#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk n VAL 2 N 0.00 0.02 -4.51 1.12 3.14 -1.26 -3.46 118.33 113.38 1ibk n VAL 2 Ca 0.00 -0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 1ibk n VAL 2 Cb 0.00 -0.45 -0.11 0.00 -1.06 0.00 0.00 33.84 32.22 1ibk n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1ibk s LYS 3 N 0.65 1.76 -0.26 1.45 1.02 0.21 -2.73 119.74 121.84 1ibk s LYS 3 Ca 0.90 -1.99 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1ibk s LYS 3 Cb -1.14 -1.13 0.05 0.00 -0.52 0.00 0.00 37.83 35.08 1ibk s LYS 3 CO 0.55 -0.14 -0.07 0.42 -0.92 0.00 0.00 175.35 175.19 1ibk s ILE 4 N -3.09 2.58 0.17 2.17 1.01 -1.23 -0.55 121.20 122.26 1ibk s ILE 4 Ca 0.36 -1.37 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1ibk s ILE 4 Cb 0.09 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1ibk s ILE 4 CO 0.16 0.04 0.18 -2.11 0.00 0.00 0.00 174.94 173.21 1ibk n ARG 5 N 4.56 0.26 -3.84 2.79 1.85 -0.88 -1.80 116.66 119.60 1ibk n ARG 5 Ca -0.15 -1.63 -0.35 0.00 -1.00 0.00 0.00 57.85 54.73 1ibk n ARG 5 Cb 0.44 1.40 -0.05 0.00 -1.05 0.00 0.00 32.46 33.20 1ibk n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1ibk s LEU 6 N 0.00 4.38 -0.16 2.89 1.02 -1.26 -0.58 118.68 124.97 1ibk s LEU 6 Ca 0.19 0.47 -0.01 0.00 0.02 0.00 0.00 54.13 54.79 1ibk s LEU 6 Cb 0.01 -2.51 0.04 0.00 0.02 0.00 0.00 46.19 43.75 1ibk s LEU 6 CO 0.13 0.29 -0.02 0.00 0.02 0.00 0.00 176.35 176.78 1ibk s ALA 7 N -1.24 1.22 0.22 4.21 0.00 -0.88 -4.90 121.76 120.39 1ibk s ALA 7 Ca 0.24 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 1ibk s ALA 7 Cb -0.13 -1.08 -0.16 0.00 0.00 0.00 0.00 23.12 21.75 1ibk s ALA 7 CO 0.14 -0.85 0.70 0.54 0.00 0.00 0.00 175.76 176.29 1ibk n ARG 8 N 4.97 0.43 0.00 0.00 5.12 -1.26 -2.17 116.66 123.75 1ibk n ARG 8 Ca -0.10 0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1ibk n ARG 8 Cb 0.48 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 1ibk n ARG 8 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ibk n PHE 9 N 0.16 0.00 0.00 -1.55 3.72 0.10 -4.85 117.46 115.04 1ibk n PHE 9 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1ibk n PHE 9 Cb 0.26 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1ibk n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ibk n GLY 10 N 0.00 -2.57 3.47 1.37 0.00 -0.78 -4.54 105.19 102.14 1ibk n GLY 10 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1ibk n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibk s SER 11 N -1.84 -0.46 -0.42 1.61 0.15 -0.88 -4.75 113.70 107.12 1ibk s SER 11 Ca 0.00 0.02 -0.32 0.00 0.70 0.00 0.00 55.95 56.34 1ibk s SER 11 Cb 0.00 0.48 -0.11 0.00 -1.71 0.00 0.00 66.02 64.68 1ibk s SER 11 CO 0.00 -0.77 2.29 1.17 1.20 0.00 0.00 173.24 177.13 1ibk n LYS 12 N -0.27 1.09 -0.85 5.44 4.81 -1.26 0.21 118.16 127.32 1ibk n LYS 12 Ca -0.12 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1ibk n LYS 12 Cb 0.63 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1ibk n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ibk n HIS 13 N 11.31 0.00 -2.06 5.64 8.25 -1.26 -4.87 115.22 132.24 1ibk n HIS 13 Ca 0.41 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.73 1ibk n HIS 13 Cb 0.30 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.47 1ibk n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ibk n ASN 14 N 0.00 3.82 -4.66 0.41 5.15 0.55 -5.08 115.26 115.44 1ibk n ASN 14 Ca 0.00 -3.52 -0.52 0.00 -0.60 0.00 0.00 54.58 49.94 1ibk n ASN 14 Cb 0.00 -0.39 -0.06 0.00 -0.53 0.00 0.00 39.78 38.80 1ibk n ASN 14 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ibk n PRO 15 N -0.73 1.65 -4.19 1.20 -0.04 -1.06 -2.07 135.00 129.75 1ibk n PRO 15 Ca 0.34 0.59 -0.27 0.00 -0.04 0.00 0.00 63.50 64.12 1ibk n PRO 15 Cb 0.90 -2.43 -0.17 0.00 -0.04 0.00 0.00 33.50 31.77 1ibk n PRO 15 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ibk s HIS 16 N 4.37 1.61 0.21 0.54 3.76 -1.26 -4.39 115.29 120.13 1ibk s HIS 16 Ca 0.97 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 55.18 1ibk s HIS 16 Cb -0.85 -1.24 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 1ibk s HIS 16 CO 0.57 -0.45 0.29 0.71 -0.85 0.00 0.00 174.74 175.00 1ibk s TYR 17 N 1.28 3.38 -0.22 1.40 1.51 0.12 0.03 117.35 124.85 1ibk s TYR 17 Ca -0.02 0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1ibk s TYR 17 Cb -0.14 -1.56 0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1ibk s TYR 17 CO -0.04 0.48 -0.14 1.03 -1.11 0.00 0.00 175.55 175.77 1ibk s ARG 18 N -3.66 2.49 -0.26 -0.62 0.52 -0.92 0.07 118.95 116.57 1ibk s ARG 18 Ca 0.34 -1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 1ibk s ARG 18 Cb -0.09 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 1ibk s ARG 18 CO 0.28 -0.42 1.39 0.42 0.02 0.00 0.00 175.30 176.99 1ibk s ILE 19 N 1.21 4.03 -0.01 1.52 1.01 -0.17 -2.07 121.20 126.72 1ibk s ILE 19 Ca -0.03 1.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.74 1ibk s ILE 19 Cb -0.17 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1ibk s ILE 19 CO -0.08 -0.38 0.11 0.54 0.00 0.00 0.00 174.94 175.12 1ibk s VAL 20 N 4.48 0.06 0.04 2.92 0.11 0.25 -0.58 120.40 127.68 1ibk s VAL 20 Ca 0.60 -0.52 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1ibk s VAL 20 Cb -0.20 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1ibk s VAL 20 CO 0.24 -0.28 0.95 -0.69 -3.33 0.00 0.00 175.10 171.98 1ibk s VAL 21 N -0.96 4.75 0.19 2.04 1.01 0.42 -2.08 120.40 125.77 1ibk s VAL 21 Ca -0.10 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 63.66 1ibk s VAL 21 Cb -0.06 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.08 1ibk s VAL 21 CO 0.01 0.23 0.66 0.28 0.00 0.00 0.00 175.10 176.28 1ibk s THR 22 N 0.61 0.00 0.13 3.92 -1.32 0.29 -0.78 115.64 118.49 1ibk s THR 22 Ca 0.49 -0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 1ibk s THR 22 Cb -0.22 -1.36 -0.06 0.00 -1.51 0.00 0.00 72.50 69.35 1ibk s THR 22 CO 0.28 0.00 1.08 -0.62 -2.21 0.00 0.00 174.62 173.15 1ibk s ASP 23 N -2.80 7.29 0.29 8.08 -1.08 -1.26 0.66 116.67 127.86 1ibk s ASP 23 Ca 0.05 1.97 0.03 0.00 -0.52 0.00 0.00 52.55 54.08 1ibk s ASP 23 Cb -0.03 -2.59 0.73 0.00 -1.46 0.00 0.00 42.92 39.57 1ibk s ASP 23 CO -0.06 -0.23 1.65 0.00 0.52 0.00 0.00 175.17 177.05 1ibk h ALA 24 N 5.65 1.32 0.00 3.66 0.00 -1.89 -0.51 119.26 127.49 1ibk h ALA 24 Ca -0.43 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ibk h ALA 24 Cb 1.21 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1ibk h ALA 24 CO 0.74 -0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.06 1ibk n ARG 25 N -5.22 0.16 -1.18 0.00 1.74 -1.26 -4.82 116.66 106.09 1ibk n ARG 25 Ca 0.22 0.58 -0.31 0.00 -0.77 0.00 0.00 57.85 57.57 1ibk n ARG 25 Cb 0.70 -1.95 0.10 0.00 -1.02 0.00 0.00 32.46 30.29 1ibk n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ibk s ARG 26 N -3.50 2.04 1.11 5.56 1.81 -0.20 -5.00 118.95 120.76 1ibk s ARG 26 Ca -0.01 1.27 -0.12 0.00 -1.72 0.00 0.00 55.73 55.15 1ibk s ARG 26 Cb 0.07 -1.87 0.25 0.00 -0.45 0.00 0.00 34.95 32.96 1ibk s ARG 26 CO 0.26 -1.82 1.05 0.15 -0.68 0.00 0.00 175.30 174.26 1ibk s LYS 27 N -4.79 -0.46 0.03 3.54 1.02 -1.26 -4.92 119.74 112.90 1ibk s LYS 27 Ca 0.63 0.93 -0.25 0.00 0.02 0.00 0.00 55.97 57.31 1ibk s LYS 27 Cb -0.19 -1.60 -0.14 0.00 -0.52 0.00 0.00 37.83 35.39 1ibk s LYS 27 CO 0.55 -3.44 1.23 -0.09 -0.92 0.00 0.00 175.35 172.68 1ibk h ARG 28 N -2.43 -0.85 -0.88 1.68 2.43 -1.96 -3.11 114.38 109.26 1ibk h ARG 28 Ca -0.58 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 1ibk h ARG 28 Cb 1.32 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 1ibk h ARG 28 CO 0.50 -0.57 0.05 -0.25 -1.51 0.00 0.00 179.97 178.19 1ibk n ASP 29 N -4.66 2.88 -4.29 -3.80 10.43 -1.26 -4.81 116.55 111.04 1ibk n ASP 29 Ca -0.11 -2.40 -0.25 0.00 2.57 0.00 0.00 54.79 54.60 1ibk n ASP 29 Cb 0.35 -0.58 0.15 0.00 1.84 0.00 0.00 41.12 42.87 1ibk n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ibk n GLY 30 N 0.16 -0.12 3.69 0.44 0.00 -1.18 -4.97 105.19 103.21 1ibk n GLY 30 Ca 0.13 -1.92 -0.53 0.00 0.00 0.00 0.00 46.02 43.71 1ibk n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibk n LYS 31 N -3.16 1.62 -4.18 1.61 4.81 -1.26 -4.88 118.16 112.72 1ibk n LYS 31 Ca 0.16 0.59 -0.27 0.00 -0.87 0.00 0.00 58.31 57.93 1ibk n LYS 31 Cb 0.58 -2.34 -0.07 0.00 0.02 0.00 0.00 35.03 33.21 1ibk n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1ibk s TYR 32 N 3.41 2.91 0.18 5.64 1.13 -1.26 -4.85 117.35 124.50 1ibk s TYR 32 Ca 0.94 -0.11 -0.13 0.00 -1.41 0.00 0.00 57.07 56.36 1ibk s TYR 32 Cb -0.89 -1.41 0.13 0.00 -1.10 0.00 0.00 41.96 38.69 1ibk s TYR 32 CO 0.57 0.52 1.80 0.82 -2.51 0.00 0.00 175.55 176.75 1ibk h ILE 33 N 2.39 1.00 -1.14 -3.49 2.04 -1.32 -3.46 117.51 113.52 1ibk h ILE 33 Ca -0.47 -0.19 0.21 0.00 1.00 0.00 0.00 64.86 65.40 1ibk h ILE 33 Cb 1.20 0.39 -0.28 0.00 -0.74 0.00 0.00 36.82 37.39 1ibk h ILE 33 CO 0.59 0.10 0.87 -1.83 0.00 0.00 0.00 178.15 177.88 1ibk s GLU 34 N -6.13 0.14 0.41 2.37 -1.05 -0.95 -4.99 118.70 108.50 1ibk s GLU 34 Ca -0.13 0.06 -0.17 0.00 -0.15 0.00 0.00 54.97 54.59 1ibk s GLU 34 Cb 0.14 0.07 -0.09 0.00 -0.44 0.00 0.00 34.13 33.80 1ibk s GLU 34 CO 0.74 -0.04 0.86 0.21 0.95 0.00 0.00 175.26 177.98 1ibk s LYS 35 N -0.77 4.04 0.00 -4.83 2.20 -1.26 -0.44 119.74 118.67 1ibk s LYS 35 Ca 0.07 0.85 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 1ibk s LYS 35 Cb -0.02 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1ibk s LYS 35 CO -0.08 -0.02 0.13 0.44 -0.36 0.00 0.00 175.35 175.46 1ibk n ILE 36 N -0.83 0.00 -1.38 5.43 -5.35 0.26 -4.88 119.36 112.61 1ibk n ILE 36 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1ibk n ILE 36 Cb 0.54 1.40 0.00 0.00 -1.74 0.00 0.00 39.64 39.84 1ibk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ibk n GLY 37 N 0.00 -1.44 3.34 3.28 0.00 -0.83 -0.18 105.19 109.36 1ibk n GLY 37 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 1ibk n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ibk s TYR 38 N -2.43 -0.27 -0.18 1.61 -0.85 -1.12 -1.00 117.35 113.12 1ibk s TYR 38 Ca 0.00 0.07 -0.08 0.00 -0.52 0.00 0.00 57.07 56.54 1ibk s TYR 38 Cb 0.00 0.29 0.07 0.00 0.38 0.00 0.00 41.96 42.70 1ibk s TYR 38 CO 0.00 -0.68 0.40 -0.47 -1.52 0.00 0.00 175.55 173.28 1ibk s TYR 39 N -3.36 -0.65 -0.45 -3.49 5.04 0.11 -2.93 117.35 111.61 1ibk s TYR 39 Ca 0.00 1.34 -0.08 0.00 -2.44 0.00 0.00 57.07 55.89 1ibk s TYR 39 Cb 0.01 0.25 0.11 0.00 0.35 0.00 0.00 41.96 42.68 1ibk s TYR 39 CO -0.09 -0.39 0.30 0.34 -1.34 0.00 0.00 175.55 174.37 1ibk s ASP 40 N 1.88 5.59 0.18 4.32 3.68 -0.51 0.15 116.67 131.96 1ibk s ASP 40 Ca -0.06 -1.87 -0.14 0.00 2.13 0.00 0.00 52.55 52.61 1ibk s ASP 40 Cb -0.10 -1.97 0.16 0.00 -1.45 0.00 0.00 42.92 39.57 1ibk s ASP 40 CO -0.12 -0.64 1.73 -0.65 0.13 0.00 0.00 175.17 175.62 1ibk h PRO 41 N 8.36 0.24 0.00 4.34 0.11 -1.84 -1.29 132.00 141.91 1ibk h PRO 41 Ca -0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1ibk h PRO 41 Cb 1.07 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ibk h PRO 41 CO 0.81 0.16 0.00 0.54 -0.21 0.00 0.00 178.00 179.30 1ibk n ARG 42 N -5.09 0.65 -4.20 1.05 1.74 -1.26 -4.88 116.66 104.67 1ibk n ARG 42 Ca 0.05 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.82 1ibk n ARG 42 Cb 0.22 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1ibk n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ibk n LYS 43 N -1.01 -1.50 0.00 5.56 5.02 -0.49 -4.81 118.16 120.94 1ibk n LYS 43 Ca 0.16 0.18 0.06 0.00 -2.02 0.00 0.00 58.31 56.68 1ibk n LYS 43 Cb 0.07 -3.76 0.27 0.00 -0.02 0.00 0.00 35.03 31.60 1ibk n LYS 43 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ibk n THR 44 N -4.57 1.13 -4.04 -0.18 -2.24 -1.26 -4.75 114.28 98.37 1ibk n THR 44 Ca -0.31 0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1ibk n THR 44 Cb 0.69 -1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 1ibk n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ibk s THR 45 N -3.01 0.33 0.44 4.28 -4.23 -1.26 -5.03 115.64 107.16 1ibk s THR 45 Ca 0.06 -1.21 0.28 0.00 -1.18 0.00 0.00 61.69 59.64 1ibk s THR 45 Cb 0.08 -0.71 0.48 0.00 1.34 0.00 0.00 72.50 73.68 1ibk s THR 45 CO 0.23 -0.57 1.67 1.55 -0.54 0.00 0.00 174.62 176.96 1ibk h PRO 46 N 4.20 0.15 -3.93 3.99 0.13 -2.03 -3.17 132.00 131.35 1ibk h PRO 46 Ca -0.34 -0.01 -0.73 0.00 -0.87 0.00 0.00 66.00 64.05 1ibk h PRO 46 Cb 1.19 -0.03 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 1ibk h PRO 46 CO 0.47 0.10 -0.26 0.34 -0.23 0.00 0.00 178.00 178.42 1ibk s ASP 47 N -4.70 5.81 0.00 1.44 3.68 -1.26 -4.89 116.67 116.76 1ibk s ASP 47 Ca -0.08 -2.45 0.13 0.00 2.13 0.00 0.00 52.55 52.28 1ibk s ASP 47 Cb 0.28 -2.01 0.28 0.00 -1.45 0.00 0.00 42.92 40.02 1ibk s ASP 47 CO 0.82 -0.55 1.18 -2.67 0.13 0.00 0.00 175.17 174.08 1ibk n TRP 48 N 4.16 0.37 -3.65 -5.34 4.27 -1.20 -4.94 117.44 111.11 1ibk n TRP 48 Ca 0.03 -0.34 -0.07 0.00 -3.89 0.00 0.00 57.50 53.23 1ibk n TRP 48 Cb 0.41 -0.02 -0.07 0.00 -1.36 0.00 0.00 31.31 30.27 1ibk n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1ibk s LEU 49 N -1.03 -0.83 0.05 5.67 2.96 -1.26 -1.43 118.68 122.81 1ibk s LEU 49 Ca 0.23 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.58 1ibk s LEU 49 Cb 0.13 2.21 -0.03 0.00 0.50 0.00 0.00 46.19 49.01 1ibk s LEU 49 CO 0.18 -0.23 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.16 1ibk s LYS 50 N 1.71 0.54 -0.29 1.98 2.36 -1.15 -5.03 119.74 119.87 1ibk s LYS 50 Ca -0.10 -0.86 0.02 0.00 -2.55 0.00 0.00 55.97 52.49 1ibk s LYS 50 Cb -0.06 -0.15 0.18 0.00 -1.05 0.00 0.00 37.83 36.75 1ibk s LYS 50 CO -0.19 0.00 0.54 0.08 1.55 0.00 0.00 175.35 177.33 1ibk s VAL 51 N -1.96 -0.89 -0.96 4.02 1.01 -1.26 -2.78 120.40 117.58 1ibk s VAL 51 Ca -0.06 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 1ibk s VAL 51 Cb -0.06 -0.98 -0.21 0.00 0.00 0.00 0.00 36.38 35.13 1ibk s VAL 51 CO -0.02 -0.07 2.11 -0.67 0.00 0.00 0.00 175.10 176.45 1ibk n ASP 52 N 5.40 1.15 -0.11 3.32 -0.08 0.75 -4.69 116.55 122.29 1ibk n ASP 52 Ca 0.02 -2.19 -0.06 0.00 -1.51 0.00 0.00 54.79 51.05 1ibk n ASP 52 Cb 0.52 -1.63 0.02 0.00 2.34 0.00 0.00 41.12 42.37 1ibk n ASP 52 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ibk h VAL 53 N 6.92 0.90 -0.97 5.18 -1.51 -1.94 -1.19 116.25 123.65 1ibk h VAL 53 Ca 0.00 -0.10 0.14 0.00 -1.23 0.00 0.00 66.70 65.51 1ibk h VAL 53 Cb 1.00 0.57 -0.15 0.00 -2.13 0.00 0.00 31.29 30.58 1ibk h VAL 53 CO 1.01 0.06 -0.40 1.21 -1.23 0.00 0.00 177.57 178.22 1ibk n GLU 54 N -5.00 -0.25 0.09 5.19 4.07 -1.26 0.12 120.64 123.59 1ibk n GLU 54 Ca 0.02 1.50 -0.12 0.00 -0.06 0.00 0.00 57.16 58.49 1ibk n GLU 54 Cb 0.13 -2.22 -0.06 0.00 -0.06 0.00 0.00 31.44 29.23 1ibk n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ibk h ARG 55 N 0.00 -0.20 0.11 5.31 2.47 -1.78 -1.63 114.38 118.66 1ibk h ARG 55 Ca 0.32 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.06 1ibk h ARG 55 Cb 0.56 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.88 1ibk h ARG 55 CO -0.96 -0.13 -0.48 0.00 0.56 0.00 0.00 179.97 178.95 1ibk h ALA 56 N 0.69 -0.96 -0.99 0.04 0.00 0.16 0.40 119.26 118.60 1ibk h ALA 56 Ca 0.01 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.07 1ibk h ALA 56 Cb 0.21 0.86 -0.18 0.00 0.00 0.00 0.00 17.79 18.68 1ibk h ALA 56 CO -0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 179.25 178.10 1ibk h ARG 57 N -0.68 0.01 0.71 0.00 3.08 0.11 0.92 114.38 118.52 1ibk h ARG 57 Ca -0.01 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1ibk h ARG 57 Cb 0.69 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ibk h ARG 57 CO -0.26 0.00 -0.47 -0.92 -1.07 0.00 0.00 179.97 177.25 1ibk h TYR 58 N 0.01 -1.27 -0.83 3.04 5.03 0.02 0.50 116.97 123.48 1ibk h TYR 58 Ca 0.57 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 62.01 1ibk h TYR 58 Cb 1.12 0.46 -0.09 0.00 1.55 0.00 0.00 36.73 39.77 1ibk h TYR 58 CO -0.56 -0.69 0.42 -1.49 -1.32 0.00 0.00 178.16 174.51 1ibk h TRP 59 N -1.12 0.73 -0.27 -3.82 4.06 0.35 1.91 115.95 117.80 1ibk h TRP 59 Ca -0.09 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 1ibk h TRP 59 Cb 0.91 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.86 1ibk h TRP 59 CO -0.13 0.18 0.03 -0.07 -3.56 0.00 0.00 178.44 174.88 1ibk h LEU 60 N 0.61 0.36 0.00 -4.49 3.38 -0.76 0.38 115.31 114.79 1ibk h LEU 60 Ca 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1ibk h LEU 60 Cb 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ibk h LEU 60 CO -0.36 0.40 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 1ibk n SER 61 N -4.35 0.00 -0.75 -0.43 3.41 0.64 -2.95 113.62 109.20 1ibk n SER 61 Ca 0.01 0.35 0.04 0.00 -0.26 0.00 0.00 58.87 59.00 1ibk n SER 61 Cb 0.19 -0.38 0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1ibk n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1ibk n VAL 62 N -1.38 0.60 0.00 -3.33 0.31 0.12 -4.98 118.33 109.66 1ibk n VAL 62 Ca 0.02 -1.10 0.00 0.00 -0.01 0.00 0.00 64.34 63.25 1ibk n VAL 62 Cb 0.05 0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1ibk n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ibk n GLY 63 N -0.23 1.13 3.73 2.92 0.00 -1.05 -5.06 105.19 106.63 1ibk n GLY 63 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1ibk n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk s ALA 64 N -2.00 2.31 -0.41 4.61 0.00 -0.16 -4.62 121.76 121.49 1ibk s ALA 64 Ca 0.00 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.11 1ibk s ALA 64 Cb 0.00 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.76 1ibk s ALA 64 CO 0.00 -1.65 0.35 -1.14 0.00 0.00 0.00 175.76 173.32 1ibk s GLN 65 N -3.51 0.88 0.48 0.00 2.00 -1.11 -4.74 119.66 113.67 1ibk s GLN 65 Ca 0.80 -1.99 -0.22 0.00 -2.00 0.00 0.00 55.36 51.95 1ibk s GLN 65 Cb -0.35 -1.32 -0.09 0.00 0.80 0.00 0.00 33.01 32.05 1ibk s GLN 65 CO 0.41 -1.37 0.88 -0.35 -0.50 0.00 0.00 175.29 174.35 1ibk n PRO 66 N 2.94 1.04 -1.73 1.67 -0.04 -1.25 -3.47 135.00 134.16 1ibk n PRO 66 Ca 0.28 0.38 -0.32 0.00 -0.04 0.00 0.00 63.50 63.80 1ibk n PRO 66 Cb 0.48 -1.96 0.04 0.00 -0.04 0.00 0.00 33.50 32.02 1ibk n PRO 66 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ibk s THR 67 N -1.42 3.76 -1.79 0.52 2.01 -0.74 -4.64 115.64 113.33 1ibk s THR 67 Ca 0.67 0.69 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1ibk s THR 67 Cb -0.51 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1ibk s THR 67 CO 0.54 -0.63 0.17 0.47 -0.69 0.00 0.00 174.62 174.49 1ibk n ASP 68 N -2.69 0.04 0.00 3.53 9.92 -1.26 0.60 116.55 126.69 1ibk n ASP 68 Ca 0.08 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1ibk n ASP 68 Cb 0.53 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1ibk n ASP 68 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1ibk n THR 69 N -0.31 0.00 -0.19 -3.53 -1.04 -1.26 -4.23 114.28 103.71 1ibk n THR 69 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1ibk n THR 69 Cb 0.01 -0.36 0.03 0.00 -1.82 0.00 0.00 70.33 68.19 1ibk n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ibk h ALA 70 N 0.00 0.71 0.17 2.41 0.00 -1.42 0.60 119.26 121.72 1ibk h ALA 70 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ibk h ALA 70 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ibk h ALA 70 CO 0.00 0.12 -0.08 -0.09 0.00 0.00 0.00 179.25 179.20 1ibk h ARG 71 N 0.73 -0.22 -0.57 0.00 2.43 -0.11 0.30 114.38 116.95 1ibk h ARG 71 Ca 0.21 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.50 1ibk h ARG 71 Cb -0.06 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.42 1ibk h ARG 71 CO -0.06 -0.10 -0.33 -0.09 -1.51 0.00 0.00 179.97 177.88 1ibk h ARG 72 N -0.27 -0.16 -0.04 0.20 2.43 -1.57 1.10 114.38 116.07 1ibk h ARG 72 Ca -0.02 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ibk h ARG 72 Cb 0.21 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1ibk h ARG 72 CO 0.04 -0.11 0.01 -0.07 -1.51 0.00 0.00 179.97 178.33 1ibk h LEU 73 N -0.17 0.05 -0.25 3.80 3.38 -0.73 -1.16 115.31 120.24 1ibk h LEU 73 Ca 0.23 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1ibk h LEU 73 Cb 0.55 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1ibk h LEU 73 CO -0.66 0.21 -0.28 -0.07 0.09 0.00 0.00 178.44 177.73 1ibk h LEU 74 N -0.11 -0.88 -0.25 1.67 3.38 0.94 -1.34 115.31 118.71 1ibk h LEU 74 Ca 0.01 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ibk h LEU 74 Cb 0.17 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1ibk h LEU 74 CO -0.00 -0.31 -0.40 -0.09 0.09 0.00 0.00 178.44 177.74 1ibk h ARG 75 N -0.28 -0.30 0.00 1.13 2.43 0.15 0.13 114.38 117.63 1ibk h ARG 75 Ca 0.13 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ibk h ARG 75 Cb 0.50 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ibk h ARG 75 CO -0.41 -0.20 0.84 0.94 -1.51 0.00 0.00 179.97 179.63 1ibk n GLN 76 N -4.61 0.02 -1.32 0.20 7.27 -0.46 0.33 117.38 118.81 1ibk n GLN 76 Ca -0.03 0.69 -0.16 0.00 0.07 0.00 0.00 57.00 57.57 1ibk n GLN 76 Cb 0.25 -2.33 0.12 0.00 2.41 0.00 0.00 30.24 30.68 1ibk n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ibk n ALA 77 N -1.34 4.91 -4.15 1.69 0.00 0.43 -4.93 120.51 117.12 1ibk n ALA 77 Ca 0.00 -3.44 -0.41 0.00 0.00 0.00 0.00 53.44 49.59 1ibk n ALA 77 Cb 0.84 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 1ibk n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibk n GLY 78 N -0.95 -0.58 0.06 0.00 0.00 1.00 -4.79 105.19 99.94 1ibk n GLY 78 Ca 0.42 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.84 1ibk n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ibk n VAL 79 N -4.88 0.31 0.00 1.61 0.31 -1.09 -4.03 118.33 110.56 1ibk n VAL 79 Ca -0.19 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1ibk n VAL 79 Cb 0.61 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 1ibk n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1ibk n PHE 80 N -2.01 0.00 -1.43 3.52 3.01 -1.26 -4.84 117.46 114.45 1ibk n PHE 80 Ca 0.04 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.01 1ibk n PHE 80 Cb 0.42 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.80 1ibk n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ibk n ARG 81 N -1.05 0.66 -1.32 -1.08 0.63 -1.26 -4.79 116.66 108.46 1ibk n ARG 81 Ca 0.00 0.14 -0.21 0.00 -0.92 0.00 0.00 57.85 56.87 1ibk n ARG 81 Cb 0.00 -2.21 0.12 0.00 0.45 0.00 0.00 32.46 30.81 1ibk n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibk n GLN 82 N 8.22 2.58 0.00 -0.14 10.64 -1.26 -5.04 117.38 132.38 1ibk n GLN 82 Ca 0.48 -3.45 0.00 0.00 -1.83 0.00 0.00 57.00 52.20 1ibk n GLN 82 Cb 0.18 -2.12 0.00 0.00 -0.86 0.00 0.00 30.24 27.44 1ibk n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62