#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nla n LYS 2 N 0.00 2.77 -0.72 0.03 5.02 -1.26 -4.95 118.16 119.06 1nla n LYS 2 Ca 0.00 -3.51 0.00 0.00 -2.02 0.00 0.00 58.31 52.78 1nla n LYS 2 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1nla n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nla n GLY 3 N -0.64 -3.81 1.36 0.72 0.00 -1.26 -5.07 105.19 96.49 1nla n GLY 3 Ca 0.56 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.22 0.00 -0.79 1.61 1.56 -1.26 -4.97 117.12 113.49 1nla n MET 4 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.42 1nla n MET 4 Cb 0.00 -0.34 -0.01 0.00 2.15 0.00 0.00 33.22 35.02 1nla n MET 4 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1nla n SER 5 N -3.49 -0.01 -4.48 6.12 2.88 -1.26 -5.12 113.62 108.27 1nla n SER 5 Ca 0.00 -1.69 -0.23 0.00 -1.33 0.00 0.00 58.87 55.62 1nla n SER 5 Cb 0.01 -0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 1nla n SER 5 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1nla s LYS 6 N 0.00 1.68 0.80 -1.46 1.02 -1.26 -5.14 119.74 115.38 1nla s LYS 6 Ca 0.06 -1.88 -0.11 0.00 0.02 0.00 0.00 55.97 54.06 1nla s LYS 6 Cb 0.07 -1.32 0.07 0.00 -0.52 0.00 0.00 37.83 36.14 1nla s LYS 6 CO -0.03 0.03 1.09 0.00 -0.92 0.00 0.00 175.35 175.52 1nla s MET 7 N -3.71 2.05 0.44 1.68 0.23 -1.26 -5.00 119.30 113.73 1nla s MET 7 Ca 0.32 0.73 -0.24 0.00 -1.03 0.00 0.00 55.69 55.47 1nla s MET 7 Cb 0.05 -1.91 -0.08 0.00 -1.53 0.00 0.00 34.83 31.36 1nla s MET 7 CO 0.14 -1.67 1.16 -1.25 -2.03 0.00 0.00 175.02 171.37 1nla s PRO 8 N -5.10 3.86 0.28 3.16 0.04 -1.26 -4.90 135.00 131.08 1nla s PRO 8 Ca 0.61 1.77 0.21 0.00 0.04 0.00 0.00 61.00 63.63 1nla s PRO 8 Cb -0.15 -2.48 1.05 0.00 0.04 0.00 0.00 34.50 32.96 1nla s PRO 8 CO 0.55 -0.47 1.65 1.04 0.04 0.00 0.00 177.00 179.81 1nla n GLN 9 N -0.33 0.15 0.16 4.56 6.02 -1.26 -1.92 117.38 124.77 1nla n GLN 9 Ca 0.06 0.54 0.01 0.00 -0.01 0.00 0.00 57.00 57.61 1nla n GLN 9 Cb 0.48 -1.90 0.24 0.00 1.02 0.00 0.00 30.24 30.08 1nla n GLN 9 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1nla h PHE 10 N 0.00 0.00 -0.69 1.08 3.57 -2.04 -2.94 116.94 115.92 1nla h PHE 10 Ca 0.00 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.14 1nla h PHE 10 Cb 0.15 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 38.68 1nla h PHE 10 CO 0.00 0.52 0.46 1.28 -2.23 0.00 0.00 178.31 178.33 1nla n LEU 11 N -3.75 5.61 0.22 0.59 4.77 -0.81 -4.34 117.00 119.29 1nla n LEU 11 Ca -0.01 -2.97 0.10 0.00 -0.03 0.00 0.00 56.01 53.10 1nla n LEU 11 Cb 0.56 -0.74 0.44 0.00 -2.33 0.00 0.00 43.42 41.35 1nla n LEU 11 CO 0.40 0.89 0.79 -1.13 -1.33 0.00 0.00 177.39 177.01 1nla h ASN 12 N 0.71 0.00 1.06 -1.43 -0.73 -1.67 -2.93 115.58 110.59 1nla h ASN 12 Ca 0.44 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.61 1nla h ASN 12 Cb 2.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.85 1nla h ASN 12 CO 0.77 0.23 -0.90 -0.09 -0.37 0.00 0.00 177.43 177.07 1nla h ARG 13 N 0.00 0.00 -6.62 6.67 2.43 -1.86 -3.46 114.38 111.54 1nla h ARG 13 Ca -0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 1nla h ARG 13 Cb 0.77 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1nla h ARG 13 CO 0.03 0.00 0.68 -1.58 -1.51 0.00 0.00 179.97 177.59 1nla s TRP 14 N -3.34 3.26 0.97 2.20 0.52 -1.11 -4.99 118.94 116.45 1nla s TRP 14 Ca 0.01 1.12 -0.12 0.00 0.02 0.00 0.00 56.10 57.12 1nla s TRP 14 Cb 0.09 -3.63 0.17 0.00 -1.15 0.00 0.00 33.47 28.96 1nla s TRP 14 CO 0.78 -2.06 1.09 -1.25 0.02 0.00 0.00 176.95 175.52 1nla s PRO 15 N 0.42 0.67 0.45 4.98 0.04 -1.26 -4.84 135.00 135.46 1nla s PRO 15 Ca 0.60 0.71 0.22 0.00 0.04 0.00 0.00 61.00 62.58 1nla s PRO 15 Cb -0.36 -1.75 1.07 0.00 0.04 0.00 0.00 34.50 33.50 1nla s PRO 15 CO 0.35 -2.61 1.92 0.07 0.04 0.00 0.00 177.00 176.76 1nla h ARG 16 N -1.82 0.00 0.13 4.56 0.11 -1.97 -2.61 114.38 112.78 1nla h ARG 16 Ca -0.53 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.55 1nla h ARG 16 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1nla h ARG 16 CO 0.55 0.23 -0.06 0.93 0.10 0.00 0.00 179.97 181.72 1nla h GLU 17 N 0.00 -0.17 -0.51 0.08 5.08 -2.00 -1.41 114.58 115.66 1nla h GLU 17 Ca -0.00 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1nla h GLU 17 Cb 0.58 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1nla h GLU 17 CO 0.03 0.15 -0.15 0.28 -1.00 0.00 0.00 179.01 178.32 1nla h VAL 18 N -0.50 1.27 0.00 3.13 2.07 -1.92 -2.87 116.25 117.42 1nla h VAL 18 Ca -0.02 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1nla h VAL 18 Cb 0.40 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1nla h VAL 18 CO 0.03 0.46 -0.28 -0.07 0.02 0.00 0.00 177.57 177.72 1nla h LEU 19 N 0.87 0.00 -1.57 2.57 3.38 -1.47 -1.94 115.31 117.15 1nla h LEU 19 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1nla h LEU 19 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1nla h LEU 19 CO 0.05 0.28 -0.23 -0.78 0.09 0.00 0.00 178.44 177.86 1nla h ASP 20 N 0.00 0.00 0.22 -0.43 1.82 -1.02 -2.35 116.42 114.66 1nla h ASP 20 Ca -0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.29 1nla h ASP 20 Cb 0.50 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.52 1nla h ASP 20 CO 0.04 0.23 -1.71 0.25 -1.61 0.00 0.00 179.24 176.43 1nla h LEU 21 N 0.00 0.62 -0.27 2.28 5.85 -1.37 -3.29 115.31 119.12 1nla h LEU 21 Ca -0.00 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1nla h LEU 21 Cb 0.48 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1nla h LEU 21 CO 0.03 1.75 0.18 0.58 -0.34 0.00 0.00 178.44 180.64 1nla h VAL 22 N 0.11 1.08 0.00 1.05 2.07 -1.18 -0.69 116.25 118.68 1nla h VAL 22 Ca -0.33 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1nla h VAL 22 Cb 2.10 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1nla h VAL 22 CO 0.19 0.08 -0.07 0.08 0.02 0.00 0.00 177.57 177.87 1nla h ARG 23 N 0.36 0.00 0.00 1.57 0.11 -1.58 -0.93 114.38 113.92 1nla h ARG 23 Ca 0.10 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.16 1nla h ARG 23 Cb -0.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.05 1nla h ARG 23 CO -0.02 0.07 -0.66 0.87 0.10 0.00 0.00 179.97 180.33 1nla h LYS 24 N 0.00 0.00 0.00 0.08 1.57 -1.48 -3.31 116.57 113.43 1nla h LYS 24 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1nla h LYS 24 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1nla h LYS 24 CO 0.01 0.05 -1.03 0.28 -0.57 0.00 0.00 179.45 178.19 1nla h VAL 25 N 0.00 0.41 -0.09 0.50 2.07 -0.13 -3.22 116.25 115.78 1nla h VAL 25 Ca -0.01 -1.71 -0.17 0.00 0.82 0.00 0.00 66.70 65.63 1nla h VAL 25 Cb 1.06 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1nla h VAL 25 CO 0.01 0.23 -0.67 0.00 0.02 0.00 0.00 177.57 177.16 1nla h ALA 26 N 1.63 0.67 -0.00 1.67 0.00 -1.30 -2.85 119.26 119.08 1nla h ALA 26 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1nla h ALA 26 Cb 1.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nla h ALA 26 CO 0.03 0.74 -0.12 -1.91 0.00 0.00 0.00 179.25 178.00 1nla n GLU 27 N -3.86 0.03 -0.06 0.00 2.13 -1.25 -1.68 120.64 115.94 1nla n GLU 27 Ca -0.04 -0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.75 1nla n GLU 27 Cb 0.67 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.87 1nla n GLU 27 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1nla h GLU 28 N 0.01 0.00 -0.15 5.31 4.39 -1.52 -3.36 114.58 119.26 1nla h GLU 28 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1nla h GLU 28 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1nla h GLU 28 CO 0.00 0.00 0.11 -0.91 -1.16 0.00 0.00 179.01 177.05 1nla h ASN 29 N -1.00 0.02 0.00 1.42 4.21 -1.67 -3.45 115.58 115.10 1nla h ASN 29 Ca -0.00 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1nla h ASN 29 Cb 0.33 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1nla h ASN 29 CO -0.00 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 1nla n GLY 30 N -1.56 1.73 0.00 2.83 0.00 -1.21 -5.11 105.19 101.87 1nla n GLY 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.51 0.49 -1.54 1.61 1.74 -0.68 -5.05 116.66 112.72 1nla n ARG 31 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1nla n ARG 31 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 1nla n ARG 31 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1nla n SER 32 N -1.37 0.64 0.10 0.55 2.88 -1.26 -4.18 113.62 110.97 1nla n SER 32 Ca 0.00 -1.48 0.12 0.00 -1.33 0.00 0.00 58.87 56.18 1nla n SER 32 Cb 0.00 -0.18 0.28 0.00 -0.75 0.00 0.00 64.21 63.57 1nla n SER 32 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1nla h VAL 33 N -0.15 0.00 0.08 2.46 2.07 -1.90 -2.64 116.25 116.18 1nla h VAL 33 Ca -0.10 -0.55 -0.26 0.00 0.82 0.00 0.00 66.70 66.61 1nla h VAL 33 Cb 0.43 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1nla h VAL 33 CO 0.13 0.00 -1.21 -1.13 0.02 0.00 0.00 177.57 175.38 1nla h ASN 34 N 0.00 0.26 0.06 0.57 -1.24 -1.98 -2.66 115.58 110.59 1nla h ASN 34 Ca 0.00 -0.29 -0.28 0.00 0.71 0.00 0.00 56.30 56.43 1nla h ASN 34 Cb 0.77 -0.09 0.03 0.00 0.73 0.00 0.00 38.32 39.77 1nla h ASN 34 CO 0.00 1.23 -1.15 -1.28 -1.29 0.00 0.00 177.43 174.94 1nla h SER 35 N 0.05 0.91 0.10 1.15 0.87 -1.94 -2.09 113.55 112.59 1nla h SER 35 Ca -0.11 -0.78 -0.00 0.00 -1.23 0.00 0.00 61.79 59.67 1nla h SER 35 Cb 1.91 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1nla h SER 35 CO 0.17 1.58 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.90 1nla h GLU 36 N 0.34 -0.16 0.00 2.24 4.81 -1.54 -0.95 114.58 119.33 1nla h GLU 36 Ca -0.16 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1nla h GLU 36 Cb 1.81 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.22 1nla h GLU 36 CO 0.22 -0.11 -0.09 0.82 -0.73 0.00 0.00 179.01 179.13 1nla h ILE 37 N -0.17 0.51 -0.00 2.32 1.08 -1.53 -1.89 117.51 117.83 1nla h ILE 37 Ca -0.01 -0.41 -0.15 0.00 -0.39 0.00 0.00 64.86 63.90 1nla h ILE 37 Cb 0.14 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1nla h ILE 37 CO 0.00 0.09 -0.70 0.22 -0.69 0.00 0.00 178.15 177.07 1nla h TYR 38 N 0.00 0.04 0.06 1.37 3.20 -0.48 -2.78 116.97 118.37 1nla h TYR 38 Ca -0.00 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1nla h TYR 38 Cb 0.27 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1nla h TYR 38 CO 0.00 0.72 -0.50 1.96 -1.64 0.00 0.00 178.16 178.70 1nla h GLN 39 N 0.02 0.24 0.00 1.82 1.08 -0.45 -1.60 115.11 116.22 1nla h GLN 39 Ca -0.01 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 1nla h GLN 39 Cb 1.25 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1nla h GLN 39 CO 0.09 1.10 -0.03 0.00 -0.95 0.00 0.00 178.83 179.04 1nla h ARG 40 N -0.45 0.00 0.01 1.46 -0.00 -1.54 -1.23 114.38 112.64 1nla h ARG 40 Ca -0.08 0.00 -0.26 0.00 -0.50 0.00 0.00 59.98 59.14 1nla h ARG 40 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.25 1nla h ARG 40 CO 0.10 0.03 -1.41 0.28 0.00 0.00 0.00 179.97 178.97 1nla h VAL 41 N 0.00 1.22 0.00 2.04 2.07 -1.50 -3.29 116.25 116.79 1nla h VAL 41 Ca -0.00 -3.00 -0.00 0.00 0.82 0.00 0.00 66.70 64.52 1nla h VAL 41 Cb 0.07 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1nla h VAL 41 CO 0.00 0.71 -0.02 0.24 0.02 0.00 0.00 177.57 178.53 1nla h MET 42 N 0.01 0.00 0.00 1.57 2.86 -0.21 -2.95 114.93 116.21 1nla h MET 42 Ca -0.17 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.30 1nla h MET 42 Cb 1.92 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.55 1nla h MET 42 CO 0.11 0.02 -1.07 0.93 1.06 0.00 0.00 176.91 177.96 1nla h GLU 43 N 0.00 0.00 0.79 1.72 4.39 -1.46 -3.28 114.58 116.74 1nla h GLU 43 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1nla h GLU 43 Cb 0.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1nla h GLU 43 CO 0.00 0.50 -0.38 0.77 -1.16 0.00 0.00 179.01 178.74 1nla h SER 44 N 0.00 -0.90 -0.83 1.42 0.02 -1.58 -2.87 113.55 108.81 1nla h SER 44 Ca -0.10 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1nla h SER 44 Cb 1.59 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 64.29 1nla h SER 44 CO 0.07 -0.57 0.48 -0.26 -1.14 0.00 0.00 176.83 175.41 1nla h PHE 45 N -1.18 0.86 -0.93 3.45 0.04 -1.73 -0.93 116.94 116.53 1nla h PHE 45 Ca -0.11 0.03 0.20 0.00 2.80 0.00 0.00 57.97 60.89 1nla h PHE 45 Cb 0.83 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.64 1nla h PHE 45 CO -0.00 0.35 0.60 0.87 -0.60 0.00 0.00 178.31 179.53 1nla h LYS 46 N 0.80 0.46 0.31 1.51 1.57 -1.59 -2.14 116.57 117.49 1nla h LYS 46 Ca 0.40 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1nla h LYS 46 Cb 0.37 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1nla h LYS 46 CO -0.25 0.30 -0.40 -0.22 -0.57 0.00 0.00 179.45 178.32 1nla h LYS 47 N 0.47 -0.70 0.92 3.15 3.64 -0.94 -3.20 116.57 119.90 1nla h LYS 47 Ca 0.49 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.87 1nla h LYS 47 Cb 1.13 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1nla h LYS 47 CO -0.21 -0.47 -0.44 0.93 -2.27 0.00 0.00 179.45 176.99 1nla h GLU 48 N -0.73 -1.19 0.00 1.90 4.39 -1.55 -3.47 114.58 113.93 1nla h GLU 48 Ca -0.04 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1nla h GLU 48 Cb 0.65 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1nla h GLU 48 CO -0.10 -0.79 0.00 0.41 -1.16 0.00 0.00 179.01 177.38 1nla n GLY 49 N -1.48 0.60 0.12 -3.84 0.00 -0.84 -5.05 105.19 94.70 1nla n GLY 49 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 0.29 0.00 1.61 3.08 -1.85 -3.48 114.38 114.04 1nla h ARG 50 Ca 0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1nla h ARG 50 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1nla h ARG 50 CO 0.00 1.18 0.00 0.44 -1.07 0.00 0.00 179.97 180.52 1nla n ILE 51 N -3.50 0.00 0.00 2.04 -5.35 -1.26 -5.05 119.36 106.24 1nla n ILE 51 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1nla n ILE 51 Cb 1.05 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 1nla n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nla n GLY 52 N 2.95 0.62 0.00 3.28 0.00 -1.26 -4.75 105.19 106.03 1nla n GLY 52 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nla n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32