#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ra3 n PRO 2 N 0.00 0.64 0.01 2.89 -0.02 -1.26 -4.98 135.00 132.28 2ra3 n PRO 2 Ca 0.00 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 2ra3 n PRO 2 Cb 0.00 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 30.98 2ra3 n PRO 2 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ra3 h ASP 3 N -0.17 0.05 0.00 2.55 3.58 -2.03 -3.32 116.42 117.09 2ra3 h ASP 3 Ca -0.48 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2ra3 h ASP 3 Cb 1.32 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2ra3 h ASP 3 CO 0.49 0.17 0.00 2.22 -2.88 0.00 0.00 179.24 179.24 2ra3 n PHE 4 N -4.99 0.00 0.22 0.28 -1.74 -1.26 -2.99 117.46 106.97 2ra3 n PHE 4 Ca -0.07 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.88 2ra3 n PHE 4 Cb 0.09 0.00 0.49 0.00 1.52 0.00 0.00 39.48 41.59 2ra3 n PHE 4 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ra3 n LEU 6 N -4.01 1.46 -4.86 0.00 4.32 -1.16 -4.69 117.00 108.06 2ra3 n LEU 6 Ca -0.02 -0.54 -0.33 0.00 -0.02 0.00 0.00 56.01 55.10 2ra3 n LEU 6 Cb 0.32 -0.04 -0.06 0.00 -1.62 0.00 0.00 43.42 42.02 2ra3 n LEU 6 CO 0.36 0.27 0.27 -1.61 -1.22 0.00 0.00 177.39 175.46 2ra3 s GLU 7 N -1.92 3.91 0.29 3.23 0.41 -1.24 -5.01 118.70 118.37 2ra3 s GLU 7 Ca 0.36 0.44 -0.30 0.00 -0.41 0.00 0.00 54.97 55.07 2ra3 s GLU 7 Cb 0.19 -2.69 -0.12 0.00 -1.78 0.00 0.00 34.13 29.73 2ra3 s GLU 7 CO 0.31 0.33 1.44 -2.30 -0.49 0.00 0.00 175.26 174.55 2ra3 n PRO 8 N 0.11 2.32 -1.46 0.39 -0.02 -1.26 -4.89 135.00 130.19 2ra3 n PRO 8 Ca -0.01 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 2ra3 n PRO 8 Cb 0.52 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.57 2ra3 n PRO 8 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ra3 n PRO 9 N 1.54 0.62 -4.02 0.52 -0.04 -1.26 -4.97 135.00 127.39 2ra3 n PRO 9 Ca 0.08 0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 63.47 2ra3 n PRO 9 Cb 0.35 -2.09 -0.15 0.00 -0.04 0.00 0.00 33.50 31.58 2ra3 n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2ra3 s TYR 10 N -1.70 3.25 0.11 0.54 6.14 -1.26 -4.99 117.35 119.44 2ra3 s TYR 10 Ca 0.73 -2.14 -0.14 0.00 0.64 0.00 0.00 57.07 56.16 2ra3 s TYR 10 Cb -0.38 -1.99 -0.05 0.00 0.42 0.00 0.00 41.96 39.96 2ra3 s TYR 10 CO 0.50 -0.85 1.49 1.15 0.64 0.00 0.00 175.55 178.48 2ra3 h THR 11 N 6.63 1.29 0.00 4.34 2.02 -1.94 -3.43 112.91 121.81 2ra3 h THR 11 Ca -0.21 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.68 2ra3 h THR 11 Cb 1.05 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2ra3 h THR 11 CO 0.49 0.42 0.00 0.61 0.37 0.00 0.00 175.52 177.41 2ra3 n GLY 12 N -0.05 -1.14 0.12 2.16 0.00 -1.26 -0.87 105.19 104.15 2ra3 n GLY 12 Ca -0.02 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.51 2ra3 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ra3 h PRO 13 N 0.00 0.00 -7.40 1.61 0.13 -1.94 -3.44 132.00 120.97 2ra3 h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2ra3 h PRO 13 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2ra3 h PRO 13 CO 0.00 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.14 2ra3 n LYS 15 N -3.18 2.44 -1.34 0.00 5.02 -1.12 -4.28 118.16 115.71 2ra3 n LYS 15 Ca 0.07 -2.88 -0.29 0.00 -2.02 0.00 0.00 58.31 53.18 2ra3 n LYS 15 Cb 0.55 -1.79 0.13 0.00 -0.02 0.00 0.00 35.03 33.91 2ra3 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ra3 s ALA 16 N -2.93 1.64 -0.60 7.82 0.00 -0.10 -5.03 121.76 122.56 2ra3 s ALA 16 Ca 0.41 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.19 2ra3 s ALA 16 Cb 0.35 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 20.49 2ra3 s ALA 16 CO 0.06 -2.28 0.38 0.50 0.00 0.00 0.00 175.76 174.42 2ra3 s ARG 17 N -5.05 2.15 -0.23 0.00 3.00 -1.26 -4.17 118.95 113.40 2ra3 s ARG 17 Ca 0.63 -2.94 -0.07 0.00 -1.00 0.00 0.00 55.73 52.36 2ra3 s ARG 17 Cb -0.17 -3.26 -0.03 0.00 0.00 0.00 0.00 34.95 31.49 2ra3 s ARG 17 CO 0.56 -1.21 0.06 0.42 0.00 0.00 0.00 175.30 175.13 2ra3 s ILE 18 N -0.83 4.37 -0.30 4.11 1.01 -0.42 -4.95 121.20 124.20 2ra3 s ILE 18 Ca 0.21 -0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.43 2ra3 s ILE 18 Cb -0.14 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.32 2ra3 s ILE 18 CO -0.09 0.38 0.98 -0.63 0.00 0.00 0.00 174.94 175.58 2ra3 s ILE 19 N 1.25 4.63 0.41 2.92 1.01 -1.26 -0.67 121.20 129.49 2ra3 s ILE 19 Ca 0.05 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.37 2ra3 s ILE 19 Cb -0.15 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 2ra3 s ILE 19 CO 0.03 -0.34 0.03 -0.13 0.00 0.00 0.00 174.94 174.53 2ra3 s ARG 20 N 3.34 1.93 0.05 2.79 1.81 -0.65 -4.96 118.95 123.26 2ra3 s ARG 20 Ca 0.41 -2.13 0.05 0.00 -1.72 0.00 0.00 55.73 52.33 2ra3 s ARG 20 Cb -0.13 -1.32 -0.04 0.00 -0.45 0.00 0.00 34.95 33.01 2ra3 s ARG 20 CO 0.12 -0.20 -0.06 0.71 -0.68 0.00 0.00 175.30 175.20 2ra3 s TYR 21 N -2.94 2.88 0.21 -0.53 1.51 0.15 -0.71 117.35 117.91 2ra3 s TYR 21 Ca 0.28 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 2ra3 s TYR 21 Cb 0.07 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 2ra3 s TYR 21 CO 0.14 0.41 0.03 -0.59 -1.11 0.00 0.00 175.55 174.43 2ra3 s PHE 22 N -1.12 1.37 -0.31 2.71 -0.12 0.38 -0.27 117.98 120.62 2ra3 s PHE 22 Ca 0.20 -1.06 -0.27 0.00 -0.05 0.00 0.00 56.93 55.75 2ra3 s PHE 22 Cb -0.11 -0.79 0.01 0.00 -0.63 0.00 0.00 43.02 41.50 2ra3 s PHE 22 CO 0.12 -0.23 0.97 -0.47 -0.05 0.00 0.00 175.22 175.55 2ra3 s TYR 23 N -3.66 3.18 -0.48 3.49 6.04 -1.26 -0.96 117.35 123.70 2ra3 s TYR 23 Ca 0.29 1.07 -0.06 0.00 0.04 0.00 0.00 57.07 58.41 2ra3 s TYR 23 Cb 0.07 -3.49 0.13 0.00 -1.04 0.00 0.00 41.96 37.62 2ra3 s TYR 23 CO 0.08 -0.67 0.32 1.21 -1.54 0.00 0.00 175.55 174.95 2ra3 s ASN 24 N 1.61 5.52 1.12 4.32 2.47 -1.24 -4.80 114.94 123.93 2ra3 s ASN 24 Ca 0.40 -2.11 0.00 0.00 0.42 0.00 0.00 52.86 51.58 2ra3 s ASN 24 Cb -0.13 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.74 2ra3 s ASN 24 CO 0.14 -0.59 0.00 0.00 -3.72 0.00 0.00 177.10 172.92 2ra3 n ALA 25 N 4.57 0.00 1.57 1.71 0.00 -1.26 -3.48 120.51 123.62 2ra3 n ALA 25 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 2ra3 n ALA 25 Cb 0.41 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.48 2ra3 n ALA 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ra3 n LYS 26 N 12.99 1.25 -2.17 0.00 4.76 -1.26 -4.21 118.16 129.53 2ra3 n LYS 26 Ca 0.00 -0.57 -0.35 0.00 -2.87 0.00 0.00 58.31 54.53 2ra3 n LYS 26 Cb 0.00 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.72 2ra3 n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ra3 n ALA 27 N -0.38 5.91 -0.54 7.82 0.00 -1.23 -4.93 120.51 127.16 2ra3 n ALA 27 Ca 0.19 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.41 2ra3 n ALA 27 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2ra3 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ra3 n GLY 28 N -0.51 0.00 3.32 0.00 0.00 -1.26 -4.48 105.19 102.26 2ra3 n GLY 28 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 2ra3 n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ra3 s LEU 29 N -0.20 0.43 0.13 0.99 0.05 -1.26 -5.03 118.68 113.79 2ra3 s LEU 29 Ca 0.00 0.34 -0.20 0.00 0.05 0.00 0.00 54.13 54.32 2ra3 s LEU 29 Cb 0.00 1.60 -0.07 0.00 -2.05 0.00 0.00 46.19 45.66 2ra3 s LEU 29 CO 0.00 -0.45 0.64 0.00 -0.55 0.00 0.00 176.35 175.99 2ra3 s GLN 31 N -1.44 1.18 0.41 0.00 -0.21 -0.13 -4.94 119.66 114.52 2ra3 s GLN 31 Ca 0.35 -1.40 -0.09 0.00 0.02 0.00 0.00 55.36 54.23 2ra3 s GLN 31 Cb -0.19 -1.06 -0.06 0.00 1.00 0.00 0.00 33.01 32.71 2ra3 s GLN 31 CO 0.21 0.19 0.76 0.95 -2.12 0.00 0.00 175.29 175.28 2ra3 s THR 32 N -2.45 4.83 0.23 -0.19 -4.23 -1.26 -0.47 115.64 112.11 2ra3 s THR 32 Ca 0.15 0.49 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 2ra3 s THR 32 Cb -0.03 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.06 2ra3 s THR 32 CO 0.05 -0.57 0.53 0.72 -0.54 0.00 0.00 174.62 174.81 2ra3 s PHE 33 N -2.43 0.11 -0.33 3.99 -0.12 0.11 -4.88 117.98 114.43 2ra3 s PHE 33 Ca 0.50 -0.49 -0.18 0.00 -0.05 0.00 0.00 56.93 56.71 2ra3 s PHE 33 Cb -0.10 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.62 2ra3 s PHE 33 CO 0.34 -1.01 0.52 0.08 -0.05 0.00 0.00 175.22 175.10 2ra3 s VAL 34 N -3.95 5.02 -0.14 -2.49 1.01 -1.26 -1.64 120.40 116.95 2ra3 s VAL 34 Ca 0.16 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 2ra3 s VAL 34 Cb -0.02 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2ra3 s VAL 34 CO 0.05 -0.16 0.21 -0.47 0.00 0.00 0.00 175.10 174.73 2ra3 s TYR 35 N 2.39 3.52 -0.96 5.22 5.04 0.15 -4.23 117.35 128.48 2ra3 s TYR 35 Ca 0.19 0.54 0.28 0.00 -2.44 0.00 0.00 57.07 55.64 2ra3 s TYR 35 Cb -0.15 -2.15 1.04 0.00 0.35 0.00 0.00 41.96 41.05 2ra3 s TYR 35 CO 0.13 0.47 1.81 0.41 -1.34 0.00 0.00 175.55 177.02 2ra3 n GLY 36 N 2.77 -1.48 0.00 8.97 0.00 -0.05 -1.29 105.19 114.11 2ra3 n GLY 36 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2ra3 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ra3 n GLY 37 N 1.47 0.70 3.18 -0.02 0.00 -1.26 -0.92 105.19 108.34 2ra3 n GLY 37 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2ra3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ra3 n ARG 39 N 0.18 -2.58 -1.62 0.00 5.12 -1.26 -4.49 116.66 112.01 2ra3 n ARG 39 Ca -0.16 0.68 -0.44 0.00 -1.93 0.00 0.00 57.85 55.99 2ra3 n ARG 39 Cb 0.61 -5.00 -0.02 0.00 -1.16 0.00 0.00 32.46 26.90 2ra3 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ra3 n ALA 40 N -2.52 0.14 -1.98 7.54 0.00 -1.26 -4.87 120.51 117.56 2ra3 n ALA 40 Ca -0.12 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 2ra3 n ALA 40 Cb 0.61 -2.09 0.11 0.00 0.00 0.00 0.00 19.45 18.08 2ra3 n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ra3 s LYS 41 N -1.43 1.59 0.38 0.00 1.02 -1.26 -5.04 119.74 115.00 2ra3 s LYS 41 Ca 0.60 -1.01 0.20 0.00 0.02 0.00 0.00 55.97 55.78 2ra3 s LYS 41 Cb -0.68 -2.28 0.25 0.00 -0.52 0.00 0.00 37.83 34.60 2ra3 s LYS 41 CO 0.59 -1.54 1.55 0.00 -0.92 0.00 0.00 175.35 175.03 2ra3 h ARG 42 N -0.64 0.00 -4.15 1.68 3.08 -1.95 -3.35 114.38 109.04 2ra3 h ARG 42 Ca -0.38 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.94 2ra3 h ARG 42 Cb 1.27 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.19 2ra3 h ARG 42 CO 0.41 0.21 2.20 -1.71 -1.07 0.00 0.00 179.97 180.00 2ra3 n ASN 43 N -3.16 4.80 -3.19 7.04 5.15 -1.26 -4.77 115.26 119.87 2ra3 n ASN 43 Ca 0.03 -3.00 0.04 0.00 -0.60 0.00 0.00 54.58 51.05 2ra3 n ASN 43 Cb 0.61 -1.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.27 2ra3 n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ra3 s ASN 44 N 2.22 -1.08 0.04 1.20 3.84 -1.25 -4.56 114.94 115.35 2ra3 s ASN 44 Ca 0.44 0.75 0.04 0.00 0.21 0.00 0.00 52.86 54.30 2ra3 s ASN 44 Cb 0.08 1.94 -0.02 0.00 -0.55 0.00 0.00 41.25 42.69 2ra3 s ASN 44 CO -0.01 -0.20 -0.12 -0.36 -2.79 0.00 0.00 177.10 173.61 2ra3 s PHE 45 N 2.87 1.07 -1.00 0.43 0.40 0.63 -4.94 117.98 117.45 2ra3 s PHE 45 Ca 0.12 -0.36 0.27 0.00 -0.60 0.00 0.00 56.93 56.36 2ra3 s PHE 45 Cb -0.13 -0.64 0.80 0.00 0.51 0.00 0.00 43.02 43.56 2ra3 s PHE 45 CO -0.18 0.01 1.62 1.63 0.70 0.00 0.00 175.22 179.01 2ra3 n LYS 46 N 1.90 0.00 -3.73 0.44 5.02 -1.26 -0.67 118.16 119.85 2ra3 n LYS 46 Ca -0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 2ra3 n LYS 46 Cb 0.55 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.99 2ra3 n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ra3 s SER 47 N -3.00 -0.13 0.35 4.39 1.04 -1.26 -4.87 113.70 110.22 2ra3 s SER 47 Ca 0.12 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.32 2ra3 s SER 47 Cb 0.18 0.39 0.67 0.00 0.10 0.00 0.00 66.02 67.36 2ra3 s SER 47 CO 0.63 -0.69 1.99 0.00 0.98 0.00 0.00 173.24 176.15 2ra3 h ALA 48 N 2.94 1.60 -0.32 5.32 0.00 -1.97 -2.39 119.26 124.44 2ra3 h ALA 48 Ca -0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2ra3 h ALA 48 Cb 1.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2ra3 h ALA 48 CO 0.47 0.33 0.06 0.93 0.00 0.00 0.00 179.25 181.05 2ra3 h GLU 49 N 0.83 0.52 0.00 0.00 3.07 -1.96 0.33 114.58 117.37 2ra3 h GLU 49 Ca 0.27 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2ra3 h GLU 49 Cb 0.04 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2ra3 h GLU 49 CO -0.07 0.60 -0.12 0.38 -1.40 0.00 0.00 179.01 178.40 2ra3 h ASP 50 N 0.35 0.00 -0.50 1.42 3.04 -1.94 6.38 116.42 125.17 2ra3 h ASP 50 Ca 0.10 -0.02 -0.02 0.00 -3.24 0.00 0.00 57.03 53.84 2ra3 h ASP 50 Cb 0.33 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.60 2ra3 h ASP 50 CO 0.00 0.01 0.22 0.00 -2.04 0.00 0.00 179.24 177.44 2ra3 h MET 52 N 0.67 0.09 -0.08 0.00 2.86 0.53 0.24 114.93 119.23 2ra3 h MET 52 Ca 0.17 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 2ra3 h MET 52 Cb 0.16 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2ra3 h MET 52 CO -0.02 0.87 -0.52 -0.09 1.06 0.00 0.00 176.91 178.21 2ra3 h ARG 53 N 0.02 0.22 0.00 1.72 2.43 1.31 -2.08 114.38 118.01 2ra3 h ARG 53 Ca -0.19 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2ra3 h ARG 53 Cb 1.94 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 2ra3 h ARG 53 CO 0.12 0.69 0.00 2.41 -1.51 0.00 0.00 179.97 181.68 2ra3 n THR 54 N -3.94 0.00 0.76 0.20 -1.04 -0.52 -4.60 114.28 105.15 2ra3 n THR 54 Ca -0.02 0.42 0.12 0.00 -2.04 0.00 0.00 64.05 62.53 2ra3 n THR 54 Cb 0.56 -1.30 0.12 0.00 -1.82 0.00 0.00 70.33 67.88 2ra3 n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43