#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nla s LYS 2 N 0.00 2.24 0.00 0.03 2.20 -1.26 -4.79 119.74 118.17 1nla s LYS 2 Ca 0.00 -1.99 0.00 0.00 -0.36 0.00 0.00 55.97 53.62 1nla s LYS 2 Cb 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1nla s LYS 2 CO 0.00 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1nla n GLY 3 N -1.43 0.91 0.00 5.54 0.00 -1.26 -5.08 105.19 103.87 1nla n GLY 3 Ca -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1nla n GLY 3 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nla n MET 4 N -0.54 2.63 -2.89 1.61 1.56 -1.26 -5.08 117.12 113.15 1nla n MET 4 Ca 0.00 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.04 1nla n MET 4 Cb 0.39 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.70 1nla n MET 4 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1nla s SER 5 N -0.73 7.47 -0.41 6.12 0.01 -1.26 -4.97 113.70 119.93 1nla s SER 5 Ca 0.00 1.76 0.05 0.00 1.31 0.00 0.00 55.95 59.06 1nla s SER 5 Cb 0.00 -2.54 0.46 0.00 0.21 0.00 0.00 66.02 64.15 1nla s SER 5 CO 0.00 0.17 1.49 0.29 0.41 0.00 0.00 173.24 175.59 1nla n LYS 6 N 1.45 3.09 -3.74 12.44 5.02 -1.26 -4.94 118.16 130.22 1nla n LYS 6 Ca -0.04 -3.77 -0.38 0.00 -2.02 0.00 0.00 58.31 52.11 1nla n LYS 6 Cb 0.48 -2.22 -0.12 0.00 -0.02 0.00 0.00 35.03 33.16 1nla n LYS 6 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1nla s MET 7 N -3.62 2.44 0.60 1.97 -1.94 -1.26 -5.08 119.30 112.42 1nla s MET 7 Ca 0.54 -1.43 -0.17 0.00 -1.71 0.00 0.00 55.69 52.93 1nla s MET 7 Cb 0.44 -3.54 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1nla s MET 7 CO 0.02 -0.84 1.09 -1.25 -0.01 0.00 0.00 175.02 174.03 1nla s PRO 8 N 1.32 3.13 0.45 2.03 0.04 -1.26 -4.92 135.00 135.79 1nla s PRO 8 Ca 0.01 1.39 0.31 0.00 0.04 0.00 0.00 61.00 62.75 1nla s PRO 8 Cb -0.21 -1.99 1.39 0.00 0.04 0.00 0.00 34.50 33.72 1nla s PRO 8 CO 0.00 -0.99 1.92 1.96 0.04 0.00 0.00 177.00 179.93 1nla h GLN 9 N 0.50 0.00 0.00 4.56 7.50 -2.02 -2.46 115.11 123.19 1nla h GLN 9 Ca -0.48 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 58.53 1nla h GLN 9 Cb 1.24 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.75 1nla h GLN 9 CO 0.56 0.00 -0.69 0.35 -1.50 0.00 0.00 178.83 177.55 1nla h PHE 10 N 0.00 0.00 -0.36 2.96 3.57 -2.04 -3.09 116.94 117.98 1nla h PHE 10 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1nla h PHE 10 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1nla h PHE 10 CO 0.00 0.69 0.04 1.28 -2.23 0.00 0.00 178.31 178.09 1nla n LEU 11 N -3.50 3.92 0.23 0.59 4.77 -0.93 -4.16 117.00 117.93 1nla n LEU 11 Ca -0.00 -2.00 0.12 0.00 -0.03 0.00 0.00 56.01 54.09 1nla n LEU 11 Cb 0.73 -0.62 0.46 0.00 -2.33 0.00 0.00 43.42 41.66 1nla n LEU 11 CO 0.43 0.51 0.83 -1.13 -1.33 0.00 0.00 177.39 176.70 1nla h ASN 12 N 2.12 0.00 0.73 -1.43 -0.73 -1.63 -2.80 115.58 111.85 1nla h ASN 12 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1nla h ASN 12 Cb 1.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.04 1nla h ASN 12 CO 0.33 0.17 -0.47 0.54 -0.37 0.00 0.00 177.43 177.63 1nla n ARG 13 N -3.28 0.12 -2.75 6.67 1.74 -1.26 -4.87 116.66 113.03 1nla n ARG 13 Ca 0.01 0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 1nla n ARG 13 Cb 0.43 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 1nla n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nla s TRP 14 N -3.07 3.84 1.12 -1.55 0.52 -1.06 -5.04 118.94 113.70 1nla s TRP 14 Ca 0.10 1.85 -0.18 0.00 0.02 0.00 0.00 56.10 57.89 1nla s TRP 14 Cb 0.16 -2.97 0.26 0.00 -1.15 0.00 0.00 33.47 29.77 1nla s TRP 14 CO 0.68 0.30 1.18 -1.25 0.02 0.00 0.00 176.95 177.89 1nla s PRO 15 N -1.58 -0.60 0.32 4.98 0.04 -1.26 -4.86 135.00 132.04 1nla s PRO 15 Ca 0.45 -0.18 0.20 0.00 0.04 0.00 0.00 61.00 61.51 1nla s PRO 15 Cb -0.23 -1.68 0.16 0.00 0.04 0.00 0.00 34.50 32.79 1nla s PRO 15 CO 0.29 -3.28 1.39 -0.09 0.04 0.00 0.00 177.00 175.35 1nla h ARG 16 N -2.27 0.00 0.00 4.56 2.43 -1.98 -2.52 114.38 114.61 1nla h ARG 16 Ca -0.45 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 1nla h ARG 16 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1nla h ARG 16 CO 0.36 0.17 -0.37 0.93 -1.51 0.00 0.00 179.97 179.54 1nla h GLU 17 N 0.00 0.00 0.06 0.20 5.08 -1.99 -1.72 114.58 116.21 1nla h GLU 17 Ca -0.02 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 1nla h GLU 17 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1nla h GLU 17 CO 0.02 0.37 -2.21 0.28 -1.00 0.00 0.00 179.01 176.48 1nla n VAL 18 N -3.81 1.64 0.21 3.13 0.31 -1.22 -4.03 118.33 114.57 1nla n VAL 18 Ca -0.01 -0.60 0.06 0.00 -0.01 0.00 0.00 64.34 63.78 1nla n VAL 18 Cb 0.45 -1.60 0.48 0.00 -0.91 0.00 0.00 33.84 32.25 1nla n VAL 18 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1nla h LEU 19 N -0.01 0.00 -0.95 7.52 3.38 -1.48 -1.56 115.31 122.22 1nla h LEU 19 Ca -0.50 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1nla h LEU 19 Cb 1.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1nla h LEU 19 CO -0.01 0.26 -0.17 -0.78 0.09 0.00 0.00 178.44 177.83 1nla h ASP 20 N 0.00 0.00 0.37 -0.43 3.58 -1.48 -2.81 116.42 115.64 1nla h ASP 20 Ca -0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 1nla h ASP 20 Cb 0.49 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 1nla h ASP 20 CO 0.03 0.17 -1.80 -0.11 -2.88 0.00 0.00 179.24 174.65 1nla n LEU 21 N -3.27 1.50 0.01 2.28 7.94 -0.75 -3.82 117.00 120.89 1nla n LEU 21 Ca 0.01 0.35 -0.13 0.00 -1.11 0.00 0.00 56.01 55.13 1nla n LEU 21 Cb 0.44 -0.29 -0.09 0.00 0.53 0.00 0.00 43.42 44.01 1nla n LEU 21 CO 0.33 0.55 0.69 0.58 -1.11 0.00 0.00 177.39 178.43 1nla h VAL 22 N 0.03 1.26 -0.06 1.96 2.07 -1.27 -2.16 116.25 118.08 1nla h VAL 22 Ca -0.33 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.38 1nla h VAL 22 Cb 2.02 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.61 1nla h VAL 22 CO 0.08 0.21 0.05 0.08 0.02 0.00 0.00 177.57 178.02 1nla h ARG 23 N -0.37 0.00 0.00 1.57 -0.00 -1.68 -0.55 114.38 113.34 1nla h ARG 23 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.88 1nla h ARG 23 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.32 1nla h ARG 23 CO 0.00 0.00 -0.64 0.87 -0.00 0.00 0.00 179.97 180.20 1nla h LYS 24 N 0.00 0.00 0.17 0.08 1.79 -1.62 -3.23 116.57 113.77 1nla h LYS 24 Ca 0.03 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.19 1nla h LYS 24 Cb 0.14 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1nla h LYS 24 CO -0.00 0.36 -1.34 0.28 -1.08 0.00 0.00 179.45 177.67 1nla h VAL 25 N 0.00 1.31 -0.73 0.50 2.07 -0.46 -3.13 116.25 115.81 1nla h VAL 25 Ca -0.03 -2.61 -0.05 0.00 0.82 0.00 0.00 66.70 64.83 1nla h VAL 25 Cb 1.34 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.93 1nla h VAL 25 CO 0.05 0.79 0.27 0.00 0.02 0.00 0.00 177.57 178.69 1nla h ALA 26 N 0.28 0.95 0.00 1.67 0.00 -1.47 -1.46 119.26 119.22 1nla h ALA 26 Ca -0.21 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1nla h ALA 26 Cb 2.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1nla h ALA 26 CO 0.25 0.59 0.00 0.93 0.00 0.00 0.00 179.25 181.02 1nla h GLU 27 N 1.05 0.00 0.00 0.00 5.08 -1.62 -2.12 114.58 116.96 1nla h GLU 27 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1nla h GLU 27 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nla h GLU 27 CO -0.02 0.00 -0.14 0.93 -1.00 0.00 0.00 179.01 178.78 1nla h GLU 28 N 0.00 0.00 -0.08 2.33 4.39 -1.22 -3.35 114.58 116.66 1nla h GLU 28 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1nla h GLU 28 Cb 0.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1nla h GLU 28 CO 0.00 0.02 0.06 -0.91 -1.16 0.00 0.00 179.01 177.02 1nla h ASN 29 N -1.00 0.00 -0.02 1.42 2.35 -1.52 -3.45 115.58 113.35 1nla h ASN 29 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1nla h ASN 29 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1nla h ASN 29 CO -0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1nla n GLY 30 N -1.47 0.95 0.00 2.83 0.00 -0.99 -5.10 105.19 101.41 1nla n GLY 30 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1nla n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nla n ARG 31 N -0.01 0.00 -3.76 1.61 1.74 -0.83 -5.06 116.66 110.35 1nla n ARG 31 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1nla n ARG 31 Cb 0.01 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.44 1nla n ARG 31 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1nla s SER 32 N 1.10 4.75 0.44 0.55 0.15 -1.26 -4.42 113.70 115.00 1nla s SER 32 Ca 0.00 -1.08 0.24 0.00 0.70 0.00 0.00 55.95 55.80 1nla s SER 32 Cb 0.00 0.11 0.45 0.00 -1.71 0.00 0.00 66.02 64.87 1nla s SER 32 CO 0.00 -0.98 1.64 0.58 1.20 0.00 0.00 173.24 175.68 1nla h VAL 33 N 0.81 0.09 0.00 4.45 2.07 -1.91 -2.94 116.25 118.83 1nla h VAL 33 Ca -0.38 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 1nla h VAL 33 Cb 1.29 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1nla h VAL 33 CO 0.57 0.05 -0.37 0.78 0.02 0.00 0.00 177.57 178.62 1nla h ASN 34 N 0.00 0.00 0.68 0.57 4.21 -1.98 -2.43 115.58 116.63 1nla h ASN 34 Ca -0.00 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 1nla h ASN 34 Cb 0.97 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.13 1nla h ASN 34 CO 0.01 0.37 -1.42 -1.28 -1.29 0.00 0.00 177.43 173.81 1nla h SER 35 N 0.00 0.03 -0.08 5.81 0.87 -1.94 -2.97 113.55 115.27 1nla h SER 35 Ca -0.00 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1nla h SER 35 Cb 0.84 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1nla h SER 35 CO 0.05 1.04 -0.02 -0.08 -0.53 0.00 0.00 176.83 177.29 1nla h GLU 36 N 0.01 0.16 -0.05 2.24 4.22 -1.34 -1.85 114.58 117.96 1nla h GLU 36 Ca -0.18 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.13 1nla h GLU 36 Cb 1.92 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 1nla h GLU 36 CO 0.10 0.47 -0.29 0.82 -2.18 0.00 0.00 179.01 177.93 1nla h ILE 37 N -0.16 1.23 -0.49 2.32 1.08 -1.58 -2.28 117.51 117.63 1nla h ILE 37 Ca 0.02 -1.10 -0.12 0.00 -0.39 0.00 0.00 64.86 63.27 1nla h ILE 37 Cb 0.41 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 1nla h ILE 37 CO 0.01 0.32 -0.17 0.22 -0.69 0.00 0.00 178.15 177.84 1nla h TYR 38 N 0.09 1.10 -0.12 1.37 3.20 -1.34 -1.92 116.97 119.35 1nla h TYR 38 Ca 0.01 -0.25 -0.08 0.00 3.14 0.00 0.00 58.73 61.56 1nla h TYR 38 Cb 0.56 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1nla h TYR 38 CO 0.00 1.05 -0.24 1.96 -1.64 0.00 0.00 178.16 179.30 1nla h GLN 39 N 0.85 0.37 0.00 1.82 7.50 -1.06 0.14 115.11 124.73 1nla h GLN 39 Ca 0.12 -0.24 -0.00 0.00 0.50 0.00 0.00 58.65 59.03 1nla h GLN 39 Cb 0.73 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.29 1nla h GLN 39 CO 0.06 0.84 -0.02 0.00 -1.50 0.00 0.00 178.83 178.21 1nla h ARG 40 N -0.06 0.00 0.00 1.46 2.47 -1.40 -0.83 114.38 116.03 1nla h ARG 40 Ca 0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 1nla h ARG 40 Cb 0.83 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 1nla h ARG 40 CO 0.05 0.02 -1.25 0.28 0.56 0.00 0.00 179.97 179.64 1nla n VAL 41 N -3.74 0.95 0.00 2.04 0.31 -0.73 -4.05 118.33 113.11 1nla n VAL 41 Ca -0.03 -0.63 -0.06 0.00 -0.01 0.00 0.00 64.34 63.61 1nla n VAL 41 Cb 0.11 -0.57 -0.05 0.00 -0.91 0.00 0.00 33.84 32.42 1nla n VAL 41 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1nla h MET 42 N 0.00 -0.12 -0.95 5.55 2.86 0.46 -3.31 114.93 119.43 1nla h MET 42 Ca -0.10 0.01 0.25 0.00 -2.06 0.00 0.00 59.70 57.80 1nla h MET 42 Cb 1.34 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.97 1nla h MET 42 CO 0.03 0.19 0.65 1.05 1.06 0.00 0.00 176.91 179.88 1nla h GLU 43 N -0.99 0.23 0.12 1.72 4.11 -1.60 -1.59 114.58 116.57 1nla h GLU 43 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1nla h GLU 43 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nla h GLU 43 CO 0.02 0.15 -0.06 0.77 0.07 0.00 0.00 179.01 179.96 1nla h SER 44 N 0.24 -0.14 -0.02 3.06 0.02 -1.70 -1.87 113.55 113.14 1nla h SER 44 Ca 0.49 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.42 1nla h SER 44 Cb 1.51 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.08 1nla h SER 44 CO -0.13 -0.06 0.02 -0.26 -1.14 0.00 0.00 176.83 175.25 1nla h PHE 45 N -0.20 0.00 0.00 3.45 0.04 -1.38 -1.84 116.94 117.02 1nla h PHE 45 Ca -0.02 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.58 1nla h PHE 45 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1nla h PHE 45 CO -0.06 0.00 -0.81 0.87 -0.60 0.00 0.00 178.31 177.72 1nla h LYS 46 N 0.00 0.01 -0.30 1.51 1.57 -1.25 -2.54 116.57 115.57 1nla h LYS 46 Ca 0.01 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1nla h LYS 46 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1nla h LYS 46 CO -0.00 0.81 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.43 1nla h LYS 47 N 0.00 0.04 0.00 3.15 3.11 -0.53 -3.25 116.57 119.09 1nla h LYS 47 Ca -0.01 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1nla h LYS 47 Cb 1.43 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.65 1nla h LYS 47 CO 0.11 0.02 -0.01 0.93 -2.81 0.00 0.00 179.45 177.69 1nla h GLU 48 N 0.04 0.00 0.00 1.90 4.39 -1.63 -3.49 114.58 115.79 1nla h GLU 48 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1nla h GLU 48 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1nla h GLU 48 CO -0.28 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.15 1nla n GLY 49 N 1.75 0.58 0.09 -3.84 0.00 -0.98 -5.02 105.19 97.77 1nla n GLY 49 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1nla n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nla h ARG 50 N 0.00 0.00 0.00 1.61 -0.00 -1.82 -3.28 114.38 110.89 1nla h ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1nla h ARG 50 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 1nla h ARG 50 CO 0.00 0.71 -0.23 0.82 0.00 0.00 0.00 179.97 181.27 1nla h ILE 51 N 0.00 0.10 0.00 2.04 2.04 -1.96 -3.47 117.51 116.26 1nla h ILE 51 Ca -0.06 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1nla h ILE 51 Cb 1.67 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1nla h ILE 51 CO 0.10 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.91 1nla n GLY 52 N 1.13 1.19 0.24 5.37 0.00 -1.24 -5.18 105.19 106.70 1nla n GLY 52 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1nla n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32