#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8z n ASN 2 N 0.00 2.43 -0.34 6.12 0.23 -1.26 -4.95 115.26 117.49 1b8z n ASN 2 Ca 0.00 -2.71 -0.04 0.00 -0.53 0.00 0.00 54.58 51.31 1b8z n ASN 2 Cb 0.00 -0.23 0.09 0.00 -2.08 0.00 0.00 39.78 37.57 1b8z n ASN 2 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1b8z h LYS 3 N 0.00 1.27 -0.55 -3.83 3.64 -2.05 -1.17 116.57 113.87 1b8z h LYS 3 Ca -0.31 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1b8z h LYS 3 Cb 1.25 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1b8z h LYS 3 CO 0.47 0.91 0.29 -0.22 -2.27 0.00 0.00 179.45 178.62 1b8z h LYS 4 N 1.28 0.78 -0.50 1.90 3.64 -2.00 -0.77 116.57 120.90 1b8z h LYS 4 Ca 0.33 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1b8z h LYS 4 Cb -0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1b8z h LYS 4 CO -0.06 0.61 -0.10 0.93 -2.27 0.00 0.00 179.45 178.56 1b8z h GLU 5 N 0.75 0.92 -0.27 1.90 5.08 -1.87 -1.57 114.58 119.52 1b8z h GLU 5 Ca 0.19 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1b8z h GLU 5 Cb 0.07 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1b8z h GLU 5 CO -0.03 0.98 0.08 1.25 -1.00 0.00 0.00 179.01 180.28 1b8z h LEU 6 N 0.83 0.06 -0.39 1.33 5.85 -0.78 -1.05 115.31 121.17 1b8z h LEU 6 Ca 0.13 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1b8z h LEU 6 Cb 0.63 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1b8z h LEU 6 CO 0.04 0.07 0.22 0.40 -0.34 0.00 0.00 178.44 178.83 1b8z h ILE 7 N 0.19 1.02 -0.79 4.05 2.04 -0.89 -0.45 117.51 122.69 1b8z h ILE 7 Ca 0.12 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1b8z h ILE 7 Cb 0.10 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1b8z h ILE 7 CO -0.14 0.08 0.30 0.44 0.00 0.00 0.00 178.15 178.83 1b8z h ASP 8 N 0.44 1.10 -0.29 1.72 3.32 -0.98 -0.28 116.42 121.44 1b8z h ASP 8 Ca 0.16 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1b8z h ASP 8 Cb 0.03 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1b8z h ASP 8 CO -0.08 0.98 -0.07 0.03 -1.72 0.00 0.00 179.24 178.38 1b8z h ARG 9 N 1.15 0.55 -0.55 3.56 3.08 -0.97 -1.86 114.38 119.34 1b8z h ARG 9 Ca 0.26 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1b8z h ARG 9 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1b8z h ARG 9 CO -0.02 0.75 -0.03 0.28 -1.07 0.00 0.00 179.97 179.88 1b8z h VAL 10 N 0.31 1.27 -0.75 2.04 2.07 -0.85 -1.81 116.25 118.54 1b8z h VAL 10 Ca 0.07 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1b8z h VAL 10 Cb 0.54 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1b8z h VAL 10 CO 0.03 0.41 0.43 0.00 0.02 0.00 0.00 177.57 178.46 1b8z h ALA 11 N 0.95 1.35 -0.20 1.67 0.00 -0.94 -0.28 119.26 121.81 1b8z h ALA 11 Ca 0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1b8z h ALA 11 Cb 0.58 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b8z h ALA 11 CO 0.03 0.55 -0.23 -0.22 0.00 0.00 0.00 179.25 179.38 1b8z h LYS 12 N 1.03 0.52 -0.53 0.00 3.64 -1.11 -1.01 116.57 119.12 1b8z h LYS 12 Ca 0.27 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1b8z h LYS 12 Cb -0.00 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1b8z h LYS 12 CO -0.05 0.87 -0.04 0.87 -2.27 0.00 0.00 179.45 178.84 1b8z h LYS 13 N 0.19 0.96 -0.00 1.90 1.57 -1.04 -2.79 116.57 117.35 1b8z h LYS 13 Ca 0.03 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1b8z h LYS 13 Cb 0.79 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1b8z h LYS 13 CO 0.06 0.99 -0.26 0.00 -0.57 0.00 0.00 179.45 179.66 1b8z n ALA 14 N -2.47 3.03 -3.14 3.86 0.00 -0.14 -4.94 120.51 116.71 1b8z n ALA 14 Ca 0.01 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 52.99 1b8z n ALA 14 Cb 0.35 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 1.41 -0.17 3.58 0.00 0.00 -0.48 -5.01 105.19 104.52 1b8z n GLY 15 Ca 0.09 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.16 2.99 0.33 4.61 0.00 -0.63 -5.05 121.76 120.84 1b8z s ALA 16 Ca 0.36 -1.60 -0.28 0.00 0.00 0.00 0.00 51.96 50.44 1b8z s ALA 16 Cb -0.16 -0.68 -0.10 0.00 0.00 0.00 0.00 23.12 22.19 1b8z s ALA 16 CO 0.45 0.37 1.23 0.15 0.00 0.00 0.00 175.76 177.95 1b8z s LYS 17 N -3.23 4.40 0.35 0.00 1.02 -1.26 -4.61 119.74 116.41 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 -0.07 -3.05 0.76 0.00 -0.52 0.00 0.00 37.83 34.94 1b8z s LYS 17 CO 0.17 -0.09 1.91 0.87 -0.92 0.00 0.00 175.35 177.29 1b8z h LYS 18 N 3.41 0.73 -0.29 1.68 1.57 -1.92 -1.68 116.57 120.07 1b8z h LYS 18 Ca -0.48 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1b8z h LYS 18 Cb 1.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1b8z h LYS 18 CO 0.65 0.48 -0.02 1.57 -0.57 0.00 0.00 179.45 181.57 1b8z h LYS 19 N 0.75 0.45 -0.01 3.15 2.10 -1.99 0.43 116.57 121.46 1b8z h LYS 19 Ca 0.38 -0.09 -0.25 0.00 -2.00 0.00 0.00 60.65 58.70 1b8z h LYS 19 Cb 0.48 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1b8z h LYS 19 CO -0.15 0.49 -0.98 -0.44 -2.00 0.00 0.00 179.45 176.37 1b8z h ASP 20 N 0.43 0.73 -0.41 7.07 3.32 -1.71 -2.09 116.42 123.77 1b8z h ASP 20 Ca 0.09 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1b8z h ASP 20 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1b8z h ASP 20 CO 0.01 1.38 0.18 0.58 -1.72 0.00 0.00 179.24 179.67 1b8z h VAL 21 N 0.32 1.19 -0.82 -1.35 2.07 -1.11 -0.58 116.25 115.98 1b8z h VAL 21 Ca -0.10 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1b8z h VAL 21 Cb 1.62 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1b8z h VAL 21 CO 0.18 0.20 0.40 0.50 0.02 0.00 0.00 177.57 178.88 1b8z h LYS 22 N 0.51 1.17 -0.48 1.57 3.64 -0.86 0.19 116.57 122.31 1b8z h LYS 22 Ca 0.14 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1b8z h LYS 22 Cb 0.15 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1b8z h LYS 22 CO -0.01 0.89 0.25 1.25 -2.27 0.00 0.00 179.45 179.56 1b8z h LEU 23 N 1.15 0.62 -0.26 5.20 5.85 -1.14 0.82 115.31 127.55 1b8z h LEU 23 Ca 0.28 -0.11 -0.20 0.00 0.84 0.00 0.00 57.88 58.69 1b8z h LEU 23 Cb 0.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1b8z h LEU 23 CO -0.04 0.55 -0.71 0.40 -0.34 0.00 0.00 178.44 178.29 1b8z h ILE 24 N 0.64 1.30 -0.34 4.05 2.04 -0.78 -0.38 117.51 124.04 1b8z h ILE 24 Ca 0.17 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 1b8z h ILE 24 Cb 0.08 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1b8z h ILE 24 CO -0.02 0.61 0.17 0.25 0.00 0.00 0.00 178.15 179.16 1b8z h LEU 25 N 0.50 0.45 -1.00 1.44 5.85 -0.47 0.89 115.31 122.96 1b8z h LEU 25 Ca -0.03 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1b8z h LEU 25 Cb 1.32 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1b8z h LEU 25 CO 0.14 0.44 0.20 0.44 -0.34 0.00 0.00 178.44 179.32 1b8z h ASP 26 N 0.42 0.85 -0.24 1.25 3.32 -0.68 -0.79 116.42 120.55 1b8z h ASP 26 Ca 0.12 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1b8z h ASP 26 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1b8z h ASP 26 CO -0.02 0.79 -0.34 0.74 -1.72 0.00 0.00 179.24 178.70 1b8z h THR 27 N 0.89 1.28 -0.07 0.35 2.02 -0.58 -0.03 112.91 116.77 1b8z h THR 27 Ca 0.20 -1.49 0.01 0.00 0.77 0.00 0.00 66.41 65.90 1b8z h THR 27 Cb 0.24 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1b8z h THR 27 CO -0.01 0.49 0.02 0.40 0.37 0.00 0.00 175.52 176.79 1b8z h ILE 28 N 0.64 0.98 -0.66 3.11 2.04 -0.36 0.99 117.51 124.24 1b8z h ILE 28 Ca 0.07 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1b8z h ILE 28 Cb 0.88 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1b8z h ILE 28 CO 0.08 0.01 0.21 -0.07 0.00 0.00 0.00 178.15 178.37 1b8z h LEU 29 N 0.06 0.95 -0.59 1.44 3.38 -0.92 -1.02 115.31 118.61 1b8z h LEU 29 Ca 0.03 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1b8z h LEU 29 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1b8z h LEU 29 CO -0.04 0.89 -0.14 -0.33 0.09 0.00 0.00 178.44 178.91 1b8z h GLU 30 N 0.98 0.98 -0.48 1.13 5.08 -0.83 -1.36 114.58 120.09 1b8z h GLU 30 Ca 0.22 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1b8z h GLU 30 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1b8z h GLU 30 CO -0.01 1.05 0.02 1.15 -1.00 0.00 0.00 179.01 180.22 1b8z h THR 31 N 0.87 1.26 -0.44 1.13 2.02 -0.30 -0.12 112.91 117.32 1b8z h THR 31 Ca 0.13 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 1b8z h THR 31 Cb 0.70 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1b8z h THR 31 CO 0.05 0.36 0.12 0.40 0.37 0.00 0.00 175.52 176.82 1b8z h ILE 32 N 0.68 1.23 -0.50 3.11 2.04 -1.12 -2.01 117.51 120.95 1b8z h ILE 32 Ca 0.14 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1b8z h ILE 32 Cb 0.48 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1b8z h ILE 32 CO 0.02 0.28 0.33 0.74 0.00 0.00 0.00 178.15 179.51 1b8z h THR 33 N 0.58 1.13 -0.70 -0.27 2.02 -1.01 -1.42 112.91 113.24 1b8z h THR 33 Ca 0.14 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1b8z h THR 33 Cb 0.30 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1b8z h THR 33 CO -0.00 0.13 0.30 -0.33 0.37 0.00 0.00 175.52 175.99 1b8z h GLU 34 N 0.68 1.04 -0.51 6.66 5.08 -0.94 -0.61 114.58 125.97 1b8z h GLU 34 Ca 0.18 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1b8z h GLU 34 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1b8z h GLU 34 CO -0.04 0.84 0.24 0.00 -1.00 0.00 0.00 179.01 179.06 1b8z h ALA 35 N 1.14 0.66 -0.36 3.43 0.00 -0.95 -2.48 119.26 120.70 1b8z h ALA 35 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1b8z h ALA 35 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1b8z h ALA 35 CO -0.02 0.23 -0.05 -0.07 0.00 0.00 0.00 179.25 179.33 1b8z h LEU 36 N 0.68 0.57 -1.51 0.00 3.38 -0.99 0.34 115.31 117.78 1b8z h LEU 36 Ca 0.18 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1b8z h LEU 36 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1b8z h LEU 36 CO -0.02 0.68 -0.19 0.00 0.09 0.00 0.00 178.44 178.99 1b8z h ALA 37 N 1.39 1.60 -0.23 1.53 0.00 -0.68 -1.49 119.26 121.37 1b8z h ALA 37 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1b8z h ALA 37 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1b8z h ALA 37 CO 0.02 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.20 1b8z n LYS 38 N -4.28 1.82 -1.04 0.00 5.02 -0.94 -4.93 118.16 113.82 1b8z n LYS 38 Ca -0.02 -1.25 -0.01 0.00 -2.02 0.00 0.00 58.31 55.01 1b8z n LYS 38 Cb 0.27 -1.38 -0.01 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 1.15 0.51 3.88 0.72 0.00 -0.56 -5.04 105.19 105.86 1b8z n GLY 39 Ca 0.16 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1b8z n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b8z s GLU 40 N -1.11 3.61 0.07 1.61 2.02 0.06 -4.83 118.70 120.13 1b8z s GLU 40 Ca 0.00 0.52 -0.01 0.00 0.02 0.00 0.00 54.97 55.50 1b8z s GLU 40 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 1b8z s GLU 40 CO 0.00 -0.37 0.23 0.21 0.02 0.00 0.00 175.26 175.35 1b8z s LYS 41 N -4.85 3.47 -0.31 1.61 2.20 -1.26 -4.09 119.74 116.50 1b8z s LYS 41 Ca 0.52 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1b8z s LYS 41 Cb -0.11 -3.02 0.08 0.00 -1.51 0.00 0.00 37.83 33.28 1b8z s LYS 41 CO 0.48 0.59 -0.01 0.08 -0.36 0.00 0.00 175.35 176.13 1b8z s VAL 42 N -1.52 2.18 -0.28 4.02 1.01 0.21 -4.98 120.40 121.03 1b8z s VAL 42 Ca 0.35 -2.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.23 1b8z s VAL 42 Cb -0.13 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1b8z s VAL 42 CO 0.27 -0.37 0.10 -1.58 0.00 0.00 0.00 175.10 173.52 1b8z s GLN 43 N 1.01 3.39 -0.33 2.72 0.74 -1.26 -0.44 119.66 125.48 1b8z s GLN 43 Ca 0.03 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 54.76 1b8z s GLN 43 Cb -0.19 -3.43 0.07 0.00 1.10 0.00 0.00 33.01 30.55 1b8z s GLN 43 CO -0.07 -0.34 0.05 0.42 -0.55 0.00 0.00 175.29 174.80 1b8z s ILE 44 N 1.59 3.01 0.31 -2.34 1.01 0.00 -5.00 121.20 119.77 1b8z s ILE 44 Ca 0.05 -1.61 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 1b8z s ILE 44 Cb -0.16 -2.84 -0.12 0.00 0.01 0.00 0.00 42.46 39.34 1b8z s ILE 44 CO 0.04 -0.28 1.36 0.52 0.00 0.00 0.00 174.94 176.59 1b8z n VAL 45 N 4.59 1.59 -0.98 2.92 0.31 -1.26 -1.62 118.33 123.89 1b8z n VAL 45 Ca -0.09 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1b8z n VAL 45 Cb 0.43 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1b8z n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b8z n GLY 46 N 1.30 0.62 2.00 2.92 0.00 -1.26 -4.79 105.19 105.99 1b8z n GLY 46 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.76 -1.98 -1.12 1.61 7.35 -0.64 -4.33 117.46 115.60 1b8z n PHE 47 Ca 0.00 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1b8z n PHE 47 Cb 0.00 0.62 0.00 0.00 0.35 0.00 0.00 39.48 40.45 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 1.44 -2.39 3.22 7.13 0.00 -0.67 -0.75 105.19 113.18 1b8z n GLY 48 Ca 0.00 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.16 2.38 -0.16 1.61 1.04 -0.11 -0.82 113.70 116.48 1b8z s SER 49 Ca 0.00 -0.42 -0.06 0.00 0.48 0.00 0.00 55.95 55.95 1b8z s SER 49 Cb 0.00 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 1b8z s SER 49 CO 0.00 0.21 0.04 -0.36 0.98 0.00 0.00 173.24 174.11 1b8z s PHE 50 N -0.59 3.22 0.28 5.02 0.40 0.41 -0.52 117.98 126.20 1b8z s PHE 50 Ca 0.08 0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.39 1b8z s PHE 50 Cb -0.08 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.43 1b8z s PHE 50 CO 0.00 0.20 0.42 -1.83 0.70 0.00 0.00 175.22 174.72 1b8z s GLU 51 N 0.11 1.63 0.32 0.44 -1.05 0.22 -0.62 118.70 119.75 1b8z s GLU 51 Ca 0.04 -1.50 0.10 0.00 -0.15 0.00 0.00 54.97 53.45 1b8z s GLU 51 Cb -0.12 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1b8z s GLU 51 CO 0.01 -0.66 -0.03 0.08 0.95 0.00 0.00 175.26 175.61 1b8z s VAL 52 N -3.67 2.72 0.00 1.83 1.01 -1.26 0.09 120.40 121.12 1b8z s VAL 52 Ca 0.28 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1b8z s VAL 52 Cb 0.01 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1b8z s VAL 52 CO 0.14 -0.27 0.00 1.33 0.00 0.00 0.00 175.10 176.30 1b8z n VAL 76 N -0.87 0.00 -2.05 2.92 0.24 -1.26 -4.98 118.33 112.33 1b8z n VAL 76 Ca -0.05 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.84 1b8z n VAL 76 Cb 0.61 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.96 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 4.30 0.03 7.34 0.04 -1.26 -5.03 135.00 140.41 1b8z s PRO 77 Ca 0.00 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1b8z s PRO 77 Cb 0.00 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 1b8z s PRO 77 CO 0.00 -0.31 -0.07 0.21 0.04 0.00 0.00 177.00 176.87 1b8z s LYS 78 N -1.28 0.48 -0.13 4.56 2.20 0.11 -4.99 119.74 120.70 1b8z s LYS 78 Ca 0.53 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1b8z s LYS 78 Cb -0.41 -0.30 0.00 0.00 -1.51 0.00 0.00 37.83 35.61 1b8z s LYS 78 CO 0.50 0.06 -0.21 0.12 -0.36 0.00 0.00 175.35 175.47 1b8z s PHE 79 N -1.05 2.66 -0.34 4.03 5.36 -1.26 -0.61 117.98 126.77 1b8z s PHE 79 Ca -0.07 -1.11 -0.04 0.00 -0.96 0.00 0.00 56.93 54.75 1b8z s PHE 79 Cb -0.08 -1.79 0.06 0.00 -0.34 0.00 0.00 43.02 40.87 1b8z s PHE 79 CO 0.00 -0.47 0.10 0.15 -1.46 0.00 0.00 175.22 173.54 1b8z s LYS 80 N 0.58 2.45 0.45 10.12 1.02 0.32 -4.97 119.74 129.71 1b8z s LYS 80 Ca -0.12 -1.34 -0.25 0.00 0.02 0.00 0.00 55.97 54.28 1b8z s LYS 80 Cb -0.16 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.65 1b8z s LYS 80 CO 0.03 -0.74 1.40 -1.25 -0.92 0.00 0.00 175.35 173.87 1b8z s PRO 81 N 1.31 3.69 0.74 -1.68 0.04 -1.26 -0.94 135.00 136.90 1b8z s PRO 81 Ca -0.01 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 1b8z s PRO 81 Cb -0.20 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.74 1b8z s PRO 81 CO 0.00 -0.79 1.10 0.20 0.04 0.00 0.00 177.00 177.56 1b8z s GLY 82 N -0.58 1.62 0.12 0.56 0.00 0.07 -4.87 107.32 104.24 1b8z s GLY 82 Ca 0.61 -0.56 -0.21 0.00 0.00 0.00 0.00 44.72 44.56 1b8z s GLY 82 CO 0.54 -0.14 1.70 0.50 0.00 0.00 0.00 173.10 175.70 1b8z h LYS 83 N -0.77 -0.06 -0.64 2.90 1.57 -1.95 -1.78 116.57 115.85 1b8z h LYS 83 Ca -0.45 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.40 1b8z h LYS 83 Cb 1.29 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.56 1b8z h LYS 83 CO 0.64 -0.04 0.33 0.00 -0.57 0.00 0.00 179.45 179.81 1b8z h ALA 84 N 1.06 0.85 -0.17 3.86 0.00 -1.92 0.06 119.26 122.99 1b8z h ALA 84 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1b8z h ALA 84 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1b8z h ALA 84 CO -0.17 -0.02 0.05 1.25 0.00 0.00 0.00 179.25 180.37 1b8z h LEU 85 N 0.61 0.25 -0.62 0.00 5.85 -1.67 -1.39 115.31 118.34 1b8z h LEU 85 Ca 0.29 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1b8z h LEU 85 Cb 0.22 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1b8z h LEU 85 CO -0.20 0.38 0.30 0.11 -0.34 0.00 0.00 178.44 178.69 1b8z h LYS 86 N 0.10 0.53 -0.71 1.25 1.57 -0.94 -0.93 116.57 117.45 1b8z h LYS 86 Ca 0.06 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1b8z h LYS 86 Cb 0.22 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1b8z h LYS 86 CO -0.00 0.35 0.24 1.49 -0.57 0.00 0.00 179.45 180.96 1b8z h GLU 87 N 0.54 1.09 0.00 3.15 4.57 -0.79 0.32 114.58 123.46 1b8z h GLU 87 Ca 0.29 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1b8z h GLU 87 Cb 0.26 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1b8z h GLU 87 CO -0.22 0.92 -0.30 -0.22 -1.18 0.00 0.00 179.01 178.00 1b8z h LYS 88 N 1.03 0.00 0.00 1.92 3.64 -0.66 -3.05 116.57 119.45 1b8z h LYS 88 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1b8z h LYS 88 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1b8z h LYS 88 CO -0.01 0.30 -1.64 0.28 -2.27 0.00 0.00 179.45 176.11 1b8z n VAL 89 N -3.63 0.08 0.00 2.00 0.31 -0.41 -5.10 118.33 111.59 1b8z n VAL 89 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1b8z n VAL 89 Cb 0.43 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1b8z n VAL 89 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68