET 42 N 0.34 0.53 0.00 1.57 2.86 0.08 -2.07 114.93 118.25 1par h MET 42 Ca 0.49 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 58.07 1par h MET 42 Cb 0.88 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1par h MET 42 CO -0.52 0.35 -0.13 0.93 1.06 0.00 0.00 176.91 178.60 1par h GLU 43 N 0.55 0.00 0.00 1.72 4.39 0.40 0.12 114.58 121.76 1par h GLU 43 Ca 0.17 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 1par h GLU 43 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1par h GLU 43 CO -0.06 0.13 -0.34 0.66 -1.16 0.00 0.00 179.01 178.24 1par h SER 44 N 0.00 0.00 0.03 1.42 4.64 -0.72 -3.19 113.55 115.73 1par h SER 44 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1par h SER 44 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1par h SER 44 CO 0.02 0.34 -0.48 -0.26 -0.87 0.00 0.00 176.83 175.57 1par h PHE 45 N 0.00 0.12 0.00 4.77 -1.00 -0.59 -3.31 116.94 116.93 1par h PHE 45 Ca -0.00 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1par h PHE 45 Cb 0.89 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.44 1par h PHE 45 CO 0.00 1.19 0.07 0.87 -1.61 0.00 0.00 178.31 178.83 1par h LYS 46 N -0.85 0.00 -1.75 1.51 1.79 -0.85 1.11 116.57 117.53 1par h LYS 46 Ca -0.11 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.26 1par h LYS 46 Cb 1.22 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.82 1par h LYS 46 CO -0.01 0.00 0.12 1.63 -1.08 0.00 0.00 179.45 180.11 1par n LYS 47 N -2.65 1.23 0.00 3.15 5.02 -1.21 -4.06 118.16 119.65 1par n LYS 47 Ca -0.02 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1par n LYS 47 Cb 0.12 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1par n LYS 47 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1par n GLU 48 N 1.04 0.00 0.00 1.97 1.02 -0.61 -5.01 120.64 119.05 1par n GLU 48 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1par n GLU 48 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 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 0.00 1.72 0.05 0.62 0.00 0.38 -5.14 105.19 102.82 1par n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1par n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86