#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8z h ALA 12 N 0.00 1.48 -1.47 4.37 0.00 -1.98 -3.38 119.26 118.29 3i8z h ALA 12 Ca 0.00 -0.25 -0.54 0.00 0.00 0.00 0.00 54.91 54.12 3i8z h ALA 12 Cb 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3i8z h ALA 12 CO 0.00 0.34 1.07 0.08 0.00 0.00 0.00 179.25 180.74 3i8z s VAL 13 N -4.34 3.78 -0.02 0.00 1.01 -1.26 -0.74 120.40 118.82 3i8z s VAL 13 Ca -0.03 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 3i8z s VAL 13 Cb 0.15 -4.72 -0.24 0.00 0.00 0.00 0.00 36.38 31.57 3i8z s VAL 13 CO 0.70 -1.54 1.04 -0.08 0.00 0.00 0.00 175.10 175.22 3i8z h GLU 14 N 10.44 0.31 -2.89 2.72 4.81 -1.18 -3.46 114.58 125.32 3i8z h GLU 14 Ca -0.27 -0.35 -0.15 0.00 -0.13 0.00 0.00 59.36 58.47 3i8z h GLU 14 Cb 1.07 0.10 -0.26 0.00 0.63 0.00 0.00 28.75 30.29 3i8z h GLU 14 CO 1.23 1.05 -0.36 0.45 -0.73 0.00 0.00 179.01 180.66 3i8z s SER 15 N -6.60 -0.37 -0.28 1.04 0.15 -1.00 -5.01 113.70 101.64 3i8z s SER 15 Ca -0.14 0.68 -0.18 0.00 0.70 0.00 0.00 55.95 57.01 3i8z s SER 15 Cb 0.02 0.63 -0.02 0.00 -1.71 0.00 0.00 66.02 64.94 3i8z s SER 15 CO 0.79 -0.14 0.51 -0.63 1.20 0.00 0.00 173.24 174.96 3i8z s ILE 16 N 0.71 5.06 -0.18 6.45 -1.09 -1.26 -0.90 121.20 129.99 3i8z s ILE 16 Ca -0.04 0.78 0.05 0.00 -2.23 0.00 0.00 60.65 59.21 3i8z s ILE 16 Cb -0.06 -3.84 -0.22 0.00 -1.58 0.00 0.00 42.46 36.76 3i8z s ILE 16 CO -0.05 0.04 0.11 -0.62 -1.23 0.00 0.00 174.94 173.19 3i8z n GLU 17 N 5.57 0.68 -3.68 2.79 -0.58 0.73 -5.01 120.64 121.14 3i8z n GLU 17 Ca -0.04 0.16 -0.09 0.00 -0.42 0.00 0.00 57.16 56.77 3i8z n GLU 17 Cb 0.50 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 3i8z n GLU 17 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3i8z s LYS 18 N -2.53 1.51 0.12 3.49 1.02 -1.25 -4.99 119.74 117.11 3i8z s LYS 18 Ca -0.22 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.03 3i8z s LYS 18 Cb 0.08 0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 37.92 3i8z s LYS 18 CO 0.72 -0.67 -0.10 -1.59 -0.92 0.00 0.00 175.35 172.79 3i8z s LYS 19 N -3.85 0.97 0.22 1.68 -2.85 -1.26 -0.80 119.74 113.84 3i8z s LYS 19 Ca 0.07 -1.32 -0.11 0.00 -1.00 0.00 0.00 55.97 53.61 3i8z s LYS 19 Cb -0.03 -0.60 -0.01 0.00 -2.06 0.00 0.00 37.83 35.14 3i8z s LYS 19 CO -0.02 0.08 0.40 -0.98 0.10 0.00 0.00 175.35 174.93 3i8z s ARG 20 N -3.31 1.40 -0.09 1.78 1.70 -0.33 -4.97 118.95 115.13 3i8z s ARG 20 Ca 0.12 -1.23 0.01 0.00 -0.47 0.00 0.00 55.73 54.16 3i8z s ARG 20 Cb 0.00 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 3i8z s ARG 20 CO 0.00 -0.56 -0.11 0.42 -1.08 0.00 0.00 175.30 173.97 3i8z s ILE 21 N -4.00 3.29 -0.07 4.99 -1.09 -1.26 -0.75 121.20 122.31 3i8z s ILE 21 Ca 0.21 -0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 3i8z s ILE 21 Cb 0.01 -2.35 0.03 0.00 -1.58 0.00 0.00 42.46 38.57 3i8z s ILE 21 CO 0.06 0.56 -0.00 -0.13 -1.23 0.00 0.00 174.94 174.20 3i8z s ARG 22 N -0.28 0.61 -1.51 2.79 0.52 0.06 -4.84 118.95 116.30 3i8z s ARG 22 Ca 0.03 0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 55.20 3i8z s ARG 22 Cb -0.13 -0.95 0.08 0.00 0.52 0.00 0.00 34.95 34.47 3i8z s ARG 22 CO 0.03 -0.29 0.92 1.17 0.02 0.00 0.00 175.30 177.15 3i8z n LYS 23 N 5.06 -5.35 -0.92 3.54 4.81 -1.26 -1.44 118.16 122.61 3i8z n LYS 23 Ca -0.09 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 3i8z n LYS 23 Cb 0.50 -5.49 0.00 0.00 0.02 0.00 0.00 35.03 30.06 3i8z n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8z n GLY 24 N -1.64 0.77 3.37 3.14 0.00 -1.26 -5.02 105.19 104.55 3i8z n GLY 24 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3i8z n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8z s ARG 25 N -0.08 1.62 0.04 1.61 0.52 -0.52 -5.10 118.95 117.04 3i8z s ARG 25 Ca 0.00 -1.22 -0.25 0.00 -0.52 0.00 0.00 55.73 53.74 3i8z s ARG 25 Cb 0.00 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.47 3i8z s ARG 25 CO 0.00 0.48 0.76 0.08 0.02 0.00 0.00 175.30 176.65 3i8z s VAL 26 N -0.93 4.74 0.07 3.52 1.01 -1.26 -0.76 120.40 126.79 3i8z s VAL 26 Ca 0.13 1.62 0.09 0.00 0.00 0.00 0.00 61.98 63.82 3i8z s VAL 26 Cb -0.10 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3i8z s VAL 26 CO 0.04 0.36 -0.24 -1.61 0.00 0.00 0.00 175.10 173.65 3i8z s GLU 27 N -0.03 1.46 -0.07 2.72 2.02 0.07 -1.61 118.70 123.27 3i8z s GLU 27 Ca 0.38 -1.12 0.04 0.00 0.02 0.00 0.00 54.97 54.29 3i8z s GLU 27 Cb -0.20 -1.71 -0.02 0.00 0.10 0.00 0.00 34.13 32.30 3i8z s GLU 27 CO 0.23 0.42 -0.17 0.71 0.02 0.00 0.00 175.26 176.47 3i8z s TYR 28 N -0.93 2.64 -0.28 1.61 2.02 0.27 -1.18 117.35 121.51 3i8z s TYR 28 Ca 0.10 -0.43 -0.25 0.00 -0.37 0.00 0.00 57.07 56.11 3i8z s TYR 28 Cb -0.10 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 3i8z s TYR 28 CO 0.03 -0.02 0.87 -1.17 -1.57 0.00 0.00 175.55 173.69 3i8z s LEU 29 N -0.31 4.06 -0.18 -1.29 2.96 0.02 -0.29 118.68 123.65 3i8z s LEU 29 Ca 0.02 0.92 -0.04 0.00 -0.22 0.00 0.00 54.13 54.80 3i8z s LEU 29 Cb -0.13 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 3i8z s LEU 29 CO 0.03 -0.63 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.72 3i8z s VAL 30 N 3.05 3.95 -0.19 1.68 1.01 0.17 -0.19 120.40 129.87 3i8z s VAL 30 Ca 0.36 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 3i8z s VAL 30 Cb -0.14 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3i8z s VAL 30 CO 0.10 0.46 0.58 -0.75 0.00 0.00 0.00 175.10 175.50 3i8z s LYS 31 N 0.68 4.22 0.01 2.72 2.47 -0.08 -1.94 119.74 127.82 3i8z s LYS 31 Ca -0.01 0.54 -0.17 0.00 -1.56 0.00 0.00 55.97 54.77 3i8z s LYS 31 Cb -0.14 -3.56 -0.06 0.00 -1.46 0.00 0.00 37.83 32.61 3i8z s LYS 31 CO 0.02 -0.17 0.48 -1.58 0.16 0.00 0.00 175.35 174.27 3i8z s TRP 32 N 1.67 3.72 0.18 4.03 0.52 -1.26 -0.86 118.94 126.95 3i8z s TRP 32 Ca 0.27 1.09 -0.32 0.00 0.02 0.00 0.00 56.10 57.16 3i8z s TRP 32 Cb -0.16 -2.42 -0.11 0.00 -1.15 0.00 0.00 33.47 29.63 3i8z s TRP 32 CO 0.10 0.54 1.74 0.50 0.02 0.00 0.00 176.95 179.86 3i8z s ARG 33 N -0.80 4.13 0.00 4.98 3.52 0.09 -2.07 118.95 128.80 3i8z s ARG 33 Ca 0.26 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.46 3i8z s ARG 33 Cb -0.18 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3i8z s ARG 33 CO 0.15 -0.77 0.00 0.41 -0.81 0.00 0.00 175.30 174.28 3i8z n GLY 34 N 4.04 1.44 3.33 8.12 0.00 -1.26 -5.01 105.19 115.85 3i8z n GLY 34 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3i8z n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i8z s TRP 35 N -3.17 2.47 0.88 1.61 0.52 -0.88 -5.12 118.94 115.24 3i8z s TRP 35 Ca 0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 56.10 55.51 3i8z s TRP 35 Cb 0.00 -1.58 0.12 0.00 -1.15 0.00 0.00 33.47 30.86 3i8z s TRP 35 CO 0.00 -0.07 1.12 -1.54 0.02 0.00 0.00 176.95 176.48 3i8z s SER 36 N -0.41 3.39 0.40 2.95 1.04 -1.26 -4.50 113.70 115.30 3i8z s SER 36 Ca 0.04 1.98 0.25 0.00 0.48 0.00 0.00 55.95 58.70 3i8z s SER 36 Cb -0.12 -2.51 1.37 0.00 0.10 0.00 0.00 66.02 64.87 3i8z s SER 36 CO 0.01 -2.77 1.76 -0.65 0.98 0.00 0.00 173.24 172.57 3i8z h PRO 37 N -1.64 0.00 0.00 4.02 0.11 -1.99 -1.26 132.00 131.23 3i8z h PRO 37 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i8z h PRO 37 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i8z h PRO 37 CO 0.46 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 179.82 3i8z h LYS 38 N 0.00 0.00 -0.40 1.05 2.10 -2.01 -1.42 116.57 115.89 3i8z h LYS 38 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i8z h LYS 38 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3i8z h LYS 38 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3i8z n TYR 39 N -2.46 0.53 -1.74 0.07 4.01 -0.48 -4.98 117.16 112.11 3i8z n TYR 39 Ca 0.01 -0.26 -0.40 0.00 -0.16 0.00 0.00 57.90 57.09 3i8z n TYR 39 Cb 0.19 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 3i8z n TYR 39 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i8z n ASN 40 N 1.12 2.92 -4.15 7.72 3.02 -0.54 -4.84 115.26 120.51 3i8z n ASN 40 Ca 0.19 1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 55.58 3i8z n ASN 40 Cb 0.50 -1.57 -0.14 0.00 -0.61 0.00 0.00 39.78 37.96 3i8z n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i8z s THR 41 N -1.23 1.23 -0.42 3.41 -4.23 -0.82 -4.92 115.64 108.65 3i8z s THR 41 Ca 0.65 -0.90 -0.26 0.00 -1.18 0.00 0.00 61.69 60.00 3i8z s THR 41 Cb -0.45 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.35 3i8z s THR 41 CO 0.54 0.16 0.96 0.26 -0.54 0.00 0.00 174.62 176.00 3i8z s TRP 42 N -0.66 2.98 -0.19 3.99 0.52 -1.26 -0.66 118.94 123.67 3i8z s TRP 42 Ca 0.04 0.62 -0.05 0.00 0.02 0.00 0.00 56.10 56.73 3i8z s TRP 42 Cb -0.07 -3.88 -0.03 0.00 -1.15 0.00 0.00 33.47 28.34 3i8z s TRP 42 CO 0.01 -0.99 -0.00 -1.21 0.02 0.00 0.00 176.95 174.77 3i8z s GLU 43 N 3.72 3.66 0.40 4.98 0.41 0.60 -4.90 118.70 127.58 3i8z s GLU 43 Ca 0.39 -0.50 -0.25 0.00 -0.41 0.00 0.00 54.97 54.20 3i8z s GLU 43 Cb -0.11 -3.06 -0.11 0.00 -1.78 0.00 0.00 34.13 29.08 3i8z s GLU 43 CO 0.23 0.08 1.09 -2.30 -0.49 0.00 0.00 175.26 173.87 3i8z n PRO 44 N 4.04 1.54 -0.22 0.39 -0.02 -1.26 -0.56 135.00 138.91 3i8z n PRO 44 Ca -0.17 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3i8z n PRO 44 Cb 0.52 -2.12 0.46 0.00 -0.02 0.00 0.00 33.50 32.34 3i8z n PRO 44 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3i8z h GLU 45 N 1.78 0.50 0.00 -0.52 4.11 -1.66 0.81 114.58 119.59 3i8z h GLU 45 Ca -0.45 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3i8z h GLU 45 Cb 1.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3i8z h GLU 45 CO 0.58 0.33 0.00 1.05 0.07 0.00 0.00 179.01 181.04 3i8z h GLU 46 N 0.51 0.00 0.00 1.06 4.11 -1.88 -0.58 114.58 117.80 3i8z h GLU 46 Ca 0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.82 3i8z h GLU 46 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3i8z h GLU 46 CO -0.16 0.00 -0.14 -0.91 0.07 0.00 0.00 179.01 177.87 3i8z h ASN 47 N 0.00 0.00 0.00 3.06 4.21 -1.17 -3.38 115.58 118.30 3i8z h ASN 47 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3i8z h ASN 47 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 3i8z h ASN 47 CO 0.00 0.10 -0.74 2.30 -1.29 0.00 0.00 177.43 177.80 3i8z n ILE 48 N -3.11 0.00 -3.10 2.81 -5.35 -0.75 -5.05 119.36 104.81 3i8z n ILE 48 Ca 0.03 -0.04 -0.32 0.00 -0.27 0.00 0.00 62.75 62.15 3i8z n ILE 48 Cb 0.57 0.47 -0.06 0.00 -1.74 0.00 0.00 39.64 38.88 3i8z n ILE 48 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i8z s LEU 49 N -2.38 4.03 0.01 7.28 1.43 -0.30 -5.00 118.68 123.75 3i8z s LEU 49 Ca 0.00 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.08 3i8z s LEU 49 Cb 0.00 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.06 3i8z s LEU 49 CO 0.00 -0.23 1.74 -0.62 0.23 0.00 0.00 176.35 177.46 3i8z s ASP 50 N -2.37 6.59 0.63 2.29 -1.08 -1.26 -4.88 116.67 116.59 3i8z s ASP 50 Ca 0.54 2.42 0.33 0.00 -0.52 0.00 0.00 52.55 55.32 3i8z s ASP 50 Cb -0.10 -2.54 1.85 0.00 -1.46 0.00 0.00 42.92 40.67 3i8z s ASP 50 CO 0.19 -0.95 2.13 -0.65 0.52 0.00 0.00 175.17 176.41 3i8z h PRO 51 N 9.46 0.00 0.00 4.34 0.11 -1.94 0.15 132.00 144.11 3i8z h PRO 51 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i8z h PRO 51 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i8z h PRO 51 CO 0.94 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.78 3i8z h ARG 52 N 0.00 0.00 -0.26 1.05 3.08 -2.04 -1.76 114.38 114.44 3i8z h ARG 52 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3i8z h ARG 52 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3i8z h ARG 52 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3i8z n LEU 53 N -2.84 2.25 -4.77 3.04 4.77 0.04 -4.89 117.00 114.61 3i8z n LEU 53 Ca -0.02 -0.98 -0.41 0.00 -0.03 0.00 0.00 56.01 54.57 3i8z n LEU 53 Cb 0.10 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3i8z n LEU 53 CO 0.16 0.49 1.09 -0.76 -1.33 0.00 0.00 177.39 177.04 3i8z s LEU 54 N -1.47 4.37 -0.01 2.23 1.43 -0.66 -4.98 118.68 119.59 3i8z s LEU 54 Ca 0.33 2.87 -0.30 0.00 -1.03 0.00 0.00 54.13 56.00 3i8z s LEU 54 Cb 0.19 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 3i8z s LEU 54 CO 0.27 -0.74 0.99 -0.63 0.23 0.00 0.00 176.35 176.47 3i8z s ILE 55 N -0.86 4.83 0.71 -0.59 1.01 -1.26 -5.04 121.20 120.00 3i8z s ILE 55 Ca 0.53 2.03 -0.11 0.00 0.00 0.00 0.00 60.65 63.10 3i8z s ILE 55 Cb -0.44 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 37.75 3i8z s ILE 55 CO 0.56 0.15 1.10 0.00 0.00 0.00 0.00 174.94 176.74 3i8z s ALA 56 N 1.09 2.89 -1.01 9.38 0.00 -1.26 -4.37 121.76 128.48 3i8z s ALA 56 Ca 0.52 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3i8z s ALA 56 Cb -0.21 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3i8z s ALA 56 CO 0.27 -1.17 0.00 1.19 0.00 0.00 0.00 175.76 176.06 3i8z n PHE 57 N -3.02 -0.54 -1.68 0.00 3.72 -1.26 -4.98 117.46 109.70 3i8z n PHE 57 Ca 0.07 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.99 3i8z n PHE 57 Cb 0.57 -2.66 -0.05 0.00 -0.94 0.00 0.00 39.48 36.41 3i8z n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i8z n GLN 58 N -2.14 2.22 -2.22 -1.08 1.13 -1.26 -4.97 117.38 109.06 3i8z n GLN 58 Ca -0.14 0.81 -0.35 0.00 -1.94 0.00 0.00 57.00 55.38 3i8z n GLN 58 Cb 0.60 -2.66 0.01 0.00 0.11 0.00 0.00 30.24 28.30 3i8z n GLN 58 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3i8z s ASN 59 N 3.69 5.67 0.00 1.08 0.01 -1.26 -5.26 114.94 118.87 3i8z s ASN 59 Ca 0.91 2.22 0.04 0.00 -0.71 0.00 0.00 52.86 55.32 3i8z s ASN 59 Cb -0.67 -2.59 0.22 0.00 0.41 0.00 0.00 41.25 38.62 3i8z s ASN 59 CO 0.49 -1.25 0.70 0.54 -1.51 0.00 0.00 177.10 176.07