#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bo3 s ARG 2 N 0.00 0.50 -0.20 0.03 1.70 -1.26 -5.14 118.95 114.58 2bo3 s ARG 2 Ca 0.00 -0.24 -0.24 0.00 -0.47 0.00 0.00 55.73 54.78 2bo3 s ARG 2 Cb 0.00 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 2bo3 s ARG 2 CO 0.00 -0.23 0.76 -0.51 -1.08 0.00 0.00 175.30 174.25 2bo3 s ASP 3 N -2.65 6.82 -1.17 -2.89 1.11 -1.26 -4.99 116.67 111.64 2bo3 s ASP 3 Ca 0.11 1.01 -0.10 0.00 0.18 0.00 0.00 52.55 53.76 2bo3 s ASP 3 Cb 0.02 -2.41 0.23 0.00 1.07 0.00 0.00 42.92 41.82 2bo3 s ASP 3 CO -0.04 -0.39 1.38 -1.22 1.18 0.00 0.00 175.17 176.08 2bo3 n TYR 4 N 5.42 4.52 -3.13 4.23 4.02 -1.26 -4.80 117.16 126.16 2bo3 n TYR 4 Ca 0.03 -3.41 -0.19 0.00 -0.01 0.00 0.00 57.90 54.32 2bo3 n TYR 4 Cb 0.49 -1.86 -0.03 0.00 -0.02 0.00 0.00 39.34 37.91 2bo3 n TYR 4 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2bo3 n SER 5 N 3.77 0.07 0.00 7.72 7.64 -1.26 -5.02 113.62 126.55 2bo3 n SER 5 Ca 0.31 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 57.24 2bo3 n SER 5 Cb 0.39 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2bo3 n SER 5 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2bo3 n GLU 6 N 0.84 0.00 0.00 1.43 0.00 -1.26 -5.25 120.64 116.41 2bo3 n GLU 6 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.37 2bo3 n GLU 6 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 2bo3 n GLU 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2bo3 n GLU 8 N 0.00 0.00 -0.16 5.31 4.71 -1.26 -5.72 120.64 123.52 2bo3 n GLU 8 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2bo3 n GLU 8 Cb 0.00 -1.38 0.01 0.00 -1.01 0.00 0.00 31.44 29.06 2bo3 n GLU 8 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 2bo3 h ILE 9 N 0.85 1.17 -4.04 -3.67 3.07 -2.04 -3.43 117.51 109.43 2bo3 h ILE 9 Ca 0.00 -0.46 -0.45 0.00 1.55 0.00 0.00 64.86 65.50 2bo3 h ILE 9 Cb 0.00 0.62 -0.02 0.00 -0.27 0.00 0.00 36.82 37.16 2bo3 h ILE 9 CO 0.00 0.19 0.34 -0.36 -1.05 0.00 0.00 178.15 177.27 2bo3 s PHE 10 N -5.80 3.35 -0.50 0.16 2.99 -1.26 -4.39 117.98 112.54 2bo3 s PHE 10 Ca -0.13 1.63 -0.13 0.00 0.00 0.00 0.00 56.93 58.30 2bo3 s PHE 10 Cb 0.11 -2.87 0.02 0.00 0.00 0.00 0.00 43.02 40.28 2bo3 s PHE 10 CO 0.75 -0.09 0.62 -1.91 -0.00 0.00 0.00 175.22 174.59 2bo3 n GLU 11 N -0.48 -2.15 -4.39 0.44 4.07 -1.26 -5.04 120.64 111.84 2bo3 n GLU 11 Ca 0.06 1.97 -0.27 0.00 -0.06 0.00 0.00 57.16 58.86 2bo3 n GLU 11 Cb 0.53 -5.60 -0.12 0.00 -0.06 0.00 0.00 31.44 26.18 2bo3 n GLU 11 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2bo3 s GLY 12 N -2.67 1.58 -0.24 8.31 0.00 -1.26 -5.05 107.32 107.99 2bo3 s GLY 12 Ca 0.20 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 2bo3 s GLY 12 CO 0.77 -1.50 0.03 0.21 0.00 0.00 0.00 173.10 172.61 2bo3 s ASN 13 N -2.27 3.44 0.28 1.64 3.04 -1.26 -5.03 114.94 114.78 2bo3 s ASN 13 Ca 0.15 -1.13 0.02 0.00 0.04 0.00 0.00 52.86 51.94 2bo3 s ASN 13 Cb -0.09 -0.80 0.65 0.00 -1.54 0.00 0.00 41.25 39.46 2bo3 s ASN 13 CO 0.07 -0.32 1.73 -0.65 -3.04 0.00 0.00 177.10 174.89 2bo3 h PRO 14 N 8.13 0.50 0.00 0.43 0.11 -2.00 -2.07 132.00 137.10 2bo3 h PRO 14 Ca -0.16 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.80 2bo3 h PRO 14 Cb 1.08 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2bo3 h PRO 14 CO 0.39 0.33 -0.56 -0.07 -0.21 0.00 0.00 178.00 177.88 2bo3 h LEU 15 N 0.51 0.00 -0.78 2.35 3.38 -1.98 -2.18 115.31 116.61 2bo3 h LEU 15 Ca 0.52 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.36 2bo3 h LEU 15 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2bo3 h LEU 15 CO -0.45 0.56 -0.54 0.44 0.09 0.00 0.00 178.44 178.54 2bo3 h ASP 16 N 0.00 0.20 0.22 -0.43 3.32 -1.81 -1.81 116.42 116.11 2bo3 h ASP 16 Ca -0.01 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.72 2bo3 h ASP 16 Cb 1.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2bo3 h ASP 16 CO 0.07 0.70 -0.89 0.11 -1.72 0.00 0.00 179.24 177.52 2bo3 h LYS 17 N 0.14 0.49 -0.55 3.56 1.79 -1.42 -1.87 116.57 118.71 2bo3 h LYS 17 Ca 0.00 -0.48 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 2bo3 h LYS 17 Cb 1.00 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 2bo3 h LYS 17 CO 0.08 1.12 0.29 2.35 -1.08 0.00 0.00 179.45 182.21 2bo3 h TRP 18 N 0.30 0.76 -0.27 -1.35 7.01 -1.22 -1.04 115.95 120.15 2bo3 h TRP 18 Ca -0.07 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.90 2bo3 h TRP 18 Cb 1.51 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 28.32 2bo3 h TRP 18 CO 0.07 0.57 0.15 -0.97 -2.79 0.00 0.00 178.44 175.47 2bo3 h ASN 19 N 0.74 0.33 -0.38 2.65 -1.24 -1.22 0.49 115.58 116.95 2bo3 h ASN 19 Ca 0.19 -0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.17 2bo3 h ASN 19 Cb 0.07 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 2bo3 h ASN 19 CO -0.03 0.31 0.15 0.44 -1.29 0.00 0.00 177.43 177.01 2bo3 h ASP 20 N 0.33 0.18 -0.43 1.15 3.45 -1.13 -0.08 116.42 119.89 2bo3 h ASP 20 Ca 0.10 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.56 2bo3 h ASP 20 Cb 0.05 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 2bo3 h ASP 20 CO -0.02 0.14 0.17 0.40 -1.57 0.00 0.00 179.24 178.37 2bo3 h ILE 21 N 0.32 1.20 -0.78 0.35 5.03 -1.06 0.76 117.51 123.33 2bo3 h ILE 21 Ca 0.17 -0.62 -0.03 0.00 -0.12 0.00 0.00 64.86 64.26 2bo3 h ILE 21 Cb 0.13 0.80 -0.04 0.00 -3.03 0.00 0.00 36.82 34.68 2bo3 h ILE 21 CO -0.16 0.23 0.38 0.40 -0.68 0.00 0.00 178.15 178.33 2bo3 h ILE 22 N 0.56 1.24 -0.00 -0.67 5.03 -0.37 -1.74 117.51 121.56 2bo3 h ILE 22 Ca 0.14 -0.68 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 2bo3 h ILE 22 Cb 0.19 0.26 0.00 0.00 -3.03 0.00 0.00 36.82 34.24 2bo3 h ILE 22 CO -0.01 0.29 -0.35 0.49 -0.68 0.00 0.00 178.15 177.89 2bo3 n PHE 23 N -4.38 0.00 0.21 1.37 3.72 -0.09 -4.09 117.46 114.21 2bo3 n PHE 23 Ca 0.07 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.52 2bo3 n PHE 23 Cb 0.13 -0.31 -0.08 0.00 -0.94 0.00 0.00 39.48 38.29 2bo3 n PHE 23 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2bo3 n HIS 24 N -1.45 0.00 -1.56 1.38 8.25 0.24 -5.00 115.22 117.08 2bo3 n HIS 24 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 2bo3 n HIS 24 Cb 0.33 -0.15 0.15 0.00 1.12 0.00 0.00 29.99 31.44 2bo3 n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bo3 s ALA 25 N -2.46 1.78 0.13 -1.41 0.00 -0.66 -4.93 121.76 114.21 2bo3 s ALA 25 Ca -0.01 -0.65 -0.35 0.00 0.00 0.00 0.00 51.96 50.96 2bo3 s ALA 25 Cb 0.08 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 20.06 2bo3 s ALA 25 CO 0.46 -2.38 1.45 0.45 0.00 0.00 0.00 175.76 175.74 2bo3 n SER 26 N -3.83 2.41 0.31 0.00 2.88 -1.26 -4.80 113.62 109.34 2bo3 n SER 26 Ca 0.08 1.10 0.21 0.00 -1.33 0.00 0.00 58.87 58.94 2bo3 n SER 26 Cb 0.59 -1.32 1.13 0.00 -0.75 0.00 0.00 64.21 63.86 2bo3 n SER 26 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2bo3 h LYS 27 N 5.17 0.00 0.03 -1.46 1.79 -1.93 -1.07 116.57 119.11 2bo3 h LYS 27 Ca -0.46 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.80 2bo3 h LYS 27 Cb 1.29 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.96 2bo3 h LYS 27 CO 0.83 0.00 -0.83 -0.22 -1.08 0.00 0.00 179.45 178.15 2bo3 h LYS 28 N 0.00 0.51 -0.06 3.15 3.64 -1.99 -2.80 116.57 119.02 2bo3 h LYS 28 Ca 0.00 -0.59 -0.23 0.00 -1.27 0.00 0.00 60.65 58.56 2bo3 h LYS 28 Cb 0.00 0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2bo3 h LYS 28 CO 0.00 1.22 -0.86 -0.07 -2.27 0.00 0.00 179.45 177.46 2bo3 h LEU 29 N 0.05 0.86 -0.84 5.20 3.38 -1.63 -2.45 115.31 119.88 2bo3 h LEU 29 Ca -0.11 -0.70 -0.11 0.00 0.09 0.00 0.00 57.88 57.05 2bo3 h LEU 29 Cb 1.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2bo3 h LEU 29 CO 0.16 1.43 -0.29 0.77 0.09 0.00 0.00 178.44 180.60 2bo3 h SER 30 N 0.37 0.54 -0.27 -0.43 4.64 -1.38 -1.65 113.55 115.37 2bo3 h SER 30 Ca -0.09 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 60.98 2bo3 h SER 30 Cb 1.51 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 2bo3 h SER 30 CO 0.17 0.81 -0.01 0.50 -0.87 0.00 0.00 176.83 177.43 2bo3 h LYS 31 N 0.46 0.48 -0.85 4.77 3.64 -1.50 -1.20 116.57 122.36 2bo3 h LYS 31 Ca 0.06 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2bo3 h LYS 31 Cb 0.74 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 2bo3 h LYS 31 CO 0.06 0.65 0.48 -0.22 -2.27 0.00 0.00 179.45 178.15 2bo3 h LYS 32 N 0.26 1.18 -0.37 1.90 3.64 -1.28 -1.43 116.57 120.46 2bo3 h LYS 32 Ca 0.07 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2bo3 h LYS 32 Cb 0.44 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2bo3 h LYS 32 CO 0.02 0.85 -0.31 1.49 -2.27 0.00 0.00 179.45 179.22 2bo3 h GLU 33 N 1.18 0.82 -0.24 1.90 4.57 -1.19 -1.72 114.58 119.90 2bo3 h GLU 33 Ca 0.30 -0.38 -0.13 0.00 -1.18 0.00 0.00 59.36 57.97 2bo3 h GLU 33 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2bo3 h GLU 33 CO -0.05 1.02 -0.39 -0.07 -1.18 0.00 0.00 179.01 178.34 2bo3 h LEU 34 N 0.69 0.59 -0.65 1.64 4.07 -1.01 -2.25 115.31 118.39 2bo3 h LEU 34 Ca 0.07 -0.26 -0.14 0.00 0.08 0.00 0.00 57.88 57.63 2bo3 h LEU 34 Cb 0.86 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2bo3 h LEU 34 CO 0.08 0.92 -0.53 -0.33 -1.08 0.00 0.00 178.44 177.50 2bo3 h GLU 35 N 0.46 0.40 0.06 1.13 5.08 -1.09 -1.55 114.58 119.07 2bo3 h GLU 35 Ca 0.04 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2bo3 h GLU 35 Cb 0.88 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2bo3 h GLU 35 CO 0.08 0.83 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.80 2bo3 h ARG 36 N 0.31 -0.07 -0.72 2.33 2.43 -1.09 -0.68 114.38 116.89 2bo3 h ARG 36 Ca 0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2bo3 h ARG 36 Cb 1.03 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 2bo3 h ARG 36 CO 0.09 -0.03 0.38 -0.07 -1.51 0.00 0.00 179.97 178.83 2bo3 h LEU 37 N -0.09 0.91 -0.77 3.80 3.38 -1.30 -0.82 115.31 120.41 2bo3 h LEU 37 Ca -0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2bo3 h LEU 37 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2bo3 h LEU 37 CO 0.01 0.76 0.34 0.25 0.09 0.00 0.00 178.44 179.89 2bo3 h LEU 38 N 0.99 1.04 -0.51 1.67 5.85 -1.08 -0.63 115.31 122.64 2bo3 h LEU 38 Ca 0.25 -0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 2bo3 h LEU 38 Cb 0.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2bo3 h LEU 38 CO -0.04 0.91 -0.63 -0.08 -0.34 0.00 0.00 178.44 178.27 2bo3 h GLU 39 N 1.11 0.42 -0.20 1.25 4.81 -0.89 -1.07 114.58 120.02 2bo3 h GLU 39 Ca 0.26 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2bo3 h GLU 39 Cb 0.17 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2bo3 h GLU 39 CO -0.03 0.91 -0.05 1.25 -0.73 0.00 0.00 179.01 180.37 2bo3 h LEU 40 N 0.31 0.38 -0.13 1.64 5.85 -0.94 -0.68 115.31 121.74 2bo3 h LEU 40 Ca -0.01 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.37 2bo3 h LEU 40 Cb 1.17 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2bo3 h LEU 40 CO 0.11 0.66 -0.04 0.25 -0.34 0.00 0.00 178.44 179.07 2bo3 h LEU 41 N 0.10 -0.16 -1.14 2.25 5.85 -1.05 0.11 115.31 121.28 2bo3 h LEU 41 Ca 0.05 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.91 2bo3 h LEU 41 Cb 0.49 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 2bo3 h LEU 41 CO 0.02 -0.06 0.60 0.00 -0.34 0.00 0.00 178.44 178.65 2bo3 h ALA 42 N 1.11 1.57 0.10 1.25 0.00 -1.07 0.02 119.26 122.24 2bo3 h ALA 42 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2bo3 h ALA 42 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2bo3 h ALA 42 CO -0.15 0.25 -0.05 -0.07 0.00 0.00 0.00 179.25 179.23 2bo3 h LEU 43 N 0.96 -0.12 -1.09 0.00 4.07 0.02 -1.31 115.31 117.83 2bo3 h LEU 43 Ca 0.42 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 2bo3 h LEU 43 Cb 0.36 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 2bo3 h LEU 43 CO -0.18 0.10 0.53 -0.07 -1.08 0.00 0.00 178.44 177.74 2bo3 h LEU 44 N -0.34 1.01 -0.00 1.67 3.38 -0.41 0.25 115.31 120.87 2bo3 h LEU 44 Ca -0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2bo3 h LEU 44 Cb 0.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2bo3 h LEU 44 CO 0.02 0.76 -0.00 -0.33 0.09 0.00 0.00 178.44 178.98 2bo3 h GLU 45 N 1.17 0.00 -1.00 1.13 5.08 -0.92 -2.10 114.58 117.94 2bo3 h GLU 45 Ca 0.31 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2bo3 h GLU 45 Cb -0.08 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 2bo3 h GLU 45 CO -0.06 0.37 0.66 1.15 -1.00 0.00 0.00 179.01 180.12 2bo3 h THR 46 N -0.36 1.16 -0.31 1.13 2.02 -1.02 -2.26 112.91 113.27 2bo3 h THR 46 Ca 0.00 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2bo3 h THR 46 Cb 0.36 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2bo3 h THR 46 CO 0.00 0.23 0.14 0.15 0.37 0.00 0.00 175.52 176.41 2bo3 h PHE 47 N 1.26 0.46 -0.39 3.16 3.57 -0.89 -0.88 116.94 123.22 2bo3 h PHE 47 Ca 0.40 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.90 2bo3 h PHE 47 Cb 0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2bo3 h PHE 47 CO -0.00 0.42 0.26 0.82 -2.23 0.00 0.00 178.31 177.58 2bo3 h ILE 48 N 0.36 1.05 -0.01 1.41 2.04 -0.92 -1.05 117.51 120.39 2bo3 h ILE 48 Ca 0.11 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 2bo3 h ILE 48 Cb 0.15 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2bo3 h ILE 48 CO -0.01 0.08 -0.34 -0.33 0.00 0.00 0.00 178.15 177.55 2bo3 h GLU 49 N 0.45 0.25 0.00 2.37 5.08 -1.07 0.45 114.58 122.11 2bo3 h GLU 49 Ca 0.15 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2bo3 h GLU 49 Cb 0.06 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2bo3 h GLU 49 CO -0.04 0.96 -0.14 1.57 -1.00 0.00 0.00 179.01 180.36 2bo3 h LYS 50 N -0.35 0.00 -0.01 2.33 2.10 -0.87 0.29 116.57 120.06 2bo3 h LYS 50 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2bo3 h LYS 50 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2bo3 h LYS 50 CO 0.07 0.14 -0.09 -1.91 -2.00 0.00 0.00 179.45 175.66 2bo3 n GLU 51 N -3.78 1.24 -3.97 0.07 4.07 -0.42 -4.93 120.64 112.92 2bo3 n GLU 51 Ca -0.02 -0.64 -0.28 0.00 -0.06 0.00 0.00 57.16 56.16 2bo3 n GLU 51 Cb 0.25 -1.49 -0.01 0.00 -0.06 0.00 0.00 31.44 30.14 2bo3 n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2bo3 n ASP 52 N -0.32 -1.92 -1.01 4.31 9.92 0.10 -4.85 116.55 122.78 2bo3 n ASP 52 Ca 0.17 -0.94 0.08 0.00 -0.53 0.00 0.00 54.79 53.57 2bo3 n ASP 52 Cb 0.32 -3.29 0.25 0.00 -0.64 0.00 0.00 41.12 37.76 2bo3 n ASP 52 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2bo3 n LEU 53 N -4.43 3.67 -0.24 0.64 4.77 0.15 -4.64 117.00 116.92 2bo3 n LEU 53 Ca -0.16 -2.27 0.05 0.00 -0.03 0.00 0.00 56.01 53.60 2bo3 n LEU 53 Cb 0.61 -0.40 0.17 0.00 -2.33 0.00 0.00 43.42 41.47 2bo3 n LEU 53 CO 0.77 0.78 0.95 -0.33 -1.33 0.00 0.00 177.39 178.23 2bo3 h GLU 54 N 2.83 0.31 -0.40 3.23 5.08 -1.88 0.35 114.58 124.10 2bo3 h GLU 54 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2bo3 h GLU 54 Cb 1.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2bo3 h GLU 54 CO 0.09 0.20 -0.23 0.93 -1.00 0.00 0.00 179.01 179.00 2bo3 h GLU 55 N 0.32 0.86 -0.57 2.33 5.08 -1.94 -1.97 114.58 118.69 2bo3 h GLU 55 Ca 0.40 -0.39 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2bo3 h GLU 55 Cb 0.65 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2bo3 h GLU 55 CO -0.46 1.03 0.25 0.87 -1.00 0.00 0.00 179.01 179.70 2bo3 h LYS 56 N 0.67 0.45 -0.30 2.33 1.79 -1.42 -1.05 116.57 119.04 2bo3 h LYS 56 Ca 0.08 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.36 2bo3 h LYS 56 Cb 0.80 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2bo3 h LYS 56 CO 0.07 0.30 -0.46 0.35 -1.08 0.00 0.00 179.45 178.62 2bo3 h PHE 57 N 0.47 0.97 -0.29 -1.35 3.57 -0.26 -1.18 116.94 118.87 2bo3 h PHE 57 Ca 0.27 -0.32 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 2bo3 h PHE 57 Cb 0.27 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2bo3 h PHE 57 CO -0.13 1.11 -0.07 0.93 -2.23 0.00 0.00 178.31 177.91 2bo3 h GLU 58 N 0.63 0.46 0.36 1.11 5.08 -0.96 0.33 114.58 121.60 2bo3 h GLU 58 Ca 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2bo3 h GLU 58 Cb 1.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2bo3 h GLU 58 CO 0.10 0.54 -0.17 0.77 -1.00 0.00 0.00 179.01 179.25 2bo3 h SER 59 N 0.44 -0.41 -0.56 1.42 0.02 -1.09 -1.52 113.55 111.85 2bo3 h SER 59 Ca 0.09 -0.15 0.11 0.00 -0.84 0.00 0.00 61.79 61.00 2bo3 h SER 59 Cb 0.40 0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.95 2bo3 h SER 59 CO 0.02 -0.00 0.03 0.15 -1.14 0.00 0.00 176.83 175.89 2bo3 h PHE 60 N -0.92 0.02 0.00 3.45 3.57 -0.97 1.03 116.94 123.12 2bo3 h PHE 60 Ca -0.05 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2bo3 h PHE 60 Cb 0.54 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2bo3 h PHE 60 CO 0.03 -0.11 -0.06 0.00 -2.23 0.00 0.00 178.31 175.94 2bo3 h ALA 61 N 1.49 1.07 -0.01 2.41 0.00 -0.38 -1.00 119.26 122.85 2bo3 h ALA 61 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2bo3 h ALA 61 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bo3 h ALA 61 CO -0.45 0.07 -0.60 1.63 0.00 0.00 0.00 179.25 179.90 2bo3 n LYS 62 N -3.26 0.69 -0.48 0.00 4.76 0.99 -3.89 118.16 116.97 2bo3 n LYS 62 Ca -0.01 -0.54 0.10 0.00 -2.87 0.00 0.00 58.31 54.99 2bo3 n LYS 62 Cb 0.26 -1.49 0.33 0.00 -1.84 0.00 0.00 35.03 32.29 2bo3 n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bo3 n ALA 63 N -0.68 2.74 -0.03 7.82 0.00 0.32 -4.26 120.51 126.42 2bo3 n ALA 63 Ca 0.08 -1.38 -0.16 0.00 0.00 0.00 0.00 53.44 51.98 2bo3 n ALA 63 Cb 0.40 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 2bo3 n ALA 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2bo3 n LEU 64 N 1.34 1.92 -0.27 0.00 0.00 -1.15 -3.02 117.00 115.83 2bo3 n LEU 64 Ca 0.24 0.21 0.10 0.00 0.00 0.00 0.00 56.01 56.56 2bo3 n LEU 64 Cb 0.73 -0.57 0.34 0.00 0.00 0.00 0.00 43.42 43.93 2bo3 n LEU 64 CO 0.20 0.69 1.22 -0.09 0.00 0.00 0.00 177.39 179.41 2bo3 h ARG 65 N 0.04 0.75 0.00 1.96 2.43 -1.81 -2.88 114.38 114.87 2bo3 h ARG 65 Ca -0.41 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 58.49 2bo3 h ARG 65 Cb 2.03 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 31.37 2bo3 h ARG 65 CO 0.06 0.50 -1.66 0.44 -1.51 0.00 0.00 179.97 177.79 2bo3 n ILE 66 N -4.54 1.30 -1.33 1.20 -5.35 -1.26 -4.94 119.36 104.45 2bo3 n ILE 66 Ca 0.16 -0.74 -0.29 0.00 -0.27 0.00 0.00 62.75 61.61 2bo3 n ILE 66 Cb 0.38 -0.77 0.18 0.00 -1.74 0.00 0.00 39.64 37.70 2bo3 n ILE 66 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2bo3 s ASP 67 N -5.79 2.42 0.00 7.28 -1.08 -1.09 -5.01 116.67 113.40 2bo3 s ASP 67 Ca -0.05 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 2bo3 s ASP 67 Cb 0.08 -1.32 0.00 0.00 -1.46 0.00 0.00 42.92 40.22 2bo3 s ASP 67 CO 0.82 -3.22 0.00 -0.62 0.52 0.00 0.00 175.17 172.67 2bo3 n GLU 68 N -4.19 0.00 0.27 4.34 1.02 -1.26 -4.63 120.64 116.19 2bo3 n GLU 68 Ca 0.09 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.41 2bo3 n GLU 68 Cb 0.59 -0.10 0.87 0.00 -0.02 0.00 0.00 31.44 32.78 2bo3 n GLU 68 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2bo3 h GLU 69 N 0.00 0.00 0.04 3.49 4.11 -1.97 -1.73 114.58 118.52 2bo3 h GLU 69 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.14 2bo3 h GLU 69 Cb 0.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2bo3 h GLU 69 CO 0.00 0.00 -1.59 1.25 0.07 0.00 0.00 179.01 178.74 2bo3 h LEU 70 N 0.00 0.12 0.25 3.06 7.12 -1.94 -2.74 115.31 121.18 2bo3 h LEU 70 Ca 0.00 -0.20 -0.01 0.00 0.13 0.00 0.00 57.88 57.79 2bo3 h LEU 70 Cb 0.23 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2bo3 h LEU 70 CO 0.00 1.18 -0.12 1.56 -0.13 0.00 0.00 178.44 180.93 2bo3 h GLN 71 N 0.02 -0.33 -0.83 1.25 4.20 -1.60 -0.86 115.11 116.95 2bo3 h GLN 71 Ca -0.25 0.02 0.21 0.00 0.06 0.00 0.00 58.65 58.69 2bo3 h GLN 71 Cb 1.98 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.78 2bo3 h GLN 71 CO 0.10 -0.02 0.57 0.37 -0.67 0.00 0.00 178.83 179.18 2bo3 h GLN 72 N -0.63 0.24 0.15 1.46 5.75 -1.51 -1.16 115.11 119.41 2bo3 h GLN 72 Ca -0.03 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2bo3 h GLN 72 Cb 0.45 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.95 2bo3 h GLN 72 CO 0.06 0.16 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.10 2bo3 h LYS 73 N 0.25 -0.20 0.00 1.69 3.64 -1.09 -1.96 116.57 118.90 2bo3 h LYS 73 Ca 0.42 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 2bo3 h LYS 73 Cb 1.25 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2bo3 h LYS 73 CO -0.10 0.18 -0.12 -0.84 -2.27 0.00 0.00 179.45 176.29 2bo3 h ILE 74 N -0.62 0.45 -0.39 2.00 -0.00 -0.52 -0.79 117.51 117.65 2bo3 h ILE 74 Ca -0.02 -0.63 -0.12 0.00 -0.00 0.00 0.00 64.86 64.09 2bo3 h ILE 74 Cb 0.47 1.44 -0.01 0.00 -0.00 0.00 0.00 36.82 38.71 2bo3 h ILE 74 CO 0.03 0.12 -0.26 -0.08 -0.00 0.00 0.00 178.15 177.97 2bo3 h GLU 75 N 0.00 0.80 -0.02 0.16 4.57 -1.13 0.32 114.58 119.27 2bo3 h GLU 75 Ca -0.00 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.69 2bo3 h GLU 75 Cb 0.43 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2bo3 h GLU 75 CO 0.02 0.97 -0.66 0.77 -1.18 0.00 0.00 179.01 178.92 2bo3 h SER 76 N 0.69 0.12 -0.09 1.04 0.02 -0.45 -2.94 113.55 111.93 2bo3 h SER 76 Ca 0.09 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 2bo3 h SER 76 Cb 0.78 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2bo3 h SER 76 CO 0.06 0.75 -0.44 -0.09 -1.14 0.00 0.00 176.83 175.97 2bo3 h ARG 77 N 0.07 0.64 -0.78 3.45 9.65 -0.77 -1.84 114.38 124.80 2bo3 h ARG 77 Ca -0.01 -0.35 -0.04 0.00 -1.10 0.00 0.00 59.98 58.48 2bo3 h ARG 77 Cb 1.18 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.74 2bo3 h ARG 77 CO 0.09 0.95 0.32 0.87 2.80 0.00 0.00 179.97 185.01 2bo3 h LYS 78 N 0.52 1.14 -0.41 0.20 1.57 -0.79 -0.95 116.57 117.85 2bo3 h LYS 78 Ca 0.03 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2bo3 h LYS 78 Cb 0.98 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2bo3 h LYS 78 CO 0.09 0.92 0.19 1.15 -0.57 0.00 0.00 179.45 181.22 2bo3 h THR 79 N 1.12 1.18 -0.43 -0.16 2.02 -1.34 -0.26 112.91 115.03 2bo3 h THR 79 Ca 0.26 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2bo3 h THR 79 Cb 0.19 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2bo3 h THR 79 CO -0.02 0.20 0.26 0.44 0.37 0.00 0.00 175.52 176.77 2bo3 h ASP 80 N 0.53 0.52 -0.50 4.18 3.32 -0.84 -0.34 116.42 123.28 2bo3 h ASP 80 Ca 0.14 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2bo3 h ASP 80 Cb 0.14 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2bo3 h ASP 80 CO -0.02 0.42 0.31 0.40 -1.72 0.00 0.00 179.24 178.64 2bo3 h ILE 81 N 0.57 1.15 -0.75 0.35 2.04 -0.95 -0.34 117.51 119.58 2bo3 h ILE 81 Ca 0.16 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2bo3 h ILE 81 Cb -0.00 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 2bo3 h ILE 81 CO -0.03 0.15 0.49 0.58 0.00 0.00 0.00 178.15 179.34 2bo3 h VAL 82 N 0.67 1.17 -0.66 1.67 2.07 -0.64 -0.10 116.25 120.44 2bo3 h VAL 82 Ca 0.18 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2bo3 h VAL 82 Cb -0.03 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 2bo3 h VAL 82 CO -0.04 0.18 0.24 0.40 0.02 0.00 0.00 177.57 178.38 2bo3 h ILE 83 N 1.00 1.24 -0.66 4.57 2.04 -0.48 -0.48 117.51 124.74 2bo3 h ILE 83 Ca 0.28 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 2bo3 h ILE 83 Cb -0.08 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2bo3 h ILE 83 CO -0.07 0.31 0.11 -0.61 0.00 0.00 0.00 178.15 177.89 2bo3 h GLN 84 N 0.94 1.09 0.47 2.37 5.75 -0.72 -0.19 115.11 124.82 2bo3 h GLN 84 Ca 0.22 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2bo3 h GLN 84 Cb 0.24 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2bo3 h GLN 84 CO -0.01 1.00 -0.37 1.03 -2.65 0.00 0.00 178.83 177.83 2bo3 h SER 85 N 1.01 -0.96 -0.67 -0.69 0.87 -0.66 -0.24 113.55 112.21 2bo3 h SER 85 Ca 0.20 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2bo3 h SER 85 Cb 0.43 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 2bo3 h SER 85 CO 0.01 -0.54 0.41 0.24 -0.53 0.00 0.00 176.83 176.43 2bo3 h MET 86 N -0.82 0.91 -0.21 2.24 2.86 -0.99 -2.24 114.93 116.67 2bo3 h MET 86 Ca -0.05 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2bo3 h MET 86 Cb 0.70 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2bo3 h MET 86 CO -0.00 0.64 -0.34 0.00 1.06 0.00 0.00 176.91 178.26 2bo3 h ALA 87 N 1.53 1.03 -0.39 6.32 0.00 -0.64 -1.73 119.26 125.38 2bo3 h ALA 87 Ca 0.25 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2bo3 h ALA 87 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2bo3 h ALA 87 CO -0.05 0.59 -0.22 -0.91 0.00 0.00 0.00 179.25 178.67 2bo3 h ASN 88 N 0.37 0.87 -0.09 0.00 -0.26 -0.53 0.46 115.58 116.40 2bo3 h ASN 88 Ca 0.04 -0.42 -0.10 0.00 -0.56 0.00 0.00 56.30 55.26 2bo3 h ASN 88 Cb 0.78 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 2bo3 h ASN 88 CO 0.06 1.09 -0.26 0.40 -1.06 0.00 0.00 177.43 177.66 2bo3 h ILE 89 N 0.64 1.27 -0.22 2.81 2.04 -1.32 -0.82 117.51 121.91 2bo3 h ILE 89 Ca 0.08 -1.31 -0.18 0.00 1.00 0.00 0.00 64.86 64.45 2bo3 h ILE 89 Cb 0.78 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2bo3 h ILE 89 CO 0.06 0.42 -0.57 0.25 0.00 0.00 0.00 178.15 178.31 2bo3 h LEU 90 N 0.47 0.89 0.00 1.44 7.12 -1.20 -0.54 115.31 123.50 2bo3 h LEU 90 Ca 0.07 -0.57 0.00 0.00 0.13 0.00 0.00 57.88 57.51 2bo3 h LEU 90 Cb 0.70 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2bo3 h LEU 90 CO 0.05 1.30 0.00 -0.24 -0.13 0.00 0.00 178.44 179.42 2bo3 n SER 91 N -4.06 0.00 0.38 1.25 2.88 0.16 -3.82 113.62 110.40 2bo3 n SER 91 Ca -0.06 0.86 -0.18 0.00 -1.33 0.00 0.00 58.87 58.16 2bo3 n SER 91 Cb 0.64 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.65 2bo3 n SER 91 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2bo3 h GLY 92 N 0.00 -1.11 0.00 0.46 0.00 -1.29 -3.50 103.07 97.62 2bo3 h GLY 92 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2bo3 h GLY 92 CO 0.00 -0.39 0.00 1.16 0.00 0.00 0.00 176.54 177.31