#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg n SER 17 N 0.00 -3.69 -0.61 3.54 3.41 -1.26 -4.82 113.62 110.18 1fjg n SER 17 Ca 0.00 -0.29 0.06 0.00 -0.26 0.00 0.00 58.87 58.38 1fjg n SER 17 Cb 0.00 -3.07 0.12 0.00 -0.26 0.00 0.00 64.21 61.00 1fjg n SER 17 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1fjg n ARG 18 N -3.58 0.93 0.09 4.33 3.00 -1.26 -4.78 116.66 115.38 1fjg n ARG 18 Ca -0.03 -2.47 -0.04 0.00 -0.00 0.00 0.00 57.85 55.31 1fjg n ARG 18 Cb 0.55 -1.08 -0.02 0.00 0.00 0.00 0.00 32.46 31.91 1fjg n ARG 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1fjg h LYS 19 N 0.56 -0.23 -0.09 -0.14 -0.00 -1.93 -3.47 116.57 111.26 1fjg h LYS 19 Ca -0.05 0.02 0.27 0.00 -0.00 0.00 0.00 60.65 60.89 1fjg h LYS 19 Cb 1.24 0.05 -0.20 0.00 -0.00 0.00 0.00 32.23 33.33 1fjg h LYS 19 CO 0.02 -0.15 0.17 0.00 -0.00 0.00 0.00 179.45 179.49 1fjg s ALA 20 N -3.44 -4.12 0.12 0.07 0.00 -1.26 -5.13 121.76 108.00 1fjg s ALA 20 Ca -0.04 1.35 -0.35 0.00 0.00 0.00 0.00 51.96 52.93 1fjg s ALA 20 Cb 0.00 -2.75 -0.17 0.00 0.00 0.00 0.00 23.12 20.21 1fjg s ALA 20 CO 0.11 -1.81 1.21 1.63 0.00 0.00 0.00 175.76 176.90 1fjg n LYS 21 N 5.28 1.02 0.33 0.00 4.01 -1.26 -4.75 118.16 122.78 1fjg n LYS 21 Ca 0.00 0.36 0.13 0.00 -0.51 0.00 0.00 58.31 58.30 1fjg n LYS 21 Cb 0.56 -1.91 0.71 0.00 -0.51 0.00 0.00 35.03 33.88 1fjg n LYS 21 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1fjg h VAL 22 N 2.94 0.00 0.64 -0.18 2.07 -1.05 -1.82 116.25 118.85 1fjg h VAL 22 Ca -0.45 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1fjg h VAL 22 Cb 1.35 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1fjg h VAL 22 CO 0.73 0.00 -0.31 0.50 0.02 0.00 0.00 177.57 178.51 1fjg h LYS 23 N 0.00 -0.82 -0.16 1.57 3.64 -1.62 -3.29 116.57 115.89 1fjg h LYS 23 Ca 0.00 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1fjg h LYS 23 Cb 0.83 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.77 1fjg h LYS 23 CO 0.00 -0.52 -0.32 0.00 -2.27 0.00 0.00 179.45 176.34 1fjg h ALA 24 N -1.09 -0.35 0.00 5.00 0.00 -1.64 -2.82 119.26 118.37 1fjg h ALA 24 Ca -0.09 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.31 1fjg h ALA 24 Cb 0.68 0.61 0.05 0.00 0.00 0.00 0.00 17.79 19.14 1fjg h ALA 24 CO 0.14 -0.79 2.20 2.41 0.00 0.00 0.00 179.25 183.22 1fjg n THR 25 N -5.41 1.67 0.00 0.00 -1.04 -1.18 -4.62 114.28 103.70 1fjg n THR 25 Ca -0.03 -1.30 0.00 0.00 -2.04 0.00 0.00 64.05 60.68 1fjg n THR 25 Cb 0.33 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 1fjg n THR 25 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1fjg n LEU 26 N 6.75 0.00 0.00 -4.42 7.94 -1.06 -4.90 117.00 121.30 1fjg n LEU 26 Ca 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 1fjg n LEU 26 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 1fjg n LEU 26 CO 0.95 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.84 1fjg n GLY 27 N -0.55 -0.32 3.85 -3.96 0.00 -1.26 -4.96 105.19 97.97 1fjg n GLY 27 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1fjg n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fjg s GLU 28 N 0.00 3.44 -0.09 1.61 -1.05 -1.26 -5.05 118.70 116.30 1fjg s GLU 28 Ca 0.00 0.87 -0.31 0.00 -0.15 0.00 0.00 54.97 55.38 1fjg s GLU 28 Cb 0.00 -2.06 0.12 0.00 -0.44 0.00 0.00 34.13 31.75 1fjg s GLU 28 CO 0.00 -0.69 1.02 -0.59 0.95 0.00 0.00 175.26 175.94 1fjg s PHE 29 N -3.00 -0.27 -0.70 4.83 -0.12 -1.26 -5.11 117.98 112.35 1fjg s PHE 29 Ca 0.57 0.22 -0.20 0.00 -0.05 0.00 0.00 56.93 57.47 1fjg s PHE 29 Cb -0.12 0.52 0.11 0.00 -0.63 0.00 0.00 43.02 42.90 1fjg s PHE 29 CO 0.50 -0.40 0.87 0.34 -0.05 0.00 0.00 175.22 176.48 1fjg s ASP 30 N -2.18 6.31 0.66 1.98 2.15 -1.26 -4.88 116.67 119.45 1fjg s ASP 30 Ca 0.06 -1.53 0.22 0.00 0.43 0.00 0.00 52.55 51.73 1fjg s ASP 30 Cb -0.01 -2.35 1.19 0.00 -0.30 0.00 0.00 42.92 41.45 1fjg s ASP 30 CO -0.06 -1.16 1.67 -0.07 -0.17 0.00 0.00 175.17 175.38 1fjg h LEU 31 N 10.29 0.00 -0.72 -1.34 3.38 -1.99 0.50 115.31 125.44 1fjg h LEU 31 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1fjg h LEU 31 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1fjg h LEU 31 CO 1.10 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 178.49 1fjg n ARG 32 N -2.88 1.48 -2.70 1.13 0.63 -1.26 -4.46 116.66 108.60 1fjg n ARG 32 Ca 0.00 -0.71 -0.42 0.00 -0.92 0.00 0.00 57.85 55.80 1fjg n ARG 32 Cb 0.60 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 1fjg n ARG 32 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1fjg s ASP 33 N -1.71 6.18 -0.02 6.15 -1.08 0.18 -4.90 116.67 121.47 1fjg s ASP 33 Ca 0.34 -0.68 0.01 0.00 -0.52 0.00 0.00 52.55 51.70 1fjg s ASP 33 Cb 0.18 -2.49 0.06 0.00 -1.46 0.00 0.00 42.92 39.20 1fjg s ASP 33 CO 0.28 -1.63 0.65 0.00 0.52 0.00 0.00 175.17 174.99 1fjg n TYR 34 N 8.53 0.16 -0.08 -5.34 0.18 -1.26 -3.46 117.16 115.90 1fjg n TYR 34 Ca -0.00 -0.12 0.00 0.00 1.88 0.00 0.00 57.90 59.66 1fjg n TYR 34 Cb 0.47 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.28 1fjg n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1fjg n ARG 35 N 0.08 1.42 -1.26 -3.48 1.74 -1.26 -4.05 116.66 109.85 1fjg n ARG 35 Ca 0.02 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 1fjg n ARG 35 Cb 0.35 -0.16 -0.02 0.00 -1.02 0.00 0.00 32.46 31.60 1fjg n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1fjg n ASN 36 N -0.21 6.24 -0.21 0.55 4.05 -1.22 -4.70 115.26 119.75 1fjg n ASN 36 Ca 0.00 -2.58 -0.09 0.00 0.45 0.00 0.00 54.58 52.35 1fjg n ASN 36 Cb 0.02 -1.43 -0.07 0.00 1.23 0.00 0.00 39.78 39.52 1fjg n ASN 36 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1fjg h VAL 37 N 3.46 0.00 -0.85 3.44 2.07 -1.90 0.12 116.25 122.59 1fjg h VAL 37 Ca 0.68 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.54 1fjg h VAL 37 Cb 0.37 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.98 1fjg h VAL 37 CO 1.75 0.00 0.38 -1.84 0.02 0.00 0.00 177.57 177.88 1fjg n GLU 38 N -4.69 -0.05 -0.07 1.57 0.00 -1.26 -0.23 120.64 115.91 1fjg n GLU 38 Ca -0.01 1.19 -0.10 0.00 0.00 0.00 0.00 57.16 58.25 1fjg n GLU 38 Cb 0.23 -2.10 -0.08 0.00 0.00 0.00 0.00 31.44 29.50 1fjg n GLU 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1fjg h VAL 39 N 0.00 0.94 -0.44 3.84 3.04 -1.24 -3.38 116.25 119.01 1fjg h VAL 39 Ca 0.69 -1.77 0.09 0.00 -1.01 0.00 0.00 66.70 64.70 1fjg h VAL 39 Cb 1.76 1.84 -0.09 0.00 -2.01 0.00 0.00 31.29 32.79 1fjg h VAL 39 CO -0.68 0.32 -0.22 -0.07 -1.01 0.00 0.00 177.57 175.91 1fjg h LEU 40 N -1.00 -0.75 -0.83 3.16 3.38 0.80 -0.36 115.31 119.71 1fjg h LEU 40 Ca -0.05 0.17 0.33 0.00 0.09 0.00 0.00 57.88 58.42 1fjg h LEU 40 Cb 0.67 0.40 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1fjg h LEU 40 CO -0.03 -0.25 0.48 1.17 0.09 0.00 0.00 178.44 179.90 1fjg n LYS 41 N -5.39 -0.04 -0.18 1.13 4.81 0.68 0.10 118.16 119.28 1fjg n LYS 41 Ca 0.03 1.00 0.18 0.00 -0.87 0.00 0.00 58.31 58.65 1fjg n LYS 41 Cb 0.30 -1.85 0.54 0.00 0.02 0.00 0.00 35.03 34.05 1fjg n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fjg h ARG 42 N 0.00 0.33 -0.02 1.64 2.47 -1.24 -1.94 114.38 115.62 1fjg h ARG 42 Ca 0.64 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.34 1fjg h ARG 42 Cb 1.80 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 1fjg h ARG 42 CO -0.51 0.22 0.00 1.19 0.56 0.00 0.00 179.97 181.43 1fjg n PHE 43 N -4.46 0.02 -3.80 3.04 0.99 0.28 -4.85 117.46 108.68 1fjg n PHE 43 Ca 0.16 -0.01 -0.22 0.00 -0.00 0.00 0.00 57.45 57.38 1fjg n PHE 43 Cb 0.63 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.09 1fjg n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1fjg s LEU 44 N -1.93 4.23 0.00 4.37 1.43 -0.73 -0.97 118.68 125.07 1fjg s LEU 44 Ca 0.41 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1fjg s LEU 44 Cb 0.20 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1fjg s LEU 44 CO 0.33 -0.15 0.00 -1.54 0.23 0.00 0.00 176.35 175.23 1fjg n SER 45 N -1.52 0.00 0.00 2.29 3.41 -0.14 -4.83 113.62 112.83 1fjg n SER 45 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1fjg n SER 45 Cb 0.57 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1fjg n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fjg n GLU 46 N 0.00 0.57 -4.05 4.33 4.71 -1.26 -4.53 120.64 120.42 1fjg n GLU 46 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 1fjg n GLU 46 Cb 0.00 -1.03 -0.08 0.00 -1.01 0.00 0.00 31.44 29.32 1fjg n GLU 46 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1fjg s THR 47 N -2.00 0.07 -1.20 2.62 2.01 -1.26 -4.56 115.64 111.32 1fjg s THR 47 Ca 0.01 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.39 1fjg s THR 47 Cb 0.01 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1fjg s THR 47 CO 0.01 -0.33 0.23 0.61 -0.69 0.00 0.00 174.62 174.45 1fjg n GLY 48 N -0.18 0.38 3.74 4.40 0.00 -1.26 -4.74 105.19 107.54 1fjg n GLY 48 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1fjg n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjg s LYS 49 N -1.20 4.75 -0.14 1.61 1.02 -1.26 -4.59 119.74 119.93 1fjg s LYS 49 Ca 0.00 1.43 -0.29 0.00 0.02 0.00 0.00 55.97 57.12 1fjg s LYS 49 Cb 0.00 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1fjg s LYS 49 CO 0.00 0.39 1.29 0.42 -0.92 0.00 0.00 175.35 176.53 1fjg s ILE 50 N -0.65 4.21 0.52 2.17 1.01 -1.26 -0.97 121.20 126.22 1fjg s ILE 50 Ca 0.43 1.47 -0.23 0.00 0.00 0.00 0.00 60.65 62.32 1fjg s ILE 50 Cb -0.24 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 1fjg s ILE 50 CO 0.30 -0.11 1.33 0.18 0.00 0.00 0.00 174.94 176.64 1fjg n LEU 51 N 6.45 5.09 -4.57 2.97 4.77 -0.15 -4.95 117.00 126.62 1fjg n LEU 51 Ca 0.14 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.83 1fjg n LEU 51 Cb 0.45 -1.56 0.24 0.00 -2.33 0.00 0.00 43.42 40.23 1fjg n LEU 51 CO 0.56 -0.62 0.61 -2.84 -1.33 0.00 0.00 177.39 173.78 1fjg s PRO 52 N -2.70 -1.38 0.28 3.23 0.02 -1.26 -4.56 135.00 128.63 1fjg s PRO 52 Ca 0.69 -0.08 0.08 0.00 0.02 0.00 0.00 61.00 61.71 1fjg s PRO 52 Cb -0.44 -1.58 0.39 0.00 0.02 0.00 0.00 34.50 32.90 1fjg s PRO 52 CO 0.52 -3.81 1.64 0.00 -0.33 0.00 0.00 177.00 175.02 1fjg h ARG 53 N -2.65 0.13 -0.19 5.54 3.08 -1.95 0.06 114.38 118.40 1fjg h ARG 53 Ca -0.44 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 59.58 1fjg h ARG 53 Cb 1.29 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1fjg h ARG 53 CO 0.33 0.63 0.27 0.00 -1.07 0.00 0.00 179.97 180.13 1fjg h ARG 54 N 0.10 0.00 0.00 0.04 -0.00 -1.92 0.98 114.38 113.57 1fjg h ARG 54 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1fjg h ARG 54 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.95 1fjg h ARG 54 CO 0.08 0.00 -0.51 0.54 0.00 0.00 0.00 179.97 180.07 1fjg n ARG 55 N -3.56 0.34 -0.23 0.04 5.12 -0.86 -4.41 116.66 113.10 1fjg n ARG 55 Ca 0.02 0.30 0.18 0.00 -1.93 0.00 0.00 57.85 56.42 1fjg n ARG 55 Cb 0.38 -1.27 0.51 0.00 -1.16 0.00 0.00 32.46 30.92 1fjg n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1fjg h THR 56 N -0.69 0.70 0.00 0.55 1.35 -0.82 -0.48 112.91 113.52 1fjg h THR 56 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1fjg h THR 56 Cb 0.51 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1fjg h THR 56 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1fjg n GLY 57 N -1.52 0.50 0.00 5.82 0.00 0.34 -1.92 105.19 108.41 1fjg n GLY 57 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1fjg n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fjg n LEU 58 N 0.00 0.00 -3.70 0.99 4.77 -1.26 -4.86 117.00 112.94 1fjg n LEU 58 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1fjg n LEU 58 Cb 0.09 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1fjg n LEU 58 CO 0.00 -0.05 0.12 -0.94 -1.33 0.00 0.00 177.39 175.19 1fjg s SER 59 N -1.47 -0.32 0.01 -1.43 1.04 -1.26 -4.92 113.70 105.35 1fjg s SER 59 Ca 0.00 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 1fjg s SER 59 Cb 0.00 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1fjg s SER 59 CO 0.00 -0.45 0.13 0.61 0.98 0.00 0.00 173.24 174.51 1fjg n GLY 60 N 1.35 -0.28 0.05 7.32 0.00 -1.26 0.77 105.19 113.14 1fjg n GLY 60 Ca -0.20 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1fjg n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fjg h LYS 61 N 0.00 0.02 0.49 1.61 3.64 -1.99 -2.13 116.57 118.21 1fjg h LYS 61 Ca 0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1fjg h LYS 61 Cb 0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1fjg h LYS 61 CO -0.06 0.24 -0.38 0.93 -2.27 0.00 0.00 179.45 177.91 1fjg h GLU 62 N -0.20 -0.81 -0.97 1.90 5.08 -0.04 -2.76 114.58 116.78 1fjg h GLU 62 Ca 0.00 0.06 0.30 0.00 -1.00 0.00 0.00 59.36 58.72 1fjg h GLU 62 Cb 0.23 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 29.52 1fjg h GLU 62 CO 0.00 -0.54 0.49 0.37 -1.00 0.00 0.00 179.01 178.33 1fjg h GLN 63 N -0.84 0.30 0.00 2.33 5.75 -0.64 1.02 115.11 123.03 1fjg h GLN 63 Ca -0.06 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1fjg h GLN 63 Cb 0.70 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 1fjg h GLN 63 CO 0.01 0.20 -0.12 -0.09 -2.65 0.00 0.00 178.83 176.19 1fjg h ARG 64 N 0.31 0.00 0.00 1.69 2.43 -1.11 -1.11 114.38 116.59 1fjg h ARG 64 Ca 0.69 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.85 1fjg h ARG 64 Cb 1.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1fjg h ARG 64 CO -0.61 0.12 -0.04 0.82 -1.51 0.00 0.00 179.97 178.74 1fjg h ILE 65 N 0.00 0.51 -0.80 1.20 2.04 0.12 -3.24 117.51 117.34 1fjg h ILE 65 Ca -0.00 -1.39 0.08 0.00 1.00 0.00 0.00 64.86 64.55 1fjg h ILE 65 Cb 0.21 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 37.16 1fjg h ILE 65 CO 0.01 0.17 -0.44 -0.11 0.00 0.00 0.00 178.15 177.79 1fjg n LEU 66 N -4.72 -0.78 -0.10 1.44 7.94 0.03 -0.62 117.00 120.18 1fjg n LEU 66 Ca -0.04 1.41 -0.13 0.00 -1.11 0.00 0.00 56.01 56.14 1fjg n LEU 66 Cb 0.15 -0.21 -0.09 0.00 0.53 0.00 0.00 43.42 43.80 1fjg n LEU 66 CO 0.10 -1.17 0.50 0.00 -1.11 0.00 0.00 177.39 175.71 1fjg h ALA 67 N 0.53 -0.79 -0.52 1.96 0.00 -1.35 0.40 119.26 119.49 1fjg h ALA 67 Ca 0.16 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1fjg h ALA 67 Cb 0.36 1.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 1fjg h ALA 67 CO -0.76 -1.03 -0.02 -0.22 0.00 0.00 0.00 179.25 177.22 1fjg h LYS 68 N -0.42 0.09 0.52 0.00 1.63 -0.89 0.02 116.57 117.52 1fjg h LYS 68 Ca 0.06 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1fjg h LYS 68 Cb 0.58 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 1fjg h LYS 68 CO -0.53 0.06 -0.42 1.15 -3.45 0.00 0.00 179.45 176.26 1fjg h THR 69 N 0.10 0.16 -0.96 1.00 2.02 0.21 -2.41 112.91 113.03 1fjg h THR 69 Ca 0.26 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.71 1fjg h THR 69 Cb 0.40 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 66.84 1fjg h THR 69 CO -0.45 0.00 0.48 0.40 0.37 0.00 0.00 175.52 176.32 1fjg h ILE 70 N -0.92 0.40 -0.48 3.11 2.04 0.68 0.08 117.51 122.42 1fjg h ILE 70 Ca -0.06 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1fjg h ILE 70 Cb 0.79 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1fjg h ILE 70 CO -0.01 0.07 0.22 0.11 0.00 0.00 0.00 178.15 178.54 1fjg h LYS 71 N 0.39 0.71 0.06 2.37 1.57 -0.55 -0.43 116.57 120.69 1fjg h LYS 71 Ca 0.64 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1fjg h LYS 71 Cb 1.34 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1fjg h LYS 71 CO -0.57 0.61 -0.13 0.00 -0.57 0.00 0.00 179.45 178.80 1fjg h ARG 72 N 0.64 -0.24 -0.68 3.15 3.08 -0.61 -0.81 114.38 118.90 1fjg h ARG 72 Ca 0.16 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.36 1fjg h ARG 72 Cb 0.15 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.16 1fjg h ARG 72 CO -0.02 -0.16 0.19 0.00 -1.07 0.00 0.00 179.97 178.92 1fjg h ALA 73 N 0.66 0.88 -0.00 0.04 0.00 -1.18 0.51 119.26 120.16 1fjg h ALA 73 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1fjg h ALA 73 Cb 0.27 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1fjg h ALA 73 CO -0.08 -0.28 -0.53 0.00 0.00 0.00 0.00 179.25 178.35 1fjg h ARG 74 N 0.32 -0.65 -0.91 0.00 2.47 -0.01 0.10 114.38 115.70 1fjg h ARG 74 Ca 0.37 0.04 0.10 0.00 -1.26 0.00 0.00 59.98 59.24 1fjg h ARG 74 Cb 0.57 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.97 1fjg h ARG 74 CO -0.43 -0.43 0.59 0.82 0.56 0.00 0.00 179.97 181.08 1fjg h ILE 75 N -0.67 0.95 -0.00 2.04 2.04 0.26 -0.36 117.51 121.77 1fjg h ILE 75 Ca 0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1fjg h ILE 75 Cb 0.72 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1fjg h ILE 75 CO -0.36 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.13 1fjg n LEU 76 N -4.54 4.87 -2.62 1.44 4.77 0.01 -4.75 117.00 116.16 1fjg n LEU 76 Ca 0.16 -2.22 -0.08 0.00 -0.03 0.00 0.00 56.01 53.83 1fjg n LEU 76 Cb 0.33 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 1fjg n LEU 76 CO 0.30 0.90 -0.03 0.61 -1.33 0.00 0.00 177.39 177.85 1fjg n GLY 77 N 1.29 -0.40 0.01 -0.72 0.00 -0.14 -4.69 105.19 100.53 1fjg n GLY 77 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1fjg n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fjg n LEU 78 N -2.44 0.05 -4.00 0.99 4.77 0.26 -4.95 117.00 111.69 1fjg n LEU 78 Ca 0.02 -0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 1fjg n LEU 78 Cb 0.41 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 1fjg n LEU 78 CO 0.19 0.01 -0.41 -0.76 -1.33 0.00 0.00 177.39 175.09 1fjg s LEU 79 N -4.19 2.05 0.45 2.23 1.43 -1.06 -4.90 118.68 114.68 1fjg s LEU 79 Ca -0.06 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 52.62 1fjg s LEU 79 Cb 0.12 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.94 1fjg s LEU 79 CO 0.77 0.04 1.16 -2.16 0.23 0.00 0.00 176.35 176.39 1fjg s PRO 80 N -0.38 3.83 0.06 1.29 0.04 -1.26 -4.14 135.00 134.44 1fjg s PRO 80 Ca 0.01 1.77 0.09 0.00 0.04 0.00 0.00 61.00 62.91 1fjg s PRO 80 Cb -0.04 -2.46 -0.22 0.00 0.04 0.00 0.00 34.50 31.83 1fjg s PRO 80 CO -0.00 -0.49 1.06 0.74 0.04 0.00 0.00 177.00 178.34 1fjg h PHE 81 N 2.17 0.00 -2.52 0.56 -1.00 -1.92 -3.42 116.94 110.81 1fjg h PHE 81 Ca -0.49 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.25 1fjg h PHE 81 Cb 1.24 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.65 1fjg h PHE 81 CO 0.54 0.99 0.20 -0.08 -1.61 0.00 0.00 178.31 178.35 1fjg s THR 82 N -2.67 0.00 0.07 -1.55 -1.32 -1.26 -4.18 115.64 104.72 1fjg s THR 82 Ca -0.01 -0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.48 1fjg s THR 82 Cb 0.09 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 1fjg s THR 82 CO 0.82 -0.00 -0.06 -1.61 -2.21 0.00 0.00 174.62 171.56 1fjg s GLU 83 N -2.50 0.70 0.30 7.08 2.02 -1.26 -4.42 118.70 120.62 1fjg s GLU 83 Ca -0.05 -1.15 -0.27 0.00 0.02 0.00 0.00 54.97 53.52 1fjg s GLU 83 Cb -0.01 -0.14 -0.10 0.00 0.10 0.00 0.00 34.13 33.99 1fjg s GLU 83 CO -0.02 -0.02 0.96 0.15 0.02 0.00 0.00 175.26 176.35 1fjg s LYS 84 N -3.21 4.63 -0.09 1.61 1.02 -1.26 -4.67 119.74 117.78 1fjg s LYS 84 Ca 0.05 1.40 -0.20 0.00 0.02 0.00 0.00 55.97 57.23 1fjg s LYS 84 Cb 0.01 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1fjg s LYS 84 CO -0.04 0.32 0.56 -1.17 -0.92 0.00 0.00 175.35 174.09 1fjg s LEU 85 N -1.84 4.31 0.00 3.17 2.96 -1.26 -4.85 118.68 121.17 1fjg s LEU 85 Ca 0.48 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1fjg s LEU 85 Cb -0.21 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.63 1fjg s LEU 85 CO 0.27 -0.02 0.00 0.52 -1.32 0.00 0.00 176.35 175.79 1fjg n VAL 86 N 3.59 0.00 -4.43 1.68 0.31 -1.26 -4.96 118.33 113.26 1fjg n VAL 86 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1fjg n VAL 86 Cb 0.51 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1fjg n VAL 86 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1fjg n ARG 87 N 0.00 0.00 -0.82 5.55 5.12 -1.26 -5.25 116.66 120.00 1fjg n ARG 87 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1fjg n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1fjg n ARG 87 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87