#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lky s ILE 16 N 0.00 4.50 -0.13 -1.33 -1.09 -1.26 -5.02 121.20 116.87 1lky s ILE 16 Ca 0.00 1.80 0.03 0.00 -2.23 0.00 0.00 60.65 60.25 1lky s ILE 16 Cb 0.00 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1lky s ILE 16 CO 0.00 -0.18 -0.22 -0.13 -1.23 0.00 0.00 174.94 173.19 1lky s ARG 17 N 3.36 2.93 0.68 2.79 0.52 -1.26 -5.06 118.95 122.91 1lky s ARG 17 Ca 0.49 -0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 1lky s ARG 17 Cb -0.18 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 32.94 1lky s ARG 17 CO 0.10 0.01 1.06 -0.51 0.02 0.00 0.00 175.30 175.98 1lky s LEU 18 N 0.77 3.18 0.24 2.53 1.43 -1.26 -4.97 118.68 120.60 1lky s LEU 18 Ca -0.09 1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 54.36 1lky s LEU 18 Cb -0.16 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.46 1lky s LEU 18 CO -0.01 -1.41 1.52 -2.84 0.23 0.00 0.00 176.35 173.85 1lky s PRO 19 N -4.90 4.21 0.37 1.29 0.02 -1.26 -4.76 135.00 129.96 1lky s PRO 19 Ca 0.59 2.40 0.20 0.00 0.02 0.00 0.00 61.00 64.21 1lky s PRO 19 Cb -0.14 -3.10 1.27 0.00 0.02 0.00 0.00 34.50 32.55 1lky s PRO 19 CO 0.52 -0.53 1.61 0.00 -0.33 0.00 0.00 177.00 178.27 1lky h ALA 20 N 5.49 2.16 0.00 -1.55 0.00 -1.97 0.44 119.26 123.82 1lky h ALA 20 Ca -0.45 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1lky h ALA 20 Cb 1.21 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1lky h ALA 20 CO 0.82 -0.87 0.00 -2.39 0.00 0.00 0.00 179.25 176.81 1lky n HIS 21 N -5.14 0.45 0.60 0.00 1.44 -1.26 -2.18 115.22 109.14 1lky n HIS 21 Ca 0.36 0.17 0.07 0.00 -2.01 0.00 0.00 57.72 56.31 1lky n HIS 21 Cb 1.21 -0.78 0.04 0.00 0.12 0.00 0.00 29.99 30.58 1lky n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1lky n LEU 22 N -1.91 2.00 -3.96 2.39 4.77 0.15 -4.86 117.00 115.58 1lky n LEU 22 Ca 0.03 -0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 54.66 1lky n LEU 22 Cb 0.23 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1lky n LEU 22 CO 0.19 0.37 2.28 -1.14 -1.33 0.00 0.00 177.39 177.75 1lky n ARG 23 N 0.55 2.45 -3.73 3.23 0.63 -0.92 -4.77 116.66 114.09 1lky n ARG 23 Ca 0.08 -2.53 -0.07 0.00 -0.92 0.00 0.00 57.85 54.41 1lky n ARG 23 Cb 0.34 -3.28 -0.02 0.00 0.45 0.00 0.00 32.46 29.95 1lky n ARG 23 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1lky s LEU 24 N 3.28 -0.29 0.16 6.15 2.34 -1.26 -5.06 118.68 123.99 1lky s LEU 24 Ca 0.53 -0.40 -0.34 0.00 0.06 0.00 0.00 54.13 53.98 1lky s LEU 24 Cb 0.11 2.48 -0.14 0.00 -0.56 0.00 0.00 46.19 48.08 1lky s LEU 24 CO 0.02 -1.10 1.56 0.00 -1.06 0.00 0.00 176.35 175.77 1lky n GLN 25 N -0.43 2.08 0.09 1.48 6.02 -1.26 -4.84 117.38 120.52 1lky n GLN 25 Ca -0.07 0.75 0.20 0.00 -0.01 0.00 0.00 57.00 57.87 1lky n GLN 25 Cb 0.61 -2.51 0.68 0.00 1.02 0.00 0.00 30.24 30.04 1lky n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1lky h PRO 26 N 5.79 0.00 0.00 -1.09 0.11 -1.95 0.18 132.00 135.03 1lky h PRO 26 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1lky h PRO 26 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1lky h PRO 26 CO 0.88 0.00 0.00 -0.84 -0.21 0.00 0.00 178.00 177.83 1lky h ILE 27 N 0.00 0.00 -0.02 4.15 3.07 -1.88 -0.71 117.51 122.12 1lky h ILE 27 Ca 0.21 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1lky h ILE 27 Cb 1.36 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 1lky h ILE 27 CO -0.00 0.00 -0.14 -1.22 -1.05 0.00 0.00 178.15 175.73 1lky n TYR 28 N -3.01 0.00 -2.23 0.16 0.53 0.62 -4.30 117.16 108.93 1lky n TYR 28 Ca -0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.48 1lky n TYR 28 Cb 0.20 -0.02 -0.02 0.00 -1.03 0.00 0.00 39.34 38.46 1lky n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 1lky s TRP 29 N -2.19 3.09 0.60 -0.72 0.52 -0.27 -4.95 118.94 115.01 1lky s TRP 29 Ca 0.28 1.51 0.04 0.00 0.02 0.00 0.00 56.10 57.96 1lky s TRP 29 Cb 0.20 -3.50 0.08 0.00 -1.15 0.00 0.00 33.47 29.09 1lky s TRP 29 CO 0.41 -1.49 0.82 -1.54 0.02 0.00 0.00 176.95 175.17 1lky s SER 30 N -0.87 4.97 0.48 2.95 1.04 -1.26 -1.68 113.70 119.33 1lky s SER 30 Ca 0.53 -0.42 0.19 0.00 0.48 0.00 0.00 55.95 56.73 1lky s SER 30 Cb -0.34 -0.23 1.19 0.00 0.10 0.00 0.00 66.02 66.74 1lky s SER 30 CO 0.44 -1.39 2.04 -0.09 0.98 0.00 0.00 173.24 175.22 1lky h ARG 31 N -0.02 0.00 -0.05 4.02 2.43 -1.90 -1.45 114.38 117.41 1lky h ARG 31 Ca -0.36 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.56 1lky h ARG 31 Cb 1.28 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1lky h ARG 31 CO 0.44 0.15 -0.94 0.22 -1.51 0.00 0.00 179.97 178.33 1lky h ASP 32 N 0.00 0.92 -0.80 -3.80 3.58 -1.93 -2.83 116.42 111.55 1lky h ASP 32 Ca -0.00 -0.70 -0.01 0.00 0.42 0.00 0.00 57.03 56.74 1lky h ASP 32 Cb 0.30 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1lky h ASP 32 CO 0.02 1.49 0.48 0.44 -2.88 0.00 0.00 179.24 178.78 1lky h ASP 33 N 0.43 0.96 -0.33 2.28 3.32 -1.75 -1.23 116.42 120.09 1lky h ASP 33 Ca -0.10 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1lky h ASP 33 Cb 1.59 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.87 1lky h ASP 33 CO 0.19 0.75 0.17 0.58 -1.72 0.00 0.00 179.24 179.21 1lky h VAL 34 N 1.10 0.99 -0.83 -1.35 2.07 -1.26 1.41 116.25 118.37 1lky h VAL 34 Ca 0.29 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1lky h VAL 34 Cb -0.03 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1lky h VAL 34 CO -0.05 0.06 0.55 0.00 0.02 0.00 0.00 177.57 178.15 1lky h ALA 35 N 1.17 1.05 -0.08 1.67 0.00 -1.23 0.72 119.26 122.56 1lky h ALA 35 Ca 0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1lky h ALA 35 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1lky h ALA 35 CO -0.10 0.45 -0.63 1.96 0.00 0.00 0.00 179.25 180.93 1lky h GLN 36 N 1.11 0.30 -0.64 0.00 4.20 -0.33 -1.83 115.11 117.92 1lky h GLN 36 Ca 0.31 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1lky h GLN 36 Cb -0.12 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 1lky h GLN 36 CO -0.07 0.83 0.36 2.35 -0.67 0.00 0.00 178.83 181.63 1lky h TRP 37 N 0.22 0.66 0.26 2.96 7.01 0.30 -1.93 115.95 125.42 1lky h TRP 37 Ca -0.01 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1lky h TRP 37 Cb 1.16 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.02 1lky h TRP 37 CO 0.03 0.33 -0.12 1.25 -2.79 0.00 0.00 178.44 177.13 1lky h LEU 38 N 0.67 -0.29 -0.77 0.65 6.46 -0.48 -0.92 115.31 120.63 1lky h LEU 38 Ca 0.28 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1lky h LEU 38 Cb 0.15 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 1lky h LEU 38 CO -0.17 -0.19 0.51 0.11 -0.62 0.00 0.00 178.44 178.08 1lky h LYS 39 N -0.37 0.99 -0.37 1.25 1.57 -1.22 -0.97 116.57 117.45 1lky h LYS 39 Ca -0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1lky h LYS 39 Cb 0.28 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1lky h LYS 39 CO 0.06 0.66 0.14 2.35 -0.57 0.00 0.00 179.45 182.08 1lky h TRP 40 N 1.02 0.57 -0.59 -1.35 7.01 -1.26 -2.81 115.95 118.53 1lky h TRP 40 Ca 0.29 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.27 1lky h TRP 40 Cb -0.09 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 1lky h TRP 40 CO -0.02 0.53 0.36 0.00 -2.79 0.00 0.00 178.44 176.52 1lky h ALA 41 N 0.98 0.77 -0.41 2.65 0.00 -0.65 0.62 119.26 123.21 1lky h ALA 41 Ca 0.12 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1lky h ALA 41 Cb 0.21 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1lky h ALA 41 CO -0.01 0.10 -0.16 0.93 0.00 0.00 0.00 179.25 180.11 1lky h GLU 42 N 0.72 -0.07 0.01 0.00 5.08 -0.97 0.28 114.58 119.63 1lky h GLU 42 Ca 0.24 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1lky h GLU 42 Cb 0.02 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1lky h GLU 42 CO -0.10 -0.04 -0.40 -0.91 -1.00 0.00 0.00 179.01 176.55 1lky h ASN 43 N -0.07 0.33 -0.61 1.42 2.35 -1.23 0.46 115.58 118.23 1lky h ASN 43 Ca 0.20 -0.80 0.05 0.00 -0.55 0.00 0.00 56.30 55.21 1lky h ASN 43 Cb 0.38 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.60 1lky h ASN 43 CO -0.47 1.09 0.33 -0.08 -1.65 0.00 0.00 177.43 176.65 1lky h GLU 44 N -0.39 0.60 -0.53 0.81 4.57 0.48 -3.01 114.58 117.10 1lky h GLU 44 Ca -0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1lky h GLU 44 Cb 1.16 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1lky h GLU 44 CO 0.08 0.40 0.00 1.19 -1.18 0.00 0.00 179.01 179.49 1lky n PHE 45 N -4.83 0.84 -3.68 0.92 3.01 0.96 -4.99 117.46 109.69 1lky n PHE 45 Ca 0.07 -0.54 -0.24 0.00 1.01 0.00 0.00 57.45 57.75 1lky n PHE 45 Cb 0.16 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1lky n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1lky n SER 46 N 0.95 -2.91 -4.89 4.37 7.64 -0.33 -4.98 113.62 113.48 1lky n SER 46 Ca 0.19 -0.89 -0.31 0.00 1.01 0.00 0.00 58.87 58.87 1lky n SER 46 Cb 0.60 -3.86 -0.05 0.00 -1.01 0.00 0.00 64.21 59.89 1lky n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1lky s LEU 47 N -6.50 4.20 0.17 -3.43 1.43 0.00 -5.02 118.68 109.53 1lky s LEU 47 Ca 0.19 0.78 -0.32 0.00 -1.03 0.00 0.00 54.13 53.75 1lky s LEU 47 Cb -0.06 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.52 1lky s LEU 47 CO 0.83 -0.04 1.77 -0.13 0.23 0.00 0.00 176.35 179.01 1lky s ARG 48 N -2.82 4.13 0.46 1.70 0.52 -1.26 -4.84 118.95 116.84 1lky s ARG 48 Ca 0.45 2.61 -0.20 0.00 -0.52 0.00 0.00 55.73 58.06 1lky s ARG 48 Cb -0.11 -3.29 -0.14 0.00 0.52 0.00 0.00 34.95 31.93 1lky s ARG 48 CO 0.23 -0.79 0.18 -2.30 0.02 0.00 0.00 175.30 172.64 1lky n PRO 49 N 4.68 0.19 -4.00 3.54 -0.02 -1.26 -4.80 135.00 133.33 1lky n PRO 49 Ca 0.17 0.07 -0.08 0.00 -2.02 0.00 0.00 63.50 61.63 1lky n PRO 49 Cb 0.36 -1.21 -0.10 0.00 -0.02 0.00 0.00 33.50 32.53 1lky n PRO 49 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1lky s ILE 50 N -1.75 0.15 -0.27 4.25 2.07 -1.26 -5.04 121.20 119.36 1lky s ILE 50 Ca 0.61 -1.26 -0.32 0.00 -1.41 0.00 0.00 60.65 58.27 1lky s ILE 50 Cb -0.56 -0.86 -0.09 0.00 0.13 0.00 0.00 42.46 41.08 1lky s ILE 50 CO 0.62 -0.69 2.18 -0.67 -1.91 0.00 0.00 174.94 174.46 1lky n ASP 51 N 0.86 2.74 -0.61 4.50 4.64 -1.26 -4.76 116.55 122.67 1lky n ASP 51 Ca -0.19 0.37 0.46 0.00 -1.38 0.00 0.00 54.79 54.05 1lky n ASP 51 Cb 0.58 -1.40 0.72 0.00 -1.04 0.00 0.00 41.12 39.98 1lky n ASP 51 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 1lky n SER 52 N 10.40 0.03 -3.57 1.67 2.88 -1.26 -1.13 113.62 122.63 1lky n SER 52 Ca 0.35 0.95 -0.27 0.00 -1.33 0.00 0.00 58.87 58.57 1lky n SER 52 Cb 0.33 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 63.22 1lky n SER 52 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1lky n ASN 53 N -3.85 3.34 -0.04 -3.46 3.02 -1.26 -4.74 115.26 108.28 1lky n ASN 53 Ca 0.40 -3.33 0.03 0.00 -0.03 0.00 0.00 54.58 51.65 1lky n ASN 53 Cb 1.76 -0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 40.09 1lky n ASN 53 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1lky n THR 54 N 1.26 0.44 -3.80 3.41 -1.04 -0.29 -4.66 114.28 109.61 1lky n THR 54 Ca 0.26 -0.55 -0.28 0.00 -2.04 0.00 0.00 64.05 61.44 1lky n THR 54 Cb 0.40 -0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.65 1lky n THR 54 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1lky n PHE 55 N -2.34 3.39 -2.62 -1.42 3.01 -1.26 -5.02 117.46 111.19 1lky n PHE 55 Ca -0.13 -4.28 -0.41 0.00 1.01 0.00 0.00 57.45 53.64 1lky n PHE 55 Cb 0.71 -0.64 -0.03 0.00 -0.01 0.00 0.00 39.48 39.51 1lky n PHE 55 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1lky s GLU 56 N -1.68 3.56 0.03 -1.08 2.02 -1.26 -4.77 118.70 115.51 1lky s GLU 56 Ca 0.28 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 1lky s GLU 56 Cb -0.00 -5.20 0.10 0.00 0.10 0.00 0.00 34.13 29.13 1lky s GLU 56 CO -0.14 -2.13 1.11 0.00 0.02 0.00 0.00 175.26 174.12 1lky s MET 57 N 4.64 0.74 0.08 1.61 0.23 -1.26 -5.13 119.30 120.21 1lky s MET 57 Ca 0.43 -0.39 -0.00 0.00 -1.03 0.00 0.00 55.69 54.70 1lky s MET 57 Cb -0.02 0.27 0.02 0.00 -1.53 0.00 0.00 34.83 33.57 1lky s MET 57 CO -0.08 -0.34 0.10 0.27 -2.03 0.00 0.00 175.02 172.95 1lky n ASN 58 N -0.41 0.13 0.01 -1.18 0.23 -1.26 -4.02 115.26 108.76 1lky n ASN 58 Ca -0.07 -1.11 -0.12 0.00 -0.53 0.00 0.00 54.58 52.75 1lky n ASN 58 Cb 0.61 -0.07 -0.08 0.00 -2.08 0.00 0.00 39.78 38.17 1lky n ASN 58 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1lky h GLY 59 N -0.07 0.03 -0.09 4.83 0.00 -1.44 -2.82 103.07 103.51 1lky h GLY 59 Ca -0.03 -0.02 0.24 0.00 0.00 0.00 0.00 47.33 47.52 1lky h GLY 59 CO 0.04 0.02 0.61 0.50 0.00 0.00 0.00 176.54 177.70 1lky h LYS 60 N -0.14 0.57 -0.24 4.80 1.57 -1.75 0.11 116.57 121.49 1lky h LYS 60 Ca 0.01 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 1lky h LYS 60 Cb 0.17 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1lky h LYS 60 CO -0.00 0.38 -0.57 0.00 -0.57 0.00 0.00 179.45 178.68 1lky h ALA 61 N 1.70 0.54 -0.95 3.86 0.00 -1.93 -3.05 119.26 119.43 1lky h ALA 61 Ca 0.63 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1lky h ALA 61 Cb 1.21 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1lky h ALA 61 CO -0.43 0.69 0.61 1.25 0.00 0.00 0.00 179.25 181.37 1lky h LEU 62 N 0.57 1.01 -1.81 0.00 5.85 -0.58 -0.60 115.31 119.75 1lky h LEU 62 Ca 0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1lky h LEU 62 Cb 1.16 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1lky h LEU 62 CO 0.12 0.68 0.00 -0.07 -0.34 0.00 0.00 178.44 178.83 1lky h LEU 63 N 1.17 0.00 0.00 2.25 3.38 -1.15 -2.54 115.31 118.41 1lky h LEU 63 Ca 0.39 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.24 1lky h LEU 63 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1lky h LEU 63 CO -0.14 0.00 -0.63 -0.07 0.09 0.00 0.00 178.44 177.69 1lky h LEU 64 N 0.00 0.00-10.21 1.67 3.38 -1.11 -3.47 115.31 105.57 1lky h LEU 64 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1lky h LEU 64 Cb 0.22 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.10 1lky h LEU 64 CO 0.00 0.52 0.36 -0.76 0.09 0.00 0.00 178.44 178.65 1lky s LEU 65 N -6.37 3.28 0.35 1.67 1.43 -0.96 -5.06 118.68 113.02 1lky s LEU 65 Ca 0.03 2.12 0.08 0.00 -1.03 0.00 0.00 54.13 55.34 1lky s LEU 65 Cb 0.08 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1lky s LEU 65 CO 0.76 -2.01 0.13 0.42 0.23 0.00 0.00 176.35 175.87 1lky s THR 66 N -2.29 2.85 0.23 5.49 -4.23 -1.26 -4.97 115.64 111.46 1lky s THR 66 Ca 0.69 -1.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.38 1lky s THR 66 Cb -0.23 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 70.89 1lky s THR 66 CO 0.46 -0.16 1.66 0.50 -0.54 0.00 0.00 174.62 176.54 1lky h LYS 67 N 1.57 0.15 -0.49 3.99 3.64 -1.97 0.29 116.57 123.74 1lky h LYS 67 Ca -0.43 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.03 1lky h LYS 67 Cb 1.25 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1lky h LYS 67 CO 0.65 0.10 0.07 0.93 -2.27 0.00 0.00 179.45 178.92 1lky h GLU 68 N 0.15 0.19 -0.64 1.90 5.08 -1.96 0.77 114.58 120.08 1lky h GLU 68 Ca 0.38 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1lky h GLU 68 Cb 0.64 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1lky h GLU 68 CO -0.56 0.13 0.40 -0.44 -1.00 0.00 0.00 179.01 177.54 1lky h ASP 69 N 0.20 0.67 -0.25 1.42 3.32 -0.90 -0.75 116.42 120.13 1lky h ASP 69 Ca 0.25 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1lky h ASP 69 Cb 0.35 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1lky h ASP 69 CO -0.35 0.48 0.13 -0.26 -1.72 0.00 0.00 179.24 177.51 1lky h PHE 70 N 0.81 0.36 -0.57 4.55 -1.00 0.03 -2.62 116.94 118.50 1lky h PHE 70 Ca 0.25 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 1lky h PHE 70 Cb -0.02 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 1lky h PHE 70 CO -0.04 0.34 0.33 -0.09 -1.61 0.00 0.00 178.31 177.23 1lky h ARG 71 N 0.28 0.77 -0.52 1.51 2.43 -0.53 0.19 114.38 118.50 1lky h ARG 71 Ca 0.09 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1lky h ARG 71 Cb 0.11 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1lky h ARG 71 CO -0.01 0.55 0.06 -0.92 -1.51 0.00 0.00 179.97 178.14 1lky h TYR 72 N 0.78 0.95 0.00 2.20 -0.00 -0.92 -1.59 116.97 118.39 1lky h TYR 72 Ca 0.20 -0.14 -0.10 0.00 -0.00 0.00 0.00 58.73 58.69 1lky h TYR 72 Cb -0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 36.73 36.45 1lky h TYR 72 CO 0.00 0.86 -0.48 0.00 -0.00 0.00 0.00 178.16 178.54 1lky h ARG 73 N 0.76 0.00 -2.03 1.82 3.08 -1.05 -3.40 114.38 113.56 1lky h ARG 73 Ca 0.16 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.88 1lky h ARG 73 Cb 0.44 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.17 1lky h ARG 73 CO 0.02 0.48 -0.64 0.45 -1.07 0.00 0.00 179.97 179.20 1lky s SER 74 N -6.84 1.37 0.42 7.04 0.15 0.00 -5.02 113.70 110.83 1lky s SER 74 Ca -0.02 -1.01 0.11 0.00 0.70 0.00 0.00 55.95 55.73 1lky s SER 74 Cb 0.13 0.58 0.95 0.00 -1.71 0.00 0.00 66.02 65.97 1lky s SER 74 CO 0.74 -0.34 2.02 -0.65 1.20 0.00 0.00 173.24 176.20 1lky h PRO 75 N 7.83 0.47 0.00 5.44 0.11 -1.52 0.44 132.00 144.77 1lky h PRO 75 Ca -0.06 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1lky h PRO 75 Cb 1.07 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1lky h PRO 75 CO 0.28 0.31 -1.32 0.72 -0.21 0.00 0.00 178.00 177.78 1lky n HIS 76 N -4.47 0.72 -0.07 0.65 8.25 -1.26 -4.56 115.22 114.47 1lky n HIS 76 Ca 0.07 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1lky n HIS 76 Cb 0.23 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.47 1lky n HIS 76 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1lky n SER 77 N -2.60 0.15 -0.21 0.41 7.64 -1.18 -4.80 113.62 113.03 1lky n SER 77 Ca -0.03 -0.49 0.02 0.00 1.01 0.00 0.00 58.87 59.38 1lky n SER 77 Cb 0.60 0.53 0.12 0.00 -1.01 0.00 0.00 64.21 64.45 1lky n SER 77 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1lky h GLY 78 N 0.00 0.84 0.90 0.23 0.00 -1.11 -0.71 103.07 103.23 1lky h GLY 78 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1lky h GLY 78 CO 0.00 -0.11 -0.30 -0.55 0.00 0.00 0.00 176.54 175.59 1lky h ASP 79 N 0.30 -0.73 -0.48 0.19 3.32 -1.84 0.35 116.42 117.52 1lky h ASP 79 Ca 0.33 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.49 1lky h ASP 79 Cb 0.50 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 1lky h ASP 79 CO -0.40 -0.48 0.17 -0.09 -1.72 0.00 0.00 179.24 176.73 1lky h ARG 80 N -0.76 0.34 -0.54 3.56 9.65 -1.88 0.13 114.38 124.88 1lky h ARG 80 Ca -0.06 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 1lky h ARG 80 Cb 0.61 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.05 1lky h ARG 80 CO 0.08 0.23 0.18 -0.07 2.80 0.00 0.00 179.97 183.18 1lky h LEU 81 N 0.35 0.17 -0.50 3.80 3.38 -0.90 0.18 115.31 121.79 1lky h LEU 81 Ca 0.23 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1lky h LEU 81 Cb 0.24 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1lky h LEU 81 CO -0.23 0.12 0.33 0.22 0.09 0.00 0.00 178.44 178.96 1lky h TYR 82 N 0.35 0.62 -0.87 1.13 3.20 0.49 -1.99 116.97 119.91 1lky h TYR 82 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1lky h TYR 82 Cb 0.31 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1lky h TYR 82 CO -0.17 0.38 0.50 0.93 -1.64 0.00 0.00 178.16 178.15 1lky h GLU 83 N 0.66 1.19 -0.28 1.82 5.08 0.51 -0.28 114.58 123.28 1lky h GLU 83 Ca 0.19 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1lky h GLU 83 Cb -0.06 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1lky h GLU 83 CO -0.05 0.85 0.07 1.25 -1.00 0.00 0.00 179.01 180.14 1lky h LEU 84 N 1.20 0.42 -0.74 1.33 5.85 -0.30 0.09 115.31 123.16 1lky h LEU 84 Ca 0.31 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1lky h LEU 84 Cb -0.01 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1lky h LEU 84 CO -0.05 0.53 0.44 0.25 -0.34 0.00 0.00 178.44 179.27 1lky h LEU 85 N 0.28 0.89 -1.03 2.25 5.85 -1.06 0.15 115.31 122.64 1lky h LEU 85 Ca 0.09 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1lky h LEU 85 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1lky h LEU 85 CO 0.00 0.70 0.14 1.56 -0.34 0.00 0.00 178.44 180.50 1lky h GLN 86 N 1.01 0.83 0.41 1.25 1.08 -0.77 -1.85 115.11 117.08 1lky h GLN 86 Ca 0.26 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1lky h GLN 86 Cb -0.03 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1lky h GLN 86 CO -0.05 0.75 -0.20 1.25 -0.95 0.00 0.00 178.83 179.63 1lky h HIS 87 N 0.81 -0.51 -1.03 2.96 2.76 -0.24 0.45 115.15 120.35 1lky h HIS 87 Ca 0.18 -0.01 0.29 0.00 -2.20 0.00 0.00 60.37 58.63 1lky h HIS 87 Cb 0.29 0.17 -0.13 0.00 1.55 0.00 0.00 27.41 29.29 1lky h HIS 87 CO 0.02 -0.20 0.62 0.82 -1.30 0.00 0.00 177.93 177.89 1lky h ILE 88 N -0.82 0.41 0.01 6.26 2.04 -0.50 -1.41 117.51 123.49 1lky h ILE 88 Ca -0.06 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1lky h ILE 88 Cb 0.54 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1lky h ILE 88 CO 0.09 0.08 -0.01 -0.07 0.00 0.00 0.00 178.15 178.24 1lky h LEU 89 N 0.41 -0.01 -0.87 1.44 3.38 -1.20 -3.24 115.31 115.22 1lky h LEU 89 Ca 0.69 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1lky h LEU 89 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1lky h LEU 89 CO -0.49 0.79 0.00 0.29 0.09 0.00 0.00 178.44 179.12 1lky n LYS 90 N -4.71 0.58 0.00 1.13 5.02 0.14 -5.11 118.16 115.21 1lky n LYS 90 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1lky n LYS 90 Cb 0.38 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1lky n LYS 90 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82