#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs8 s SER 2 N 0.00 6.61 -0.79 7.83 0.01 -1.26 -4.96 113.70 121.15 1xs8 s SER 2 Ca 0.00 -2.00 -0.16 0.00 1.31 0.00 0.00 55.95 55.10 1xs8 s SER 2 Cb 0.00 -2.41 0.17 0.00 0.21 0.00 0.00 66.02 64.00 1xs8 s SER 2 CO 0.00 -1.09 0.82 -0.60 0.41 0.00 0.00 173.24 172.78 1xs8 s ARG 3 N 2.80 3.46 -0.34 12.44 3.52 -1.26 -5.02 118.95 134.55 1xs8 s ARG 3 Ca 0.33 -2.05 -0.24 0.00 -0.13 0.00 0.00 55.73 53.64 1xs8 s ARG 3 Cb -0.05 -4.51 0.01 0.00 -1.56 0.00 0.00 34.95 28.84 1xs8 s ARG 3 CO -0.09 -1.45 0.83 0.99 -0.81 0.00 0.00 175.30 174.77 1xs8 s THR 4 N 1.28 4.72 0.39 4.11 2.01 -1.26 -0.31 115.64 126.59 1xs8 s THR 4 Ca 0.19 1.10 0.07 0.00 0.31 0.00 0.00 61.69 63.36 1xs8 s THR 4 Cb -0.13 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.08 1xs8 s THR 4 CO -0.06 -0.39 -0.01 0.27 -0.69 0.00 0.00 174.62 173.75 1xs8 s ILE 5 N 3.15 2.00 -0.43 1.82 -5.25 0.70 -4.91 121.20 118.27 1xs8 s ILE 5 Ca 0.34 -2.03 -0.17 0.00 -0.99 0.00 0.00 60.65 57.79 1xs8 s ILE 5 Cb -0.13 -2.93 0.03 0.00 2.95 0.00 0.00 42.46 42.38 1xs8 s ILE 5 CO 0.16 -0.04 0.46 0.12 -1.79 0.00 0.00 174.94 173.84 1xs8 s PHE 6 N -2.72 3.16 0.11 1.37 5.36 -1.26 -1.14 117.98 122.85 1xs8 s PHE 6 Ca 0.35 -0.41 -0.21 0.00 -0.96 0.00 0.00 56.93 55.69 1xs8 s PHE 6 Cb 0.09 -2.97 -0.07 0.00 -0.34 0.00 0.00 43.02 39.73 1xs8 s PHE 6 CO 0.18 -0.74 0.65 0.00 -1.46 0.00 0.00 175.22 173.85 1xs8 h THR 8 N 3.43 0.89 -0.24 0.00 2.02 -1.18 0.36 112.91 118.18 1xs8 h THR 8 Ca -0.49 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 1xs8 h THR 8 Cb 1.21 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1xs8 h THR 8 CO 0.64 0.11 -0.29 0.22 0.37 0.00 0.00 175.52 176.57 1xs8 h TYR 9 N -0.50 0.55 0.00 3.16 3.20 -1.76 -3.13 116.97 118.49 1xs8 h TYR 9 Ca -0.03 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.58 1xs8 h TYR 9 Cb 0.38 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1xs8 h TYR 9 CO 0.00 0.73 -1.89 1.28 -1.64 0.00 0.00 178.16 176.64 1xs8 n LEU 10 N -4.09 0.25 -2.37 2.82 4.77 -1.24 -4.98 117.00 112.15 1xs8 n LEU 10 Ca -0.01 0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1xs8 n LEU 10 Cb 0.43 0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1xs8 n LEU 10 CO 0.43 0.15 -0.15 0.00 -1.33 0.00 0.00 177.39 176.49 1xs8 n GLN 11 N -2.56 -2.67 -3.87 3.23 1.13 0.12 -4.97 117.38 107.79 1xs8 n GLN 11 Ca -0.13 0.88 -0.14 0.00 -1.94 0.00 0.00 57.00 55.67 1xs8 n GLN 11 Cb 0.78 -5.47 -0.03 0.00 0.11 0.00 0.00 30.24 25.63 1xs8 n GLN 11 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1xs8 n ARG 12 N -3.16 0.64 -2.08 -1.09 1.85 -1.25 -4.94 116.66 106.63 1xs8 n ARG 12 Ca -0.18 -2.69 -0.42 0.00 -1.00 0.00 0.00 57.85 53.56 1xs8 n ARG 12 Cb 0.65 2.55 -0.03 0.00 -1.05 0.00 0.00 32.46 34.58 1xs8 n ARG 12 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xs8 s ASP 13 N -3.06 6.73 0.32 2.89 1.01 -1.26 -2.73 116.67 120.56 1xs8 s ASP 13 Ca 0.28 2.30 0.07 0.00 0.71 0.00 0.00 52.55 55.91 1xs8 s ASP 13 Cb -0.01 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1xs8 s ASP 13 CO 0.20 -0.80 0.27 0.00 0.21 0.00 0.00 175.17 175.05 1xs8 s ALA 14 N 2.46 1.79 -0.15 5.23 0.00 -0.29 -4.96 121.76 125.84 1xs8 s ALA 14 Ca 0.69 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 1xs8 s ALA 14 Cb -0.36 1.47 -0.05 0.00 0.00 0.00 0.00 23.12 24.18 1xs8 s ALA 14 CO 0.29 -0.66 0.22 -1.83 0.00 0.00 0.00 175.76 173.79 1xs8 s GLU 15 N -3.49 4.06 -0.02 0.00 -1.05 -1.26 -0.22 118.70 116.73 1xs8 s GLU 15 Ca 0.41 -0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.91 1xs8 s GLU 15 Cb 0.03 -3.37 -0.06 0.00 -0.44 0.00 0.00 34.13 30.29 1xs8 s GLU 15 CO 0.26 0.39 1.56 0.20 0.95 0.00 0.00 175.26 178.62 1xs8 s GLY 16 N 0.04 1.64 -0.45 -3.83 0.00 0.58 -4.27 107.32 101.04 1xs8 s GLY 16 Ca 0.14 0.96 -0.26 0.00 0.00 0.00 0.00 44.72 45.56 1xs8 s GLY 16 CO 0.03 2.82 2.37 1.20 0.00 0.00 0.00 173.10 179.52 1xs8 s GLN 17 N 3.20 2.28 -1.20 2.90 -1.52 -0.86 -4.88 119.66 119.58 1xs8 s GLN 17 Ca 0.70 1.49 -0.10 0.00 -1.95 0.00 0.00 55.36 55.50 1xs8 s GLN 17 Cb -0.34 -4.55 0.21 0.00 -0.22 0.00 0.00 33.01 28.12 1xs8 s GLN 17 CO 0.28 -3.08 1.52 -3.47 -0.25 0.00 0.00 175.29 170.30 1xs8 n ASP 18 N 15.16 5.41 -3.67 5.90 2.03 -1.26 -4.80 116.55 135.31 1xs8 n ASP 18 Ca 0.35 -3.09 -0.09 0.00 0.52 0.00 0.00 54.79 52.48 1xs8 n ASP 18 Cb 0.53 -1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.37 1xs8 n ASP 18 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xs8 s PHE 19 N 0.10 -0.76 -0.11 -0.67 0.08 -1.26 -5.13 117.98 110.23 1xs8 s PHE 19 Ca 0.38 1.49 -0.01 0.00 0.12 0.00 0.00 56.93 58.91 1xs8 s PHE 19 Cb 0.01 0.32 0.04 0.00 -0.57 0.00 0.00 43.02 42.81 1xs8 s PHE 19 CO 0.00 -0.45 -0.01 -0.65 -0.10 0.00 0.00 175.22 174.02 1xs8 s GLN 20 N 2.21 0.80 0.00 0.44 -1.52 -1.26 -4.93 119.66 115.40 1xs8 s GLN 20 Ca -0.05 -0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.27 1xs8 s GLN 20 Cb -0.11 -1.37 0.00 0.00 -0.22 0.00 0.00 33.01 31.31 1xs8 s GLN 20 CO -0.13 -0.38 0.00 1.28 -0.25 0.00 0.00 175.29 175.81 1xs8 n LEU 21 N 5.08 0.00 -0.06 2.90 4.32 -1.26 -4.98 117.00 123.00 1xs8 n LEU 21 Ca -0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.85 1xs8 n LEU 21 Cb 0.49 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.20 1xs8 n LEU 21 CO 0.12 0.00 -0.89 0.00 -1.22 0.00 0.00 177.39 175.40 1xs8 n TYR 22 N -0.65 0.00 -1.59 -1.77 4.11 -1.26 -5.02 117.16 110.98 1xs8 n TYR 22 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.61 1xs8 n TYR 22 Cb 0.00 -0.59 0.12 0.00 -0.00 0.00 0.00 39.34 38.87 1xs8 n TYR 22 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1xs8 s PRO 23 N -2.29 1.43 0.00 -3.48 0.04 -1.26 -5.07 135.00 124.36 1xs8 s PRO 23 Ca -0.06 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1xs8 s PRO 23 Cb 0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1xs8 s PRO 23 CO 0.49 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1xs8 n GLY 24 N -2.35 2.18 0.30 0.56 0.00 -1.26 -4.81 105.19 99.80 1xs8 n GLY 24 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1xs8 n GLY 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xs8 h GLU 25 N 0.00 0.64 -0.58 1.61 4.11 -1.98 0.30 114.58 118.68 1xs8 h GLU 25 Ca 0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.36 59.25 1xs8 h GLU 25 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1xs8 h GLU 25 CO 0.00 0.54 -0.01 1.25 0.07 0.00 0.00 179.01 180.86 1xs8 h LEU 26 N 0.63 1.01 -0.14 3.06 5.85 -2.00 -0.63 115.31 123.10 1xs8 h LEU 26 Ca 0.15 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1xs8 h LEU 26 Cb 0.14 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1xs8 h LEU 26 CO -0.01 1.08 0.02 1.23 -0.34 0.00 0.00 178.44 180.41 1xs8 h GLY 27 N 0.92 0.25 0.25 3.75 0.00 -1.52 -2.70 103.07 104.02 1xs8 h GLY 27 Ca 0.16 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1xs8 h GLY 27 CO 0.03 0.16 -0.10 0.50 0.00 0.00 0.00 176.54 177.13 1xs8 h LYS 28 N 0.01 -0.01 -0.33 4.80 1.57 -0.29 0.13 116.57 122.45 1xs8 h LYS 28 Ca 0.04 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1xs8 h LYS 28 Cb 0.30 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 1xs8 h LYS 28 CO 0.00 -0.00 -0.23 -0.09 -0.57 0.00 0.00 179.45 178.56 1xs8 h ARG 29 N -0.01 -0.19 -0.01 3.15 2.43 -1.04 -0.95 114.38 117.77 1xs8 h ARG 29 Ca 0.18 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1xs8 h ARG 29 Cb 0.28 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1xs8 h ARG 29 CO -0.38 -0.12 0.01 0.82 -1.51 0.00 0.00 179.97 178.78 1xs8 h ILE 30 N -0.19 1.04 0.00 1.20 2.04 -1.05 -2.77 117.51 117.77 1xs8 h ILE 30 Ca 0.17 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1xs8 h ILE 30 Cb 0.45 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1xs8 h ILE 30 CO -0.44 0.03 0.00 -1.22 0.00 0.00 0.00 178.15 176.52 1xs8 n TYR 31 N -5.06 0.18 0.01 1.37 4.01 0.38 0.19 117.16 118.24 1xs8 n TYR 31 Ca -0.07 0.08 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1xs8 n TYR 31 Cb 0.05 -0.63 -0.14 0.00 -0.31 0.00 0.00 39.34 38.32 1xs8 n TYR 31 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1xs8 h ASN 32 N 0.00 0.11 -0.01 7.72 2.35 -0.90 -2.29 115.58 122.57 1xs8 h ASN 32 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1xs8 h ASN 32 Cb 0.20 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1xs8 h ASN 32 CO 0.00 1.17 -0.14 -1.84 -1.65 0.00 0.00 177.43 174.97 1xs8 n GLU 33 N -3.22 1.93 -4.60 0.81 0.28 -0.80 -4.63 120.64 110.41 1xs8 n GLU 33 Ca -0.15 -0.60 -0.33 0.00 -0.16 0.00 0.00 57.16 55.92 1xs8 n GLU 33 Cb 1.03 -1.04 -0.16 0.00 1.43 0.00 0.00 31.44 32.70 1xs8 n GLU 33 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xs8 s ILE 34 N -1.12 2.49 0.60 3.84 -1.09 0.13 -0.61 121.20 125.45 1xs8 s ILE 34 Ca 0.07 -0.83 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1xs8 s ILE 34 Cb 0.07 -2.03 -0.01 0.00 -1.58 0.00 0.00 42.46 38.90 1xs8 s ILE 34 CO 0.19 0.53 0.95 -0.55 -1.23 0.00 0.00 174.94 174.83 1xs8 s SER 35 N 0.78 5.87 0.60 3.58 0.15 -1.26 -4.20 113.70 119.21 1xs8 s SER 35 Ca -0.06 1.04 0.30 0.00 0.70 0.00 0.00 55.95 57.92 1xs8 s SER 35 Cb -0.15 -2.07 1.72 0.00 -1.71 0.00 0.00 66.02 63.81 1xs8 s SER 35 CO -0.00 -0.97 2.13 0.11 1.20 0.00 0.00 173.24 175.70 1xs8 h LYS 36 N -0.24 0.00 0.59 5.44 1.57 -1.95 -0.78 116.57 121.20 1xs8 h LYS 36 Ca -0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1xs8 h LYS 36 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.54 1xs8 h LYS 36 CO 0.62 0.00 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.78 1xs8 h ASP 37 N 0.00 -0.67 -0.46 0.86 3.32 -1.93 -1.48 116.42 116.07 1xs8 h ASP 37 Ca 0.07 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1xs8 h ASP 37 Cb 0.41 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1xs8 h ASP 37 CO -0.00 -0.47 -0.07 0.00 -1.72 0.00 0.00 179.24 176.98 1xs8 h ALA 38 N -1.63 0.92 -0.28 3.45 0.00 -1.80 -1.41 119.26 118.50 1xs8 h ALA 38 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xs8 h ALA 38 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xs8 h ALA 38 CO 0.13 0.63 0.18 2.35 0.00 0.00 0.00 179.25 182.55 1xs8 h TRP 39 N 0.83 0.34 -0.50 0.00 2.91 -1.23 -0.86 115.95 117.44 1xs8 h TRP 39 Ca 0.14 0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.05 1xs8 h TRP 39 Cb 0.59 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.11 1xs8 h TRP 39 CO 0.04 0.21 -0.14 0.00 -1.03 0.00 0.00 178.44 177.52 1xs8 h ALA 40 N 1.11 0.70 -0.60 2.65 0.00 -1.07 -2.40 119.26 119.64 1xs8 h ALA 40 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xs8 h ALA 40 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1xs8 h ALA 40 CO -0.03 0.63 0.38 1.96 0.00 0.00 0.00 179.25 182.19 1xs8 h GLN 41 N 0.85 0.81 0.16 0.00 4.20 -0.98 -0.73 115.11 119.42 1xs8 h GLN 41 Ca 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1xs8 h GLN 41 Cb 0.71 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1xs8 h GLN 41 CO 0.05 0.56 -0.07 2.35 -0.67 0.00 0.00 178.83 181.05 1xs8 h TRP 42 N 0.82 -0.19 -0.97 2.96 -0.00 -1.06 0.79 115.95 118.30 1xs8 h TRP 42 Ca 0.22 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.14 1xs8 h TRP 42 Cb -0.05 0.06 -0.05 0.00 -0.00 0.00 0.00 29.16 29.12 1xs8 h TRP 42 CO -0.03 0.09 0.64 1.96 -0.00 0.00 0.00 178.44 181.11 1xs8 h GLN 43 N -0.48 1.20 0.12 2.65 4.20 -1.36 0.23 115.11 121.68 1xs8 h GLN 43 Ca -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1xs8 h GLN 43 Cb 0.37 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1xs8 h GLN 43 CO 0.03 0.79 -0.06 1.25 -0.67 0.00 0.00 178.83 180.18 1xs8 h HIS 44 N 1.24 -0.15 -0.25 2.96 2.76 -1.00 -0.72 115.15 119.98 1xs8 h HIS 44 Ca 0.38 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1xs8 h HIS 44 Cb -0.02 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1xs8 h HIS 44 CO -0.00 0.09 0.09 -0.22 -1.30 0.00 0.00 177.93 176.59 1xs8 h LYS 45 N -0.39 0.21 -0.24 5.26 1.63 -0.35 -1.49 116.57 121.20 1xs8 h LYS 45 Ca -0.02 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1xs8 h LYS 45 Cb 0.31 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1xs8 h LYS 45 CO 0.03 0.14 -0.05 0.37 -3.45 0.00 0.00 179.45 176.48 1xs8 h GLN 46 N 0.21 0.46 -0.82 1.90 4.15 -0.54 0.97 115.11 121.44 1xs8 h GLN 46 Ca 0.11 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.39 1xs8 h GLN 46 Cb 0.07 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 1xs8 h GLN 46 CO -0.11 0.68 0.53 1.15 -1.93 0.00 0.00 178.83 179.15 1xs8 h THR 47 N 0.21 1.12 -0.42 2.39 2.02 -1.04 0.21 112.91 117.38 1xs8 h THR 47 Ca 0.06 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1xs8 h THR 47 Cb 0.51 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1xs8 h THR 47 CO 0.02 0.19 0.21 -0.03 0.37 0.00 0.00 175.52 176.28 1xs8 h MET 48 N 1.01 0.61 -0.68 6.66 1.85 -1.04 -2.49 114.93 120.86 1xs8 h MET 48 Ca 0.33 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.34 1xs8 h MET 48 Cb 0.03 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 1xs8 h MET 48 CO -0.12 0.51 0.44 1.25 -0.40 0.00 0.00 176.91 178.59 1xs8 h LEU 49 N 0.55 0.78 -0.68 3.39 5.85 0.31 0.17 115.31 125.67 1xs8 h LEU 49 Ca 0.15 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xs8 h LEU 49 Cb 0.10 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1xs8 h LEU 49 CO -0.02 0.58 0.44 0.40 -0.34 0.00 0.00 178.44 179.50 1xs8 h ILE 50 N 0.92 1.15 -0.07 4.05 2.04 -0.50 -0.05 117.51 125.05 1xs8 h ILE 50 Ca 0.25 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.63 1xs8 h ILE 50 Cb -0.09 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1xs8 h ILE 50 CO -0.05 0.16 -0.70 0.78 0.00 0.00 0.00 178.15 178.35 1xs8 h ASN 51 N 0.90 0.37 0.23 1.72 4.21 -0.94 0.24 115.58 122.31 1xs8 h ASN 51 Ca 0.26 -0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1xs8 h ASN 51 Cb -0.07 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.02 1xs8 h ASN 51 CO -0.07 0.95 -0.11 -0.33 -1.29 0.00 0.00 177.43 176.58 1xs8 h GLU 52 N 0.22 -0.30 0.00 0.81 5.08 -0.70 -3.21 114.58 116.49 1xs8 h GLU 52 Ca -0.02 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1xs8 h GLU 52 Cb 1.25 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1xs8 h GLU 52 CO 0.11 0.04 -0.37 0.87 -1.00 0.00 0.00 179.01 178.66 1xs8 h LYS 53 N -0.67 0.00 -5.46 2.33 1.57 -1.01 -3.48 116.57 109.85 1xs8 h LYS 53 Ca -0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1xs8 h LYS 53 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xs8 h LYS 53 CO 0.05 0.37 -0.54 1.63 -0.57 0.00 0.00 179.45 180.40 1xs8 n LYS 54 N -3.82 -2.21 -4.19 3.15 5.02 0.83 -5.06 118.16 111.87 1xs8 n LYS 54 Ca -0.01 1.96 -0.14 0.00 -2.02 0.00 0.00 58.31 58.10 1xs8 n LYS 54 Cb 0.44 -5.24 -0.10 0.00 -0.02 0.00 0.00 35.03 30.11 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xs8 s LEU 55 N -2.78 2.45 -0.10 -0.35 0.05 -1.15 -5.06 118.68 111.74 1xs8 s LEU 55 Ca 0.23 -0.89 -0.02 0.00 0.05 0.00 0.00 54.13 53.50 1xs8 s LEU 55 Cb -0.06 -0.28 -0.03 0.00 -2.05 0.00 0.00 46.19 43.77 1xs8 s LEU 55 CO 0.78 -0.31 -0.02 0.20 -0.55 0.00 0.00 176.35 176.45 1xs8 s ASN 56 N -2.72 5.00 0.00 1.48 -0.87 -1.26 -4.93 114.94 111.64 1xs8 s ASN 56 Ca 0.09 0.03 0.29 0.00 -1.57 0.00 0.00 52.86 51.71 1xs8 s ASN 56 Cb -0.00 -1.50 1.30 0.00 -0.02 0.00 0.00 41.25 41.03 1xs8 s ASN 56 CO -0.01 0.31 1.89 0.23 -2.57 0.00 0.00 177.10 176.96 1xs8 n MET 57 N 2.58 1.10 0.22 -0.60 2.81 -1.26 -2.99 117.12 118.98 1xs8 n MET 57 Ca -0.18 -0.44 0.15 0.00 -1.81 0.00 0.00 57.70 55.42 1xs8 n MET 57 Cb 0.53 -1.49 0.54 0.00 -0.71 0.00 0.00 33.22 32.09 1xs8 n MET 57 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xs8 h MET 58 N 1.07 0.00 -6.14 0.03 2.86 -1.97 -3.40 114.93 107.38 1xs8 h MET 58 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1xs8 h MET 58 Cb 0.33 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1xs8 h MET 58 CO 0.00 0.00 -0.02 -0.80 1.06 0.00 0.00 176.91 177.15 1xs8 s ASN 59 N -5.33 7.01 0.60 1.22 -0.87 -1.16 -4.95 114.94 111.47 1xs8 s ASN 59 Ca 0.03 1.20 0.40 0.00 -1.57 0.00 0.00 52.86 52.92 1xs8 s ASN 59 Cb 0.09 -2.36 2.02 0.00 -0.02 0.00 0.00 41.25 40.97 1xs8 s ASN 59 CO 0.53 0.17 2.20 0.00 -2.57 0.00 0.00 177.10 177.44 1xs8 h ALA 60 N 5.18 1.00 0.38 0.60 0.00 -1.89 -1.22 119.26 123.32 1xs8 h ALA 60 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xs8 h ALA 60 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xs8 h ALA 60 CO 0.67 0.00 -0.38 0.93 0.00 0.00 0.00 179.25 180.47 1xs8 h GLU 61 N 0.00 -0.75 0.00 0.00 5.08 -1.92 -3.09 114.58 113.89 1xs8 h GLU 61 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xs8 h GLU 61 Cb 0.16 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xs8 h GLU 61 CO 0.00 -0.50 -0.89 0.72 -1.00 0.00 0.00 179.01 177.34 1xs8 n HIS 62 N -5.48 0.50 0.00 4.33 8.25 -0.84 -2.51 115.22 119.47 1xs8 n HIS 62 Ca -0.10 0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 1xs8 n HIS 62 Cb 0.38 -0.62 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 1xs8 n HIS 62 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1xs8 h ARG 63 N 0.00 0.07 -0.08 -0.41 9.65 -1.29 0.17 114.38 122.51 1xs8 h ARG 63 Ca 0.00 -0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 1xs8 h ARG 63 Cb 0.79 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 1xs8 h ARG 63 CO 0.00 0.22 -0.69 1.57 2.80 0.00 0.00 179.97 183.87 1xs8 h LYS 64 N -0.09 0.34 -0.52 0.20 2.10 -1.62 -2.91 116.57 114.06 1xs8 h LYS 64 Ca 0.02 -0.26 0.06 0.00 -2.00 0.00 0.00 60.65 58.46 1xs8 h LYS 64 Cb 0.18 0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.50 1xs8 h LYS 64 CO -0.00 0.90 0.22 1.25 -2.00 0.00 0.00 179.45 179.82 1xs8 h LEU 65 N 0.24 0.27 -0.28 7.07 5.85 -1.32 0.16 115.31 127.31 1xs8 h LEU 65 Ca -0.02 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1xs8 h LEU 65 Cb 1.24 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 1xs8 h LEU 65 CO 0.11 0.19 -0.43 0.25 -0.34 0.00 0.00 178.44 178.22 1xs8 h LEU 66 N 0.43 -1.39 -0.74 2.25 5.85 -0.53 0.19 115.31 121.37 1xs8 h LEU 66 Ca 0.25 0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.27 1xs8 h LEU 66 Cb 0.23 0.59 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 1xs8 h LEU 66 CO -0.22 -0.40 0.37 -0.08 -0.34 0.00 0.00 178.44 177.77 1xs8 h GLU 67 N -0.41 0.58 0.70 1.25 4.22 -1.15 0.41 114.58 120.18 1xs8 h GLU 67 Ca 0.11 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 1xs8 h GLU 67 Cb 0.60 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xs8 h GLU 67 CO -0.49 0.38 -0.37 1.96 -2.18 0.00 0.00 179.01 178.32 1xs8 h GLN 68 N 0.60 -0.94 -0.61 1.92 4.20 0.44 -2.56 115.11 118.16 1xs8 h GLN 68 Ca 0.38 0.06 -0.05 0.00 0.06 0.00 0.00 58.65 59.10 1xs8 h GLN 68 Cb 0.44 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1xs8 h GLN 68 CO -0.30 -0.63 0.20 0.93 -0.67 0.00 0.00 178.83 178.36 1xs8 h GLU 69 N -0.98 0.95 0.34 1.46 5.08 -0.51 -2.36 114.58 118.57 1xs8 h GLU 69 Ca -0.09 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1xs8 h GLU 69 Cb 0.76 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1xs8 h GLU 69 CO 0.14 0.84 -0.23 1.98 -1.00 0.00 0.00 179.01 180.73 1xs8 h MET 70 N 0.87 -0.54 -0.62 2.33 4.05 -0.95 -1.10 114.93 118.97 1xs8 h MET 70 Ca 0.20 0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1xs8 h MET 70 Cb 0.28 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 1xs8 h MET 70 CO -0.01 -0.36 0.16 0.28 0.23 0.00 0.00 176.91 177.21 1xs8 h VAL 71 N -0.56 1.24 0.00 -5.77 2.07 -1.42 -0.25 116.25 111.57 1xs8 h VAL 71 Ca -0.03 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1xs8 h VAL 71 Cb 0.47 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xs8 h VAL 71 CO 0.02 0.33 0.00 -1.20 0.02 0.00 0.00 177.57 176.75 1xs8 n SER 72 N -4.26 0.40 -0.12 0.57 7.64 -0.89 -0.83 113.62 116.13 1xs8 n SER 72 Ca 0.05 0.58 -0.24 0.00 1.01 0.00 0.00 58.87 60.27 1xs8 n SER 72 Cb 0.24 -0.67 -0.11 0.00 -1.01 0.00 0.00 64.21 62.66 1xs8 n SER 72 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xs8 n PHE 73 N -1.91 0.18 -0.05 1.43 7.35 -0.44 -3.24 117.46 120.78 1xs8 n PHE 73 Ca 0.04 0.06 -0.14 0.00 -0.76 0.00 0.00 57.45 56.64 1xs8 n PHE 73 Cb 0.27 -1.02 -0.12 0.00 0.35 0.00 0.00 39.48 38.95 1xs8 n PHE 73 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1xs8 h LEU 74 N -0.49 0.04 0.00 -2.13 3.38 -1.05 -3.33 115.31 111.73 1xs8 h LEU 74 Ca -0.60 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.46 1xs8 h LEU 74 Cb 1.75 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1xs8 h LEU 74 CO -0.23 0.94 -0.86 0.49 0.09 0.00 0.00 178.44 178.87 1xs8 n PHE 75 N -4.62 0.05 0.00 1.13 3.72 -0.01 -4.37 117.46 113.36 1xs8 n PHE 75 Ca -0.10 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1xs8 n PHE 75 Cb 0.46 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1xs8 n PHE 75 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xs8 n GLU 76 N -1.61 0.00 -3.05 -1.08 1.02 -0.57 -4.73 120.64 110.62 1xs8 n GLU 76 Ca 0.04 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.73 1xs8 n GLU 76 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.76 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xs8 s GLY 77 N 0.00 2.25 0.26 0.62 0.00 -1.26 -4.28 107.32 104.91 1xs8 s GLY 77 Ca 0.00 -3.05 0.11 0.00 0.00 0.00 0.00 44.72 41.78 1xs8 s GLY 77 CO 0.00 1.79 -0.19 -1.59 0.00 0.00 0.00 173.10 173.11 1xs8 s LYS 78 N 1.69 1.58 0.13 2.90 0.00 -1.26 -5.06 119.74 119.72 1xs8 s LYS 78 Ca 0.30 -1.71 0.23 0.00 0.00 0.00 0.00 55.97 54.80 1xs8 s LYS 78 Cb -0.06 -1.62 0.20 0.00 0.00 0.00 0.00 37.83 36.35 1xs8 s LYS 78 CO -0.08 0.30 1.20 -0.44 0.00 0.00 0.00 175.35 176.33 1xs8 h ASP 79 N 2.40 0.00 -2.59 0.03 3.32 -2.01 -3.45 116.42 114.13 1xs8 h ASP 79 Ca -0.40 -0.19 -0.55 0.00 0.02 0.00 0.00 57.03 55.92 1xs8 h ASP 79 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1xs8 h ASP 79 CO 0.60 0.09 1.10 -0.69 -1.72 0.00 0.00 179.24 178.62 1xs8 s VAL 80 N -3.22 3.52 0.08 -1.35 1.01 -1.26 -4.95 120.40 114.23 1xs8 s VAL 80 Ca 0.04 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1xs8 s VAL 80 Cb 0.12 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1xs8 s VAL 80 CO 0.75 -0.05 1.06 -1.00 0.00 0.00 0.00 175.10 175.86 1xs8 s HIS 81 N 4.04 3.62 -0.35 5.22 3.76 -1.26 -5.02 115.29 125.31 1xs8 s HIS 81 Ca 0.75 1.60 -0.11 0.00 -0.15 0.00 0.00 55.06 57.15 1xs8 s HIS 81 Cb -0.34 -3.22 0.01 0.00 1.11 0.00 0.00 32.58 30.14 1xs8 s HIS 81 CO 0.31 -0.42 0.19 0.42 -0.85 0.00 0.00 174.74 174.39 1xs8 s ILE 82 N 0.48 4.65 -1.59 0.60 1.01 -1.26 -4.38 121.20 120.71 1xs8 s ILE 82 Ca 0.52 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1xs8 s ILE 82 Cb -0.26 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1xs8 s ILE 82 CO 0.30 -0.12 0.00 -0.62 0.00 0.00 0.00 174.94 174.51 1xs8 n GLU 83 N 5.00 -1.22 -0.50 2.79 -0.58 -1.26 -4.86 120.64 120.01 1xs8 n GLU 83 Ca -0.13 0.95 0.05 0.00 -0.42 0.00 0.00 57.16 57.62 1xs8 n GLU 83 Cb 0.47 -5.25 0.25 0.00 -0.57 0.00 0.00 31.44 26.35 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs8 n GLY 84 N -0.98 2.15 2.40 0.62 0.00 -1.26 -4.87 105.19 103.24 1xs8 n GLY 84 Ca -0.18 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1xs8 n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xs8 n TYR 85 N 0.55 -0.10 -3.11 1.61 4.02 -1.26 -4.99 117.16 113.88 1xs8 n TYR 85 Ca 0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.66 1xs8 n TYR 85 Cb 0.75 -2.63 -0.06 0.00 -0.02 0.00 0.00 39.34 37.38 1xs8 n TYR 85 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1xs8 s THR 86 N -2.56 5.00 -2.00 -0.72 -4.23 -1.26 -4.94 115.64 104.92 1xs8 s THR 86 Ca 0.00 1.15 0.10 0.00 -1.18 0.00 0.00 61.69 61.75 1xs8 s THR 86 Cb 0.00 -3.94 0.27 0.00 1.34 0.00 0.00 72.50 70.18 1xs8 s THR 86 CO 0.00 0.06 1.06 -2.65 -0.54 0.00 0.00 174.62 172.55 1xs8 n PRO 87 N 5.48 0.60 -2.51 3.99 -0.02 -1.26 -4.80 135.00 136.48 1xs8 n PRO 87 Ca -0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.27 1xs8 n PRO 87 Cb 0.49 -1.25 -0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1xs8 n PRO 87 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xs8 n GLU 88 N -0.75 -2.23 0.00 -0.52 -0.58 -1.26 -4.92 120.64 110.37 1xs8 n GLU 88 Ca 0.07 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 1xs8 n GLU 88 Cb 0.03 -5.63 0.00 0.00 -0.57 0.00 0.00 31.44 25.27 1xs8 n GLU 88 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1xs8 n ASP 89 N -2.07 0.00 0.04 1.62 5.75 -1.26 -3.43 116.55 117.20 1xs8 n ASP 89 Ca -0.21 0.98 0.11 0.00 -0.01 0.00 0.00 54.79 55.65 1xs8 n ASP 89 Cb 0.67 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 1xs8 n ASP 89 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1xs8 n LYS 90 N -2.32 0.62 -0.67 0.11 4.81 -1.26 -5.30 118.16 114.15 1xs8 n LYS 90 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1xs8 n LYS 90 Cb 0.00 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1xs8 n LYS 90 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74