#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1den s PRO 2 N 0.00 2.35 -0.03 -1.09 0.04 -1.26 -3.98 135.00 131.04 1den s PRO 2 Ca 0.00 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1den s PRO 2 Cb 0.00 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1den s PRO 2 CO 0.00 -1.59 0.08 1.25 0.04 0.00 0.00 177.00 176.78 1den h LEU 3 N -0.68 -0.03 -9.60 -3.56 6.46 -0.81 -3.44 115.31 103.65 1den h LEU 3 Ca -0.45 0.00 -0.58 0.00 -0.12 0.00 0.00 57.88 56.73 1den h LEU 3 Cb 1.24 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 41.09 1den h LEU 3 CO 0.51 0.13 -0.63 0.00 -0.62 0.00 0.00 178.44 177.84 1den s ARG 4 N -1.37 2.53 0.51 1.25 1.70 -1.26 -4.97 118.95 117.34 1den s ARG 4 Ca -0.00 -1.12 0.22 0.00 -0.47 0.00 0.00 55.73 54.36 1den s ARG 4 Cb 0.00 -2.39 1.36 0.00 -0.57 0.00 0.00 34.95 33.35 1den s ARG 4 CO 0.01 0.44 2.10 -0.22 -1.08 0.00 0.00 175.30 176.55 1den h LYS 5 N 2.36 0.00 0.00 3.89 3.64 -1.97 -2.51 116.57 121.98 1den h LYS 5 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1den h LYS 5 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1den h LYS 5 CO 0.60 0.10 0.00 1.47 -2.27 0.00 0.00 179.45 179.34 1den n LEU 6 N -4.03 0.00 -0.03 5.20 -0.00 -1.26 -2.57 117.00 114.31 1den n LEU 6 Ca -0.02 0.44 -0.14 0.00 -0.00 0.00 0.00 56.01 56.29 1den n LEU 6 Cb 0.19 -0.44 -0.10 0.00 -0.00 0.00 0.00 43.42 43.06 1den n LEU 6 CO 0.32 -0.28 0.52 0.00 -0.00 0.00 0.00 177.39 177.95 1den n ILE 8 N -4.63 1.61 0.04 0.00 -5.35 -1.06 -4.32 119.36 105.65 1den n ILE 8 Ca -0.08 -0.72 -0.08 0.00 -0.27 0.00 0.00 62.75 61.60 1den n ILE 8 Cb 0.39 -0.63 0.08 0.00 -1.74 0.00 0.00 39.64 37.74 1den n ILE 8 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1den h LEU 9 N 1.28 0.48 -0.34 7.28 7.12 -1.58 -3.50 115.31 126.05 1den h LEU 9 Ca 0.16 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1den h LEU 9 Cb 1.52 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 1den h LEU 9 CO 0.36 0.96 0.00 1.41 -0.13 0.00 0.00 178.44 181.04 1den n HIS 10 N -3.92 0.00 -1.46 1.25 8.25 -1.26 -5.03 115.22 113.05 1den n HIS 10 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1den n HIS 10 Cb 0.62 -1.25 0.01 0.00 1.12 0.00 0.00 29.99 30.49 1den n HIS 10 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1den n ARG 11 N 0.65 0.62 -3.52 -0.41 0.00 -1.26 -4.93 116.66 107.81 1den n ARG 11 Ca 0.00 0.23 -0.27 0.00 -0.00 0.00 0.00 57.85 57.81 1den n ARG 11 Cb 0.00 -1.56 -0.10 0.00 -0.00 0.00 0.00 32.46 30.80 1den n ARG 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1den n ASN 12 N 1.17 1.17 -0.34 2.89 4.13 -1.26 -5.00 115.26 118.01 1den n ASN 12 Ca 0.11 -2.80 0.21 0.00 1.68 0.00 0.00 54.58 53.78 1den n ASN 12 Cb 0.40 -0.64 0.44 0.00 -1.54 0.00 0.00 39.78 38.44 1den n ASN 12 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1den h PRO 13 N 5.13 0.46 0.00 3.52 0.11 -1.86 -3.19 132.00 136.17 1den h PRO 13 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1den h PRO 13 Cb 0.83 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1den h PRO 13 CO 0.54 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 1den n GLY 14 N -1.35 2.29 2.84 -0.55 0.00 -1.25 -1.25 105.19 105.93 1den n GLY 14 Ca 0.28 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1den n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1den n ARG 15 N 1.75 3.89 0.00 1.61 3.00 -1.25 -4.39 116.66 121.27 1den n ARG 15 Ca 0.00 -3.71 0.00 0.00 -0.01 0.00 0.00 57.85 54.13 1den n ARG 15 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 32.46 29.64 1den n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1den n TYR 17 N 0.00 -0.80 0.00 0.00 4.01 -0.42 -4.49 117.16 115.46 1den n TYR 17 Ca 0.00 0.48 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 1den n TYR 17 Cb 0.28 -2.25 0.00 0.00 -0.31 0.00 0.00 39.34 37.06 1den n TYR 17 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1den n GLN 18 N 0.26 0.00 0.00 -0.72 7.27 -1.26 -2.67 117.38 120.27 1den n GLN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1den n GLN 18 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1den n GLN 18 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1den n LYS 19 N 0.00 0.05 -3.10 3.69 3.00 -0.10 -4.53 118.16 117.18 1den n LYS 19 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 1den n LYS 19 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.98 1den n LYS 19 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1den n ILE 20 N 0.00 -0.59 -1.97 3.15 5.41 -1.15 -4.98 119.36 119.24 1den n ILE 20 Ca 0.00 -3.15 -0.42 0.00 1.00 0.00 0.00 62.75 60.19 1den n ILE 20 Cb 0.00 -0.94 -0.02 0.00 -0.71 0.00 0.00 39.64 37.96 1den n ILE 20 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1den s PRO 21 N -0.41 4.24 0.00 0.38 0.02 -1.26 -3.20 135.00 134.76 1den s PRO 21 Ca 0.34 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1den s PRO 21 Cb 0.15 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1den s PRO 21 CO -0.15 -0.49 0.00 0.00 -0.33 0.00 0.00 177.00 176.03 1den n ALA 22 N 2.71 0.00 -2.18 -1.55 0.00 -0.50 -4.91 120.51 114.07 1den n ALA 22 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 1den n ALA 22 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 1den n ALA 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1den s PHE 23 N 0.67 0.97 -0.00 0.00 0.40 0.87 -0.98 117.98 119.90 1den s PHE 23 Ca 0.00 -1.12 -0.08 0.00 -0.60 0.00 0.00 56.93 55.14 1den s PHE 23 Cb 0.00 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.97 1den s PHE 23 CO 0.00 -0.36 0.15 1.52 0.70 0.00 0.00 175.22 177.23 1den s TYR 24 N -3.86 0.02 -0.39 0.36 1.13 0.40 -1.71 117.35 113.30 1den s TYR 24 Ca 0.22 -0.08 -0.29 0.00 -1.41 0.00 0.00 57.07 55.51 1den s TYR 24 Cb 0.07 -0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.91 1den s TYR 24 CO 0.01 -0.28 1.16 -0.47 -2.51 0.00 0.00 175.55 173.46 1den s TYR 25 N -1.29 2.89 -0.43 -3.49 5.04 -1.26 -0.67 117.35 118.14 1den s TYR 25 Ca -0.14 0.91 -0.28 0.00 -2.44 0.00 0.00 57.07 55.12 1den s TYR 25 Cb -0.07 -4.08 0.02 0.00 0.35 0.00 0.00 41.96 38.18 1den s TYR 25 CO 0.02 -1.21 1.06 1.21 -1.34 0.00 0.00 175.55 175.28 1den s ASN 26 N 2.33 6.67 0.00 4.32 3.84 -0.57 -4.92 114.94 126.61 1den s ASN 26 Ca 0.49 0.53 0.00 0.00 0.21 0.00 0.00 52.86 54.09 1den s ASN 26 Cb -0.11 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 1den s ASN 26 CO 0.25 -1.09 0.30 0.00 -2.79 0.00 0.00 177.10 173.77 1den n GLN 27 N 7.38 0.59 0.00 0.43 6.02 -1.26 -1.05 117.38 129.49 1den n GLN 27 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1den n GLN 27 Cb 0.48 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1den n GLN 27 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1den n LYS 28 N 0.18 0.00 0.13 -1.09 4.01 -1.26 -4.79 118.16 115.34 1den n LYS 28 Ca 0.00 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.56 1den n LYS 28 Cb 0.14 -0.83 -0.16 0.00 -0.51 0.00 0.00 35.03 33.68 1den n LYS 28 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1den h LYS 29 N 0.00 0.51 -4.11 1.97 3.64 -1.96 -3.49 116.57 113.14 1den h LYS 29 Ca 0.00 -0.88 -0.10 0.00 -1.27 0.00 0.00 60.65 58.40 1den h LYS 29 Cb 0.77 0.33 0.08 0.00 -0.41 0.00 0.00 32.23 32.99 1den h LYS 29 CO 0.00 1.42 -0.34 1.63 -2.27 0.00 0.00 179.45 179.89 1den n LYS 30 N -3.75 -0.96 -3.59 1.90 5.02 -0.21 -5.05 118.16 111.51 1den n LYS 30 Ca -0.17 0.47 0.01 0.00 -2.02 0.00 0.00 58.31 56.60 1den n LYS 30 Cb 1.08 -3.46 -0.01 0.00 -0.02 0.00 0.00 35.03 32.62 1den n LYS 30 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1den s GLN 31 N -3.54 0.04 -0.29 1.97 0.74 -1.25 -5.04 119.66 112.28 1den s GLN 31 Ca 0.18 -0.02 -0.24 0.00 0.05 0.00 0.00 55.36 55.33 1den s GLN 31 Cb -0.02 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.10 1den s GLN 31 CO 0.34 -0.02 0.83 0.00 -0.55 0.00 0.00 175.29 175.89 1den s GLU 33 N 3.01 3.11 0.16 0.00 2.56 0.16 -4.85 118.70 122.84 1den s GLU 33 Ca 0.34 -0.30 -0.21 0.00 0.00 0.00 0.00 54.97 54.80 1den s GLU 33 Cb -0.14 -2.48 -0.08 0.00 2.00 0.00 0.00 34.13 33.43 1den s GLU 33 CO 0.12 -0.33 0.69 0.20 -0.56 0.00 0.00 175.26 175.37 1den s GLY 34 N -4.21 2.73 0.01 -1.50 0.00 -1.26 -0.46 107.32 102.62 1den s GLY 34 Ca 0.49 0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.40 1den s GLY 34 CO 0.40 0.60 -0.03 -0.11 0.00 0.00 0.00 173.10 173.97 1den s PHE 35 N -1.27 0.23 -0.24 1.90 -0.71 -0.15 -4.80 117.98 112.94 1den s PHE 35 Ca 0.36 -0.15 -0.17 0.00 -1.04 0.00 0.00 56.93 55.93 1den s PHE 35 Cb -0.20 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.43 1den s PHE 35 CO 0.22 -0.04 0.46 0.99 -1.34 0.00 0.00 175.22 175.51 1den s THR 36 N -0.37 5.13 -0.47 -4.49 2.01 -1.26 -1.41 115.64 114.77 1den s THR 36 Ca -0.03 0.79 -0.28 0.00 0.31 0.00 0.00 61.69 62.48 1den s THR 36 Cb -0.03 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1den s THR 36 CO -0.00 0.15 1.41 0.86 -0.69 0.00 0.00 174.62 176.35 1den s TRP 37 N 1.91 2.36 -1.48 4.92 -0.00 -1.20 -4.78 118.94 120.68 1den s TRP 37 Ca 0.20 0.61 -0.11 0.00 -0.00 0.00 0.00 56.10 56.80 1den s TRP 37 Cb -0.15 -4.34 -0.05 0.00 -0.00 0.00 0.00 33.47 28.92 1den s TRP 37 CO 0.09 -1.96 2.65 0.43 -0.00 0.00 0.00 176.95 178.17 1den n SER 38 N 9.10 6.88 -1.13 5.86 7.64 -0.38 -0.92 113.62 140.66 1den n SER 38 Ca 0.15 -2.62 0.15 0.00 1.01 0.00 0.00 58.87 57.56 1den n SER 38 Cb 0.48 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.12 1den n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1den n GLY 39 N 3.77 -1.96 0.87 0.23 0.00 -1.09 -1.30 105.19 105.71 1den n GLY 39 Ca 0.67 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1den n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1den n GLY 41 N 0.00 -0.53 3.65 0.00 0.00 -1.26 -4.96 105.19 102.08 1den n GLY 41 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1den n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1den s GLY 42 N -0.33 0.33 0.00 -0.02 0.00 -1.21 -3.74 107.32 102.36 1den s GLY 42 Ca 0.73 3.51 0.00 0.00 0.00 0.00 0.00 44.72 48.95 1den s GLY 42 CO 0.55 2.67 0.00 0.70 0.00 0.00 0.00 173.10 177.02 1den n ASN 43 N 3.34 0.17 0.06 1.64 4.13 -1.26 -5.06 115.26 118.27 1den n ASN 43 Ca -0.18 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.11 1den n ASN 43 Cb 0.57 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.75 1den n ASN 43 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1den h SER 44 N 0.00 0.00 0.00 6.41 0.02 -1.97 -3.36 113.55 114.65 1den h SER 44 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1den h SER 44 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1den h SER 44 CO 0.00 0.45 0.00 -3.20 -1.14 0.00 0.00 176.83 172.94 1den n ASN 45 N -2.88 0.46 -4.55 3.07 2.85 -1.26 -4.72 115.26 108.23 1den n ASN 45 Ca -0.07 -1.34 -0.42 0.00 -0.11 0.00 0.00 54.58 52.64 1den n ASN 45 Cb 0.77 -0.23 -0.07 0.00 1.24 0.00 0.00 39.78 41.49 1den n ASN 45 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1den s ARG 46 N -1.31 3.54 -0.04 1.20 3.52 -1.26 -4.29 118.95 120.31 1den s ARG 46 Ca 0.00 -0.13 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1den s ARG 46 Cb 0.00 -3.85 0.01 0.00 -1.56 0.00 0.00 34.95 29.55 1den s ARG 46 CO 0.00 -0.81 -0.07 -0.06 -0.81 0.00 0.00 175.30 173.55 1den s PHE 47 N 2.68 0.90 0.05 5.12 0.08 -0.69 -5.02 117.98 121.10 1den s PHE 47 Ca 0.23 -0.26 -0.19 0.00 0.12 0.00 0.00 56.93 56.83 1den s PHE 47 Cb -0.15 -0.71 -0.15 0.00 -0.57 0.00 0.00 43.02 41.44 1den s PHE 47 CO 0.16 -0.17 1.31 0.87 -0.10 0.00 0.00 175.22 177.28 1den h LYS 48 N 6.87 0.47 -5.82 0.44 1.79 -1.95 0.25 116.57 118.63 1den h LYS 48 Ca -0.35 -0.30 -0.51 0.00 -2.18 0.00 0.00 60.65 57.31 1den h LYS 48 Cb 1.17 0.04 -0.15 0.00 -1.58 0.00 0.00 32.23 31.70 1den h LYS 48 CO 0.48 0.90 -0.75 0.95 -1.08 0.00 0.00 179.45 179.95 1den s THR 49 N -4.04 1.92 0.35 -0.16 -4.23 -1.26 -4.59 115.64 103.62 1den s THR 49 Ca -0.13 -2.16 0.24 0.00 -1.18 0.00 0.00 61.69 58.45 1den s THR 49 Cb 0.06 -2.04 0.24 0.00 1.34 0.00 0.00 72.50 72.10 1den s THR 49 CO 0.79 -0.47 1.97 0.40 -0.54 0.00 0.00 174.62 176.78 1den h ILE 50 N 2.72 0.70 0.18 2.99 2.04 -1.90 -1.47 117.51 122.76 1den h ILE 50 Ca -0.40 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1den h ILE 50 Cb 1.22 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1den h ILE 50 CO 0.58 0.18 -0.09 -0.33 0.00 0.00 0.00 178.15 178.50 1den h GLU 51 N 0.00 -0.23 -1.03 2.37 5.08 -1.98 -1.74 114.58 117.04 1den h GLU 51 Ca -0.00 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.64 1den h GLU 51 Cb 0.48 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.67 1den h GLU 51 CO 0.02 0.05 0.64 0.93 -1.00 0.00 0.00 179.01 179.66 1den h GLU 52 N -1.00 0.45 0.61 2.33 5.08 -1.98 0.27 114.58 120.33 1den h GLU 52 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1den h GLU 52 Cb 0.39 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1den h GLU 52 CO 0.04 0.30 -0.29 0.00 -1.00 0.00 0.00 179.01 178.06 1den h ARG 54 N -1.04 0.00 -1.05 0.00 3.08 -0.09 -0.79 114.38 114.49 1den h ARG 54 Ca -0.08 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.24 1den h ARG 54 Cb 0.62 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.57 1den h ARG 54 CO 0.14 0.00 0.66 0.00 -1.07 0.00 0.00 179.97 179.70 1den h ARG 55 N 0.00 0.40 0.00 0.04 3.08 -0.59 -1.50 114.38 115.81 1den h ARG 55 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1den h ARG 55 Cb 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1den h ARG 55 CO 0.00 0.27 -0.96 2.41 -1.07 0.00 0.00 179.97 180.62 1den n THR 56 N -4.69 0.00 1.36 2.04 -1.04 -1.14 -4.28 114.28 106.53 1den n THR 56 Ca 0.26 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.42 1den n THR 56 Cb 0.88 -0.92 0.61 0.00 -1.82 0.00 0.00 70.33 69.08 1den n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1den n ILE 58 N -1.05 0.00 -1.65 0.00 2.08 -0.57 -4.03 119.36 114.15 1den n ILE 58 Ca 0.14 -0.04 -0.34 0.00 0.56 0.00 0.00 62.75 63.07 1den n ILE 58 Cb 0.28 0.42 0.06 0.00 -0.75 0.00 0.00 39.64 39.66 1den n ILE 58 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1den s ARG 59 N -1.26 2.55 0.00 0.38 6.06 -1.21 -4.17 118.95 121.30 1den s ARG 59 Ca 0.00 1.55 0.00 0.00 -2.50 0.00 0.00 55.73 54.78 1den s ARG 59 Cb 0.00 -1.91 0.00 0.00 0.06 0.00 0.00 34.95 33.10 1den s ARG 59 CO 0.00 -1.47 0.37 1.63 -2.50 0.00 0.00 175.30 173.33