#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fan n PRO 2 N 0.00 0.92 0.15 2.89 -0.02 -1.26 -4.90 135.00 132.78 1fan n PRO 2 Ca 0.00 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1fan n PRO 2 Cb 0.00 -2.16 0.50 0.00 -0.02 0.00 0.00 33.50 31.82 1fan n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1fan h ASP 3 N 0.55 0.19 0.66 2.55 3.32 -2.03 -2.32 116.42 119.35 1fan h ASP 3 Ca -0.48 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1fan h ASP 3 Cb 1.36 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1fan h ASP 3 CO 0.51 0.22 0.00 2.22 -1.72 0.00 0.00 179.24 180.47 1fan n PHE 4 N -4.43 0.66 0.30 4.55 1.16 -1.26 -2.39 117.46 116.05 1fan n PHE 4 Ca -0.01 0.26 0.18 0.00 -1.87 0.00 0.00 57.45 56.02 1fan n PHE 4 Cb 0.14 -0.92 0.80 0.00 -1.61 0.00 0.00 39.48 37.88 1fan n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fan n LEU 6 N -3.05 0.99 -4.82 0.00 4.77 -1.00 -4.34 117.00 109.55 1fan n LEU 6 Ca -0.00 -0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.38 1fan n LEU 6 Cb 0.25 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1fan n LEU 6 CO 0.25 0.19 0.43 -1.61 -1.33 0.00 0.00 177.39 175.32 1fan s GLU 7 N -2.51 4.25 0.86 3.23 0.41 -0.64 -4.94 118.70 119.37 1fan s GLU 7 Ca 0.24 0.88 -0.10 0.00 -0.41 0.00 0.00 54.97 55.58 1fan s GLU 7 Cb 0.19 -2.84 0.11 0.00 -1.78 0.00 0.00 34.13 29.82 1fan s GLU 7 CO 0.52 0.37 1.12 -1.25 -0.49 0.00 0.00 175.26 175.53 1fan s PRO 8 N -2.06 1.50 0.52 0.39 0.04 -1.26 -4.87 135.00 129.25 1fan s PRO 8 Ca 0.44 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.63 1fan s PRO 8 Cb -0.16 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1fan s PRO 8 CO 0.21 -2.23 1.12 -1.25 0.04 0.00 0.00 177.00 174.88 1fan s PRO 9 N -4.76 3.50 -0.22 0.56 0.04 -1.26 -4.94 135.00 127.91 1fan s PRO 9 Ca 0.64 1.58 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1fan s PRO 9 Cb -0.20 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.32 1fan s PRO 9 CO 0.57 -0.73 -0.07 -0.47 0.04 0.00 0.00 177.00 176.35 1fan s TYR 10 N -1.78 2.29 0.04 0.56 5.04 -1.26 -4.99 117.35 117.25 1fan s TYR 10 Ca 0.71 -1.61 -0.21 0.00 -2.44 0.00 0.00 57.07 53.51 1fan s TYR 10 Cb -0.23 -1.55 -0.14 0.00 0.35 0.00 0.00 41.96 40.38 1fan s TYR 10 CO 0.26 -0.74 1.36 1.15 -1.34 0.00 0.00 175.55 176.24 1fan h THR 11 N 6.55 1.33 0.00 4.34 2.02 -1.96 -3.44 112.91 121.76 1fan h THR 11 Ca -0.21 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1fan h THR 11 Cb 1.08 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1fan h THR 11 CO 0.43 0.35 0.00 0.61 0.37 0.00 0.00 175.52 177.28 1fan n GLY 12 N 0.10 -0.68 0.04 2.16 0.00 -1.26 -0.83 105.19 104.73 1fan n GLY 12 Ca -0.06 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1fan n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fan n PRO 13 N -0.71 0.10 -1.71 1.61 -0.04 -1.26 -4.72 135.00 128.27 1fan n PRO 13 Ca 0.00 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 1fan n PRO 13 Cb 0.00 -1.61 0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1fan n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fan n LYS 15 N -3.12 3.40 -1.75 0.00 5.02 -1.15 -4.46 118.16 116.10 1fan n LYS 15 Ca 0.07 -2.72 -0.29 0.00 -2.02 0.00 0.00 58.31 53.34 1fan n LYS 15 Cb 0.55 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 33.96 1fan n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fan s ALA 16 N -1.73 2.11 -0.52 7.82 0.00 0.45 -5.03 121.76 124.85 1fan s ALA 16 Ca 0.45 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1fan s ALA 16 Cb 0.29 -2.91 0.14 0.00 0.00 0.00 0.00 23.12 20.64 1fan s ALA 16 CO 0.22 -2.26 0.29 0.50 0.00 0.00 0.00 175.76 174.52 1fan s ARG 17 N -5.60 1.84 -0.18 0.00 3.52 -1.26 -4.15 118.95 113.12 1fan s ARG 17 Ca 0.67 -2.56 -0.01 0.00 -0.13 0.00 0.00 55.73 53.70 1fan s ARG 17 Cb -0.09 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1fan s ARG 17 CO 0.52 -1.16 -0.13 0.42 -0.81 0.00 0.00 175.30 174.15 1fan s ILE 18 N -0.29 2.79 -0.17 4.11 1.01 -0.33 -4.95 121.20 123.36 1fan s ILE 18 Ca 0.19 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1fan s ILE 18 Cb -0.22 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1fan s ILE 18 CO -0.03 0.49 1.14 -0.63 0.00 0.00 0.00 174.94 175.91 1fan s ILE 19 N 1.12 4.49 0.38 2.92 -1.09 -1.26 0.86 121.20 128.61 1fan s ILE 19 Ca 0.01 1.80 0.04 0.00 -2.23 0.00 0.00 60.65 60.26 1fan s ILE 19 Cb -0.14 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1fan s ILE 19 CO -0.04 -0.13 0.07 -0.13 -1.23 0.00 0.00 174.94 173.49 1fan s ARG 20 N 3.09 1.83 0.02 2.79 1.81 -0.70 -4.94 118.95 122.84 1fan s ARG 20 Ca 0.50 -2.07 0.06 0.00 -1.72 0.00 0.00 55.73 52.50 1fan s ARG 20 Cb -0.19 -0.93 -0.03 0.00 -0.45 0.00 0.00 34.95 33.35 1fan s ARG 20 CO 0.12 -0.29 -0.17 0.71 -0.68 0.00 0.00 175.30 174.99 1fan s TYR 21 N -3.17 2.58 0.08 -0.53 1.51 0.42 -1.48 117.35 116.76 1fan s TYR 21 Ca 0.29 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 1fan s TYR 21 Cb 0.06 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1fan s TYR 21 CO 0.14 0.23 -0.12 -0.59 -1.11 0.00 0.00 175.55 174.10 1fan s PHE 22 N -0.88 1.08 -0.17 2.71 -0.71 -0.49 0.05 117.98 119.58 1fan s PHE 22 Ca 0.14 -0.55 -0.21 0.00 -1.04 0.00 0.00 56.93 55.27 1fan s PHE 22 Cb -0.10 -0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 41.08 1fan s PHE 22 CO 0.04 0.02 0.63 -0.47 -1.34 0.00 0.00 175.22 174.10 1fan s TYR 23 N -1.81 3.42 -0.52 3.49 5.04 -1.26 -0.91 117.35 124.79 1fan s TYR 23 Ca 0.00 0.97 -0.17 0.00 -2.44 0.00 0.00 57.07 55.44 1fan s TYR 23 Cb -0.07 -2.78 0.10 0.00 0.35 0.00 0.00 41.96 39.56 1fan s TYR 23 CO 0.01 -0.11 0.51 1.21 -1.34 0.00 0.00 175.55 175.83 1fan s ASN 24 N 1.09 6.18 0.49 4.32 3.84 0.32 -4.81 114.94 126.37 1fan s ASN 24 Ca 0.30 -1.47 0.19 0.00 0.21 0.00 0.00 52.86 52.09 1fan s ASN 24 Cb -0.16 -2.22 1.23 0.00 -0.55 0.00 0.00 41.25 39.55 1fan s ASN 24 CO 0.11 -0.83 2.02 0.00 -2.79 0.00 0.00 177.10 175.61 1fan h ALA 25 N 8.90 2.22 -0.03 1.71 0.00 -1.85 0.28 119.26 130.49 1fan h ALA 25 Ca -0.29 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1fan h ALA 25 Cb 1.10 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1fan h ALA 25 CO 0.98 -0.34 -0.30 0.87 0.00 0.00 0.00 179.25 180.46 1fan h LYS 26 N 0.16 0.26 0.00 0.00 1.57 -1.95 -3.32 116.57 113.29 1fan h LYS 26 Ca 0.22 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1fan h LYS 26 Cb 0.64 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1fan h LYS 26 CO -0.03 0.92 -0.57 0.00 -0.57 0.00 0.00 179.45 179.19 1fan h ALA 27 N 0.35 0.64 0.00 3.86 0.00 -1.92 -3.48 119.26 118.71 1fan h ALA 27 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1fan h ALA 27 Cb 1.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1fan h ALA 27 CO 0.06 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1fan n GLY 28 N 1.24 0.47 3.51 0.00 0.00 0.96 -5.04 105.19 106.34 1fan n GLY 28 Ca 0.02 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1fan n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1fan s LEU 29 N 0.00 0.30 -0.15 0.99 0.05 -1.17 -4.98 118.68 113.72 1fan s LEU 29 Ca 0.00 -0.66 -0.21 0.00 0.05 0.00 0.00 54.13 53.31 1fan s LEU 29 Cb 0.00 1.89 -0.03 0.00 -2.05 0.00 0.00 46.19 46.00 1fan s LEU 29 CO 0.00 -1.05 0.64 0.00 -0.55 0.00 0.00 176.35 175.39 1fan s GLN 31 N 1.48 1.54 0.53 0.00 -0.21 -0.09 -4.91 119.66 118.00 1fan s GLN 31 Ca 0.31 -1.58 -0.17 0.00 0.02 0.00 0.00 55.36 53.94 1fan s GLN 31 Cb -0.16 -1.77 -0.07 0.00 1.00 0.00 0.00 33.01 32.01 1fan s GLN 31 CO 0.12 0.37 1.01 0.95 -2.12 0.00 0.00 175.29 175.62 1fan s THR 32 N -1.95 4.30 0.15 -0.19 -4.23 -1.26 -1.39 115.64 111.08 1fan s THR 32 Ca 0.23 1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 61.75 1fan s THR 32 Cb -0.07 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1fan s THR 32 CO 0.11 -0.61 0.32 0.72 -0.54 0.00 0.00 174.62 174.62 1fan s PHE 33 N -2.54 0.22 -0.32 3.99 -0.71 -0.55 -4.89 117.98 113.18 1fan s PHE 33 Ca 0.61 -0.59 -0.14 0.00 -1.04 0.00 0.00 56.93 55.77 1fan s PHE 33 Cb -0.12 0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.71 1fan s PHE 33 CO 0.32 -0.72 0.29 0.08 -1.34 0.00 0.00 175.22 173.85 1fan s VAL 34 N -3.92 5.23 -0.07 -2.49 1.01 -1.26 -1.73 120.40 117.17 1fan s VAL 34 Ca 0.13 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1fan s VAL 34 Cb 0.03 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1fan s VAL 34 CO -0.03 0.03 0.28 -0.47 0.00 0.00 0.00 175.10 174.91 1fan s TYR 35 N 1.88 3.64 -1.02 5.22 5.04 0.25 -4.41 117.35 127.95 1fan s TYR 35 Ca 0.09 0.74 0.27 0.00 -2.44 0.00 0.00 57.07 55.74 1fan s TYR 35 Cb -0.17 -2.15 1.17 0.00 0.35 0.00 0.00 41.96 41.17 1fan s TYR 35 CO 0.11 0.63 1.87 0.41 -1.34 0.00 0.00 175.55 177.23 1fan n GLY 36 N 2.09 -1.42 0.00 8.97 0.00 -0.01 -1.19 105.19 113.64 1fan n GLY 36 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1fan n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fan n GLY 37 N 1.28 0.92 3.30 -0.02 0.00 -1.26 -0.41 105.19 109.01 1fan n GLY 37 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1fan n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fan n ARG 39 N 0.15 -6.73 -1.68 0.00 1.74 -1.26 -4.48 116.66 104.41 1fan n ARG 39 Ca -0.17 0.76 -0.38 0.00 -0.77 0.00 0.00 57.85 57.29 1fan n ARG 39 Cb 0.62 -5.70 0.05 0.00 -1.02 0.00 0.00 32.46 26.41 1fan n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fan n ALA 40 N -4.63 0.85 -2.18 7.54 0.00 -1.26 -4.87 120.51 115.96 1fan n ALA 40 Ca -0.10 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1fan n ALA 40 Cb 0.60 -2.24 0.03 0.00 0.00 0.00 0.00 19.45 17.84 1fan n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fan s LYS 41 N -2.92 2.32 0.32 0.00 -0.14 -1.26 -5.03 119.74 113.02 1fan s LYS 41 Ca 0.76 -1.76 0.08 0.00 -1.36 0.00 0.00 55.97 53.70 1fan s LYS 41 Cb -0.41 -2.44 0.54 0.00 -1.68 0.00 0.00 37.83 33.84 1fan s LYS 41 CO 0.46 -0.71 1.75 0.00 -0.76 0.00 0.00 175.35 176.09 1fan h ARG 42 N 0.45 0.17 -3.56 1.68 3.08 -1.96 -3.32 114.38 110.92 1fan h ARG 42 Ca -0.33 -0.07 -0.73 0.00 0.07 0.00 0.00 59.98 58.91 1fan h ARG 42 Cb 1.29 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 1fan h ARG 42 CO 0.48 0.54 2.67 -1.71 -1.07 0.00 0.00 179.97 180.87 1fan n ASN 43 N -4.05 5.24 -3.27 7.04 5.15 -1.26 -4.73 115.26 119.37 1fan n ASN 43 Ca -0.01 -2.96 -0.04 0.00 -0.60 0.00 0.00 54.58 50.96 1fan n ASN 43 Cb 0.45 -1.54 -0.05 0.00 -0.53 0.00 0.00 39.78 38.10 1fan n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1fan s ASN 44 N 1.83 -0.38 0.20 1.20 3.84 -1.25 -4.55 114.94 115.83 1fan s ASN 44 Ca 0.47 0.44 0.08 0.00 0.21 0.00 0.00 52.86 54.06 1fan s ASN 44 Cb 0.13 1.51 -0.05 0.00 -0.55 0.00 0.00 41.25 42.30 1fan s ASN 44 CO -0.05 -0.29 -0.16 0.00 -2.79 0.00 0.00 177.10 173.82 1fan s ALA 45 N 2.66 2.05 -0.38 1.71 0.00 0.11 -4.93 121.76 122.99 1fan s ALA 45 Ca 0.16 -1.62 0.23 0.00 0.00 0.00 0.00 51.96 50.73 1fan s ALA 45 Cb -0.15 -0.13 0.23 0.00 0.00 0.00 0.00 23.12 23.07 1fan s ALA 45 CO -0.18 0.13 1.40 0.87 0.00 0.00 0.00 175.76 177.98 1fan h LYS 46 N 2.75 0.00 -4.58 0.00 1.79 -1.93 0.12 116.57 114.71 1fan h LYS 46 Ca -0.39 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.85 1fan h LYS 46 Cb 1.22 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.72 1fan h LYS 46 CO 0.59 0.00 -0.65 -1.54 -1.08 0.00 0.00 179.45 176.76 1fan s SER 47 N -5.81 0.69 0.29 0.86 1.04 -1.26 -4.80 113.70 104.72 1fan s SER 47 Ca 0.04 -1.20 0.04 0.00 0.48 0.00 0.00 55.95 55.31 1fan s SER 47 Cb 0.07 0.22 0.46 0.00 0.10 0.00 0.00 66.02 66.87 1fan s SER 47 CO 0.71 -0.67 1.74 0.00 0.98 0.00 0.00 173.24 176.00 1fan h ALA 48 N 2.79 1.14 -0.19 5.32 0.00 -1.96 -2.74 119.26 123.61 1fan h ALA 48 Ca -0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1fan h ALA 48 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1fan h ALA 48 CO 0.61 0.54 0.02 1.49 0.00 0.00 0.00 179.25 181.91 1fan h GLU 49 N 0.36 0.33 -0.43 0.00 4.81 -1.98 0.40 114.58 118.07 1fan h GLU 49 Ca 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1fan h GLU 49 Cb 0.67 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1fan h GLU 49 CO 0.05 0.50 0.28 -0.44 -0.73 0.00 0.00 179.01 178.67 1fan h ASP 50 N 0.11 0.50 -0.22 1.04 3.32 -1.96 -0.55 116.42 118.66 1fan h ASP 50 Ca 0.06 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1fan h ASP 50 Cb 0.34 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1fan h ASP 50 CO 0.01 0.38 0.13 0.00 -1.72 0.00 0.00 179.24 178.03 1fan h MET 52 N 0.27 0.93 -0.86 0.00 2.86 0.09 -0.52 114.93 117.70 1fan h MET 52 Ca 0.09 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1fan h MET 52 Cb -0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1fan h MET 52 CO -0.04 0.88 0.53 -0.09 1.06 0.00 0.00 176.91 179.25 1fan h ARG 53 N 0.83 1.16 0.04 1.72 2.43 -1.02 1.82 114.38 121.37 1fan h ARG 53 Ca 0.17 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1fan h ARG 53 Cb 0.39 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1fan h ARG 53 CO 0.01 0.81 -0.02 1.15 -1.51 0.00 0.00 179.97 180.40 1fan h THR 54 N 1.18 1.31 0.00 0.20 2.02 -1.21 -3.40 112.91 113.01 1fan h THR 54 Ca 0.31 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1fan h THR 54 Cb -0.07 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1fan h THR 54 CO -0.06 0.31 -1.04 0.00 0.37 0.00 0.00 175.52 175.10 1fan n GLY 56 N 1.76 0.29 3.66 0.00 0.00 0.17 -4.96 105.19 106.11 1fan n GLY 56 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1fan n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fan n GLY 57 N 1.98 1.08 0.00 -0.02 0.00 0.57 -5.00 105.19 103.79 1fan n GLY 57 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1fan n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32