#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 6.35 -0.46 3.17 0.01 -1.26 -5.07 113.70 116.43 1xs8 s SER 2 Ca 0.00 0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.53 1xs8 s SER 2 Cb 0.00 -1.94 0.12 0.00 0.21 0.00 0.00 66.02 64.42 1xs8 s SER 2 CO 0.00 -0.02 0.21 -0.60 0.41 0.00 0.00 173.24 173.24 1xs8 s ARG 3 N -3.47 1.69 -0.30 12.44 3.52 -1.26 -5.07 118.95 126.50 1xs8 s ARG 3 Ca 0.36 -2.29 -0.28 0.00 -0.13 0.00 0.00 55.73 53.39 1xs8 s ARG 3 Cb -0.11 -3.04 0.01 0.00 -1.56 0.00 0.00 34.95 30.26 1xs8 s ARG 3 CO 0.29 -1.08 1.04 0.99 -0.81 0.00 0.00 175.30 175.73 1xs8 s THR 4 N 0.15 4.58 0.37 4.11 2.01 -1.26 -0.34 115.64 125.26 1xs8 s THR 4 Ca 0.16 1.76 0.04 0.00 0.31 0.00 0.00 61.69 63.95 1xs8 s THR 4 Cb -0.24 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 1xs8 s THR 4 CO -0.03 -0.38 0.07 0.27 -0.69 0.00 0.00 174.62 173.87 1xs8 s ILE 5 N 3.47 1.03 -0.52 1.82 -5.25 0.16 -4.90 121.20 117.01 1xs8 s ILE 5 Ca 0.44 -2.00 -0.17 0.00 -0.99 0.00 0.00 60.65 57.93 1xs8 s ILE 5 Cb -0.13 -2.60 0.09 0.00 2.95 0.00 0.00 42.46 42.77 1xs8 s ILE 5 CO 0.13 0.00 0.52 -0.36 -1.79 0.00 0.00 174.94 173.43 1xs8 s PHE 6 N -3.20 3.17 0.27 1.37 0.08 -1.26 0.29 117.98 118.70 1xs8 s PHE 6 Ca 0.29 -0.97 -0.29 0.00 0.12 0.00 0.00 56.93 56.08 1xs8 s PHE 6 Cb 0.06 -3.56 -0.09 0.00 -0.57 0.00 0.00 43.02 38.86 1xs8 s PHE 6 CO 0.14 -0.99 1.19 0.00 -0.10 0.00 0.00 175.22 175.46 1xs8 h THR 8 N 3.27 1.24 0.00 0.00 1.35 -0.96 0.84 112.91 118.65 1xs8 h THR 8 Ca -0.47 -0.68 -0.09 0.00 -0.55 0.00 0.00 66.41 64.63 1xs8 h THR 8 Cb 1.22 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1xs8 h THR 8 CO 0.69 0.29 -0.41 0.22 -0.25 0.00 0.00 175.52 176.06 1xs8 h TYR 9 N 1.03 0.00 0.00 4.73 3.20 -1.78 -3.17 116.97 120.99 1xs8 h TYR 9 Ca 0.25 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.92 1xs8 h TYR 9 Cb 0.13 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1xs8 h TYR 9 CO 0.01 0.41 -2.18 1.28 -1.64 0.00 0.00 178.16 176.03 1xs8 n LEU 10 N -3.66 0.00 0.00 2.82 4.32 -1.06 -4.97 117.00 114.45 1xs8 n LEU 10 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1xs8 n LEU 10 Cb 0.50 0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1xs8 n LEU 10 CO 0.38 0.27 0.00 0.00 -1.22 0.00 0.00 177.39 176.82 1xs8 n GLN 11 N -2.51 -1.34 -3.72 3.23 1.13 0.29 -4.93 117.38 109.51 1xs8 n GLN 11 Ca -0.20 0.34 -0.18 0.00 -1.94 0.00 0.00 57.00 55.02 1xs8 n GLN 11 Cb 0.89 -4.37 -0.05 0.00 0.11 0.00 0.00 30.24 26.82 1xs8 n GLN 11 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xs8 n ARG 12 N -0.29 0.62 -2.65 -1.09 1.74 -1.23 -4.86 116.66 108.90 1xs8 n ARG 12 Ca 0.00 -2.49 -0.41 0.00 -0.77 0.00 0.00 57.85 54.18 1xs8 n ARG 12 Cb 0.34 1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 33.19 1xs8 n ARG 12 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1xs8 s ASP 13 N -2.80 7.40 0.38 0.55 -4.77 -1.25 -0.98 116.67 115.19 1xs8 s ASP 13 Ca 0.17 1.89 -0.06 0.00 -3.30 0.00 0.00 52.55 51.25 1xs8 s ASP 13 Cb 0.01 -2.59 0.03 0.00 -1.09 0.00 0.00 42.92 39.27 1xs8 s ASP 13 CO 0.12 -0.14 0.61 0.00 0.70 0.00 0.00 175.17 176.46 1xs8 s ALA 14 N 0.02 0.29 -0.01 2.11 0.00 0.14 -4.89 121.76 119.42 1xs8 s ALA 14 Ca 0.48 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1xs8 s ALA 14 Cb -0.25 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1xs8 s ALA 14 CO 0.31 -0.86 0.98 -2.00 0.00 0.00 0.00 175.76 174.19 1xs8 s GLU 15 N -2.58 4.55 -0.05 0.00 2.56 -1.26 -0.67 118.70 121.25 1xs8 s GLU 15 Ca 0.25 1.41 -0.02 0.00 0.00 0.00 0.00 54.97 56.62 1xs8 s GLU 15 Cb -0.02 -3.47 -0.06 0.00 2.00 0.00 0.00 34.13 32.58 1xs8 s GLU 15 CO 0.18 -0.07 2.53 0.41 -0.56 0.00 0.00 175.26 177.75 1xs8 n GLY 16 N 2.92 2.87 3.82 -1.50 0.00 0.53 -3.70 105.19 110.14 1xs8 n GLY 16 Ca 0.06 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1xs8 n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xs8 n GLN 17 N 1.68 -1.09 -2.02 1.61 0.00 -1.19 -4.50 117.38 111.86 1xs8 n GLN 17 Ca 0.18 0.57 -0.42 0.00 -0.00 0.00 0.00 57.00 57.32 1xs8 n GLN 17 Cb 0.64 -2.77 -0.03 0.00 0.00 0.00 0.00 30.24 28.09 1xs8 n GLN 17 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1xs8 s ASP 18 N -3.20 6.66 0.00 1.69 -4.77 -1.26 -4.52 116.67 111.27 1xs8 s ASP 18 Ca 0.20 2.20 0.00 0.00 -3.30 0.00 0.00 52.55 51.65 1xs8 s ASP 18 Cb -0.10 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 1xs8 s ASP 18 CO 0.91 -0.93 0.00 0.49 0.70 0.00 0.00 175.17 176.33 1xs8 n PHE 19 N 7.17 -0.44 -2.65 2.11 3.72 -1.26 -5.09 117.46 121.01 1xs8 n PHE 19 Ca 0.17 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.53 1xs8 n PHE 19 Cb 0.43 0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1xs8 n PHE 19 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xs8 n GLN 20 N -1.36 -2.61 0.00 -1.08 1.13 -1.26 -5.05 117.38 107.16 1xs8 n GLN 20 Ca 0.00 2.24 0.00 0.00 -1.94 0.00 0.00 57.00 57.30 1xs8 n GLN 20 Cb 0.00 -5.11 0.00 0.00 0.11 0.00 0.00 30.24 25.24 1xs8 n GLN 20 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1xs8 n LEU 21 N 0.12 0.45 -0.04 1.08 4.32 -1.26 -4.96 117.00 116.70 1xs8 n LEU 21 Ca 0.06 0.08 -0.09 0.00 -0.02 0.00 0.00 56.01 56.04 1xs8 n LEU 21 Cb 0.22 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 41.73 1xs8 n LEU 21 CO 0.42 -0.26 -0.75 -1.22 -1.22 0.00 0.00 177.39 174.35 1xs8 n TYR 22 N -1.80 0.00 -2.60 -1.77 4.01 -1.26 -5.01 117.16 108.73 1xs8 n TYR 22 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1xs8 n TYR 22 Cb 0.00 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 1xs8 n TYR 22 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1xs8 s PRO 23 N -2.17 4.56 0.00 -0.72 0.02 -1.26 -5.00 135.00 130.42 1xs8 s PRO 23 Ca -0.12 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1xs8 s PRO 23 Cb 0.04 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.18 1xs8 s PRO 23 CO 0.15 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.20 1xs8 n GLY 24 N 2.72 0.63 0.11 0.52 0.00 -1.26 -3.63 105.19 104.27 1xs8 n GLY 24 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1xs8 n GLY 24 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xs8 h GLU 25 N 0.00 0.26 -0.39 1.61 5.08 -1.99 0.57 114.58 119.73 1xs8 h GLU 25 Ca 0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1xs8 h GLU 25 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1xs8 h GLU 25 CO 0.00 0.20 -0.07 1.25 -1.00 0.00 0.00 179.01 179.39 1xs8 h LEU 26 N 0.25 0.63 0.42 1.33 5.85 -1.98 -0.61 115.31 121.20 1xs8 h LEU 26 Ca 0.07 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1xs8 h LEU 26 Cb -0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1xs8 h LEU 26 CO -0.01 0.75 -0.20 1.23 -0.34 0.00 0.00 178.44 179.86 1xs8 h GLY 27 N 0.95 -0.59 2.00 3.75 0.00 -1.43 -2.29 103.07 105.46 1xs8 h GLY 27 Ca 0.11 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1xs8 h GLY 27 CO 0.03 -0.22 -0.11 0.07 0.00 0.00 0.00 176.54 176.31 1xs8 h LYS 28 N -0.66 0.00 -0.16 4.80 2.10 -0.88 -0.40 116.57 121.37 1xs8 h LYS 28 Ca -0.06 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 1xs8 h LYS 28 Cb 0.48 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 1xs8 h LYS 28 CO 0.10 0.11 -0.07 -0.09 -2.00 0.00 0.00 179.45 177.50 1xs8 h ARG 29 N 0.00 0.24 0.05 0.07 2.43 -0.78 -0.32 114.38 116.07 1xs8 h ARG 29 Ca -0.00 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1xs8 h ARG 29 Cb 0.66 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1xs8 h ARG 29 CO 0.01 0.33 -1.09 0.82 -1.51 0.00 0.00 179.97 178.53 1xs8 h ILE 30 N 0.23 1.13 0.00 1.20 2.04 -0.80 -3.38 117.51 117.93 1xs8 h ILE 30 Ca 0.05 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.60 1xs8 h ILE 30 Cb 0.28 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1xs8 h ILE 30 CO 0.01 0.55 0.00 1.88 0.00 0.00 0.00 178.15 180.59 1xs8 h TYR 31 N -0.68 0.00 0.00 1.37 0.05 -0.99 -2.31 116.97 114.41 1xs8 h TYR 31 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1xs8 h TYR 31 Cb 1.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.19 1xs8 h TYR 31 CO 0.14 0.00 0.00 -2.95 -1.05 0.00 0.00 178.16 174.30 1xs8 h ASN 32 N 0.00 0.00 0.00 3.88 7.08 -1.23 -2.99 115.58 122.32 1xs8 h ASN 32 Ca 0.00 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.17 1xs8 h ASN 32 Cb 0.40 0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 36.54 1xs8 h ASN 32 CO 0.00 0.00 -0.60 -0.62 -2.08 0.00 0.00 177.43 174.13 1xs8 n GLU 33 N -2.44 0.16 -4.11 4.14 1.02 -0.99 -4.55 120.64 113.87 1xs8 n GLU 33 Ca 0.02 -1.46 -0.25 0.00 -0.02 0.00 0.00 57.16 55.45 1xs8 n GLU 33 Cb 0.24 -0.49 -0.17 0.00 -0.02 0.00 0.00 31.44 31.00 1xs8 n GLU 33 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xs8 s ILE 34 N -0.34 0.90 0.63 -3.67 -1.09 -0.90 -0.37 121.20 116.36 1xs8 s ILE 34 Ca 0.13 -0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 58.18 1xs8 s ILE 34 Cb 0.14 -0.91 -0.02 0.00 -1.58 0.00 0.00 42.46 40.08 1xs8 s ILE 34 CO -0.04 0.33 1.03 -0.94 -1.23 0.00 0.00 174.94 174.08 1xs8 s SER 35 N 1.35 6.02 0.45 3.58 1.04 -1.24 -3.18 113.70 121.71 1xs8 s SER 35 Ca -0.03 1.30 0.13 0.00 0.48 0.00 0.00 55.95 57.83 1xs8 s SER 35 Cb -0.14 -2.30 1.01 0.00 0.10 0.00 0.00 66.02 64.69 1xs8 s SER 35 CO -0.03 -0.97 2.01 0.11 0.98 0.00 0.00 173.24 175.34 1xs8 h LYS 36 N -0.36 0.07 0.23 4.02 1.57 -1.95 0.14 116.57 120.29 1xs8 h LYS 36 Ca -0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1xs8 h LYS 36 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1xs8 h LYS 36 CO 0.62 0.19 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.14 1xs8 h ASP 37 N 0.07 -0.26 -0.49 0.86 3.32 -1.92 0.63 116.42 118.62 1xs8 h ASP 37 Ca 0.01 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1xs8 h ASP 37 Cb 0.25 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1xs8 h ASP 37 CO 0.02 -0.04 0.21 0.00 -1.72 0.00 0.00 179.24 177.71 1xs8 h ALA 38 N 0.24 0.64 0.34 3.45 0.00 -1.84 -0.55 119.26 121.53 1xs8 h ALA 38 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xs8 h ALA 38 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xs8 h ALA 38 CO 0.05 0.23 -0.16 2.35 0.00 0.00 0.00 179.25 181.72 1xs8 h TRP 39 N 0.65 -0.42 -0.45 0.00 2.91 -0.94 -0.53 115.95 117.17 1xs8 h TRP 39 Ca 0.17 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.16 1xs8 h TRP 39 Cb 0.17 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1xs8 h TRP 39 CO 0.00 -0.23 0.22 0.00 -1.03 0.00 0.00 178.44 177.40 1xs8 h ALA 40 N 0.16 0.58 -0.55 2.65 0.00 -0.79 -0.88 119.26 120.44 1xs8 h ALA 40 Ca -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1xs8 h ALA 40 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xs8 h ALA 40 CO 0.08 0.14 0.06 1.96 0.00 0.00 0.00 179.25 181.49 1xs8 h GLN 41 N 0.59 0.90 -0.02 0.00 1.08 -1.05 0.13 115.11 116.73 1xs8 h GLN 41 Ca 0.16 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1xs8 h GLN 41 Cb 0.11 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1xs8 h GLN 41 CO -0.02 0.86 0.00 2.35 -0.95 0.00 0.00 178.83 181.07 1xs8 h TRP 42 N 0.84 0.03 -0.94 2.96 -0.00 -0.76 0.13 115.95 118.22 1xs8 h TRP 42 Ca 0.17 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.05 1xs8 h TRP 42 Cb 0.42 -0.01 -0.05 0.00 -0.00 0.00 0.00 29.16 29.52 1xs8 h TRP 42 CO 0.03 0.27 0.56 1.96 -0.00 0.00 0.00 178.44 181.26 1xs8 h GLN 43 N -0.22 1.28 -0.24 2.65 1.08 -0.95 0.22 115.11 118.93 1xs8 h GLN 43 Ca 0.01 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1xs8 h GLN 43 Cb 0.26 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1xs8 h GLN 43 CO 0.00 0.90 0.08 1.25 -0.95 0.00 0.00 178.83 180.10 1xs8 h HIS 44 N 1.30 0.38 -0.48 2.96 2.76 -0.65 -0.33 115.15 121.09 1xs8 h HIS 44 Ca 0.34 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1xs8 h HIS 44 Cb -0.05 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1xs8 h HIS 44 CO 0.01 0.44 0.28 -0.22 -1.30 0.00 0.00 177.93 177.13 1xs8 h LYS 45 N 0.22 0.66 -0.86 5.26 1.63 -0.21 -2.26 116.57 121.00 1xs8 h LYS 45 Ca 0.08 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1xs8 h LYS 45 Cb 0.23 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1xs8 h LYS 45 CO -0.00 0.49 0.53 0.37 -3.45 0.00 0.00 179.45 177.39 1xs8 h GLN 46 N 0.64 1.16 -0.62 1.90 5.75 -0.43 -1.86 115.11 121.65 1xs8 h GLN 46 Ca 0.17 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1xs8 h GLN 46 Cb 0.01 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.28 1xs8 h GLN 46 CO -0.03 0.81 0.38 1.15 -2.65 0.00 0.00 178.83 178.49 1xs8 h THR 47 N 1.19 1.08 -0.46 2.39 2.02 -0.51 -0.35 112.91 118.27 1xs8 h THR 47 Ca 0.31 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1xs8 h THR 47 Cb -0.07 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1xs8 h THR 47 CO -0.06 0.14 0.19 -0.03 0.37 0.00 0.00 175.52 176.13 1xs8 h MET 48 N 0.75 0.68 -0.63 6.66 1.85 -0.88 -2.47 114.93 120.89 1xs8 h MET 48 Ca 0.25 -0.12 -0.02 0.00 -0.61 0.00 0.00 59.70 59.20 1xs8 h MET 48 Cb 0.02 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.91 1xs8 h MET 48 CO -0.10 0.61 0.30 -0.07 -0.40 0.00 0.00 176.91 177.25 1xs8 h LEU 49 N 0.60 0.81 -0.76 3.39 4.07 -0.85 0.68 115.31 123.25 1xs8 h LEU 49 Ca 0.15 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1xs8 h LEU 49 Cb 0.18 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 1xs8 h LEU 49 CO -0.01 0.69 0.41 0.40 -1.08 0.00 0.00 178.44 178.84 1xs8 h ILE 50 N 0.90 1.23 -0.41 1.22 2.04 -0.82 0.84 117.51 122.50 1xs8 h ILE 50 Ca 0.22 -0.59 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 1xs8 h ILE 50 Cb 0.10 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1xs8 h ILE 50 CO -0.03 0.26 -0.23 0.78 0.00 0.00 0.00 178.15 178.93 1xs8 h ASN 51 N 1.05 0.92 0.01 1.72 2.35 -0.87 -0.82 115.58 119.94 1xs8 h ASN 51 Ca 0.27 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1xs8 h ASN 51 Cb 0.05 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1xs8 h ASN 51 CO -0.04 1.14 -0.00 -0.33 -1.65 0.00 0.00 177.43 176.54 1xs8 h GLU 52 N 0.71 -0.01 -0.01 0.81 4.39 -0.61 -3.21 114.58 116.66 1xs8 h GLU 52 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1xs8 h GLU 52 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1xs8 h GLU 52 CO 0.07 0.39 0.00 1.63 -1.16 0.00 0.00 179.01 179.94 1xs8 n LYS 53 N -4.90 1.57 -3.14 2.33 5.02 0.26 -4.96 118.16 114.34 1xs8 n LYS 53 Ca -0.08 -0.83 -0.03 0.00 -2.02 0.00 0.00 58.31 55.35 1xs8 n LYS 53 Cb 0.21 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1xs8 n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xs8 n LYS 54 N 0.00 -1.39 -4.24 1.97 4.01 -0.44 -5.03 118.16 113.05 1xs8 n LYS 54 Ca 0.20 1.39 -0.31 0.00 -0.51 0.00 0.00 58.31 59.08 1xs8 n LYS 54 Cb 0.32 -5.47 -0.09 0.00 -0.51 0.00 0.00 35.03 29.28 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1xs8 s LEU 55 N -4.18 3.30 -0.23 -0.35 1.43 -0.44 -5.05 118.68 113.16 1xs8 s LEU 55 Ca 0.03 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1xs8 s LEU 55 Cb -0.01 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 1xs8 s LEU 55 CO 0.76 0.21 -0.04 0.21 0.23 0.00 0.00 176.35 177.72 1xs8 s ASN 56 N -2.02 4.31 -1.43 2.29 2.47 -1.26 -4.84 114.94 114.46 1xs8 s ASN 56 Ca 0.22 -0.48 -0.10 0.00 0.42 0.00 0.00 52.86 52.92 1xs8 s ASN 56 Cb -0.11 -1.73 0.06 0.00 -1.45 0.00 0.00 41.25 38.01 1xs8 s ASN 56 CO 0.14 -0.04 2.37 0.80 -3.72 0.00 0.00 177.10 176.64 1xs8 n MET 57 N 4.78 3.65 0.00 0.43 1.56 -1.26 -3.59 117.12 122.70 1xs8 n MET 57 Ca -0.18 -2.92 0.00 0.00 -0.27 0.00 0.00 57.70 54.33 1xs8 n MET 57 Cb 0.50 -2.93 0.00 0.00 2.15 0.00 0.00 33.22 32.95 1xs8 n MET 57 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xs8 n MET 58 N 3.92 1.99 -2.50 2.12 0.00 -1.26 -5.06 117.12 116.33 1xs8 n MET 58 Ca 0.58 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.89 1xs8 n MET 58 Cb 0.31 -0.66 -0.04 0.00 0.00 0.00 0.00 33.22 32.83 1xs8 n MET 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1xs8 s ASN 59 N -1.38 7.18 0.53 3.17 -0.87 -1.24 -4.92 114.94 117.42 1xs8 s ASN 59 Ca 0.00 2.21 0.27 0.00 -1.57 0.00 0.00 52.86 53.76 1xs8 s ASN 59 Cb 0.00 -2.62 1.51 0.00 -0.02 0.00 0.00 41.25 40.12 1xs8 s ASN 59 CO 0.00 -0.20 2.12 0.00 -2.57 0.00 0.00 177.10 176.45 1xs8 h ALA 60 N 3.56 1.41 -0.76 0.60 0.00 -1.98 -1.62 119.26 120.47 1xs8 h ALA 60 Ca -0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1xs8 h ALA 60 Cb 1.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1xs8 h ALA 60 CO 0.66 0.11 0.40 0.93 0.00 0.00 0.00 179.25 181.35 1xs8 h GLU 61 N 0.00 1.06 0.00 0.00 4.39 -1.98 0.15 114.58 118.20 1xs8 h GLU 61 Ca -0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1xs8 h GLU 61 Cb 0.23 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1xs8 h GLU 61 CO 0.01 0.79 -0.41 0.45 -1.16 0.00 0.00 179.01 178.69 1xs8 h HIS 62 N 1.07 0.00 -0.10 4.33 3.86 -1.67 -2.64 115.15 120.00 1xs8 h HIS 62 Ca 0.27 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 1xs8 h HIS 62 Cb 0.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1xs8 h HIS 62 CO 0.01 0.00 -0.10 0.00 0.86 0.00 0.00 177.93 178.70 1xs8 h ARG 63 N 0.00 0.24 -0.31 2.45 2.47 -0.57 0.50 114.38 119.16 1xs8 h ARG 63 Ca 0.00 -0.13 -0.09 0.00 -1.26 0.00 0.00 59.98 58.50 1xs8 h ARG 63 Cb 0.96 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 1xs8 h ARG 63 CO 0.00 0.66 -0.18 1.57 0.56 0.00 0.00 179.97 182.58 1xs8 h LYS 64 N -0.17 0.56 -0.20 0.04 2.10 -0.80 0.17 116.57 118.28 1xs8 h LYS 64 Ca 0.02 -0.19 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 1xs8 h LYS 64 Cb 0.62 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1xs8 h LYS 64 CO 0.02 0.72 0.08 -0.07 -2.00 0.00 0.00 179.45 178.21 1xs8 h LEU 65 N 0.51 0.27 -0.89 7.07 -0.00 -1.44 0.20 115.31 121.03 1xs8 h LEU 65 Ca 0.08 -0.16 0.01 0.00 -0.00 0.00 0.00 57.88 57.82 1xs8 h LEU 65 Cb 0.60 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.15 1xs8 h LEU 65 CO 0.04 0.35 0.59 0.25 -0.00 0.00 0.00 178.44 179.67 1xs8 h LEU 66 N 0.17 1.01 0.18 1.67 5.85 -0.58 0.45 115.31 124.05 1xs8 h LEU 66 Ca 0.07 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xs8 h LEU 66 Cb 0.16 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1xs8 h LEU 66 CO -0.01 0.72 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.65 1xs8 h GLU 67 N 1.19 -0.23 -0.08 1.25 4.81 -0.33 0.21 114.58 121.39 1xs8 h GLU 67 Ca 0.33 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1xs8 h GLU 67 Cb -0.11 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1xs8 h GLU 67 CO -0.08 0.00 -0.05 1.96 -0.73 0.00 0.00 179.01 180.11 1xs8 h GLN 68 N -0.44 -0.05 -0.84 1.92 4.20 -0.43 -0.44 115.11 119.02 1xs8 h GLN 68 Ca -0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1xs8 h GLN 68 Cb 0.34 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1xs8 h GLN 68 CO 0.04 -0.03 0.41 0.93 -0.67 0.00 0.00 178.83 179.51 1xs8 h GLU 69 N -0.05 1.21 -0.20 1.46 4.39 -0.87 -0.62 114.58 119.89 1xs8 h GLU 69 Ca 0.05 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1xs8 h GLU 69 Cb 0.13 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1xs8 h GLU 69 CO -0.12 0.92 0.06 1.98 -1.16 0.00 0.00 179.01 180.69 1xs8 h MET 70 N 1.20 0.31 0.00 2.33 4.05 -0.21 0.26 114.93 122.86 1xs8 h MET 70 Ca 0.29 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1xs8 h MET 70 Cb 0.10 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1xs8 h MET 70 CO -0.04 0.43 0.00 0.28 0.23 0.00 0.00 176.91 177.81 1xs8 n VAL 71 N -4.79 0.69 -0.12 -5.77 0.31 -0.21 -1.89 118.33 106.56 1xs8 n VAL 71 Ca -0.04 0.10 -0.24 0.00 -0.01 0.00 0.00 64.34 64.15 1xs8 n VAL 71 Cb 0.16 -0.89 -0.10 0.00 -0.91 0.00 0.00 33.84 32.10 1xs8 n VAL 71 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xs8 n SER 72 N -1.87 1.90 -0.02 4.52 2.88 -0.26 0.18 113.62 120.95 1xs8 n SER 72 Ca 0.04 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 1xs8 n SER 72 Cb 0.27 -0.90 -0.09 0.00 -0.75 0.00 0.00 64.21 62.73 1xs8 n SER 72 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1xs8 h PHE 73 N -1.00 0.09 0.04 0.66 3.57 -0.52 -2.40 116.94 117.38 1xs8 h PHE 73 Ca -0.48 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 1xs8 h PHE 73 Cb 1.40 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1xs8 h PHE 73 CO 0.00 0.55 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.55 1xs8 h LEU 74 N -0.41 -0.05 0.02 0.59 3.38 -1.57 -3.41 115.31 113.86 1xs8 h LEU 74 Ca 0.00 -0.44 -0.39 0.00 0.09 0.00 0.00 57.88 57.14 1xs8 h LEU 74 Cb 0.54 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1xs8 h LEU 74 CO 0.01 0.64 -2.40 0.33 0.09 0.00 0.00 178.44 177.12 1xs8 n PHE 75 N -4.76 0.22 -3.23 1.13 7.35 -1.25 -3.68 117.46 113.25 1xs8 n PHE 75 Ca -0.05 0.05 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1xs8 n PHE 75 Cb 0.24 -1.03 0.01 0.00 0.35 0.00 0.00 39.48 39.05 1xs8 n PHE 75 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1xs8 n GLU 76 N -3.34 -1.47 -1.53 -4.13 4.07 0.13 -4.91 120.64 109.45 1xs8 n GLU 76 Ca -0.44 1.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 1xs8 n GLU 76 Cb 0.99 -5.21 0.00 0.00 -0.06 0.00 0.00 31.44 27.17 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xs8 n GLY 77 N -1.67 0.98 3.86 8.31 0.00 -0.88 -4.99 105.19 110.80 1xs8 n GLY 77 Ca -0.06 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 1xs8 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xs8 s LYS 78 N -0.34 3.77 -0.13 1.61 0.00 -1.26 -4.98 119.74 118.41 1xs8 s LYS 78 Ca 0.23 0.19 0.19 0.00 0.00 0.00 0.00 55.97 56.58 1xs8 s LYS 78 Cb 0.27 -3.03 -0.27 0.00 0.00 0.00 0.00 37.83 34.80 1xs8 s LYS 78 CO -0.11 0.58 0.22 -3.47 0.00 0.00 0.00 175.35 172.57 1xs8 n ASP 79 N 1.05 0.23 -4.58 0.03 2.03 -1.26 -4.92 116.55 109.13 1xs8 n ASP 79 Ca -0.09 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 1xs8 n ASP 79 Cb 0.52 1.36 -0.03 0.00 -0.72 0.00 0.00 41.12 42.25 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xs8 s VAL 80 N -2.85 3.27 0.16 5.18 1.01 -1.26 -4.92 120.40 120.99 1xs8 s VAL 80 Ca -0.09 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 1xs8 s VAL 80 Cb 0.09 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 1xs8 s VAL 80 CO 0.82 -0.36 1.39 -1.00 0.00 0.00 0.00 175.10 175.95 1xs8 s HIS 81 N 8.56 3.21 -0.81 5.22 3.76 -1.26 -4.96 115.29 129.01 1xs8 s HIS 81 Ca 0.85 1.01 -0.15 0.00 -0.15 0.00 0.00 55.06 56.61 1xs8 s HIS 81 Cb -0.22 -3.70 0.19 0.00 1.11 0.00 0.00 32.58 29.96 1xs8 s HIS 81 CO 0.30 -2.37 0.81 0.42 -0.85 0.00 0.00 174.74 173.05 1xs8 s ILE 82 N 0.70 5.36 -0.09 0.60 1.01 -1.26 -4.67 121.20 122.85 1xs8 s ILE 82 Ca 0.62 -2.12 0.01 0.00 0.00 0.00 0.00 60.65 59.17 1xs8 s ILE 82 Cb -0.38 -4.52 -0.00 0.00 0.01 0.00 0.00 42.46 37.57 1xs8 s ILE 82 CO 0.34 -1.11 0.23 1.21 0.00 0.00 0.00 174.94 175.61 1xs8 n GLU 83 N 4.73 3.79 0.00 2.79 2.13 -1.26 -5.12 120.64 127.71 1xs8 n GLU 83 Ca 0.12 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1xs8 n GLU 83 Cb 0.46 -0.73 0.00 0.00 0.27 0.00 0.00 31.44 31.44 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs8 n GLY 84 N 0.66 -0.09 7.00 8.31 0.00 -1.26 -5.07 105.19 114.75 1xs8 n GLY 84 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.45 -1.16 -3.84 1.61 4.01 -1.26 -4.65 117.16 112.32 1xs8 n TYR 85 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1xs8 n TYR 85 Cb 0.00 0.20 -0.16 0.00 -0.31 0.00 0.00 39.34 39.08 1xs8 n TYR 85 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1xs8 s THR 86 N 0.00 1.11 0.04 -0.72 -1.32 -1.26 -5.12 115.64 108.37 1xs8 s THR 86 Ca 0.00 -1.09 -0.30 0.00 -1.21 0.00 0.00 61.69 59.09 1xs8 s THR 86 Cb 0.00 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1xs8 s THR 86 CO 0.00 -0.26 1.08 -2.16 -2.21 0.00 0.00 174.62 171.06 1xs8 s PRO 87 N 1.57 4.51 0.46 7.08 0.04 -1.26 -5.03 135.00 142.37 1xs8 s PRO 87 Ca -0.01 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.38 1xs8 s PRO 87 Cb -0.18 -3.40 -0.07 0.00 0.04 0.00 0.00 34.50 30.89 1xs8 s PRO 87 CO -0.10 -0.12 1.22 -1.21 0.04 0.00 0.00 177.00 176.82 1xs8 s GLU 88 N 0.94 3.73 0.16 4.56 8.01 -1.26 -4.98 118.70 129.86 1xs8 s GLU 88 Ca 0.55 1.92 -0.31 0.00 0.01 0.00 0.00 54.97 57.14 1xs8 s GLU 88 Cb -0.25 -2.48 -0.08 0.00 -4.31 0.00 0.00 34.13 27.01 1xs8 s GLU 88 CO 0.29 -0.61 1.35 0.16 0.01 0.00 0.00 175.26 176.45 1xs8 s ASP 89 N -1.16 6.86 -0.39 -0.19 -4.77 -1.26 -4.92 116.67 110.84 1xs8 s ASP 89 Ca 0.63 2.37 -0.29 0.00 -3.30 0.00 0.00 52.55 51.96 1xs8 s ASP 89 Cb -0.32 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.91 1xs8 s ASP 89 CO 0.40 -0.59 1.53 -0.75 0.70 0.00 0.00 175.17 176.46 1xs8 s LYS 90 N 0.45 3.49 0.00 2.11 2.36 -1.26 -5.35 119.74 121.54 1xs8 s LYS 90 Ca 0.60 1.07 0.25 0.00 -2.55 0.00 0.00 55.97 55.34 1xs8 s LYS 90 Cb -0.37 -4.08 0.32 0.00 -1.05 0.00 0.00 37.83 32.65 1xs8 s LYS 90 CO 0.35 -1.67 1.33 1.63 1.55 0.00 0.00 175.35 178.54