#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 5.55 -0.34 7.83 0.01 -1.26 -5.04 113.70 120.45 1xs8 s SER 2 Ca 0.00 2.11 -0.00 0.00 1.31 0.00 0.00 55.95 59.36 1xs8 s SER 2 Cb 0.00 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.77 1xs8 s SER 2 CO 0.00 -1.33 0.14 -0.60 0.41 0.00 0.00 173.24 171.86 1xs8 s ARG 3 N -3.55 0.76 -0.48 12.44 6.06 -1.26 -5.03 118.95 127.88 1xs8 s ARG 3 Ca 0.71 -1.24 -0.28 0.00 -2.50 0.00 0.00 55.73 52.42 1xs8 s ARG 3 Cb -0.22 -1.90 0.03 0.00 0.06 0.00 0.00 34.95 32.91 1xs8 s ARG 3 CO 0.31 -1.05 1.09 0.99 -2.50 0.00 0.00 175.30 174.14 1xs8 s THR 4 N 1.35 4.27 0.24 4.11 2.01 -1.26 -0.57 115.64 125.78 1xs8 s THR 4 Ca 0.12 1.10 0.07 0.00 0.31 0.00 0.00 61.69 63.29 1xs8 s THR 4 Cb -0.19 -4.57 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 1xs8 s THR 4 CO -0.18 -0.97 -0.11 0.27 -0.69 0.00 0.00 174.62 172.93 1xs8 s ILE 5 N 4.29 1.70 -0.38 1.82 -5.25 0.45 -4.92 121.20 118.91 1xs8 s ILE 5 Ca 0.45 -2.18 -0.18 0.00 -0.99 0.00 0.00 60.65 57.75 1xs8 s ILE 5 Cb -0.08 -2.22 0.01 0.00 2.95 0.00 0.00 42.46 43.12 1xs8 s ILE 5 CO 0.31 -0.47 0.52 -0.36 -1.79 0.00 0.00 174.94 173.15 1xs8 s PHE 6 N -2.99 3.16 0.18 1.37 0.08 -1.26 0.17 117.98 118.69 1xs8 s PHE 6 Ca 0.26 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.04 1xs8 s PHE 6 Cb 0.01 -2.99 -0.08 0.00 -0.57 0.00 0.00 43.02 39.40 1xs8 s PHE 6 CO 0.09 -0.62 0.99 0.00 -0.10 0.00 0.00 175.22 175.58 1xs8 h THR 8 N 3.58 0.32 -0.07 0.00 1.35 -1.36 0.31 112.91 117.04 1xs8 h THR 8 Ca -0.44 -0.01 -0.18 0.00 -0.55 0.00 0.00 66.41 65.23 1xs8 h THR 8 Cb 1.21 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1xs8 h THR 8 CO 0.70 0.00 -0.73 0.22 -0.25 0.00 0.00 175.52 175.46 1xs8 h TYR 9 N -0.94 0.49 0.00 4.73 3.20 -1.81 -3.08 116.97 119.57 1xs8 h TYR 9 Ca -0.10 -0.22 -0.15 0.00 3.14 0.00 0.00 58.73 61.41 1xs8 h TYR 9 Cb 0.72 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1xs8 h TYR 9 CO -0.02 0.97 -0.71 -0.07 -1.64 0.00 0.00 178.16 176.68 1xs8 h LEU 10 N 0.25 0.00 0.78 2.82 3.38 -1.91 -3.47 115.31 117.15 1xs8 h LEU 10 Ca -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.61 1xs8 h LEU 10 Cb 1.30 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.92 1xs8 h LEU 10 CO 0.12 0.69 -0.30 0.00 0.09 0.00 0.00 178.44 179.04 1xs8 n GLN 11 N -3.26 -1.19 -4.36 1.13 1.13 0.11 -4.95 117.38 105.98 1xs8 n GLN 11 Ca 0.01 1.07 -0.22 0.00 -1.94 0.00 0.00 57.00 55.92 1xs8 n GLN 11 Cb 0.82 -5.29 -0.08 0.00 0.11 0.00 0.00 30.24 25.80 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 -3.37 1.85 0.25 -1.09 0.52 -1.24 -4.91 118.95 110.96 1xs8 s ARG 12 Ca 0.00 -2.10 -0.30 0.00 -0.52 0.00 0.00 55.73 52.81 1xs8 s ARG 12 Cb 0.00 0.06 -0.09 0.00 0.52 0.00 0.00 34.95 35.44 1xs8 s ARG 12 CO 0.00 -0.63 0.96 0.16 0.02 0.00 0.00 175.30 175.81 1xs8 s ASP 13 N -3.46 7.60 0.38 0.23 -4.77 -1.26 -0.68 116.67 114.70 1xs8 s ASP 13 Ca 0.35 1.99 -0.12 0.00 -3.30 0.00 0.00 52.55 51.47 1xs8 s ASP 13 Cb 0.02 -2.61 0.04 0.00 -1.09 0.00 0.00 42.92 39.28 1xs8 s ASP 13 CO 0.24 0.12 0.70 0.00 0.70 0.00 0.00 175.17 176.94 1xs8 s ALA 14 N -1.18 -0.29 0.09 2.11 0.00 0.13 -4.89 121.76 117.73 1xs8 s ALA 14 Ca 0.41 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1xs8 s ALA 14 Cb -0.27 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 1xs8 s ALA 14 CO 0.33 -0.93 0.90 -2.00 0.00 0.00 0.00 175.76 174.07 1xs8 s GLU 15 N -2.47 4.64 -1.34 0.00 2.12 -1.25 -0.41 118.70 119.98 1xs8 s GLU 15 Ca 0.20 1.34 -0.11 0.00 0.36 0.00 0.00 54.97 56.76 1xs8 s GLU 15 Cb -0.04 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.92 1xs8 s GLU 15 CO 0.14 0.24 2.51 0.41 -0.54 0.00 0.00 175.26 178.02 1xs8 n GLY 16 N 2.28 3.86 7.00 -1.50 0.00 0.26 -4.05 105.19 113.04 1xs8 n GLY 16 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 4.62 0.00 -0.94 1.61 6.02 -1.22 -4.72 117.38 122.75 1xs8 n GLN 17 Ca 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 1xs8 n GLN 17 Cb 0.26 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.52 1xs8 n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xs8 n ASP 18 N 6.61 0.00 -4.96 1.08 -0.08 -1.26 -4.84 116.55 113.10 1xs8 n ASP 18 Ca 0.00 -0.60 -0.22 0.00 -1.51 0.00 0.00 54.79 52.45 1xs8 n ASP 18 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 1xs8 n ASP 18 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1xs8 s PHE 19 N -3.79 2.98 -0.67 -0.67 -0.12 -1.26 -5.01 117.98 109.44 1xs8 s PHE 19 Ca 0.00 0.14 -0.27 0.00 -0.05 0.00 0.00 56.93 56.75 1xs8 s PHE 19 Cb 0.00 -2.69 0.01 0.00 -0.63 0.00 0.00 43.02 39.71 1xs8 s PHE 19 CO 0.00 -0.80 1.46 -0.65 -0.05 0.00 0.00 175.22 175.18 1xs8 s GLN 20 N -4.78 3.06 0.05 1.99 -1.52 -1.26 -4.82 119.66 112.39 1xs8 s GLN 20 Ca 0.55 0.13 0.24 0.00 -1.95 0.00 0.00 55.36 54.33 1xs8 s GLN 20 Cb -0.10 -4.22 0.38 0.00 -0.22 0.00 0.00 33.01 28.85 1xs8 s GLN 20 CO 0.39 -2.26 1.33 1.47 -0.25 0.00 0.00 175.29 175.97 1xs8 n LEU 21 N 10.31 0.59 0.13 2.90 -0.00 -1.26 -4.84 117.00 124.83 1xs8 n LEU 21 Ca 0.10 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1xs8 n LEU 21 Cb 0.50 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1xs8 n LEU 21 CO 0.71 0.05 0.00 0.00 -0.00 0.00 0.00 177.39 178.15 1xs8 n TYR 22 N -1.78 -3.69 -1.44 1.47 9.36 -1.26 -5.17 117.16 114.66 1xs8 n TYR 22 Ca 0.04 0.89 -0.30 0.00 3.32 0.00 0.00 57.90 61.86 1xs8 n TYR 22 Cb 0.39 2.44 0.20 0.00 -0.63 0.00 0.00 39.34 41.74 1xs8 n TYR 22 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1xs8 s PRO 23 N -2.00 -0.17 0.00 2.98 0.02 -1.26 -5.09 135.00 129.48 1xs8 s PRO 23 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 61.00 60.92 1xs8 s PRO 23 Cb 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1xs8 s PRO 23 CO 0.00 -3.01 0.00 0.41 -0.33 0.00 0.00 177.00 174.07 1xs8 n GLY 24 N -2.08 1.32 0.35 0.52 0.00 -1.26 -4.77 105.19 99.27 1xs8 n GLY 24 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 1.19 -0.45 1.61 -0.00 -1.99 -1.18 114.58 113.76 1xs8 h GLU 25 Ca 0.00 -0.17 -0.13 0.00 -0.00 0.00 0.00 59.36 59.06 1xs8 h GLU 25 Cb 0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 28.75 28.52 1xs8 h GLU 25 CO 0.00 0.90 -0.23 1.25 -0.00 0.00 0.00 179.01 180.93 1xs8 h LEU 26 N 1.18 0.99 0.56 3.06 5.85 -1.99 -0.98 115.31 123.97 1xs8 h LEU 26 Ca 0.29 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1xs8 h LEU 26 Cb 0.10 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.86 1xs8 h LEU 26 CO -0.04 1.18 -0.27 1.23 -0.34 0.00 0.00 178.44 180.20 1xs8 h GLY 27 N 0.80 -0.78 1.40 3.75 0.00 -1.74 -2.60 103.07 103.90 1xs8 h GLY 27 Ca 0.10 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1xs8 h GLY 27 CO 0.07 -0.28 0.28 0.50 0.00 0.00 0.00 176.54 177.11 1xs8 h LYS 28 N -0.76 0.79 -0.74 4.80 1.57 -1.21 0.19 116.57 121.20 1xs8 h LYS 28 Ca -0.08 -0.09 0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1xs8 h LYS 28 Cb 0.58 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1xs8 h LYS 28 CO 0.13 0.60 0.38 -0.09 -0.57 0.00 0.00 179.45 179.89 1xs8 h ARG 29 N 0.79 0.61 0.08 3.15 2.43 -1.00 -1.73 114.38 118.71 1xs8 h ARG 29 Ca 0.20 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1xs8 h ARG 29 Cb 0.07 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1xs8 h ARG 29 CO -0.03 0.40 -0.66 0.82 -1.51 0.00 0.00 179.97 179.00 1xs8 h ILE 30 N 0.63 1.51 0.00 1.20 2.04 -0.96 -3.35 117.51 118.57 1xs8 h ILE 30 Ca 0.37 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1xs8 h ILE 30 Cb 0.40 3.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 1xs8 h ILE 30 CO -0.28 0.66 0.00 -1.22 0.00 0.00 0.00 178.15 177.31 1xs8 n TYR 31 N -4.27 0.74 0.85 1.37 4.02 0.59 0.21 117.16 120.66 1xs8 n TYR 31 Ca -0.15 0.33 0.09 0.00 -0.01 0.00 0.00 57.90 58.16 1xs8 n TYR 31 Cb 0.71 -1.03 -0.11 0.00 -0.02 0.00 0.00 39.34 38.89 1xs8 n TYR 31 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1xs8 n ASN 32 N -2.21 0.87 0.00 7.72 0.23 -0.67 -3.70 115.26 117.50 1xs8 n ASN 32 Ca 0.00 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 1xs8 n ASN 32 Cb 0.13 1.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.87 1xs8 n ASN 32 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1xs8 n GLU 33 N -1.47 2.00 -5.17 -3.83 1.02 -0.64 -4.65 120.64 107.90 1xs8 n GLU 33 Ca 0.03 -0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 56.69 1xs8 n GLU 33 Cb 0.30 -0.61 -0.16 0.00 -0.02 0.00 0.00 31.44 30.95 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 1.89 0.42 -3.67 -1.09 0.13 -1.06 121.20 117.48 1xs8 s ILE 34 Ca 0.00 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1xs8 s ILE 34 Cb 0.00 -1.59 -0.00 0.00 -1.58 0.00 0.00 42.46 39.28 1xs8 s ILE 34 CO 0.00 0.53 0.62 -0.55 -1.23 0.00 0.00 174.94 174.31 1xs8 s SER 35 N -0.25 5.87 0.42 3.58 0.15 -1.26 -3.43 113.70 118.78 1xs8 s SER 35 Ca 0.00 0.17 0.12 0.00 0.70 0.00 0.00 55.95 56.94 1xs8 s SER 35 Cb -0.12 -1.46 0.99 0.00 -1.71 0.00 0.00 66.02 63.72 1xs8 s SER 35 CO 0.02 -0.63 1.98 0.11 1.20 0.00 0.00 173.24 175.92 1xs8 h LYS 36 N 0.53 0.44 0.51 5.44 1.57 -1.89 0.66 116.57 123.83 1xs8 h LYS 36 Ca -0.46 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1xs8 h LYS 36 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1xs8 h LYS 36 CO 0.56 0.29 -0.24 0.22 -0.57 0.00 0.00 179.45 179.71 1xs8 h ASP 37 N 0.46 -0.58 -0.66 0.86 3.58 -1.94 0.35 116.42 118.49 1xs8 h ASP 37 Ca 0.27 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 1xs8 h ASP 37 Cb 0.46 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1xs8 h ASP 37 CO -0.08 -0.32 0.17 0.00 -2.88 0.00 0.00 179.24 176.14 1xs8 h ALA 38 N -0.40 1.02 0.12 -0.78 0.00 -1.87 -1.41 119.26 115.94 1xs8 h ALA 38 Ca -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1xs8 h ALA 38 Cb 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xs8 h ALA 38 CO 0.11 0.64 -0.06 2.35 0.00 0.00 0.00 179.25 182.30 1xs8 h TRP 39 N 1.02 -0.16 -0.46 0.00 2.91 -0.78 -0.62 115.95 117.88 1xs8 h TRP 39 Ca 0.22 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.16 1xs8 h TRP 39 Cb 0.35 0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 1xs8 h TRP 39 CO 0.03 -0.01 0.00 0.00 -1.03 0.00 0.00 178.44 177.43 1xs8 h ALA 40 N 0.60 1.15 -0.06 2.65 0.00 -0.19 0.13 119.26 123.54 1xs8 h ALA 40 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xs8 h ALA 40 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xs8 h ALA 40 CO 0.03 0.55 0.00 1.96 0.00 0.00 0.00 179.25 181.79 1xs8 h GLN 41 N 0.70 0.10 -0.22 0.00 4.20 -1.13 -1.96 115.11 116.80 1xs8 h GLN 41 Ca 0.14 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 1xs8 h GLN 41 Cb 0.43 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1xs8 h GLN 41 CO 0.02 0.35 -0.52 2.35 -0.67 0.00 0.00 178.83 180.36 1xs8 h TRP 42 N -0.17 0.77 -0.29 2.96 2.91 -0.90 0.63 115.95 121.86 1xs8 h TRP 42 Ca 0.02 -0.26 0.05 0.00 1.13 0.00 0.00 58.89 59.82 1xs8 h TRP 42 Cb 0.30 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.76 1xs8 h TRP 42 CO 0.02 1.01 0.01 1.96 -1.03 0.00 0.00 178.44 180.41 1xs8 h GLN 43 N 0.48 0.10 -0.19 2.65 4.20 -0.75 0.30 115.11 121.89 1xs8 h GLN 43 Ca 0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1xs8 h GLN 43 Cb 1.07 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 1xs8 h GLN 43 CO 0.10 0.06 -0.11 1.25 -0.67 0.00 0.00 178.83 179.47 1xs8 h HIS 44 N 0.10 0.48 -0.43 2.96 2.76 -1.13 -1.54 115.15 118.35 1xs8 h HIS 44 Ca 0.14 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1xs8 h HIS 44 Cb 0.18 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1xs8 h HIS 44 CO -0.21 0.72 0.02 -0.22 -1.30 0.00 0.00 177.93 176.95 1xs8 h LYS 45 N 0.10 0.74 -0.11 5.26 1.63 -0.74 -2.52 116.57 120.93 1xs8 h LYS 45 Ca 0.04 -0.22 -0.08 0.00 -0.85 0.00 0.00 60.65 59.54 1xs8 h LYS 45 Cb 0.61 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1xs8 h LYS 45 CO 0.03 0.80 -0.27 0.37 -3.45 0.00 0.00 179.45 176.93 1xs8 h GLN 46 N 0.58 0.21 -0.87 1.90 5.75 -0.39 -1.41 115.11 120.87 1xs8 h GLN 46 Ca 0.12 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1xs8 h GLN 46 Cb 0.45 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 1xs8 h GLN 46 CO 0.02 0.47 0.48 1.15 -2.65 0.00 0.00 178.83 178.30 1xs8 h THR 47 N 0.19 1.25 0.06 2.39 2.02 -0.98 0.34 112.91 118.17 1xs8 h THR 47 Ca 0.03 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1xs8 h THR 47 Cb 0.58 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1xs8 h THR 47 CO 0.04 0.28 -0.13 -0.03 0.37 0.00 0.00 175.52 176.05 1xs8 h MET 48 N 1.21 -0.24 -0.97 6.66 1.85 -0.92 -2.41 114.93 120.11 1xs8 h MET 48 Ca 0.31 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.45 1xs8 h MET 48 Cb 0.02 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.04 1xs8 h MET 48 CO -0.05 -0.16 0.64 -0.07 -0.40 0.00 0.00 176.91 176.87 1xs8 h LEU 49 N -0.25 1.06 -0.23 3.39 4.07 -0.60 0.13 115.31 122.88 1xs8 h LEU 49 Ca 0.03 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.01 1xs8 h LEU 49 Cb 0.28 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 1xs8 h LEU 49 CO -0.09 0.73 0.00 0.40 -1.08 0.00 0.00 178.44 178.40 1xs8 h ILE 50 N 1.23 0.84 -0.06 1.22 2.04 -0.10 0.24 117.51 122.91 1xs8 h ILE 50 Ca 0.39 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.19 1xs8 h ILE 50 Cb 0.00 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1xs8 h ILE 50 CO -0.12 0.01 -0.08 0.78 0.00 0.00 0.00 178.15 178.75 1xs8 h ASN 51 N 0.08 0.18 -0.42 1.72 2.35 -0.91 0.33 115.58 118.90 1xs8 h ASN 51 Ca 0.11 -0.51 -0.08 0.00 -0.55 0.00 0.00 56.30 55.28 1xs8 h ASN 51 Cb 0.13 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1xs8 h ASN 51 CO -0.18 0.65 0.00 -0.33 -1.65 0.00 0.00 177.43 175.92 1xs8 h GLU 52 N -0.29 0.82 -0.39 0.81 4.39 -0.64 -2.12 114.58 117.15 1xs8 h GLU 52 Ca 0.01 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1xs8 h GLU 52 Cb 0.60 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1xs8 h GLU 52 CO 0.02 0.83 0.00 1.63 -1.16 0.00 0.00 179.01 180.32 1xs8 n LYS 53 N -4.21 2.14 -3.51 2.33 5.02 0.82 -4.94 118.16 115.81 1xs8 n LYS 53 Ca 0.03 -1.75 -0.24 0.00 -2.02 0.00 0.00 58.31 54.33 1xs8 n LYS 53 Cb 0.31 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.93 -7.39 -2.75 1.97 4.76 -0.71 -4.90 118.16 110.07 1xs8 n LYS 54 Ca 0.17 0.84 -0.43 0.00 -2.87 0.00 0.00 58.31 56.02 1xs8 n LYS 54 Cb 0.44 -5.86 -0.02 0.00 -1.84 0.00 0.00 35.03 27.75 1xs8 n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs8 s LEU 55 N -7.21 4.33 -0.28 -0.35 1.43 0.11 -4.97 118.68 111.73 1xs8 s LEU 55 Ca 0.54 -1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 51.47 1xs8 s LEU 55 Cb -0.24 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1xs8 s LEU 55 CO 0.67 -1.24 1.25 0.54 0.23 0.00 0.00 176.35 177.81 1xs8 s ASN 56 N 4.18 6.77 -0.01 2.29 4.22 -1.26 -4.83 114.94 126.30 1xs8 s ASN 56 Ca 0.40 1.26 0.01 0.00 -2.14 0.00 0.00 52.86 52.39 1xs8 s ASN 56 Cb -0.02 -2.54 0.05 0.00 1.28 0.00 0.00 41.25 40.02 1xs8 s ASN 56 CO -0.08 -0.99 0.79 0.23 -2.04 0.00 0.00 177.10 175.01 1xs8 n MET 57 N 7.11 1.21 0.00 3.55 2.81 -1.26 -2.67 117.12 127.87 1xs8 n MET 57 Ca 0.14 -0.21 0.13 0.00 -1.81 0.00 0.00 57.70 55.96 1xs8 n MET 57 Cb 0.46 -1.33 0.48 0.00 -0.71 0.00 0.00 33.22 32.13 1xs8 n MET 57 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1xs8 n MET 58 N -0.13 0.48 -4.67 0.03 2.81 -1.26 -4.77 117.12 109.61 1xs8 n MET 58 Ca 0.02 -0.21 -0.34 0.00 -1.81 0.00 0.00 57.70 55.36 1xs8 n MET 58 Cb 0.20 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.09 1xs8 n MET 58 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1xs8 s ASN 59 N -2.66 4.51 0.56 7.83 0.01 -1.09 -5.00 114.94 119.09 1xs8 s ASN 59 Ca 0.22 -0.08 0.30 0.00 -0.71 0.00 0.00 52.86 52.59 1xs8 s ASN 59 Cb 0.19 -1.18 1.67 0.00 0.41 0.00 0.00 41.25 42.34 1xs8 s ASN 59 CO 0.54 0.33 2.16 0.00 -1.51 0.00 0.00 177.10 178.62 1xs8 h ALA 60 N 5.46 1.31 0.20 0.60 0.00 -1.90 -2.26 119.26 122.68 1xs8 h ALA 60 Ca -0.46 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1xs8 h ALA 60 Cb 1.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1xs8 h ALA 60 CO 0.53 0.08 -0.25 0.93 0.00 0.00 0.00 179.25 180.54 1xs8 h GLU 61 N 0.00 -0.48 0.00 0.00 4.39 -1.94 -1.43 114.58 115.12 1xs8 h GLU 61 Ca -0.00 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1xs8 h GLU 61 Cb 0.21 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1xs8 h GLU 61 CO 0.01 -0.32 -0.23 0.45 -1.16 0.00 0.00 179.01 177.76 1xs8 h HIS 62 N -0.50 0.00 0.26 4.33 3.86 -1.75 -2.56 115.15 118.78 1xs8 h HIS 62 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1xs8 h HIS 62 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1xs8 h HIS 62 CO -0.19 0.23 -0.13 -0.09 0.86 0.00 0.00 177.93 178.61 1xs8 h ARG 63 N 0.00 -0.34 0.00 2.45 9.65 -1.14 0.13 114.38 125.13 1xs8 h ARG 63 Ca -0.00 0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 1xs8 h ARG 63 Cb 1.17 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1xs8 h ARG 63 CO 0.03 -0.10 -0.42 1.57 2.80 0.00 0.00 179.97 183.85 1xs8 h LYS 64 N -0.54 0.00 -0.25 0.20 2.10 -1.32 -2.29 116.57 114.47 1xs8 h LYS 64 Ca -0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1xs8 h LYS 64 Cb 0.40 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1xs8 h LYS 64 CO 0.06 0.42 0.13 1.25 -2.00 0.00 0.00 179.45 179.31 1xs8 h LEU 65 N 0.00 0.31 -0.36 7.07 7.12 -1.23 0.16 115.31 128.38 1xs8 h LEU 65 Ca -0.00 -0.10 0.07 0.00 0.13 0.00 0.00 57.88 57.98 1xs8 h LEU 65 Cb 0.80 -0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 40.79 1xs8 h LEU 65 CO 0.05 0.32 -0.04 0.25 -0.13 0.00 0.00 178.44 178.90 1xs8 h LEU 66 N 0.28 -0.22 -0.01 2.25 5.85 -0.46 0.23 115.31 123.22 1xs8 h LEU 66 Ca 0.09 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1xs8 h LEU 66 Cb 0.08 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1xs8 h LEU 66 CO -0.01 -0.07 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.83 1xs8 h GLU 67 N 0.06 -0.16 -0.71 1.25 4.81 -1.08 -0.60 114.58 118.14 1xs8 h GLU 67 Ca 0.17 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1xs8 h GLU 67 Cb 0.25 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1xs8 h GLU 67 CO -0.33 -0.11 0.46 1.96 -0.73 0.00 0.00 179.01 180.27 1xs8 h GLN 68 N -0.17 0.90 -0.58 1.92 4.20 -0.22 -0.41 115.11 120.75 1xs8 h GLN 68 Ca 0.04 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1xs8 h GLN 68 Cb 0.23 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1xs8 h GLN 68 CO -0.11 0.59 0.07 0.93 -0.67 0.00 0.00 178.83 179.64 1xs8 h GLU 69 N 0.92 0.97 0.03 1.46 5.08 -0.74 -2.24 114.58 120.06 1xs8 h GLU 69 Ca 0.27 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xs8 h GLU 69 Cb -0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1xs8 h GLU 69 CO -0.08 0.93 -0.01 1.98 -1.00 0.00 0.00 179.01 180.83 1xs8 h MET 70 N 0.86 -0.04 -0.18 2.33 4.05 -0.46 -1.74 114.93 119.75 1xs8 h MET 70 Ca 0.17 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.52 1xs8 h MET 70 Cb 0.44 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1xs8 h MET 70 CO 0.01 0.15 -0.22 0.28 0.23 0.00 0.00 176.91 177.37 1xs8 h VAL 71 N -0.23 1.24 -0.15 -5.77 2.07 -1.11 0.91 116.25 113.21 1xs8 h VAL 71 Ca -0.00 -1.09 -0.16 0.00 0.82 0.00 0.00 66.70 66.27 1xs8 h VAL 71 Cb 0.21 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1xs8 h VAL 71 CO 0.01 0.34 -0.56 0.28 0.02 0.00 0.00 177.57 177.65 1xs8 h SER 72 N 0.29 0.52 0.00 0.57 0.02 -1.24 0.11 113.55 113.83 1xs8 h SER 72 Ca 0.05 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1xs8 h SER 72 Cb 0.55 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1xs8 h SER 72 CO 0.04 0.97 -0.58 0.15 -1.14 0.00 0.00 176.83 176.27 1xs8 h PHE 73 N 0.36 0.00 0.06 3.45 3.04 -1.01 -3.20 116.94 119.64 1xs8 h PHE 73 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1xs8 h PHE 73 Cb 1.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.60 1xs8 h PHE 73 CO 0.04 0.39 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.62 1xs8 h LEU 74 N -1.00 -0.07 0.16 0.59 3.38 -0.98 -3.35 115.31 114.03 1xs8 h LEU 74 Ca -0.08 -0.53 -0.23 0.00 0.09 0.00 0.00 57.88 57.13 1xs8 h LEU 74 Cb 0.64 0.02 0.03 0.00 0.09 0.00 0.00 40.66 41.43 1xs8 h LEU 74 CO -0.05 0.54 -1.01 0.15 0.09 0.00 0.00 178.44 178.16 1xs8 h PHE 75 N -0.73 0.72 -5.46 1.13 3.57 -1.58 -3.27 116.94 111.33 1xs8 h PHE 75 Ca -0.01 -0.50 -0.04 0.00 3.53 0.00 0.00 57.97 60.95 1xs8 h PHE 75 Cb 0.60 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1xs8 h PHE 75 CO 0.13 1.38 -0.35 -1.91 -2.23 0.00 0.00 178.31 175.33 1xs8 n GLU 76 N -4.00 -1.86 0.00 1.11 2.13 0.37 -4.74 120.64 113.66 1xs8 n GLU 76 Ca -0.14 1.75 0.00 0.00 0.66 0.00 0.00 57.16 59.43 1xs8 n GLU 76 Cb 0.90 -5.38 0.00 0.00 0.27 0.00 0.00 31.44 27.23 1xs8 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs8 n GLY 77 N -1.00 -1.59 3.71 8.31 0.00 -1.25 -5.06 105.19 108.30 1xs8 n GLY 77 Ca 0.04 0.55 -0.25 0.00 0.00 0.00 0.00 46.02 46.35 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 2.55 -0.06 1.61 0.00 -1.26 -5.03 119.74 117.55 1xs8 s LYS 78 Ca 0.00 -1.11 0.19 0.00 0.00 0.00 0.00 55.97 55.05 1xs8 s LYS 78 Cb 0.00 -2.41 -0.28 0.00 0.00 0.00 0.00 37.83 35.14 1xs8 s LYS 78 CO 0.00 0.44 0.34 -0.40 0.00 0.00 0.00 175.35 175.73 1xs8 n ASP 79 N -0.44 0.56 -4.64 0.03 5.75 -1.26 -4.92 116.55 111.63 1xs8 n ASP 79 Ca -0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.27 1xs8 n ASP 79 Cb 0.56 1.66 -0.02 0.00 -1.03 0.00 0.00 41.12 42.29 1xs8 n ASP 79 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xs8 s VAL 80 N -3.13 4.20 0.43 2.12 1.01 -1.26 -5.00 120.40 118.77 1xs8 s VAL 80 Ca -0.08 1.39 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 1xs8 s VAL 80 Cb 0.11 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1xs8 s VAL 80 CO 0.79 -0.38 1.14 -1.00 0.00 0.00 0.00 175.10 175.64 1xs8 s HIS 81 N 4.10 3.03 -0.70 5.22 3.76 -1.26 -5.00 115.29 124.43 1xs8 s HIS 81 Ca 0.55 1.57 -0.03 0.00 -0.15 0.00 0.00 55.06 57.00 1xs8 s HIS 81 Cb -0.18 -3.32 0.18 0.00 1.11 0.00 0.00 32.58 30.38 1xs8 s HIS 81 CO 0.20 -1.23 0.54 0.42 -0.85 0.00 0.00 174.74 173.82 1xs8 s ILE 82 N -1.54 3.92 0.33 0.60 1.01 -1.26 -5.02 121.20 119.25 1xs8 s ILE 82 Ca 0.60 -3.22 -0.18 0.00 0.00 0.00 0.00 60.65 57.86 1xs8 s ILE 82 Cb -0.27 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.73 1xs8 s ILE 82 CO 0.34 -0.94 0.80 -1.61 0.00 0.00 0.00 174.94 173.52 1xs8 s GLU 83 N -0.43 2.01 -0.66 2.79 0.41 -1.26 -5.10 118.70 116.45 1xs8 s GLU 83 Ca 0.20 -1.24 -0.27 0.00 -0.41 0.00 0.00 54.97 53.25 1xs8 s GLU 83 Cb -0.16 0.60 0.01 0.00 -1.78 0.00 0.00 34.13 32.80 1xs8 s GLU 83 CO -0.06 -0.94 1.45 0.20 -0.49 0.00 0.00 175.26 175.43 1xs8 s GLY 84 N -3.05 0.72 0.25 -1.39 0.00 -1.26 -4.99 107.32 97.60 1xs8 s GLY 84 Ca 0.15 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.91 1xs8 s GLY 84 CO 0.09 2.87 0.28 -2.52 0.00 0.00 0.00 173.10 173.83 1xs8 s TYR 85 N 6.61 3.27 -0.33 1.90 -0.85 -1.26 -5.10 117.35 121.59 1xs8 s TYR 85 Ca 0.47 -0.08 0.01 0.00 -0.52 0.00 0.00 57.07 56.96 1xs8 s TYR 85 Cb -0.10 -1.50 0.10 0.00 0.38 0.00 0.00 41.96 40.84 1xs8 s TYR 85 CO 0.19 0.46 0.09 0.99 -1.52 0.00 0.00 175.55 175.77 1xs8 s THR 86 N -2.07 1.35 0.04 -3.49 2.01 -1.26 -5.12 115.64 107.11 1xs8 s THR 86 Ca 0.34 -1.78 -0.28 0.00 0.31 0.00 0.00 61.69 60.28 1xs8 s THR 86 Cb -0.08 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1xs8 s THR 86 CO 0.27 -0.67 0.89 -2.16 -0.69 0.00 0.00 174.62 172.26 1xs8 s PRO 87 N 1.30 4.58 0.08 4.92 0.04 -1.26 -4.96 135.00 139.69 1xs8 s PRO 87 Ca 0.11 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1xs8 s PRO 87 Cb -0.18 -3.41 -0.23 0.00 0.04 0.00 0.00 34.50 30.72 1xs8 s PRO 87 CO -0.18 0.14 1.17 1.49 0.04 0.00 0.00 177.00 179.66 1xs8 h GLU 88 N 6.09 0.54 -4.40 4.56 4.81 -2.08 -3.47 114.58 120.62 1xs8 h GLU 88 Ca -0.42 -0.68 -0.35 0.00 -0.13 0.00 0.00 59.36 57.78 1xs8 h GLU 88 Cb 1.21 0.22 -0.10 0.00 0.63 0.00 0.00 28.75 30.71 1xs8 h GLU 88 CO 0.73 1.28 -0.29 0.34 -0.73 0.00 0.00 179.01 180.34 1xs8 s ASP 89 N -7.29 1.20 0.00 1.04 -1.08 -1.26 -5.08 116.67 104.20 1xs8 s ASP 89 Ca -0.08 -1.59 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 1xs8 s ASP 89 Cb 0.07 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1xs8 s ASP 89 CO 0.91 -1.22 0.39 2.29 0.52 0.00 0.00 175.17 178.06 1xs8 n LYS 90 N -0.59 0.00 0.00 4.34 2.85 -1.26 -5.20 118.16 118.30 1xs8 n LYS 90 Ca 0.03 -0.22 0.09 0.00 -1.05 0.00 0.00 58.31 57.16 1xs8 n LYS 90 Cb 0.62 -0.14 0.07 0.00 -0.65 0.00 0.00 35.03 34.93 1xs8 n LYS 90 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52