#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1den n PRO 2 N 0.00 0.95 0.00 -1.09 -0.02 -1.26 -4.57 135.00 129.01 1den n PRO 2 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1den n PRO 2 Cb 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 30.54 1den n PRO 2 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1den n LEU 3 N 13.71 0.00 -3.58 2.45 4.32 -1.26 -4.70 117.00 127.94 1den n LEU 3 Ca 0.42 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 56.29 1den n LEU 3 Cb 0.40 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.14 1den n LEU 3 CO 0.75 0.00 0.66 0.00 -1.22 0.00 0.00 177.39 177.58 1den s ARG 4 N 0.00 0.70 -0.10 3.23 3.03 -1.26 -4.89 118.95 119.67 1den s ARG 4 Ca 0.00 0.35 0.08 0.00 2.03 0.00 0.00 55.73 58.19 1den s ARG 4 Cb 0.00 0.33 -0.24 0.00 -1.03 0.00 0.00 34.95 34.02 1den s ARG 4 CO 0.00 -0.18 0.44 1.63 -1.13 0.00 0.00 175.30 176.05 1den n LYS 5 N 1.29 0.67 0.00 3.89 5.02 -1.26 -4.36 118.16 123.41 1den n LYS 5 Ca -0.13 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 1den n LYS 5 Cb 0.57 -1.71 0.62 0.00 -0.02 0.00 0.00 35.03 34.49 1den n LYS 5 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1den n LEU 6 N -3.12 0.00 -1.73 -0.35 7.94 -1.26 -3.23 117.00 115.26 1den n LEU 6 Ca -0.25 0.21 -0.17 0.00 -1.11 0.00 0.00 56.01 54.68 1den n LEU 6 Cb 1.06 -0.21 0.06 0.00 0.53 0.00 0.00 43.42 44.87 1den n LEU 6 CO 0.43 -0.05 0.22 0.00 -1.11 0.00 0.00 177.39 176.88 1den n ILE 8 N -0.79 0.00 -2.47 0.00 5.41 -1.20 -4.93 119.36 115.37 1den n ILE 8 Ca 0.38 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.74 1den n ILE 8 Cb 0.91 -0.40 -0.03 0.00 -0.71 0.00 0.00 39.64 39.42 1den n ILE 8 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1den s LEU 9 N -2.87 3.53 -0.39 1.39 1.43 -1.25 -4.94 118.68 115.59 1den s LEU 9 Ca 0.00 -1.68 -0.45 0.00 -1.03 0.00 0.00 54.13 50.97 1den s LEU 9 Cb 0.00 -2.57 -0.20 0.00 0.03 0.00 0.00 46.19 43.45 1den s LEU 9 CO 0.00 -1.65 1.53 1.57 0.23 0.00 0.00 176.35 178.02 1den n HIS 10 N 9.69 1.61 -0.70 0.29 -0.00 -1.26 -4.28 115.22 120.57 1den n HIS 10 Ca 0.39 1.07 -0.33 0.00 -0.00 0.00 0.00 57.72 58.86 1den n HIS 10 Cb 0.49 -2.23 0.16 0.00 -0.00 0.00 0.00 29.99 28.41 1den n HIS 10 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1den n ARG 11 N 3.71 -1.34 -3.63 1.57 -4.01 -1.26 -4.82 116.66 106.87 1den n ARG 11 Ca 0.29 -0.37 -0.13 0.00 -1.04 0.00 0.00 57.85 56.60 1den n ARG 11 Cb -0.02 -1.71 -0.07 0.00 -3.04 0.00 0.00 32.46 27.62 1den n ARG 11 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 1den s ASN 12 N -1.85 -0.76 0.04 2.89 3.84 -1.26 -4.85 114.94 112.99 1den s ASN 12 Ca 0.56 1.44 -0.29 0.00 0.21 0.00 0.00 52.86 54.77 1den s ASN 12 Cb -0.13 1.44 -0.17 0.00 -0.55 0.00 0.00 41.25 41.84 1den s ASN 12 CO 0.66 -0.25 1.41 1.55 -2.79 0.00 0.00 177.10 177.69 1den h PRO 13 N 5.21 -0.74 0.00 0.43 0.13 -1.86 -3.30 132.00 131.86 1den h PRO 13 Ca -0.29 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1den h PRO 13 Cb 1.17 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1den h PRO 13 CO 0.06 -0.44 0.00 0.41 -0.23 0.00 0.00 178.00 177.80 1den n GLY 14 N -0.98 3.60 1.06 1.56 0.00 -1.26 -3.05 105.19 106.12 1den n GLY 14 Ca -0.12 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.23 1den n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1den n ARG 15 N -1.16 1.02 0.00 1.61 0.00 -1.26 -4.74 116.66 112.13 1den n ARG 15 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1den n ARG 15 Cb 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 32.46 31.44 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 -1.96 -3.99 0.00 4.11 -1.26 -5.16 117.16 108.91 1den n TYR 17 Ca 0.00 -1.61 -0.13 0.00 -0.00 0.00 0.00 57.90 56.16 1den n TYR 17 Cb 0.00 1.48 -0.01 0.00 -0.00 0.00 0.00 39.34 40.80 1den n TYR 17 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1den s GLN 18 N 0.18 2.07 -0.26 -3.48 0.74 -1.26 -5.03 119.66 112.60 1den s GLN 18 Ca 0.19 -1.67 -0.20 0.00 0.05 0.00 0.00 55.36 53.73 1den s GLN 18 Cb 0.29 0.51 0.07 0.00 1.10 0.00 0.00 33.01 34.99 1den s GLN 18 CO -0.09 -0.90 0.68 0.21 -0.55 0.00 0.00 175.29 174.64 1den s LYS 19 N -2.70 0.75 -0.40 1.67 2.20 -1.26 -4.38 119.74 115.62 1den s LYS 19 Ca 0.25 1.06 0.05 0.00 -0.36 0.00 0.00 55.97 56.97 1den s LYS 19 Cb -0.02 0.28 0.17 0.00 -1.51 0.00 0.00 37.83 36.75 1den s LYS 19 CO 0.18 -0.12 0.50 0.42 -0.36 0.00 0.00 175.35 175.96 1den s ILE 20 N 0.89 -0.58 0.25 5.43 -1.09 0.53 -4.68 121.20 121.94 1den s ILE 20 Ca -0.04 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.31 1den s ILE 20 Cb -0.05 -0.41 -0.10 0.00 -1.58 0.00 0.00 42.46 40.33 1den s ILE 20 CO -0.08 -0.37 1.36 -2.16 -1.23 0.00 0.00 174.94 172.46 1den s PRO 21 N 1.41 4.34 0.00 2.79 0.04 -1.26 -2.71 135.00 139.61 1den s PRO 21 Ca 0.19 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1den s PRO 21 Cb -0.09 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1den s PRO 21 CO -0.05 -0.30 0.00 0.00 0.04 0.00 0.00 177.00 176.69 1den n ALA 22 N 2.15 0.00 -2.19 8.56 0.00 -0.59 -4.91 120.51 123.53 1den n ALA 22 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1den n ALA 22 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 1.10 0.97 -0.01 0.00 0.40 0.25 -0.91 117.98 119.77 1den s PHE 23 Ca 0.00 -0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 55.24 1den s PHE 23 Cb 0.00 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.98 1den s PHE 23 CO 0.00 -0.21 0.23 1.52 0.70 0.00 0.00 175.22 177.46 1den s TYR 24 N -3.68 -0.08 -0.24 0.36 1.13 0.41 -1.45 117.35 113.81 1den s TYR 24 Ca 0.16 0.09 -0.29 0.00 -1.41 0.00 0.00 57.07 55.62 1den s TYR 24 Cb 0.06 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.95 1den s TYR 24 CO -0.02 -0.33 1.07 -0.47 -2.51 0.00 0.00 175.55 173.28 1den s TYR 25 N -1.30 3.27 -0.57 -3.49 5.04 -1.26 -0.99 117.35 118.05 1den s TYR 25 Ca -0.14 1.39 -0.28 0.00 -2.44 0.00 0.00 57.07 55.60 1den s TYR 25 Cb -0.06 -3.35 0.03 0.00 0.35 0.00 0.00 41.96 38.93 1den s TYR 25 CO 0.03 -0.63 1.25 -0.80 -1.34 0.00 0.00 175.55 174.06 1den s ASN 26 N 1.34 6.38 -0.10 4.32 -0.87 -0.55 -4.88 114.94 120.57 1den s ASN 26 Ca 0.45 0.18 -0.03 0.00 -1.57 0.00 0.00 52.86 51.89 1den s ASN 26 Cb -0.15 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.25 38.46 1den s ASN 26 CO 0.08 -1.53 2.71 0.00 -2.57 0.00 0.00 177.10 175.79 1den n GLN 27 N 8.47 1.66 0.00 -0.60 6.02 -1.26 -2.47 117.38 129.19 1den n GLN 27 Ca 0.10 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1den n GLN 27 Cb 0.49 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 1.64 0.00 0.00 -1.09 5.02 -1.26 -5.01 118.16 117.45 1den n LYS 28 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1den n LYS 28 Cb 0.67 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1den n LYS 28 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1den n LYS 29 N -1.91 0.00 0.00 1.97 4.81 -1.03 -5.10 118.16 116.90 1den n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1den n LYS 29 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1den n LYS 29 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1den n LYS 30 N 0.00 0.00 -3.63 1.64 2.85 -1.15 -5.05 118.16 112.81 1den n LYS 30 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1den n LYS 30 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 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 1.33 -0.39 -1.58 0.74 -1.26 -5.02 119.66 113.49 1den s GLN 31 Ca 0.00 -0.63 -0.28 0.00 0.05 0.00 0.00 55.36 54.50 1den s GLN 31 Cb 0.00 0.52 0.02 0.00 1.10 0.00 0.00 33.01 34.65 1den s GLN 31 CO 0.00 -0.60 1.05 0.00 -0.55 0.00 0.00 175.29 175.19 1den s GLU 33 N 3.88 3.04 0.31 0.00 2.12 -0.16 -4.83 118.70 123.05 1den s GLU 33 Ca 0.44 -0.77 -0.21 0.00 0.36 0.00 0.00 54.97 54.79 1den s GLU 33 Cb -0.10 -2.68 -0.09 0.00 0.26 0.00 0.00 34.13 31.51 1den s GLU 33 CO 0.22 -0.15 0.84 0.20 -0.54 0.00 0.00 175.26 175.83 1den s GLY 34 N -4.22 2.58 0.02 -1.50 0.00 -1.26 -0.44 107.32 102.49 1den s GLY 34 Ca 0.48 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 1den s GLY 34 CO 0.35 0.64 -0.01 -0.11 0.00 0.00 0.00 173.10 173.97 1den s PHE 35 N -1.77 0.26 -0.23 1.90 -0.71 -0.09 -4.78 117.98 112.56 1den s PHE 35 Ca 0.51 -0.53 -0.28 0.00 -1.04 0.00 0.00 56.93 55.59 1den s PHE 35 Cb -0.15 -0.19 0.01 0.00 -1.21 0.00 0.00 43.02 41.48 1den s PHE 35 CO 0.20 -0.21 0.99 0.99 -1.34 0.00 0.00 175.22 175.85 1den s THR 36 N -1.60 4.71 -0.24 -4.49 2.01 -1.26 -1.54 115.64 113.23 1den s THR 36 Ca -0.15 1.92 0.02 0.00 0.31 0.00 0.00 61.69 63.80 1den s THR 36 Cb -0.09 -4.27 0.05 0.00 0.01 0.00 0.00 72.50 68.21 1den s THR 36 CO -0.01 -0.16 -0.11 0.86 -0.69 0.00 0.00 174.62 174.50 1den s TRP 37 N 3.13 2.99 0.22 4.92 -0.00 -1.10 -4.22 118.94 124.88 1den s TRP 37 Ca 0.42 -2.08 -0.30 0.00 -0.00 0.00 0.00 56.10 54.14 1den s TRP 37 Cb -0.15 -1.85 -0.09 0.00 -0.00 0.00 0.00 33.47 31.38 1den s TRP 37 CO 0.06 -0.84 1.27 -1.12 -0.00 0.00 0.00 176.95 176.33 1den s SER 38 N 1.20 6.94 0.00 5.86 0.01 -1.17 -0.35 113.70 126.19 1den s SER 38 Ca -0.06 2.40 -0.02 0.00 1.31 0.00 0.00 55.95 59.59 1den s SER 38 Cb -0.18 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.36 1den s SER 38 CO -0.07 -0.47 1.72 0.61 0.41 0.00 0.00 173.24 175.44 1den n GLY 39 N 2.02 1.92 0.00 3.44 0.00 -1.26 -4.54 105.19 106.77 1den n GLY 39 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.09 -1.17 0.14 0.00 0.00 -1.26 -4.29 105.19 98.51 1den n GLY 41 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.30 -1.53 0.53 -0.02 0.00 -1.26 -4.16 105.19 97.45 1den n GLY 42 Ca 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 1den n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1den n ASN 43 N -1.72 -0.14 0.00 1.61 4.13 -1.24 -4.92 115.26 112.97 1den n ASN 43 Ca -0.00 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1den n ASN 43 Cb 0.07 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 1den n ASN 43 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1den n SER 44 N -3.14 0.00 -2.85 6.41 7.64 -1.26 -4.47 113.62 115.95 1den n SER 44 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 1den n SER 44 Cb 0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1den n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1den n ASN 45 N 0.00 -1.73 -4.63 6.43 5.15 -1.12 -4.44 115.26 114.92 1den n ASN 45 Ca 0.00 0.14 -0.40 0.00 -0.60 0.00 0.00 54.58 53.72 1den n ASN 45 Cb 0.00 -1.56 -0.07 0.00 -0.53 0.00 0.00 39.78 37.61 1den n ASN 45 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1den s ARG 46 N -5.40 4.10 -0.05 1.20 3.52 -1.26 -4.21 118.95 116.84 1den s ARG 46 Ca 0.15 0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 56.08 1den s ARG 46 Cb -0.09 -3.63 0.03 0.00 -1.56 0.00 0.00 34.95 29.70 1den s ARG 46 CO 0.19 -0.32 0.12 -0.06 -0.81 0.00 0.00 175.30 174.42 1den s PHE 47 N 2.19 -0.12 -0.06 5.12 0.08 -0.53 -5.00 117.98 119.66 1den s PHE 47 Ca 0.22 0.39 -0.27 0.00 0.12 0.00 0.00 56.93 57.39 1den s PHE 47 Cb -0.16 -0.10 -0.22 0.00 -0.57 0.00 0.00 43.02 41.98 1den s PHE 47 CO 0.09 -0.14 1.09 0.87 -0.10 0.00 0.00 175.22 177.04 1den h LYS 48 N 7.08 0.01 -6.77 0.44 1.57 -1.96 0.73 116.57 117.68 1den h LYS 48 Ca -0.41 -0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 57.68 1den h LYS 48 Cb 1.14 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.26 1den h LYS 48 CO 0.44 0.68 -0.84 0.95 -0.57 0.00 0.00 179.45 180.10 1den s THR 49 N -3.54 2.39 0.41 -0.16 -4.23 -1.26 -4.68 115.64 104.57 1den s THR 49 Ca -0.17 -1.83 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1den s THR 49 Cb 0.00 -2.10 0.17 0.00 1.34 0.00 0.00 72.50 71.91 1den s THR 49 CO 0.68 0.01 1.95 0.40 -0.54 0.00 0.00 174.62 177.12 1den h ILE 50 N 3.56 1.08 0.11 2.99 2.04 -1.89 -1.46 117.51 123.95 1den h ILE 50 Ca -0.49 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1den h ILE 50 Cb 1.18 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1den h ILE 50 CO 0.43 0.23 -0.05 -0.33 0.00 0.00 0.00 178.15 178.43 1den h GLU 51 N 0.00 -0.14 -0.84 2.37 5.08 -1.97 -1.66 114.58 117.42 1den h GLU 51 Ca -0.00 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1den h GLU 51 Cb 0.44 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1den h GLU 51 CO 0.03 0.35 0.56 0.93 -1.00 0.00 0.00 179.01 179.88 1den h GLU 52 N -0.82 0.39 0.55 2.33 3.07 -1.98 0.33 114.58 118.44 1den h GLU 52 Ca -0.02 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1den h GLU 52 Cb 0.56 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1den h GLU 52 CO 0.03 0.26 -0.26 0.00 -1.40 0.00 0.00 179.01 177.63 1den h ARG 54 N -1.19 0.00 -0.62 0.00 3.08 -0.26 -0.23 114.38 115.15 1den h ARG 54 Ca -0.07 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.12 1den h ARG 54 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1den h ARG 54 CO 0.12 0.02 0.43 0.00 -1.07 0.00 0.00 179.97 179.47 1den h ARG 55 N 0.00 0.22 0.00 0.04 2.47 -0.46 0.01 114.38 116.66 1den h ARG 55 Ca -0.00 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.48 1den h ARG 55 Cb 0.04 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1den h ARG 55 CO 0.00 0.14 -1.76 2.41 0.56 0.00 0.00 179.97 181.33 1den n THR 56 N -4.43 0.75 -0.02 2.04 -1.04 -1.02 -1.05 114.28 109.51 1den n THR 56 Ca 0.11 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1den n THR 56 Cb 0.54 -1.62 0.23 0.00 -1.82 0.00 0.00 70.33 67.65 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 -4.20 0.00 0.00 0.00 2.08 -0.15 -4.84 119.36 112.26 1den n ILE 58 Ca 0.01 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.07 1den n ILE 58 Cb 0.32 0.57 0.00 0.00 -0.75 0.00 0.00 39.64 39.78 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 -1.60 0.00 0.00 0.38 0.63 -0.40 -4.99 116.66 110.67 1den n ARG 59 Ca -0.00 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.09 1den n ARG 59 Cb 0.23 0.00 0.94 0.00 0.45 0.00 0.00 32.46 34.08 1den n ARG 59 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48