#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8z s ASN 2 N 0.00 4.88 0.26 6.12 2.20 -1.26 -4.95 114.94 122.19 1b8z s ASN 2 Ca 0.00 -1.04 -0.05 0.00 -0.94 0.00 0.00 52.86 50.83 1b8z s ASN 2 Cb 0.00 0.42 0.30 0.00 -2.00 0.00 0.00 41.25 39.97 1b8z s ASN 2 CO 0.00 -1.29 1.92 0.50 -2.94 0.00 0.00 177.10 175.30 1b8z h LYS 3 N 0.38 1.28 -0.59 3.55 3.64 -2.05 -1.00 116.57 121.77 1b8z h LYS 3 Ca -0.32 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1b8z h LYS 3 Cb 1.30 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1b8z h LYS 3 CO 0.47 0.85 0.30 -0.22 -2.27 0.00 0.00 179.45 178.57 1b8z h LYS 4 N 1.32 0.85 -0.34 1.90 3.64 -1.99 -0.93 116.57 121.00 1b8z h LYS 4 Ca 0.38 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1b8z h LYS 4 Cb -0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1b8z h LYS 4 CO -0.10 0.68 -0.31 1.49 -2.27 0.00 0.00 179.45 178.93 1b8z h GLU 5 N 0.81 0.74 -0.42 1.90 4.81 -1.85 -1.38 114.58 119.18 1b8z h GLU 5 Ca 0.20 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1b8z h GLU 5 Cb 0.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1b8z h GLU 5 CO -0.03 0.95 0.27 1.25 -0.73 0.00 0.00 179.01 180.72 1b8z h LEU 6 N 0.62 0.45 -0.36 1.64 5.85 -0.75 -1.13 115.31 121.63 1b8z h LEU 6 Ca 0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1b8z h LEU 6 Cb 0.84 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1b8z h LEU 6 CO 0.07 0.32 0.23 0.40 -0.34 0.00 0.00 178.44 179.13 1b8z h ILE 7 N 0.54 1.10 -0.80 4.05 2.04 -0.87 -0.61 117.51 122.97 1b8z h ILE 7 Ca 0.16 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1b8z h ILE 7 Cb -0.03 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1b8z h ILE 7 CO -0.05 0.10 0.32 0.44 0.00 0.00 0.00 178.15 178.96 1b8z h ASP 8 N 0.48 1.11 -0.25 1.72 3.32 -0.99 -0.65 116.42 121.16 1b8z h ASP 8 Ca 0.13 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1b8z h ASP 8 Cb -0.04 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1b8z h ASP 8 CO -0.03 0.98 -0.11 0.03 -1.72 0.00 0.00 179.24 178.39 1b8z h ARG 9 N 1.17 0.53 -0.54 3.56 3.08 -1.03 -1.87 114.38 119.28 1b8z h ARG 9 Ca 0.27 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1b8z h ARG 9 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1b8z h ARG 9 CO -0.02 0.78 0.02 0.28 -1.07 0.00 0.00 179.97 179.95 1b8z h VAL 10 N 0.25 1.26 -0.88 2.04 2.07 -0.95 -2.04 116.25 118.00 1b8z h VAL 10 Ca 0.06 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1b8z h VAL 10 Cb 0.61 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1b8z h VAL 10 CO 0.04 0.39 0.57 0.00 0.02 0.00 0.00 177.57 178.58 1b8z h ALA 11 N 0.96 1.35 -0.14 1.67 0.00 -1.03 -0.33 119.26 121.74 1b8z h ALA 11 Ca 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1b8z h ALA 11 Cb 0.51 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1b8z h ALA 11 CO 0.02 0.59 -0.14 -0.22 0.00 0.00 0.00 179.25 179.50 1b8z h LYS 12 N 1.20 0.35 -0.60 0.00 3.64 -1.13 -1.08 116.57 118.95 1b8z h LYS 12 Ca 0.32 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1b8z h LYS 12 Cb -0.12 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1b8z h LYS 12 CO -0.07 0.73 0.16 0.87 -2.27 0.00 0.00 179.45 178.88 1b8z h LYS 13 N -0.03 0.95 -0.00 1.90 1.57 -1.19 -2.63 116.57 117.14 1b8z h LYS 13 Ca 0.02 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1b8z h LYS 13 Cb 0.67 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1b8z h LYS 13 CO 0.04 0.86 -0.22 0.00 -0.57 0.00 0.00 179.45 179.55 1b8z n ALA 14 N -2.41 2.90 -3.07 3.86 0.00 -0.15 -4.93 120.51 116.71 1b8z n ALA 14 Ca 0.03 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 1b8z n ALA 14 Cb 0.23 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1b8z n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8z n GLY 15 N 1.47 -0.13 3.61 0.00 0.00 -0.51 -5.02 105.19 104.61 1b8z n GLY 15 Ca 0.07 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1b8z n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8z s ALA 16 N -3.13 3.07 0.29 4.61 0.00 -0.62 -5.06 121.76 120.93 1b8z s ALA 16 Ca 0.33 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 1b8z s ALA 16 Cb -0.15 -0.76 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 1b8z s ALA 16 CO 0.41 0.37 1.23 0.15 0.00 0.00 0.00 175.76 177.91 1b8z s LYS 17 N -3.27 4.47 0.36 0.00 1.02 -1.26 -4.61 119.74 116.44 1b8z s LYS 17 Ca 0.28 2.04 0.07 0.00 0.02 0.00 0.00 55.97 58.38 1b8z s LYS 17 Cb -0.08 -3.13 0.77 0.00 -0.52 0.00 0.00 37.83 34.87 1b8z s LYS 17 CO 0.18 -0.05 1.92 0.87 -0.92 0.00 0.00 175.35 177.36 1b8z h LYS 18 N 3.84 0.71 -0.19 1.68 1.57 -1.92 -1.78 116.57 120.48 1b8z h LYS 18 Ca -0.47 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.21 1b8z h LYS 18 Cb 1.22 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1b8z h LYS 18 CO 0.68 0.47 -0.13 1.57 -0.57 0.00 0.00 179.45 181.46 1b8z h LYS 19 N 0.73 0.31 -0.20 3.15 2.10 -1.99 0.20 116.57 120.88 1b8z h LYS 19 Ca 0.36 -0.08 -0.21 0.00 -2.00 0.00 0.00 60.65 58.72 1b8z h LYS 19 Cb 0.44 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1b8z h LYS 19 CO -0.14 0.45 -0.70 -0.44 -2.00 0.00 0.00 179.45 176.63 1b8z h ASP 20 N 0.29 0.96 -0.55 7.07 3.32 -1.73 -1.98 116.42 123.81 1b8z h ASP 20 Ca 0.06 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.46 1b8z h ASP 20 Cb 0.42 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1b8z h ASP 20 CO 0.02 1.39 0.14 0.58 -1.72 0.00 0.00 179.24 179.66 1b8z h VAL 21 N 0.58 1.24 -0.64 -1.35 2.07 -1.10 -0.72 116.25 116.34 1b8z h VAL 21 Ca -0.03 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1b8z h VAL 21 Cb 1.32 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1b8z h VAL 21 CO 0.15 0.32 0.16 0.50 0.02 0.00 0.00 177.57 178.72 1b8z h LYS 22 N 0.77 1.01 -0.38 1.57 3.64 -0.88 0.21 116.57 122.51 1b8z h LYS 22 Ca 0.17 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1b8z h LYS 22 Cb 0.33 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1b8z h LYS 22 CO 0.00 0.89 0.12 1.25 -2.27 0.00 0.00 179.45 179.44 1b8z h LEU 23 N 0.96 0.55 -0.27 5.20 5.85 -1.10 0.56 115.31 127.06 1b8z h LEU 23 Ca 0.21 -0.20 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1b8z h LEU 23 Cb 0.33 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1b8z h LEU 23 CO -0.00 0.60 -0.59 0.40 -0.34 0.00 0.00 178.44 178.51 1b8z h ILE 24 N 0.46 1.27 -0.34 4.05 2.04 -0.84 -0.75 117.51 123.40 1b8z h ILE 24 Ca 0.12 -1.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 1b8z h ILE 24 Cb 0.25 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1b8z h ILE 24 CO -0.00 0.58 0.19 0.25 0.00 0.00 0.00 178.15 179.17 1b8z h LEU 25 N 0.65 0.42 -1.02 1.44 5.85 -0.45 0.99 115.31 123.20 1b8z h LEU 25 Ca 0.00 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1b8z h LEU 25 Cb 1.21 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1b8z h LEU 25 CO 0.13 0.37 0.19 0.44 -0.34 0.00 0.00 178.44 179.23 1b8z h ASP 26 N 0.43 0.83 -0.18 1.25 3.32 -0.74 -0.87 116.42 120.47 1b8z h ASP 26 Ca 0.12 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1b8z h ASP 26 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1b8z h ASP 26 CO -0.02 0.78 -0.35 0.74 -1.72 0.00 0.00 179.24 178.67 1b8z h THR 27 N 0.87 1.29 -0.19 0.35 2.02 -0.67 0.08 112.91 116.65 1b8z h THR 27 Ca 0.20 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 1b8z h THR 27 Cb 0.25 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1b8z h THR 27 CO -0.01 0.48 0.11 0.40 0.37 0.00 0.00 175.52 176.87 1b8z h ILE 28 N 0.58 1.10 -0.63 3.11 2.04 -0.28 -0.02 117.51 123.40 1b8z h ILE 28 Ca 0.06 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1b8z h ILE 28 Cb 0.86 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1b8z h ILE 28 CO 0.08 0.09 0.22 -0.07 0.00 0.00 0.00 178.15 178.47 1b8z h LEU 29 N 0.22 0.87 -0.52 1.44 3.38 -0.90 -1.29 115.31 118.50 1b8z h LEU 29 Ca 0.07 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1b8z h LEU 29 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1b8z h LEU 29 CO -0.01 0.80 -0.09 -0.08 0.09 0.00 0.00 178.44 179.14 1b8z h GLU 30 N 0.92 0.98 -0.41 1.13 4.81 -0.83 -1.30 114.58 119.88 1b8z h GLU 30 Ca 0.21 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1b8z h GLU 30 Cb 0.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1b8z h GLU 30 CO -0.01 1.03 0.04 1.15 -0.73 0.00 0.00 179.01 180.49 1b8z h THR 31 N 0.85 1.25 -0.50 0.32 2.02 -0.56 0.27 112.91 116.56 1b8z h THR 31 Ca 0.14 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1b8z h THR 31 Cb 0.65 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1b8z h THR 31 CO 0.05 0.32 0.20 0.40 0.37 0.00 0.00 175.52 176.86 1b8z h ILE 32 N 0.55 1.21 -0.58 3.11 2.04 -1.17 -1.64 117.51 121.03 1b8z h ILE 32 Ca 0.12 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1b8z h ILE 32 Cb 0.42 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1b8z h ILE 32 CO 0.01 0.25 0.29 0.74 0.00 0.00 0.00 178.15 179.44 1b8z h THR 33 N 0.66 1.20 -0.59 -0.27 2.02 -0.99 -1.24 112.91 113.70 1b8z h THR 33 Ca 0.17 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1b8z h THR 33 Cb 0.20 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1b8z h THR 33 CO -0.01 0.23 0.16 -0.33 0.37 0.00 0.00 175.52 175.94 1b8z h GLU 34 N 0.78 0.94 -0.31 6.66 5.08 -0.81 -0.74 114.58 126.18 1b8z h GLU 34 Ca 0.20 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b8z h GLU 34 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1b8z h GLU 34 CO -0.03 0.85 0.19 0.00 -1.00 0.00 0.00 179.01 179.02 1b8z h ALA 35 N 1.04 0.39 -0.28 3.43 0.00 -0.95 -2.60 119.26 120.29 1b8z h ALA 35 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1b8z h ALA 35 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1b8z h ALA 35 CO -0.00 -0.11 -0.03 -0.07 0.00 0.00 0.00 179.25 179.04 1b8z h LEU 36 N 0.40 0.41 -1.52 0.00 3.38 -1.00 -0.32 115.31 116.67 1b8z h LEU 36 Ca 0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1b8z h LEU 36 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1b8z h LEU 36 CO -0.02 0.51 -0.24 0.00 0.09 0.00 0.00 178.44 178.78 1b8z h ALA 37 N 1.55 1.30 -0.16 1.53 0.00 -0.78 -1.36 119.26 121.34 1b8z h ALA 37 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1b8z h ALA 37 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1b8z h ALA 37 CO 0.01 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.19 1b8z n LYS 38 N -3.81 1.88 -1.03 0.00 5.02 -0.78 -4.94 118.16 114.50 1b8z n LYS 38 Ca -0.02 -1.32 -0.01 0.00 -2.02 0.00 0.00 58.31 54.95 1b8z n LYS 38 Cb 0.33 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1b8z n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b8z n GLY 39 N 1.21 0.49 3.88 0.72 0.00 -0.51 -5.04 105.19 105.95 1b8z n GLY 39 Ca 0.17 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1b8z n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b8z s GLU 40 N -1.07 3.60 0.07 1.61 2.12 -0.20 -4.84 118.70 119.99 1b8z s GLU 40 Ca 0.00 0.54 -0.04 0.00 0.36 0.00 0.00 54.97 55.83 1b8z s GLU 40 Cb 0.00 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.14 1b8z s GLU 40 CO 0.00 -0.40 0.28 0.21 -0.54 0.00 0.00 175.26 174.81 1b8z s LYS 41 N -4.91 3.54 -0.30 4.30 2.20 -1.26 -4.13 119.74 119.18 1b8z s LYS 41 Ca 0.52 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 1b8z s LYS 41 Cb -0.11 -2.99 0.08 0.00 -1.51 0.00 0.00 37.83 33.30 1b8z s LYS 41 CO 0.49 0.58 -0.02 0.08 -0.36 0.00 0.00 175.35 176.11 1b8z s VAL 42 N -1.49 2.17 -0.28 4.02 1.01 0.11 -4.98 120.40 120.96 1b8z s VAL 42 Ca 0.34 -1.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.28 1b8z s VAL 42 Cb -0.13 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1b8z s VAL 42 CO 0.23 -0.33 0.09 -1.58 0.00 0.00 0.00 175.10 173.52 1b8z s GLN 43 N 1.03 3.35 -0.33 2.72 0.74 -1.26 -0.28 119.66 125.63 1b8z s GLN 43 Ca 0.01 -0.69 -0.03 0.00 0.05 0.00 0.00 55.36 54.70 1b8z s GLN 43 Cb -0.19 -3.40 0.06 0.00 1.10 0.00 0.00 33.01 30.57 1b8z s GLN 43 CO -0.07 -0.35 0.06 0.42 -0.55 0.00 0.00 175.29 174.81 1b8z s ILE 44 N 1.57 3.28 0.17 -2.34 1.01 0.31 -5.00 121.20 120.20 1b8z s ILE 44 Ca 0.04 -1.40 -0.33 0.00 0.00 0.00 0.00 60.65 58.96 1b8z s ILE 44 Cb -0.16 -2.93 -0.15 0.00 0.01 0.00 0.00 42.46 39.23 1b8z s ILE 44 CO 0.04 -0.21 1.39 0.55 0.00 0.00 0.00 174.94 176.71 1b8z n VAL 45 N 4.68 0.49 -0.97 2.92 3.14 -1.26 -1.50 118.33 125.82 1b8z n VAL 45 Ca -0.11 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1b8z n VAL 45 Cb 0.43 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 1b8z n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b8z n GLY 46 N 2.55 0.62 1.82 7.55 0.00 -1.26 -4.79 105.19 111.69 1b8z n GLY 46 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1b8z n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1b8z n PHE 47 N -2.75 -1.01 -1.30 1.61 7.35 -0.56 -4.31 117.46 116.49 1b8z n PHE 47 Ca 0.00 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1b8z n PHE 47 Cb 0.00 0.45 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1b8z n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1b8z n GLY 48 N 1.87 -2.40 3.26 7.13 0.00 -0.62 -0.61 105.19 113.81 1b8z n GLY 48 Ca 0.00 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1b8z n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b8z s SER 49 N -1.31 2.57 -0.15 1.61 1.04 -0.22 -0.53 113.70 116.71 1b8z s SER 49 Ca 0.00 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.88 1b8z s SER 49 Cb 0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 1b8z s SER 49 CO 0.00 0.19 0.03 -0.36 0.98 0.00 0.00 173.24 174.08 1b8z s PHE 50 N -0.74 3.19 0.24 5.02 0.40 0.62 -0.77 117.98 125.94 1b8z s PHE 50 Ca 0.08 0.03 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1b8z s PHE 50 Cb -0.09 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 1b8z s PHE 50 CO 0.01 0.22 0.40 -1.83 0.70 0.00 0.00 175.22 174.72 1b8z s GLU 51 N -0.02 1.48 0.35 0.44 -1.05 0.16 -0.71 118.70 119.35 1b8z s GLU 51 Ca 0.04 -1.34 0.09 0.00 -0.15 0.00 0.00 54.97 53.61 1b8z s GLU 51 Cb -0.13 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1b8z s GLU 51 CO 0.02 -0.59 0.04 0.08 0.95 0.00 0.00 175.26 175.75 1b8z s VAL 52 N -4.03 2.57 0.00 1.83 1.01 -1.26 0.12 120.40 120.64 1b8z s VAL 52 Ca 0.26 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.32 1b8z s VAL 52 Cb 0.01 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1b8z s VAL 52 CO 0.10 -0.16 0.00 1.33 0.00 0.00 0.00 175.10 176.37 1b8z n VAL 76 N -1.00 0.00 -2.30 2.92 0.24 -1.26 -4.97 118.33 111.96 1b8z n VAL 76 Ca -0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.85 1b8z n VAL 76 Cb 0.63 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 1b8z n VAL 76 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1b8z s PRO 77 N 0.00 4.46 0.04 7.34 0.04 -1.26 -5.05 135.00 140.58 1b8z s PRO 77 Ca 0.00 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1b8z s PRO 77 Cb 0.00 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 1b8z s PRO 77 CO 0.00 -0.10 -0.08 0.21 0.04 0.00 0.00 177.00 177.07 1b8z s LYS 78 N -0.68 0.53 -0.11 4.56 2.20 0.12 -4.99 119.74 121.36 1b8z s LYS 78 Ca 0.52 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1b8z s LYS 78 Cb -0.35 -0.30 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 1b8z s LYS 78 CO 0.41 0.05 -0.22 0.12 -0.36 0.00 0.00 175.35 175.35 1b8z s PHE 79 N -1.34 2.51 -0.35 4.03 5.36 -1.26 -0.67 117.98 126.26 1b8z s PHE 79 Ca -0.10 -1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 54.71 1b8z s PHE 79 Cb -0.10 -1.69 0.06 0.00 -0.34 0.00 0.00 43.02 40.95 1b8z s PHE 79 CO 0.00 -0.48 0.11 0.21 -1.46 0.00 0.00 175.22 173.60 1b8z s LYS 80 N 0.55 2.43 0.46 10.12 2.20 0.05 -4.97 119.74 130.59 1b8z s LYS 80 Ca -0.14 -1.37 -0.24 0.00 -0.36 0.00 0.00 55.97 53.86 1b8z s LYS 80 Cb -0.17 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.64 1b8z s LYS 80 CO 0.04 -0.77 1.37 -1.25 -0.36 0.00 0.00 175.35 174.39 1b8z s PRO 81 N 1.30 3.62 0.70 4.03 0.04 -1.26 -1.06 135.00 142.38 1b8z s PRO 81 Ca -0.00 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 1b8z s PRO 81 Cb -0.21 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.78 1b8z s PRO 81 CO 0.00 -0.82 1.08 0.20 0.04 0.00 0.00 177.00 177.50 1b8z s GLY 82 N -0.70 1.62 0.14 0.56 0.00 0.21 -4.87 107.32 104.28 1b8z s GLY 82 Ca 0.63 -0.43 -0.19 0.00 0.00 0.00 0.00 44.72 44.72 1b8z s GLY 82 CO 0.52 -0.06 1.70 0.50 0.00 0.00 0.00 173.10 175.75 1b8z h LYS 83 N -0.63 0.01 -0.58 2.90 1.57 -1.95 -1.65 116.57 116.24 1b8z h LYS 83 Ca -0.45 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1b8z h LYS 83 Cb 1.26 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.52 1b8z h LYS 83 CO 0.64 0.01 0.31 0.00 -0.57 0.00 0.00 179.45 179.83 1b8z h ALA 84 N 1.24 0.76 -0.27 3.86 0.00 -1.92 0.04 119.26 122.97 1b8z h ALA 84 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1b8z h ALA 84 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1b8z h ALA 84 CO -0.24 -0.03 0.05 1.25 0.00 0.00 0.00 179.25 180.28 1b8z h LEU 85 N 0.59 0.42 -0.79 0.00 5.85 -1.65 -1.88 115.31 117.85 1b8z h LEU 85 Ca 0.26 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1b8z h LEU 85 Cb 0.16 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1b8z h LEU 85 CO -0.17 0.56 0.48 0.11 -0.34 0.00 0.00 178.44 179.08 1b8z h LYS 86 N 0.26 0.87 -0.58 1.25 1.57 -0.86 -2.07 116.57 117.00 1b8z h LYS 86 Ca 0.08 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1b8z h LYS 86 Cb 0.32 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1b8z h LYS 86 CO 0.00 0.57 0.02 0.93 -0.57 0.00 0.00 179.45 180.41 1b8z h GLU 87 N 0.89 0.99 0.00 3.15 5.08 -0.86 -1.97 114.58 121.86 1b8z h GLU 87 Ca 0.34 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1b8z h GLU 87 Cb 0.14 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1b8z h GLU 87 CO -0.16 0.96 -0.38 0.87 -1.00 0.00 0.00 179.01 179.30 1b8z h LYS 88 N 0.92 0.00 -0.01 2.33 1.57 -0.69 -3.22 116.57 117.46 1b8z h LYS 88 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1b8z h LYS 88 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1b8z h LYS 88 CO 0.02 0.38 -0.52 1.33 -0.57 0.00 0.00 179.45 180.10 1b8z n VAL 89 N -3.88 0.00 0.01 0.50 0.24 -0.84 -5.11 118.33 109.25 1b8z n VAL 89 Ca -0.01 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1b8z n VAL 89 Cb 0.44 1.15 0.01 0.00 -1.47 0.00 0.00 33.84 33.97 1b8z n VAL 89 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98