#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 7.40 -0.94 7.83 0.01 -1.26 -4.97 113.70 121.77 1xs8 s SER 2 Ca 0.00 1.79 -0.23 0.00 1.31 0.00 0.00 55.95 58.82 1xs8 s SER 2 Cb 0.00 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.71 1xs8 s SER 2 CO 0.00 -0.18 1.35 -0.60 0.41 0.00 0.00 173.24 174.21 1xs8 s ARG 3 N 0.43 3.50 0.10 12.44 6.06 -1.26 -4.98 118.95 135.24 1xs8 s ARG 3 Ca 0.50 -1.06 0.04 0.00 -2.50 0.00 0.00 55.73 52.70 1xs8 s ARG 3 Cb -0.23 -5.04 -0.04 0.00 0.06 0.00 0.00 34.95 29.70 1xs8 s ARG 3 CO 0.30 -2.11 0.08 0.95 -2.50 0.00 0.00 175.30 172.02 1xs8 s THR 4 N 4.69 4.48 0.26 4.11 -4.23 -1.26 -0.19 115.64 123.50 1xs8 s THR 4 Ca 0.41 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1xs8 s THR 4 Cb -0.03 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1xs8 s THR 4 CO -0.05 0.07 0.16 0.27 -0.54 0.00 0.00 174.62 174.54 1xs8 s ILE 5 N -1.46 0.12 -0.66 2.99 -5.25 0.92 -4.76 121.20 113.11 1xs8 s ILE 5 Ca 0.29 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.75 1xs8 s ILE 5 Cb -0.12 -2.52 0.10 0.00 2.95 0.00 0.00 42.46 42.87 1xs8 s ILE 5 CO 0.22 0.00 0.86 -0.36 -1.79 0.00 0.00 174.94 173.87 1xs8 s PHE 6 N -3.85 2.89 0.25 1.37 0.08 -1.26 -0.37 117.98 117.08 1xs8 s PHE 6 Ca 0.39 -0.86 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 1xs8 s PHE 6 Cb 0.06 -4.16 -0.09 0.00 -0.57 0.00 0.00 43.02 38.26 1xs8 s PHE 6 CO 0.17 -1.46 1.21 0.00 -0.10 0.00 0.00 175.22 175.03 1xs8 h THR 8 N 3.40 1.22 -0.05 0.00 1.35 -1.61 0.43 112.91 117.64 1xs8 h THR 8 Ca -0.46 -0.71 -0.12 0.00 -0.55 0.00 0.00 66.41 64.57 1xs8 h THR 8 Cb 1.22 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1xs8 h THR 8 CO 0.71 0.23 -0.52 0.22 -0.25 0.00 0.00 175.52 175.91 1xs8 h TYR 9 N 0.26 0.18 0.00 4.73 3.20 -1.78 -3.20 116.97 120.36 1xs8 h TYR 9 Ca 0.08 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 1xs8 h TYR 9 Cb 0.29 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1xs8 h TYR 9 CO 0.01 0.63 -1.85 1.28 -1.64 0.00 0.00 178.16 176.60 1xs8 n LEU 10 N -3.93 0.27 -1.49 2.82 4.77 -1.19 -4.97 117.00 113.28 1xs8 n LEU 10 Ca -0.02 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 1xs8 n LEU 10 Cb 0.55 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1xs8 n LEU 10 CO 0.42 0.12 -0.18 0.00 -1.33 0.00 0.00 177.39 176.42 1xs8 n GLN 11 N -2.54 -1.30 -4.29 3.23 1.13 0.15 -4.95 117.38 108.80 1xs8 n GLN 11 Ca -0.11 1.12 -0.15 0.00 -1.94 0.00 0.00 57.00 55.91 1xs8 n GLN 11 Cb 0.75 -5.42 -0.10 0.00 0.11 0.00 0.00 30.24 25.58 1xs8 n GLN 11 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1xs8 s ARG 12 N -3.73 1.35 -0.57 -1.09 0.52 -1.24 -4.91 118.95 109.29 1xs8 s ARG 12 Ca 0.00 -1.72 -0.28 0.00 -0.52 0.00 0.00 55.73 53.21 1xs8 s ARG 12 Cb 0.00 -0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.35 1xs8 s ARG 12 CO 0.00 -0.31 1.16 0.34 0.02 0.00 0.00 175.30 176.51 1xs8 s ASP 13 N -3.27 6.45 0.38 0.23 2.15 -1.25 -1.53 116.67 119.83 1xs8 s ASP 13 Ca 0.37 0.09 0.06 0.00 0.43 0.00 0.00 52.55 53.50 1xs8 s ASP 13 Cb 0.08 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1xs8 s ASP 13 CO 0.13 -1.43 0.20 0.00 -0.17 0.00 0.00 175.17 173.90 1xs8 s ALA 14 N 4.80 2.50 0.07 3.66 0.00 0.50 -4.86 121.76 128.43 1xs8 s ALA 14 Ca 0.42 -1.56 -0.35 0.00 0.00 0.00 0.00 51.96 50.46 1xs8 s ALA 14 Cb -0.08 1.09 -0.15 0.00 0.00 0.00 0.00 23.12 23.98 1xs8 s ALA 14 CO 0.25 -0.49 1.55 0.39 0.00 0.00 0.00 175.76 177.46 1xs8 n GLU 15 N -0.81 1.74 -1.42 0.00 -0.58 -1.26 -0.05 120.64 118.26 1xs8 n GLU 15 Ca -0.00 0.63 -0.28 0.00 -0.42 0.00 0.00 57.16 57.09 1xs8 n GLU 15 Cb 0.64 -2.36 -0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1xs8 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs8 n GLY 16 N 3.30 4.68 7.00 0.62 0.00 0.74 -3.39 105.19 118.13 1xs8 n GLY 16 Ca 0.19 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1xs8 n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xs8 n GLN 17 N 0.30 0.00 -1.31 1.61 1.13 -1.22 -4.63 117.38 113.27 1xs8 n GLN 17 Ca 0.47 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 1xs8 n GLN 17 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1xs8 n GLN 17 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xs8 n ASP 18 N -3.11 1.31 -3.67 1.08 9.92 -1.26 -4.91 116.55 115.91 1xs8 n ASP 18 Ca 0.00 -0.79 -0.14 0.00 -0.53 0.00 0.00 54.79 53.33 1xs8 n ASP 18 Cb 0.00 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.55 1xs8 n ASP 18 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1xs8 n PHE 19 N -0.27 -2.98 -1.62 1.24 3.01 -1.26 -4.95 117.46 110.62 1xs8 n PHE 19 Ca 0.00 -1.17 -0.29 0.00 1.01 0.00 0.00 57.45 57.01 1xs8 n PHE 19 Cb 0.00 -0.44 -0.04 0.00 -0.01 0.00 0.00 39.48 38.99 1xs8 n PHE 19 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1xs8 s GLN 20 N -4.01 2.00 0.00 -1.08 1.11 -1.26 -4.66 119.66 111.75 1xs8 s GLN 20 Ca 0.41 0.97 0.10 0.00 0.01 0.00 0.00 55.36 56.85 1xs8 s GLN 20 Cb -0.03 -4.66 0.02 0.00 -1.01 0.00 0.00 33.01 27.34 1xs8 s GLN 20 CO 0.27 -3.63 0.69 1.47 0.01 0.00 0.00 175.29 174.11 1xs8 n LEU 21 N 16.48 1.41 0.03 2.90 -0.00 -1.26 -4.93 117.00 131.63 1xs8 n LEU 21 Ca 0.39 -0.84 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 1xs8 n LEU 21 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1xs8 n LEU 21 CO 0.65 0.28 0.00 0.00 -0.00 0.00 0.00 177.39 178.32 1xs8 n TYR 22 N 0.01 -1.66 -3.12 1.47 9.36 -1.26 -5.14 117.16 116.81 1xs8 n TYR 22 Ca 0.05 0.19 -0.35 0.00 3.32 0.00 0.00 57.90 61.10 1xs8 n TYR 22 Cb 0.22 0.69 -0.06 0.00 -0.63 0.00 0.00 39.34 39.56 1xs8 n TYR 22 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1xs8 s PRO 23 N -2.00 4.19 0.00 2.98 0.04 -1.26 -5.05 135.00 133.89 1xs8 s PRO 23 Ca 0.00 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1xs8 s PRO 23 Cb 0.00 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1xs8 s PRO 23 CO 0.00 0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.80 1xs8 n GLY 24 N 0.51 0.08 0.25 0.56 0.00 -1.26 -4.52 105.19 100.81 1xs8 n GLY 24 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.85 -0.36 1.61 4.11 -1.99 -0.90 114.58 117.89 1xs8 h GLU 25 Ca 0.00 -0.51 -0.15 0.00 0.07 0.00 0.00 59.36 58.77 1xs8 h GLU 25 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1xs8 h GLU 25 CO 0.00 1.14 -0.38 1.25 0.07 0.00 0.00 179.01 181.10 1xs8 h LEU 26 N 0.66 0.92 0.39 3.06 5.85 -2.00 -2.40 115.31 121.80 1xs8 h LEU 26 Ca 0.03 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1xs8 h LEU 26 Cb 1.10 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1xs8 h LEU 26 CO 0.11 1.19 -0.22 1.23 -0.34 0.00 0.00 178.44 180.42 1xs8 h GLY 27 N 0.84 -0.59 1.59 3.75 0.00 -1.75 -2.67 103.07 104.25 1xs8 h GLY 27 Ca 0.06 0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 1xs8 h GLY 27 CO 0.09 -0.22 0.04 0.07 0.00 0.00 0.00 176.54 176.52 1xs8 h LYS 28 N -0.57 0.52 -0.85 4.80 2.10 -1.17 0.20 116.57 121.61 1xs8 h LYS 28 Ca -0.05 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1xs8 h LYS 28 Cb 0.46 -0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.66 1xs8 h LYS 28 CO 0.06 0.52 0.48 -0.09 -2.00 0.00 0.00 179.45 178.42 1xs8 h ARG 29 N 0.51 1.17 0.10 0.07 2.43 -1.26 -2.37 114.38 115.02 1xs8 h ARG 29 Ca 0.11 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 1xs8 h ARG 29 Cb 0.26 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1xs8 h ARG 29 CO 0.00 0.84 -0.98 0.82 -1.51 0.00 0.00 179.97 179.15 1xs8 h ILE 30 N 1.18 1.31 -0.70 1.20 2.04 -1.03 -3.37 117.51 118.14 1xs8 h ILE 30 Ca 0.30 -2.42 0.08 0.00 1.00 0.00 0.00 64.86 63.82 1xs8 h ILE 30 Cb 0.00 2.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 1xs8 h ILE 30 CO -0.05 0.66 0.46 1.88 0.00 0.00 0.00 178.15 181.10 1xs8 h TYR 31 N -0.49 0.66 0.00 1.37 -1.99 -0.56 -0.07 116.97 115.89 1xs8 h TYR 31 Ca -0.21 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1xs8 h TYR 31 Cb 1.57 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1xs8 h TYR 31 CO 0.17 0.33 0.00 0.09 -0.00 0.00 0.00 178.16 178.75 1xs8 n ASN 32 N -4.49 0.00 -0.06 3.88 3.02 -0.90 -2.55 115.26 114.16 1xs8 n ASN 32 Ca 0.11 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1xs8 n ASN 32 Cb 0.30 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1xs8 n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xs8 n GLU 33 N -1.19 0.08 -3.90 3.52 1.02 -0.30 -4.32 120.64 115.55 1xs8 n GLU 33 Ca 0.11 -0.59 -0.21 0.00 -0.02 0.00 0.00 57.16 56.44 1xs8 n GLU 33 Cb 0.12 -0.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.03 0.38 0.70 -3.67 -1.09 -0.19 -1.66 121.20 115.63 1xs8 s ILE 34 Ca 0.00 0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 1xs8 s ILE 34 Cb 0.00 -0.50 0.01 0.00 -1.58 0.00 0.00 42.46 40.40 1xs8 s ILE 34 CO 0.00 0.23 1.09 -0.44 -1.23 0.00 0.00 174.94 174.59 1xs8 s SER 35 N 1.55 5.47 0.41 3.58 0.01 -1.22 -3.37 113.70 120.13 1xs8 s SER 35 Ca -0.02 1.18 0.07 0.00 1.31 0.00 0.00 55.95 58.49 1xs8 s SER 35 Cb -0.13 -2.00 0.85 0.00 0.21 0.00 0.00 66.02 64.95 1xs8 s SER 35 CO -0.03 -1.33 2.06 0.11 0.41 0.00 0.00 173.24 174.46 1xs8 h LYS 36 N -0.65 0.56 -0.21 12.44 1.57 -1.92 -1.53 116.57 126.84 1xs8 h LYS 36 Ca -0.45 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1xs8 h LYS 36 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1xs8 h LYS 36 CO 0.63 0.37 0.05 -0.44 -0.57 0.00 0.00 179.45 179.49 1xs8 h ASP 37 N 0.57 0.32 -0.52 0.86 3.32 -1.93 -0.14 116.42 118.91 1xs8 h ASP 37 Ca 0.16 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 1xs8 h ASP 37 Cb -0.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1xs8 h ASP 37 CO -0.03 0.47 -0.13 0.00 -1.72 0.00 0.00 179.24 177.82 1xs8 h ALA 38 N 0.86 0.76 0.05 3.45 0.00 -1.80 -0.43 119.26 122.15 1xs8 h ALA 38 Ca 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xs8 h ALA 38 Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xs8 h ALA 38 CO 0.00 0.67 -0.02 2.35 0.00 0.00 0.00 179.25 182.25 1xs8 h TRP 39 N 0.89 -0.06 -0.58 0.00 2.91 -1.19 -1.41 115.95 116.51 1xs8 h TRP 39 Ca 0.13 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.10 1xs8 h TRP 39 Cb 0.70 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.35 1xs8 h TRP 39 CO 0.05 0.15 0.14 0.00 -1.03 0.00 0.00 178.44 177.74 1xs8 h ALA 40 N 0.68 1.14 -0.02 2.65 0.00 -0.94 -1.62 119.26 121.14 1xs8 h ALA 40 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xs8 h ALA 40 Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xs8 h ALA 40 CO 0.01 0.58 0.00 0.37 0.00 0.00 0.00 179.25 180.21 1xs8 h GLN 41 N 0.87 0.03 -0.40 0.00 -0.00 -0.99 -1.42 115.11 113.19 1xs8 h GLN 41 Ca 0.19 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.72 1xs8 h GLN 41 Cb 0.32 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 1xs8 h GLN 41 CO 0.00 0.31 -0.20 2.35 0.00 0.00 0.00 178.83 181.29 1xs8 h TRP 42 N -0.26 0.88 -0.68 3.99 2.91 -1.12 0.60 115.95 122.27 1xs8 h TRP 42 Ca 0.00 -0.19 -0.06 0.00 1.13 0.00 0.00 58.89 59.77 1xs8 h TRP 42 Cb 0.30 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 28.70 1xs8 h TRP 42 CO 0.02 0.91 0.17 1.96 -1.03 0.00 0.00 178.44 180.48 1xs8 h GLN 43 N 0.69 1.08 -0.50 2.65 4.20 -1.29 0.22 115.11 122.15 1xs8 h GLN 43 Ca 0.10 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1xs8 h GLN 43 Cb 0.70 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1xs8 h GLN 43 CO 0.05 0.95 0.21 1.25 -0.67 0.00 0.00 178.83 180.62 1xs8 h HIS 44 N 1.03 0.76 0.41 2.96 2.76 -0.69 -0.45 115.15 121.92 1xs8 h HIS 44 Ca 0.22 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1xs8 h HIS 44 Cb 0.35 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1xs8 h HIS 44 CO 0.03 0.62 -0.24 -0.22 -1.30 0.00 0.00 177.93 176.82 1xs8 h LYS 45 N 0.67 -0.59 -0.99 5.26 1.63 -0.50 -2.66 116.57 119.39 1xs8 h LYS 45 Ca 0.17 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1xs8 h LYS 45 Cb 0.18 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 1xs8 h LYS 45 CO -0.02 -0.40 0.65 0.37 -3.45 0.00 0.00 179.45 176.61 1xs8 h GLN 46 N -0.62 1.26 -0.79 1.90 5.75 -0.43 -1.15 115.11 121.03 1xs8 h GLN 46 Ca -0.05 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1xs8 h GLN 46 Cb 0.50 -0.28 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 1xs8 h GLN 46 CO 0.06 0.83 0.49 1.15 -2.65 0.00 0.00 178.83 178.71 1xs8 h THR 47 N 1.30 1.06 -0.45 2.39 2.02 -0.98 0.11 112.91 118.36 1xs8 h THR 47 Ca 0.38 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1xs8 h THR 47 Cb -0.08 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1xs8 h THR 47 CO -0.10 0.17 0.17 -0.03 0.37 0.00 0.00 175.52 176.09 1xs8 h MET 48 N 0.92 0.69 -0.72 6.66 1.85 -0.89 -2.63 114.93 120.80 1xs8 h MET 48 Ca 0.33 -0.13 0.04 0.00 -0.61 0.00 0.00 59.70 59.33 1xs8 h MET 48 Cb 0.10 -0.11 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 1xs8 h MET 48 CO -0.15 0.64 0.44 -0.07 -0.40 0.00 0.00 176.91 177.38 1xs8 h LEU 49 N 0.59 0.71 -0.74 3.39 4.07 -0.32 -1.02 115.31 121.99 1xs8 h LEU 49 Ca 0.15 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.14 1xs8 h LEU 49 Cb 0.22 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 1xs8 h LEU 49 CO -0.01 0.48 0.47 0.40 -1.08 0.00 0.00 178.44 178.70 1xs8 h ILE 50 N 0.84 1.13 -0.10 1.22 2.04 -0.54 0.28 117.51 122.40 1xs8 h ILE 50 Ca 0.30 -0.32 -0.18 0.00 1.00 0.00 0.00 64.86 65.66 1xs8 h ILE 50 Cb 0.08 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1xs8 h ILE 50 CO -0.14 0.17 -0.71 0.78 0.00 0.00 0.00 178.15 178.25 1xs8 h ASN 51 N 0.94 0.54 0.21 1.72 2.35 -1.09 -0.37 115.58 119.88 1xs8 h ASN 51 Ca 0.29 -0.34 -0.29 0.00 -0.55 0.00 0.00 56.30 55.40 1xs8 h ASN 51 Cb -0.03 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.21 1xs8 h ASN 51 CO -0.09 1.08 -1.21 -0.33 -1.65 0.00 0.00 177.43 175.23 1xs8 h GLU 52 N 0.32 0.56 0.00 0.81 4.39 -0.86 -3.17 114.58 116.62 1xs8 h GLU 52 Ca -0.03 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1xs8 h GLU 52 Cb 1.29 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1xs8 h GLU 52 CO 0.13 1.33 -0.01 0.87 -1.16 0.00 0.00 179.01 180.17 1xs8 h LYS 53 N 0.25 0.00 -5.63 2.33 1.57 -0.49 -3.48 116.57 111.12 1xs8 h LYS 53 Ca -0.17 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.32 1xs8 h LYS 53 Cb 1.88 0.00 0.17 0.00 0.08 0.00 0.00 32.23 34.36 1xs8 h LYS 53 CO 0.23 0.00 -0.88 1.63 -0.57 0.00 0.00 179.45 179.86 1xs8 n LYS 54 N -2.71 -2.04 -4.95 3.15 5.02 -0.18 -5.01 118.16 111.44 1xs8 n LYS 54 Ca 0.05 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.79 1xs8 n LYS 54 Cb 0.48 -5.44 -0.14 0.00 -0.02 0.00 0.00 35.03 29.92 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 -5.65 2.62 0.07 -0.35 0.05 -1.02 -5.06 118.68 109.34 1xs8 s LEU 55 Ca 0.46 -0.25 0.08 0.00 0.05 0.00 0.00 54.13 54.47 1xs8 s LEU 55 Cb -0.09 -1.52 -0.04 0.00 -2.05 0.00 0.00 46.19 42.50 1xs8 s LEU 55 CO 0.77 0.32 -0.19 0.21 -0.55 0.00 0.00 176.35 176.92 1xs8 s ASN 56 N -0.61 3.80 -1.28 1.48 2.47 -1.26 -4.89 114.94 114.64 1xs8 s ASN 56 Ca 0.09 -0.49 -0.17 0.00 0.42 0.00 0.00 52.86 52.71 1xs8 s ASN 56 Cb -0.11 -0.56 0.00 0.00 -1.45 0.00 0.00 41.25 39.13 1xs8 s ASN 56 CO 0.01 0.22 2.03 0.23 -3.72 0.00 0.00 177.10 175.88 1xs8 n MET 57 N 1.26 2.62 0.00 0.43 2.81 -1.26 -3.87 117.12 119.11 1xs8 n MET 57 Ca -0.16 -2.64 0.00 0.00 -1.81 0.00 0.00 57.70 53.09 1xs8 n MET 57 Cb 0.52 -3.31 0.00 0.00 -0.71 0.00 0.00 33.22 29.72 1xs8 n MET 57 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xs8 n MET 58 N 6.99 2.81 -5.00 0.03 0.00 -1.26 -5.04 117.12 115.66 1xs8 n MET 58 Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.88 1xs8 n MET 58 Cb 0.42 -0.75 -0.16 0.00 0.00 0.00 0.00 33.22 32.72 1xs8 n MET 58 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1xs8 s ASN 59 N -1.19 3.34 0.65 3.17 3.84 -1.25 -5.00 114.94 118.49 1xs8 s ASN 59 Ca 0.00 -0.51 0.43 0.00 0.21 0.00 0.00 52.86 52.99 1xs8 s ASN 59 Cb 0.00 -1.47 2.25 0.00 -0.55 0.00 0.00 41.25 41.48 1xs8 s ASN 59 CO 0.00 0.14 2.31 0.00 -2.79 0.00 0.00 177.10 176.76 1xs8 h ALA 60 N 6.83 1.01 -1.01 1.71 0.00 -1.96 -2.31 119.26 123.54 1xs8 h ALA 60 Ca -0.23 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1xs8 h ALA 60 Cb 1.22 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1xs8 h ALA 60 CO 0.51 0.00 0.64 0.93 0.00 0.00 0.00 179.25 181.33 1xs8 h GLU 61 N 0.00 1.01 0.00 0.00 4.39 -1.98 0.30 114.58 118.30 1xs8 h GLU 61 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1xs8 h GLU 61 Cb 0.09 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1xs8 h GLU 61 CO 0.00 0.67 -0.68 0.45 -1.16 0.00 0.00 179.01 178.29 1xs8 h HIS 62 N 1.04 0.00 -0.12 4.33 3.86 -1.77 -2.74 115.15 119.75 1xs8 h HIS 62 Ca 0.48 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.53 1xs8 h HIS 62 Cb 0.42 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.89 1xs8 h HIS 62 CO -0.00 0.02 -0.56 -0.09 0.86 0.00 0.00 177.93 178.16 1xs8 h ARG 63 N 0.00 0.59 -0.63 2.45 9.65 -1.29 -2.25 114.38 122.89 1xs8 h ARG 63 Ca -0.00 -0.48 -0.09 0.00 -1.10 0.00 0.00 59.98 58.31 1xs8 h ARG 63 Cb 1.02 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 1xs8 h ARG 63 CO 0.00 1.10 0.03 1.57 2.80 0.00 0.00 179.97 185.47 1xs8 h LYS 64 N 0.22 1.09 -0.06 0.20 2.10 -0.48 -0.91 116.57 118.72 1xs8 h LYS 64 Ca -0.04 -0.33 -0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1xs8 h LYS 64 Cb 1.21 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1xs8 h LYS 64 CO 0.12 1.05 0.04 -0.07 -2.00 0.00 0.00 179.45 178.58 1xs8 h LEU 65 N 1.00 0.08 -0.67 7.07 -0.00 -1.53 0.12 115.31 121.37 1xs8 h LEU 65 Ca 0.18 -0.03 0.07 0.00 -0.00 0.00 0.00 57.88 58.10 1xs8 h LEU 65 Cb 0.53 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.11 1xs8 h LEU 65 CO 0.03 0.08 0.36 0.25 -0.00 0.00 0.00 178.44 179.16 1xs8 h LEU 66 N 0.06 0.52 -0.25 1.67 6.46 -1.23 -1.17 115.31 121.37 1xs8 h LEU 66 Ca 0.02 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1xs8 h LEU 66 Cb 0.02 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1xs8 h LEU 66 CO -0.00 0.33 0.08 -0.08 -0.62 0.00 0.00 178.44 178.15 1xs8 h GLU 67 N 0.66 0.39 -0.04 1.25 4.81 -0.77 0.63 114.58 121.51 1xs8 h GLU 67 Ca 0.31 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1xs8 h GLU 67 Cb 0.23 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1xs8 h GLU 67 CO -0.20 0.46 -0.14 1.96 -0.73 0.00 0.00 179.01 180.36 1xs8 h GLN 68 N 0.25 -0.21 -0.43 1.92 4.20 -0.30 0.19 115.11 120.73 1xs8 h GLN 68 Ca 0.08 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 1xs8 h GLN 68 Cb 0.23 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1xs8 h GLN 68 CO -0.00 -0.14 -0.22 0.93 -0.67 0.00 0.00 178.83 178.73 1xs8 h GLU 69 N -0.21 0.91 0.11 1.46 5.08 -1.16 -1.68 114.58 119.09 1xs8 h GLU 69 Ca 0.06 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1xs8 h GLU 69 Cb 0.30 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1xs8 h GLU 69 CO -0.16 1.06 -0.05 1.98 -1.00 0.00 0.00 179.01 180.83 1xs8 h MET 70 N 0.74 -0.14 -0.36 2.33 4.05 -0.65 -1.45 114.93 119.45 1xs8 h MET 70 Ca 0.09 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1xs8 h MET 70 Cb 0.79 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.61 1xs8 h MET 70 CO 0.07 -0.01 -0.00 0.28 0.23 0.00 0.00 176.91 177.47 1xs8 h VAL 71 N -0.24 1.21 -0.32 -5.77 2.07 -0.97 -0.33 116.25 111.89 1xs8 h VAL 71 Ca -0.01 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1xs8 h VAL 71 Cb 0.19 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xs8 h VAL 71 CO 0.02 0.28 -0.27 -1.28 0.02 0.00 0.00 177.57 176.35 1xs8 h SER 72 N 0.53 0.66 0.00 0.57 0.87 -1.01 0.30 113.55 115.47 1xs8 h SER 72 Ca 0.11 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 1xs8 h SER 72 Cb 0.35 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1xs8 h SER 72 CO 0.01 0.90 -0.36 0.15 -0.53 0.00 0.00 176.83 177.00 1xs8 h PHE 73 N 0.56 0.00 0.21 2.24 3.57 -0.96 -3.06 116.94 119.50 1xs8 h PHE 73 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1xs8 h PHE 73 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1xs8 h PHE 73 CO 0.03 0.39 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.33 1xs8 h LEU 74 N -1.00 -0.23 0.11 0.59 3.38 -1.18 -3.35 115.31 113.63 1xs8 h LEU 74 Ca -0.05 -0.29 -0.23 0.00 0.09 0.00 0.00 57.88 57.39 1xs8 h LEU 74 Cb 0.53 0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.36 1xs8 h LEU 74 CO -0.03 0.27 -0.97 0.15 0.09 0.00 0.00 178.44 177.95 1xs8 h PHE 75 N -0.85 0.75 -4.84 1.13 3.57 -1.50 -3.41 116.94 111.79 1xs8 h PHE 75 Ca -0.03 -0.49 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1xs8 h PHE 75 Cb 0.51 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1xs8 h PHE 75 CO 0.07 1.35 -1.01 -1.91 -2.23 0.00 0.00 178.31 174.58 1xs8 n GLU 76 N -4.00 -3.34 0.00 1.11 4.07 1.00 -4.89 120.64 114.59 1xs8 n GLU 76 Ca -0.13 2.68 0.00 0.00 -0.06 0.00 0.00 57.16 59.64 1xs8 n GLU 76 Cb 0.87 -4.81 0.00 0.00 -0.06 0.00 0.00 31.44 27.44 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 0.83 -0.05 3.86 8.31 0.00 -1.26 -5.03 105.19 111.85 1xs8 n GLY 77 Ca -0.09 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 3.85 0.00 1.61 0.00 -1.26 -4.98 119.74 118.96 1xs8 s LYS 78 Ca 0.00 0.30 0.23 0.00 0.00 0.00 0.00 55.97 56.50 1xs8 s LYS 78 Cb 0.00 -2.92 0.17 0.00 0.00 0.00 0.00 37.83 35.08 1xs8 s LYS 78 CO 0.00 0.49 1.18 -0.25 0.00 0.00 0.00 175.35 176.77 1xs8 n ASP 79 N 0.68 0.94 -4.67 0.03 9.92 -1.26 -4.90 116.55 117.29 1xs8 n ASP 79 Ca -0.05 -0.77 -0.43 0.00 -0.53 0.00 0.00 54.79 53.00 1xs8 n ASP 79 Cb 0.52 0.58 -0.02 0.00 -0.64 0.00 0.00 41.12 41.56 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xs8 s VAL 80 N -2.89 4.63 0.04 2.53 1.01 -1.26 -5.00 120.40 119.46 1xs8 s VAL 80 Ca 0.12 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 1xs8 s VAL 80 Cb 0.17 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1xs8 s VAL 80 CO 0.74 -0.10 1.14 -1.00 0.00 0.00 0.00 175.10 175.88 1xs8 s HIS 81 N 2.79 3.48 -0.86 5.22 3.76 -1.26 -4.99 115.29 123.44 1xs8 s HIS 81 Ca 0.48 1.40 -0.08 0.00 -0.15 0.00 0.00 55.06 56.70 1xs8 s HIS 81 Cb -0.18 -3.34 0.22 0.00 1.11 0.00 0.00 32.58 30.39 1xs8 s HIS 81 CO 0.12 -0.96 0.78 0.42 -0.85 0.00 0.00 174.74 174.25 1xs8 s ILE 82 N 1.09 5.10 -0.22 0.60 1.01 -1.26 -4.62 121.20 122.90 1xs8 s ILE 82 Ca 0.57 -3.03 0.07 0.00 0.00 0.00 0.00 60.65 58.26 1xs8 s ILE 82 Cb -0.27 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 1xs8 s ILE 82 CO 0.29 -1.04 0.25 -0.62 0.00 0.00 0.00 174.94 173.82 1xs8 n GLU 83 N 3.30 3.04 0.00 2.79 4.71 -1.26 -5.12 120.64 128.10 1xs8 n GLU 83 Ca 0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1xs8 n GLU 83 Cb 0.42 -0.96 0.00 0.00 -1.01 0.00 0.00 31.44 29.89 1xs8 n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xs8 n GLY 84 N 1.50 0.25 5.99 0.62 0.00 -1.26 -5.06 105.19 107.23 1xs8 n GLY 84 Ca 0.00 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.81 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 4.81 -2.31 -3.94 1.61 4.01 -1.26 -4.51 117.16 115.57 1xs8 n TYR 85 Ca 0.00 0.33 -0.31 0.00 -0.16 0.00 0.00 57.90 57.77 1xs8 n TYR 85 Cb 0.00 -0.37 -0.14 0.00 -0.31 0.00 0.00 39.34 38.52 1xs8 n TYR 85 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1xs8 s THR 86 N -0.41 2.63 -0.11 -0.72 -4.23 -1.26 -4.98 115.64 106.56 1xs8 s THR 86 Ca 0.00 -3.07 -0.04 0.00 -1.18 0.00 0.00 61.69 57.41 1xs8 s THR 86 Cb 0.00 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1xs8 s THR 86 CO 0.00 -0.76 -0.03 -0.65 -0.54 0.00 0.00 174.62 172.63 1xs8 h PRO 87 N 6.80 0.00 -2.31 3.99 0.11 -2.03 -3.49 132.00 135.07 1xs8 h PRO 87 Ca -0.07 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1xs8 h PRO 87 Cb 0.93 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.81 1xs8 h PRO 87 CO 0.66 0.03 -0.02 -2.00 -0.21 0.00 0.00 178.00 176.45 1xs8 s GLU 88 N -1.78 0.69 -0.01 1.05 2.56 -1.26 -5.04 118.70 114.92 1xs8 s GLU 88 Ca -0.05 0.81 0.20 0.00 0.00 0.00 0.00 54.97 55.93 1xs8 s GLU 88 Cb 0.01 0.34 -0.25 0.00 2.00 0.00 0.00 34.13 36.22 1xs8 s GLU 88 CO 0.09 -0.08 0.72 -0.40 -0.56 0.00 0.00 175.26 175.02 1xs8 n ASP 89 N 2.74 0.73 -4.51 -1.70 5.75 -1.26 -4.86 116.55 113.44 1xs8 n ASP 89 Ca -0.14 -0.65 -0.41 0.00 -0.01 0.00 0.00 54.79 53.58 1xs8 n ASP 89 Cb 0.56 1.31 -0.10 0.00 -1.03 0.00 0.00 41.12 41.86 1xs8 n ASP 89 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1xs8 s LYS 90 N -3.07 3.32 0.00 0.11 2.47 -1.26 -5.32 119.74 116.00 1xs8 s LYS 90 Ca 0.03 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 53.69 1xs8 s LYS 90 Cb 0.14 -3.87 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1xs8 s LYS 90 CO 0.83 -0.56 0.27 0.36 0.16 0.00 0.00 175.35 176.41