#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 2.36 1.18 3.69 0.04 -1.26 -4.76 135.00 136.25 1den s PRO 2 Ca 0.00 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 1den s PRO 2 Cb 0.00 -1.91 0.23 0.00 0.04 0.00 0.00 34.50 32.86 1den s PRO 2 CO 0.00 -1.57 0.60 1.47 0.04 0.00 0.00 177.00 177.54 1den n LEU 3 N -3.29 -2.11 -4.17 -3.56 -0.00 -1.26 -5.06 117.00 97.56 1den n LEU 3 Ca 0.09 -0.19 -0.11 0.00 -0.00 0.00 0.00 56.01 55.80 1den n LEU 3 Cb 0.53 -1.12 -0.09 0.00 -0.00 0.00 0.00 43.42 42.73 1den n LEU 3 CO 0.52 -3.27 -0.19 0.00 -0.00 0.00 0.00 177.39 174.45 1den s ARG 4 N -4.00 1.22 0.19 1.47 3.03 -1.26 -5.05 118.95 114.56 1den s ARG 4 Ca 0.64 -1.56 0.14 0.00 2.03 0.00 0.00 55.73 56.97 1den s ARG 4 Cb -0.20 0.29 0.73 0.00 -1.03 0.00 0.00 34.95 34.75 1den s ARG 4 CO 0.66 -0.41 1.43 1.63 -1.13 0.00 0.00 175.30 177.48 1den n LYS 5 N -0.27 0.09 -0.14 3.89 5.02 -1.26 -2.18 118.16 123.31 1den n LYS 5 Ca 0.01 0.56 0.09 0.00 -2.02 0.00 0.00 58.31 56.95 1den n LYS 5 Cb 0.65 -1.78 0.43 0.00 -0.02 0.00 0.00 35.03 34.31 1den n LYS 5 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1den h LEU 6 N 0.00 0.52 0.00 -0.35 7.12 -1.97 -0.66 115.31 119.97 1den h LEU 6 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1den h LEU 6 Cb 0.04 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1den h LEU 6 CO 0.00 0.32 -0.29 0.00 -0.13 0.00 0.00 178.44 178.34 1den n ILE 8 N -1.95 0.23 -0.05 0.00 2.08 -0.31 -4.26 119.36 115.10 1den n ILE 8 Ca 0.05 -0.31 -0.15 0.00 0.56 0.00 0.00 62.75 62.90 1den n ILE 8 Cb 0.40 0.09 -0.07 0.00 -0.75 0.00 0.00 39.64 39.31 1den n ILE 8 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1den h LEU 9 N 0.00 0.61 -0.12 1.39 3.38 -1.46 -3.50 115.31 115.61 1den h LEU 9 Ca 0.00 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.47 1den h LEU 9 Cb 0.79 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1den h LEU 9 CO 0.00 1.07 -0.25 1.41 0.09 0.00 0.00 178.44 180.76 1den n HIS 10 N -4.29 -0.81 -1.43 1.13 8.25 -1.26 -4.98 115.22 111.83 1den n HIS 10 Ca -0.07 0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 57.45 1den n HIS 10 Cb 0.53 -0.73 0.03 0.00 1.12 0.00 0.00 29.99 30.93 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 -2.58 0.46 -3.78 -0.41 0.00 -1.07 -4.65 116.66 104.63 1den n ARG 11 Ca -0.02 0.18 -0.29 0.00 -0.00 0.00 0.00 57.85 57.72 1den n ARG 11 Cb 0.14 -1.55 -0.12 0.00 -0.00 0.00 0.00 32.46 30.93 1den n ARG 11 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1den s ASN 12 N -1.09 3.90 0.13 2.89 0.01 -1.17 -5.02 114.94 114.59 1den s ASN 12 Ca 0.66 -3.28 -0.30 0.00 -0.71 0.00 0.00 52.86 49.23 1den s ASN 12 Cb -0.49 -1.29 -0.06 0.00 0.41 0.00 0.00 41.25 39.81 1den s ASN 12 CO 0.57 -0.17 1.58 -0.65 -1.51 0.00 0.00 177.10 176.92 1den h PRO 13 N 5.96 -0.48 -3.63 -0.60 0.11 -1.87 -3.05 132.00 128.45 1den h PRO 13 Ca 0.09 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1den h PRO 13 Cb 0.85 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1den h PRO 13 CO 0.60 -0.32 -0.44 0.41 -0.21 0.00 0.00 178.00 178.04 1den n GLY 14 N -1.44 -3.56 3.56 -0.55 0.00 -1.26 -1.38 105.19 100.56 1den n GLY 14 Ca -0.04 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1den n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1den s ARG 15 N -0.78 2.26 0.00 1.61 0.52 -1.26 -1.49 118.95 119.82 1den s ARG 15 Ca -0.06 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1den s ARG 15 Cb 0.00 -4.88 0.00 0.00 0.52 0.00 0.00 34.95 30.59 1den s ARG 15 CO 0.25 -3.62 0.00 0.00 0.02 0.00 0.00 175.30 171.95 1den n TYR 17 N -0.27 0.00 0.00 0.00 4.01 -0.26 -4.78 117.16 115.85 1den n TYR 17 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1den n TYR 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.63 0.00 0.00 -0.72 7.27 -0.35 -4.74 117.38 118.21 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 0.12 0.00 -3.21 3.69 4.81 -0.82 -4.84 118.16 117.90 1den n LYS 19 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1den n LYS 19 Cb 0.00 -0.02 -0.06 0.00 0.02 0.00 0.00 35.03 34.97 1den n LYS 19 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1den n ILE 20 N 0.00 1.31 -2.01 3.15 2.08 -1.19 -5.01 119.36 117.70 1den n ILE 20 Ca 0.00 -4.89 -0.42 0.00 0.56 0.00 0.00 62.75 58.01 1den n ILE 20 Cb 0.07 -1.60 -0.03 0.00 -0.75 0.00 0.00 39.64 37.33 1den n ILE 20 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1den s PRO 21 N -2.36 4.26 0.00 0.38 0.04 -1.26 -3.23 135.00 132.83 1den s PRO 21 Ca 0.41 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1den s PRO 21 Cb 0.22 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1den s PRO 21 CO -0.08 -0.49 0.00 0.00 0.04 0.00 0.00 177.00 176.48 1den n ALA 22 N 3.11 0.00 -2.38 8.56 0.00 -0.47 -4.92 120.51 124.41 1den n ALA 22 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1den n ALA 22 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 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 0.28 0.50 0.03 0.00 0.40 0.10 -0.89 117.98 118.39 1den s PHE 23 Ca 0.00 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.45 1den s PHE 23 Cb 0.00 -0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.16 1den s PHE 23 CO 0.00 -0.29 -0.03 1.52 0.70 0.00 0.00 175.22 177.12 1den s TYR 24 N -3.09 0.33 -0.44 0.36 1.13 0.08 -1.70 117.35 114.02 1den s TYR 24 Ca 0.00 -0.58 -0.29 0.00 -1.41 0.00 0.00 57.07 54.80 1den s TYR 24 Cb 0.02 -0.23 0.02 0.00 -1.10 0.00 0.00 41.96 40.67 1den s TYR 24 CO -0.06 -0.20 1.21 -0.47 -2.51 0.00 0.00 175.55 173.51 1den s TYR 25 N -1.69 2.74 -0.56 -3.49 5.04 -1.26 -0.58 117.35 117.54 1den s TYR 25 Ca -0.13 0.76 -0.28 0.00 -2.44 0.00 0.00 57.07 54.98 1den s TYR 25 Cb -0.08 -4.32 0.03 0.00 0.35 0.00 0.00 41.96 37.94 1den s TYR 25 CO -0.02 -1.42 1.15 1.21 -1.34 0.00 0.00 175.55 175.14 1den s ASN 26 N 2.75 6.46 -0.34 4.32 3.04 -0.56 -4.90 114.94 125.71 1den s ASN 26 Ca 0.51 0.11 -0.05 0.00 0.04 0.00 0.00 52.86 53.47 1den s ASN 26 Cb -0.10 -2.54 -0.09 0.00 -1.54 0.00 0.00 41.25 36.99 1den s ASN 26 CO 0.30 -1.41 3.15 0.00 -3.04 0.00 0.00 177.10 176.10 1den n GLN 27 N 8.22 2.38 0.00 0.43 6.02 -1.26 -2.18 117.38 130.99 1den n GLN 27 Ca 0.08 -1.79 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 1den n GLN 27 Cb 0.49 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.62 1den n GLN 27 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1den n LYS 28 N 1.75 0.18 0.00 -1.09 4.81 -1.26 -5.03 118.16 117.52 1den n LYS 28 Ca 0.48 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1den n LYS 28 Cb 0.69 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 35.14 1den n LYS 28 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1den n LYS 29 N -1.47 0.00 -0.33 1.64 3.00 -0.93 -5.11 118.16 114.96 1den n LYS 29 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1den n LYS 29 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.12 1den n LYS 29 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1den n LYS 30 N 0.00 0.00 -3.82 1.64 2.85 -1.17 -5.02 118.16 112.64 1den n LYS 30 Ca 0.00 -0.09 -0.05 0.00 -1.05 0.00 0.00 58.31 57.12 1den n LYS 30 Cb 0.00 0.09 0.00 0.00 -0.65 0.00 0.00 35.03 34.47 1den n LYS 30 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1den s GLN 31 N 0.00 1.63 -0.43 -1.58 0.74 -1.26 -5.02 119.66 113.74 1den s GLN 31 Ca 0.00 -0.99 -0.29 0.00 0.05 0.00 0.00 55.36 54.13 1den s GLN 31 Cb 0.00 0.49 0.03 0.00 1.10 0.00 0.00 33.01 34.63 1den s GLN 31 CO 0.00 -0.76 1.12 0.00 -0.55 0.00 0.00 175.29 175.11 1den s GLU 33 N 4.22 3.62 0.64 0.00 0.41 0.25 -4.81 118.70 123.03 1den s GLU 33 Ca 0.47 -0.06 -0.12 0.00 -0.41 0.00 0.00 54.97 54.86 1den s GLU 33 Cb -0.09 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.53 1den s GLU 33 CO 0.27 0.30 1.04 0.20 -0.49 0.00 0.00 175.26 176.58 1den s GLY 34 N -2.99 1.78 -0.08 -1.39 0.00 -1.26 -0.74 107.32 102.63 1den s GLY 34 Ca 0.43 0.10 -0.16 0.00 0.00 0.00 0.00 44.72 45.08 1den s GLY 34 CO 0.28 0.39 0.39 -0.11 0.00 0.00 0.00 173.10 174.05 1den s PHE 35 N -2.94 -0.35 -0.25 1.90 -0.71 -0.07 -4.75 117.98 110.81 1den s PHE 35 Ca 0.58 0.73 -0.10 0.00 -1.04 0.00 0.00 56.93 57.11 1den s PHE 35 Cb -0.13 0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 1den s PHE 35 CO 0.49 -0.33 0.15 0.99 -1.34 0.00 0.00 175.22 175.19 1den s THR 36 N -0.58 5.13 -0.40 -4.49 2.01 -1.26 -1.36 115.64 114.68 1den s THR 36 Ca -0.07 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 1den s THR 36 Cb -0.04 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1den s THR 36 CO 0.03 0.32 1.49 0.86 -0.69 0.00 0.00 174.62 176.62 1den s TRP 37 N 1.37 2.28 -2.00 4.92 -0.00 -1.20 -4.80 118.94 119.51 1den s TRP 37 Ca 0.07 0.66 0.00 0.00 -0.00 0.00 0.00 56.10 56.83 1den s TRP 37 Cb -0.15 -4.28 0.02 0.00 -0.00 0.00 0.00 33.47 29.07 1den s TRP 37 CO 0.07 -2.17 0.58 0.43 -0.00 0.00 0.00 176.95 175.85 1den n SER 38 N 9.12 0.00 0.00 5.86 7.64 -0.48 -1.95 113.62 133.81 1den n SER 38 Ca 0.18 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1den n SER 38 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.06 0.64 3.58 0.23 0.00 -0.55 -1.10 105.19 108.05 1den n GLY 39 Ca 0.00 -2.20 -0.44 0.00 0.00 0.00 0.00 46.02 43.38 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 5.80 -0.81 0.00 0.00 0.00 -1.26 -4.37 105.19 104.55 1den n GLY 41 Ca 0.31 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1den n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1den n GLY 42 N 0.17 1.16 0.00 -0.02 0.00 -1.15 -4.93 105.19 100.42 1den n GLY 42 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1den n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1den n ASN 43 N -0.15 0.00 -1.95 1.61 0.23 -1.26 -4.52 115.26 109.22 1den n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1den n ASN 43 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1den n ASN 43 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1den n SER 44 N 0.00 -6.75 -0.99 0.53 3.41 -1.26 -3.07 113.62 105.49 1den n SER 44 Ca 0.00 1.32 -0.09 0.00 -0.26 0.00 0.00 58.87 59.84 1den n SER 44 Cb 0.00 -4.22 -0.00 0.00 -0.26 0.00 0.00 64.21 59.72 1den n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1den n ASN 45 N 1.73 -3.03 -4.43 4.04 2.85 -1.20 -2.58 115.26 112.64 1den n ASN 45 Ca 0.00 -0.01 -0.44 0.00 -0.11 0.00 0.00 54.58 54.01 1den n ASN 45 Cb 0.00 -2.30 -0.01 0.00 1.24 0.00 0.00 39.78 38.71 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 -4.46 3.88 -0.12 1.20 3.52 -1.26 -3.97 118.95 117.75 1den s ARG 46 Ca 0.01 -2.37 -0.00 0.00 -0.13 0.00 0.00 55.73 53.24 1den s ARG 46 Cb -0.00 -4.87 -0.02 0.00 -1.56 0.00 0.00 34.95 28.50 1den s ARG 46 CO 0.01 -1.64 -0.11 -0.06 -0.81 0.00 0.00 175.30 172.68 1den s PHE 47 N 1.41 2.84 -0.02 5.12 0.08 -0.69 -4.93 117.98 121.79 1den s PHE 47 Ca 0.35 -0.46 -0.25 0.00 0.12 0.00 0.00 56.93 56.69 1den s PHE 47 Cb -0.05 -1.82 -0.19 0.00 -0.57 0.00 0.00 43.02 40.39 1den s PHE 47 CO -0.05 -0.08 1.19 0.87 -0.10 0.00 0.00 175.22 177.04 1den h LYS 48 N 6.38 -0.12 -6.30 0.44 1.57 -1.94 0.29 116.57 116.89 1den h LYS 48 Ca -0.31 0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 57.89 1den h LYS 48 Cb 1.20 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.43 1den h LYS 48 CO 0.56 0.32 -0.65 0.95 -0.57 0.00 0.00 179.45 180.05 1den s THR 49 N -4.18 3.61 0.26 -0.16 -4.23 -1.26 -4.69 115.64 104.99 1den s THR 49 Ca -0.15 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 58.97 1den s THR 49 Cb 0.02 -2.86 0.19 0.00 1.34 0.00 0.00 72.50 71.19 1den s THR 49 CO 0.61 -0.21 1.86 0.40 -0.54 0.00 0.00 174.62 176.74 1den h ILE 50 N 2.26 0.78 0.22 2.99 2.04 -1.89 -2.56 117.51 121.35 1den h ILE 50 Ca -0.46 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 1den h ILE 50 Cb 1.22 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1den h ILE 50 CO 0.58 0.26 -0.10 -0.33 0.00 0.00 0.00 178.15 178.56 1den h GLU 51 N 0.00 -0.28 -1.07 2.37 5.08 -1.97 -1.70 114.58 117.02 1den h GLU 51 Ca -0.00 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.66 1den h GLU 51 Cb 0.67 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 1den h GLU 51 CO 0.04 0.07 0.70 0.93 -1.00 0.00 0.00 179.01 179.75 1den h GLU 52 N -0.94 0.31 0.22 2.33 4.39 -1.99 0.38 114.58 119.29 1den h GLU 52 Ca -0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1den h GLU 52 Cb 0.48 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1den h GLU 52 CO 0.05 0.20 -0.11 0.00 -1.16 0.00 0.00 179.01 177.99 1den h ARG 54 N -0.93 0.00 -0.52 0.00 3.08 -0.09 -0.95 114.38 114.98 1den h ARG 54 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1den h ARG 54 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1den h ARG 54 CO 0.05 0.04 0.34 0.00 -1.07 0.00 0.00 179.97 179.33 1den h ARG 55 N 0.00 0.68 0.02 0.04 3.08 -0.38 0.15 114.38 117.97 1den h ARG 55 Ca -0.00 -0.04 -0.39 0.00 0.07 0.00 0.00 59.98 59.62 1den h ARG 55 Cb 0.11 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 1den h ARG 55 CO 0.01 0.45 -2.28 2.41 -1.07 0.00 0.00 179.97 179.49 1den n THR 56 N -4.46 1.56 0.03 2.04 -1.04 -0.98 -1.39 114.28 110.04 1den n THR 56 Ca 0.05 -0.49 -0.18 0.00 -2.04 0.00 0.00 64.05 61.39 1den n THR 56 Cb 0.05 -1.66 -0.14 0.00 -1.82 0.00 0.00 70.33 66.76 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 -3.41 0.00 -0.06 0.00 2.08 0.28 -4.86 119.36 113.40 1den n ILE 58 Ca -0.24 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 62.83 1den n ILE 58 Cb 1.05 0.55 0.00 0.00 -0.75 0.00 0.00 39.64 40.49 1den n ILE 58 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1den n ARG 59 N -1.80 0.00 0.00 0.38 0.63 0.15 -4.97 116.66 111.05 1den n ARG 59 Ca 0.00 0.06 0.16 0.00 -0.92 0.00 0.00 57.85 57.15 1den n ARG 59 Cb 0.40 0.00 0.94 0.00 0.45 0.00 0.00 32.46 34.25 1den n ARG 59 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48