#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk n SER 17 N 0.00 -4.87 -0.82 3.54 2.88 -1.26 -4.99 113.62 108.11 1ibk n SER 17 Ca 0.00 0.18 0.03 0.00 -1.33 0.00 0.00 58.87 57.75 1ibk n SER 17 Cb 0.00 -3.12 0.20 0.00 -0.75 0.00 0.00 64.21 60.54 1ibk n SER 17 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ibk n ARG 18 N -0.68 1.94 0.14 -1.46 5.12 -1.26 -4.79 116.66 115.66 1ibk n ARG 18 Ca 0.04 -3.03 -0.14 0.00 -1.93 0.00 0.00 57.85 52.79 1ibk n ARG 18 Cb 0.30 -1.73 -0.07 0.00 -1.16 0.00 0.00 32.46 29.80 1ibk n ARG 18 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1ibk h LYS 19 N 1.00 -0.62 0.00 5.56 1.57 -1.94 -3.47 116.57 118.68 1ibk h LYS 19 Ca 0.10 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ibk h LYS 19 Cb 1.38 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1ibk h LYS 19 CO 0.22 -0.41 0.00 0.00 -0.57 0.00 0.00 179.45 178.68 1ibk n ALA 20 N -2.77 0.00 -2.73 3.86 0.00 -1.26 -5.18 120.51 112.44 1ibk n ALA 20 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1ibk n ALA 20 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1ibk n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ibk s LYS 21 N -2.00 3.59 0.37 0.00 3.01 -1.26 -4.91 119.74 118.54 1ibk s LYS 21 Ca 0.00 -0.14 0.19 0.00 -1.01 0.00 0.00 55.97 55.01 1ibk s LYS 21 Cb 0.00 -2.93 0.63 0.00 -1.01 0.00 0.00 37.83 34.51 1ibk s LYS 21 CO 0.00 0.53 1.70 0.28 0.51 0.00 0.00 175.35 178.38 1ibk h VAL 22 N 2.27 0.80 -0.02 3.17 2.07 -1.52 -2.91 116.25 120.12 1ibk h VAL 22 Ca -0.47 -1.55 -0.14 0.00 0.82 0.00 0.00 66.70 65.36 1ibk h VAL 22 Cb 1.17 1.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1ibk h VAL 22 CO 0.72 0.36 -0.53 0.50 0.02 0.00 0.00 177.57 178.63 1ibk h LYS 23 N 0.00 0.40 0.10 1.57 3.64 -1.80 -3.35 116.57 117.12 1ibk h LYS 23 Ca -0.00 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1ibk h LYS 23 Cb 0.95 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1ibk h LYS 23 CO 0.05 1.06 -0.24 0.00 -2.27 0.00 0.00 179.45 178.05 1ibk h ALA 24 N 0.35 -0.80 -0.16 5.00 0.00 -1.88 -2.95 119.26 118.81 1ibk h ALA 24 Ca -0.06 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 54.16 1ibk h ALA 24 Cb 1.23 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1ibk h ALA 24 CO 0.11 -0.85 2.40 2.41 0.00 0.00 0.00 179.25 183.32 1ibk n THR 25 N -3.82 2.60 -3.82 0.00 -1.04 -1.10 -4.72 114.28 102.37 1ibk n THR 25 Ca -0.04 -2.38 0.04 0.00 -2.04 0.00 0.00 64.05 59.63 1ibk n THR 25 Cb 0.20 -2.40 0.01 0.00 -1.82 0.00 0.00 70.33 66.31 1ibk n THR 25 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ibk s LEU 26 N 3.12 -0.00 0.00 -4.42 2.96 -1.11 -4.88 118.68 114.34 1ibk s LEU 26 Ca 0.55 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1ibk s LEU 26 Cb 0.11 1.07 0.00 0.00 0.50 0.00 0.00 46.19 47.87 1ibk s LEU 26 CO 0.05 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 1ibk n GLY 27 N -0.76 5.14 3.62 7.98 0.00 -1.26 -5.03 105.19 114.88 1ibk n GLY 27 Ca -0.01 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1ibk n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ibk s GLU 28 N 2.45 3.99 0.05 1.61 -1.05 -1.26 -5.02 118.70 119.48 1ibk s GLU 28 Ca 0.00 0.67 0.01 0.00 -0.15 0.00 0.00 54.97 55.49 1ibk s GLU 28 Cb 0.00 -3.72 -0.03 0.00 -0.44 0.00 0.00 34.13 29.94 1ibk s GLU 28 CO 0.00 -0.68 -0.05 -0.59 0.95 0.00 0.00 175.26 174.89 1ibk s PHE 29 N 3.00 0.58 -0.71 4.83 -0.12 -1.26 -5.10 117.98 119.21 1ibk s PHE 29 Ca 0.34 -0.77 -0.23 0.00 -0.05 0.00 0.00 56.93 56.22 1ibk s PHE 29 Cb -0.14 -0.38 0.07 0.00 -0.63 0.00 0.00 43.02 41.95 1ibk s PHE 29 CO 0.12 -0.21 1.02 0.34 -0.05 0.00 0.00 175.22 176.45 1ibk s ASP 30 N -2.28 6.23 0.00 1.98 2.15 -1.26 -4.86 116.67 118.63 1ibk s ASP 30 Ca -0.01 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 51.89 1ibk s ASP 30 Cb -0.01 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1ibk s ASP 30 CO -0.04 -1.44 0.65 0.18 -0.17 0.00 0.00 175.17 174.35 1ibk n LEU 31 N 7.76 0.00 -1.09 -1.34 4.77 -1.26 0.43 117.00 126.27 1ibk n LEU 31 Ca 0.01 0.21 0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1ibk n LEU 31 Cb 0.46 -0.21 0.25 0.00 -2.33 0.00 0.00 43.42 41.59 1ibk n LEU 31 CO 0.63 -0.21 0.71 -1.14 -1.33 0.00 0.00 177.39 176.05 1ibk n ARG 32 N -1.15 2.63 -2.84 3.23 0.63 -1.26 -4.39 116.66 113.51 1ibk n ARG 32 Ca 0.00 -2.37 -0.43 0.00 -0.92 0.00 0.00 57.85 54.13 1ibk n ARG 32 Cb 0.09 -1.47 -0.04 0.00 0.45 0.00 0.00 32.46 31.49 1ibk n ARG 32 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ibk s ASP 33 N -1.09 6.24 -0.18 6.15 -1.08 0.17 -4.91 116.67 121.97 1ibk s ASP 33 Ca 0.39 -0.68 -0.00 0.00 -0.52 0.00 0.00 52.55 51.74 1ibk s ASP 33 Cb 0.21 -2.43 0.15 0.00 -1.46 0.00 0.00 42.92 39.39 1ibk s ASP 33 CO 0.28 -1.36 1.81 0.00 0.52 0.00 0.00 175.17 176.42 1ibk n TYR 34 N 7.66 0.96 -0.70 -5.34 0.18 -1.26 -3.52 117.16 115.14 1ibk n TYR 34 Ca -0.01 -1.42 0.00 0.00 1.88 0.00 0.00 57.90 58.35 1ibk n TYR 34 Cb 0.46 -0.70 0.00 0.00 -0.38 0.00 0.00 39.34 38.72 1ibk n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1ibk n ARG 35 N 0.56 0.00 -0.36 -3.48 1.74 -1.26 -4.21 116.66 109.65 1ibk n ARG 35 Ca 0.19 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.24 1ibk n ARG 35 Cb 0.63 -0.03 -0.04 0.00 -1.02 0.00 0.00 32.46 32.00 1ibk n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ibk n ASN 36 N 0.00 2.55 -0.27 0.55 4.05 -1.23 -4.57 115.26 116.34 1ibk n ASN 36 Ca 0.00 -1.82 0.22 0.00 0.45 0.00 0.00 54.58 53.42 1ibk n ASN 36 Cb 0.04 -0.61 0.35 0.00 1.23 0.00 0.00 39.78 40.78 1ibk n ASN 36 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1ibk n VAL 37 N 2.25 -0.07 0.05 3.44 0.31 -1.26 0.14 118.33 123.19 1ibk n VAL 37 Ca 0.10 0.81 -0.12 0.00 -0.01 0.00 0.00 64.34 65.12 1ibk n VAL 37 Cb 0.34 -1.33 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 1ibk n VAL 37 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1ibk h GLU 38 N 0.00 -0.17 -0.49 5.55 9.09 -1.98 -2.81 114.58 123.78 1ibk h GLU 38 Ca 0.43 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.73 1ibk h GLU 38 Cb 1.54 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.66 1ibk h GLU 38 CO -0.14 0.25 -0.19 0.28 0.05 0.00 0.00 179.01 179.27 1ibk h VAL 39 N -0.68 1.27 0.53 -1.06 2.07 0.87 -3.28 116.25 115.97 1ibk h VAL 39 Ca -0.02 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1ibk h VAL 39 Cb 0.51 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ibk h VAL 39 CO 0.03 0.47 -0.25 -0.07 0.02 0.00 0.00 177.57 177.76 1ibk h LEU 40 N 0.85 -0.60 -1.41 2.57 3.38 -1.47 -2.38 115.31 116.24 1ibk h LEU 40 Ca 0.12 -0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.52 1ibk h LEU 40 Cb 0.75 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 1ibk h LEU 40 CO 0.06 -0.39 0.97 1.17 0.09 0.00 0.00 178.44 180.34 1ibk n LYS 41 N -5.37 -0.02 -0.37 1.13 4.81 -1.06 0.21 118.16 117.49 1ibk n LYS 41 Ca -0.12 0.99 -0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1ibk n LYS 41 Cb 0.31 -2.09 0.14 0.00 0.02 0.00 0.00 35.03 33.40 1ibk n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ibk h ARG 42 N 0.00 1.25 0.00 1.64 2.47 -1.52 -2.45 114.38 115.77 1ibk h ARG 42 Ca 0.77 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 59.41 1ibk h ARG 42 Cb 2.78 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 30.82 1ibk h ARG 42 CO -0.21 0.83 0.00 1.19 0.56 0.00 0.00 179.97 182.34 1ibk n PHE 43 N -4.43 0.00 -2.47 3.04 3.01 0.57 -4.83 117.46 112.35 1ibk n PHE 43 Ca 0.13 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.33 1ibk n PHE 43 Cb 0.08 -0.46 0.03 0.00 -0.01 0.00 0.00 39.48 39.11 1ibk n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ibk s LEU 44 N -2.93 3.29 0.00 4.37 1.43 -0.92 -1.23 118.68 122.69 1ibk s LEU 44 Ca 0.16 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1ibk s LEU 44 Cb 0.19 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1ibk s LEU 44 CO 0.50 -1.01 0.00 -1.54 0.23 0.00 0.00 176.35 174.53 1ibk n SER 45 N -2.51 0.00 -1.74 2.29 3.41 -0.05 -4.81 113.62 110.21 1ibk n SER 45 Ca 0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.58 1ibk n SER 45 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1ibk n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ibk n GLU 46 N 0.00 1.44 -3.64 4.33 4.71 -1.26 -4.60 120.64 121.62 1ibk n GLU 46 Ca 0.00 -0.62 -0.02 0.00 -0.01 0.00 0.00 57.16 56.50 1ibk n GLU 46 Cb 0.00 -1.39 -0.02 0.00 -1.01 0.00 0.00 31.44 29.02 1ibk n GLU 46 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ibk s THR 47 N -0.30 0.00 -0.84 2.62 2.01 -1.26 -4.68 115.64 113.19 1ibk s THR 47 Ca 0.24 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1ibk s THR 47 Cb 0.13 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1ibk s THR 47 CO -0.01 0.00 0.91 0.61 -0.69 0.00 0.00 174.62 175.44 1ibk n GLY 48 N 0.02 -0.41 3.63 4.40 0.00 -1.26 -4.66 105.19 106.90 1ibk n GLY 48 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1ibk n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ibk n LYS 49 N -1.41 1.70 -2.57 1.61 5.02 -1.26 -4.70 118.16 116.55 1ibk n LYS 49 Ca 0.00 0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 56.49 1ibk n LYS 49 Cb 0.08 -2.29 -0.04 0.00 -0.02 0.00 0.00 35.03 32.76 1ibk n LYS 49 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ibk s ILE 50 N 0.50 3.96 0.47 -0.18 1.01 -1.26 -0.87 121.20 124.82 1ibk s ILE 50 Ca 0.78 1.73 -0.22 0.00 0.00 0.00 0.00 60.65 62.94 1ibk s ILE 50 Cb -0.78 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 37.51 1ibk s ILE 50 CO 0.44 0.32 1.11 -0.76 0.00 0.00 0.00 174.94 176.05 1ibk s LEU 51 N -0.49 3.95 0.00 2.97 1.43 -0.36 -4.88 118.68 121.29 1ibk s LEU 51 Ca 0.48 2.15 -0.06 0.00 -1.03 0.00 0.00 54.13 55.67 1ibk s LEU 51 Cb -0.28 -4.36 0.09 0.00 0.03 0.00 0.00 46.19 41.66 1ibk s LEU 51 CO 0.34 -0.88 0.36 -2.65 0.23 0.00 0.00 176.35 173.76 1ibk n PRO 52 N -0.67 -1.41 0.08 1.29 -0.02 -1.26 -4.57 135.00 128.43 1ibk n PRO 52 Ca 0.08 -0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 60.78 1ibk n PRO 52 Cb 0.50 -0.50 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 1ibk n PRO 52 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ibk h ARG 53 N 0.00 0.51 -0.44 -0.52 2.43 -1.95 0.36 114.38 114.76 1ibk h ARG 53 Ca -0.13 -0.72 0.13 0.00 -0.81 0.00 0.00 59.98 58.45 1ibk h ARG 53 Cb 0.39 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1ibk h ARG 53 CO 0.09 1.32 0.76 0.00 -1.51 0.00 0.00 179.97 180.62 1ibk h ARG 54 N 0.05 0.00 0.00 0.20 3.08 -1.94 0.70 114.38 116.48 1ibk h ARG 54 Ca -0.17 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 1ibk h ARG 54 Cb 1.80 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.82 1ibk h ARG 54 CO 0.21 0.00 -1.27 0.54 -1.07 0.00 0.00 179.97 178.38 1ibk n ARG 55 N -3.18 0.32 0.04 0.04 5.12 -1.18 -4.56 116.66 113.26 1ibk n ARG 55 Ca 0.09 0.13 0.20 0.00 -1.93 0.00 0.00 57.85 56.34 1ibk n ARG 55 Cb 0.92 -1.05 0.72 0.00 -1.16 0.00 0.00 32.46 31.90 1ibk n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1ibk h THR 56 N -0.57 0.61 0.00 0.55 1.35 0.23 -2.29 112.91 112.79 1ibk h THR 56 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1ibk h THR 56 Cb 0.98 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1ibk h THR 56 CO -0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 1ibk n GLY 57 N -1.58 0.61 0.00 5.82 0.00 0.24 -3.19 105.19 107.10 1ibk n GLY 57 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ibk n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ibk n LEU 58 N 0.00 0.00 -4.33 0.99 4.77 -1.26 -4.84 117.00 112.33 1ibk n LEU 58 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1ibk n LEU 58 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1ibk n LEU 58 CO 0.00 -0.82 -0.26 -0.94 -1.33 0.00 0.00 177.39 174.04 1ibk s SER 59 N -1.56 1.30 0.00 -1.43 1.04 -1.26 -4.83 113.70 106.95 1ibk s SER 59 Ca 0.00 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1ibk s SER 59 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1ibk s SER 59 CO 0.00 -0.71 0.61 0.61 0.98 0.00 0.00 173.24 174.73 1ibk n GLY 60 N -0.48 -2.89 0.19 7.32 0.00 -1.26 0.12 105.19 108.18 1ibk n GLY 60 Ca -0.00 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 1ibk n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ibk h LYS 61 N 0.00 0.09 0.00 1.61 3.64 -1.99 -1.92 116.57 117.99 1ibk h LYS 61 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ibk h LYS 61 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ibk h LYS 61 CO 0.00 0.06 0.00 0.39 -2.27 0.00 0.00 179.45 177.63 1ibk n GLU 62 N -5.24 0.00 0.25 1.90 1.02 -0.48 -2.38 120.64 115.72 1ibk n GLU 62 Ca 0.04 0.17 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 1ibk n GLU 62 Cb 0.24 -1.17 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 1ibk n GLU 62 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1ibk n GLN 63 N -1.00 0.02 0.09 3.49 -0.06 0.32 0.28 117.38 120.53 1ibk n GLN 63 Ca 0.00 0.75 -0.24 0.00 -2.00 0.00 0.00 57.00 55.51 1ibk n GLN 63 Cb 0.00 -2.01 -0.15 0.00 -4.06 0.00 0.00 30.24 24.02 1ibk n GLN 63 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1ibk h ARG 64 N 0.00 0.44 0.00 3.69 2.43 -1.11 -3.09 114.38 116.74 1ibk h ARG 64 Ca 0.01 -0.75 -0.23 0.00 -0.81 0.00 0.00 59.98 58.20 1ibk h ARG 64 Cb 1.59 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1ibk h ARG 64 CO -0.00 1.36 -0.96 0.82 -1.51 0.00 0.00 179.97 179.68 1ibk h ILE 65 N 0.10 1.39 0.01 1.20 2.04 0.45 -3.05 117.51 119.65 1ibk h ILE 65 Ca -0.32 -2.44 0.01 0.00 1.00 0.00 0.00 64.86 63.11 1ibk h ILE 65 Cb 2.10 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 40.60 1ibk h ILE 65 CO 0.20 0.73 -0.15 0.25 0.00 0.00 0.00 178.15 179.19 1ibk h LEU 66 N 0.24 -0.46 -0.86 1.44 5.85 -1.29 0.12 115.31 120.36 1ibk h LEU 66 Ca -0.09 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.79 1ibk h LEU 66 Cb 1.60 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 42.68 1ibk h LEU 66 CO 0.17 -0.15 -0.42 0.00 -0.34 0.00 0.00 178.44 177.70 1ibk n ALA 67 N -2.62 -0.32 -0.02 1.25 0.00 -1.17 -0.25 120.51 117.38 1ibk n ALA 67 Ca -0.02 0.79 -0.11 0.00 0.00 0.00 0.00 53.44 54.10 1ibk n ALA 67 Cb 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 1ibk n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ibk h LYS 68 N 0.00 0.18 -0.13 0.00 3.64 -1.37 -2.20 116.57 116.68 1ibk h LYS 68 Ca 0.22 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1ibk h LYS 68 Cb 0.43 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1ibk h LYS 68 CO -0.83 0.21 -0.37 1.15 -2.27 0.00 0.00 179.45 177.34 1ibk h THR 69 N 0.10 0.21 -0.72 1.00 2.02 0.21 -1.70 112.91 114.03 1ibk h THR 69 Ca 0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.38 1ibk h THR 69 Cb 0.09 0.21 -0.12 0.00 -1.74 0.00 0.00 68.15 66.58 1ibk h THR 69 CO -0.01 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.29 1ibk h ILE 70 N -0.45 0.39 -0.82 3.11 2.04 -0.54 0.87 117.51 122.11 1ibk h ILE 70 Ca 0.09 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 66.05 1ibk h ILE 70 Cb 0.59 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1ibk h ILE 70 CO -0.38 0.02 0.54 0.11 0.00 0.00 0.00 178.15 178.44 1ibk h LYS 71 N 0.11 0.57 0.48 2.37 1.57 -0.67 -0.65 116.57 120.35 1ibk h LYS 71 Ca 0.39 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1ibk h LYS 71 Cb 0.66 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ibk h LYS 71 CO -0.62 0.38 -0.23 0.00 -0.57 0.00 0.00 179.45 178.41 1ibk h ARG 72 N 0.59 -0.62 -0.47 3.15 3.08 -0.62 -1.86 114.38 117.63 1ibk h ARG 72 Ca 0.40 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.59 1ibk h ARG 72 Cb 0.72 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.81 1ibk h ARG 72 CO -0.16 -0.33 -0.32 0.00 -1.07 0.00 0.00 179.97 178.09 1ibk h ALA 73 N -0.41 -0.10 -0.69 0.04 0.00 -1.08 0.26 119.26 117.28 1ibk h ALA 73 Ca -0.07 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1ibk h ALA 73 Cb 0.57 0.71 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 1ibk h ALA 73 CO 0.11 -0.69 -0.35 0.00 0.00 0.00 0.00 179.25 178.32 1ibk h ARG 74 N -0.21 -0.12 -0.75 0.00 3.08 -0.98 0.26 114.38 115.67 1ibk h ARG 74 Ca 0.20 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.30 1ibk h ARG 74 Cb 0.54 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1ibk h ARG 74 CO -0.59 -0.08 0.49 0.82 -1.07 0.00 0.00 179.97 179.54 1ibk h ILE 75 N -0.12 1.08 -0.05 2.04 2.04 0.29 0.62 117.51 123.41 1ibk h ILE 75 Ca 0.26 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1ibk h ILE 75 Cb 0.56 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1ibk h ILE 75 CO -0.76 0.16 0.02 0.18 0.00 0.00 0.00 178.15 177.75 1ibk n LEU 76 N -4.47 2.02 -0.52 1.44 4.77 0.79 -4.78 117.00 116.24 1ibk n LEU 76 Ca 0.10 -1.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.00 1ibk n LEU 76 Cb 0.16 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1ibk n LEU 76 CO 0.34 0.37 -0.06 0.61 -1.33 0.00 0.00 177.39 177.32 1ibk n GLY 77 N 0.17 0.64 0.07 -0.72 0.00 0.21 -4.82 105.19 100.74 1ibk n GLY 77 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1ibk n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ibk h LEU 78 N 0.00 0.00 -8.49 0.99 3.38 -1.28 -3.47 115.31 106.43 1ibk h LEU 78 Ca -0.14 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.44 1ibk h LEU 78 Cb 1.12 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 1ibk h LEU 78 CO 0.20 0.97 -0.76 -0.76 0.09 0.00 0.00 178.44 178.18 1ibk s LEU 79 N -6.62 2.35 0.79 1.67 1.43 -1.22 -4.90 118.68 112.19 1ibk s LEU 79 Ca 0.01 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1ibk s LEU 79 Cb 0.10 -0.48 0.07 0.00 0.03 0.00 0.00 46.19 45.90 1ibk s LEU 79 CO 0.82 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 176.18 1ibk s PRO 80 N -2.33 2.13 -0.12 1.29 0.04 -1.26 -4.23 135.00 130.51 1ibk s PRO 80 Ca 0.04 0.73 0.16 0.00 0.04 0.00 0.00 61.00 61.96 1ibk s PRO 80 Cb -0.06 -1.92 -0.22 0.00 0.04 0.00 0.00 34.50 32.34 1ibk s PRO 80 CO 0.02 -1.61 0.15 1.19 0.04 0.00 0.00 177.00 176.79 1ibk n PHE 81 N -3.44 0.00 -3.64 0.56 3.01 -1.26 -4.63 117.46 108.06 1ibk n PHE 81 Ca 0.07 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.44 1ibk n PHE 81 Cb 0.56 -0.70 -0.07 0.00 -0.01 0.00 0.00 39.48 39.26 1ibk n PHE 81 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1ibk s THR 82 N -2.63 0.00 0.27 4.37 -1.32 -1.26 -4.04 115.64 111.03 1ibk s THR 82 Ca -0.08 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.49 1ibk s THR 82 Cb 0.07 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 1ibk s THR 82 CO 0.69 0.00 0.03 -1.61 -2.21 0.00 0.00 174.62 171.53 1ibk s GLU 83 N 0.74 2.39 0.52 7.08 0.41 -1.26 -4.49 118.70 124.09 1ibk s GLU 83 Ca -0.02 -1.38 -0.08 0.00 -0.41 0.00 0.00 54.97 53.08 1ibk s GLU 83 Cb -0.05 -2.22 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1ibk s GLU 83 CO -0.08 0.35 0.86 0.15 -0.49 0.00 0.00 175.26 176.05 1ibk s LYS 84 N -3.71 3.59 -0.46 1.61 1.02 -1.26 -4.69 119.74 115.84 1ibk s LYS 84 Ca 0.32 0.41 -0.14 0.00 0.02 0.00 0.00 55.97 56.58 1ibk s LYS 84 Cb -0.06 -2.28 0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1ibk s LYS 84 CO 0.21 -0.30 0.37 -1.17 -0.92 0.00 0.00 175.35 173.54 1ibk s LEU 85 N -4.77 5.55 0.59 3.17 2.96 -1.26 -4.83 118.68 120.09 1ibk s LEU 85 Ca 0.50 -1.43 -0.19 0.00 -0.22 0.00 0.00 54.13 52.80 1ibk s LEU 85 Cb -0.10 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1ibk s LEU 85 CO 0.46 -0.64 1.21 -0.69 -1.32 0.00 0.00 176.35 175.37 1ibk s VAL 86 N 1.57 2.62 0.00 1.68 1.01 -1.26 -4.76 120.40 121.26 1ibk s VAL 86 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1ibk s VAL 86 Cb -0.24 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ibk s VAL 86 CO 0.05 -0.08 0.00 0.54 0.00 0.00 0.00 175.10 175.61 1ibk n ARG 87 N -1.60 0.00 -0.39 2.72 5.12 -1.26 -5.24 116.66 116.01 1ibk n ARG 87 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1ibk n ARG 87 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1ibk n ARG 87 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87