#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lky n ILE 16 N 0.00 0.00 -0.36 -1.33 -0.00 -1.26 -5.05 119.36 111.36 1lky n ILE 16 Ca 0.00 1.08 0.00 0.00 -0.00 0.00 0.00 62.75 63.83 1lky n ILE 16 Cb 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 39.64 37.57 1lky n ILE 16 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1lky n ARG 17 N -0.77 0.00 -1.44 6.28 1.74 -1.26 -5.08 116.66 116.13 1lky n ARG 17 Ca 0.00 0.35 -0.29 0.00 -0.77 0.00 0.00 57.85 57.13 1lky n ARG 17 Cb 0.00 -0.02 0.12 0.00 -1.02 0.00 0.00 32.46 31.54 1lky n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1lky s LEU 18 N 0.00 2.30 0.43 0.55 1.43 -1.26 -4.98 118.68 117.15 1lky s LEU 18 Ca 0.00 1.25 -0.25 0.00 -1.03 0.00 0.00 54.13 54.10 1lky s LEU 18 Cb 0.00 -3.72 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 1lky s LEU 18 CO 0.00 -2.35 1.33 -2.84 0.23 0.00 0.00 176.35 172.72 1lky s PRO 19 N -5.12 3.85 0.36 1.29 0.02 -1.26 -4.83 135.00 129.31 1lky s PRO 19 Ca 0.62 2.20 0.18 0.00 0.02 0.00 0.00 61.00 64.02 1lky s PRO 19 Cb -0.16 -2.69 1.25 0.00 0.02 0.00 0.00 34.50 32.92 1lky s PRO 19 CO 0.55 -0.60 1.59 0.00 -0.33 0.00 0.00 177.00 178.20 1lky h ALA 20 N 2.51 2.02 0.00 -1.55 0.00 -2.02 0.29 119.26 120.51 1lky h ALA 20 Ca -0.50 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1lky h ALA 20 Cb 1.25 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1lky h ALA 20 CO 0.62 -0.87 0.00 1.25 0.00 0.00 0.00 179.25 180.25 1lky h HIS 21 N 0.04 0.00 -0.15 0.00 -0.00 -2.04 -2.93 115.15 110.06 1lky h HIS 21 Ca 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.18 1lky h HIS 21 Cb 2.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.47 1lky h HIS 21 CO -0.07 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 179.14 1lky n LEU 22 N -2.98 3.17 0.00 0.26 4.77 0.10 -4.71 117.00 117.62 1lky n LEU 22 Ca -0.01 -2.97 0.15 0.00 -0.03 0.00 0.00 56.01 53.15 1lky n LEU 22 Cb 0.15 -0.47 0.83 0.00 -2.33 0.00 0.00 43.42 41.61 1lky n LEU 22 CO 0.22 0.68 1.05 0.54 -1.33 0.00 0.00 177.39 178.55 1lky n ARG 23 N -0.84 0.66 -1.86 3.23 1.74 -1.11 -4.83 116.66 113.66 1lky n ARG 23 Ca 0.18 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.96 1lky n ARG 23 Cb 0.75 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.75 1lky n ARG 23 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1lky s LEU 24 N -2.34 2.83 0.30 0.55 2.34 -1.26 -4.98 118.68 116.13 1lky s LEU 24 Ca 0.36 1.11 -0.30 0.00 0.06 0.00 0.00 54.13 55.37 1lky s LEU 24 Cb 0.21 -3.86 -0.11 0.00 -0.56 0.00 0.00 46.19 41.87 1lky s LEU 24 CO 0.42 -1.45 1.52 -1.10 -1.06 0.00 0.00 176.35 174.68 1lky s GLN 25 N -5.37 4.17 0.53 1.48 -0.21 -1.26 -4.87 119.66 114.13 1lky s GLN 25 Ca 0.59 2.49 0.42 0.00 0.02 0.00 0.00 55.36 58.87 1lky s GLN 25 Cb -0.11 -3.04 1.61 0.00 1.00 0.00 0.00 33.01 32.47 1lky s GLN 25 CO 0.52 -0.54 1.66 -1.35 -2.12 0.00 0.00 175.29 173.46 1lky h PRO 26 N 4.47 0.03 -0.67 2.91 0.11 -1.93 0.25 132.00 137.17 1lky h PRO 26 Ca -0.48 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1lky h PRO 26 Cb 1.22 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1lky h PRO 26 CO 0.75 0.02 0.44 0.97 -0.21 0.00 0.00 178.00 179.97 1lky h ILE 27 N 0.03 1.05 -0.34 4.15 6.09 -1.89 -1.63 117.51 124.96 1lky h ILE 27 Ca 0.79 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 64.03 1lky h ILE 27 Cb 3.03 0.25 0.00 0.00 0.47 0.00 0.00 36.82 40.57 1lky h ILE 27 CO -0.09 0.13 0.00 -1.22 -3.07 0.00 0.00 178.15 173.90 1lky n TYR 28 N -4.47 0.44 -2.44 2.19 4.02 0.89 -4.05 117.16 113.74 1lky n TYR 28 Ca 0.09 -0.22 -0.42 0.00 -0.01 0.00 0.00 57.90 57.34 1lky n TYR 28 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 1lky n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1lky s TRP 29 N -1.56 3.48 0.87 -0.72 0.52 -0.61 -4.96 118.94 115.97 1lky s TRP 29 Ca 0.29 1.42 -0.14 0.00 0.02 0.00 0.00 56.10 57.69 1lky s TRP 29 Cb 0.16 -3.38 0.13 0.00 -1.15 0.00 0.00 33.47 29.23 1lky s TRP 29 CO 0.21 -1.05 1.23 -1.54 0.02 0.00 0.00 176.95 175.82 1lky s SER 30 N 0.54 3.91 0.22 2.95 1.04 -1.26 -0.80 113.70 120.29 1lky s SER 30 Ca 0.55 0.59 -0.06 0.00 0.48 0.00 0.00 55.95 57.51 1lky s SER 30 Cb -0.30 -0.92 0.19 0.00 0.10 0.00 0.00 66.02 65.09 1lky s SER 30 CO 0.32 -2.26 1.72 -0.09 0.98 0.00 0.00 173.24 173.91 1lky h ARG 31 N -1.31 1.02 -0.89 4.02 2.43 -1.91 -1.72 114.38 116.02 1lky h ARG 31 Ca -0.46 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.43 1lky h ARG 31 Cb 1.29 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 1lky h ARG 31 CO 0.55 0.94 0.50 0.22 -1.51 0.00 0.00 179.97 180.67 1lky h ASP 32 N 0.96 1.10 0.13 -3.80 3.58 -1.93 -1.68 116.42 114.78 1lky h ASP 32 Ca 0.19 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 1lky h ASP 32 Cb 0.43 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1lky h ASP 32 CO 0.01 0.88 -0.18 0.44 -2.88 0.00 0.00 179.24 177.51 1lky h ASP 33 N 1.24 0.11 -0.28 2.28 3.32 -1.74 -2.17 116.42 119.18 1lky h ASP 33 Ca 0.31 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1lky h ASP 33 Cb 0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1lky h ASP 33 CO -0.05 0.31 -0.17 0.58 -1.72 0.00 0.00 179.24 178.19 1lky h VAL 34 N 0.11 1.30 -0.41 -1.35 2.07 -0.45 -0.53 116.25 116.99 1lky h VAL 34 Ca 0.02 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1lky h VAL 34 Cb 0.40 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1lky h VAL 34 CO 0.03 0.41 0.13 0.00 0.02 0.00 0.00 177.57 178.16 1lky h ALA 35 N 0.73 0.54 -0.47 1.67 0.00 -1.31 -1.80 119.26 118.62 1lky h ALA 35 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1lky h ALA 35 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1lky h ALA 35 CO 0.05 0.18 0.31 1.96 0.00 0.00 0.00 179.25 181.75 1lky h GLN 36 N 0.52 0.58 -0.30 0.00 4.20 -1.29 -1.77 115.11 117.05 1lky h GLN 36 Ca 0.13 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1lky h GLN 36 Cb 0.25 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1lky h GLN 36 CO -0.01 0.38 -0.04 2.35 -0.67 0.00 0.00 178.83 180.84 1lky h TRP 37 N 0.59 0.61 -0.49 2.96 7.01 -0.50 -1.37 115.95 124.76 1lky h TRP 37 Ca 0.18 -0.12 0.03 0.00 2.11 0.00 0.00 58.89 61.08 1lky h TRP 37 Cb -0.01 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1lky h TRP 37 CO -0.00 0.73 0.28 -0.07 -2.79 0.00 0.00 178.44 176.59 1lky h LEU 38 N 0.33 0.44 -0.40 0.65 3.38 -0.54 0.26 115.31 119.44 1lky h LEU 38 Ca 0.08 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1lky h LEU 38 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1lky h LEU 38 CO 0.02 0.31 0.26 0.11 0.09 0.00 0.00 178.44 179.24 1lky h LYS 39 N 0.56 0.51 -0.32 1.13 6.56 -1.23 0.18 116.57 123.96 1lky h LYS 39 Ca 0.20 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.77 1lky h LYS 39 Cb 0.04 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.56 1lky h LYS 39 CO -0.10 0.34 0.19 2.35 -2.06 0.00 0.00 179.45 180.16 1lky h TRP 40 N 0.53 0.35 -0.67 -1.35 7.01 -0.79 -2.28 115.95 118.74 1lky h TRP 40 Ca 0.15 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 1lky h TRP 40 Cb -0.05 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 1lky h TRP 40 CO -0.05 0.21 0.10 0.00 -2.79 0.00 0.00 178.44 175.91 1lky h ALA 41 N 1.14 0.92 -1.00 2.65 0.00 -0.55 0.80 119.26 123.22 1lky h ALA 41 Ca 0.12 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1lky h ALA 41 Cb -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1lky h ALA 41 CO -0.06 0.67 0.65 1.49 0.00 0.00 0.00 179.25 182.00 1lky h GLU 42 N 1.03 1.22 0.08 0.00 4.81 -0.37 -0.43 114.58 120.93 1lky h GLU 42 Ca 0.20 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1lky h GLU 42 Cb 0.44 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1lky h GLU 42 CO 0.01 0.81 -0.04 -0.97 -0.73 0.00 0.00 179.01 178.09 1lky h ASN 43 N 1.26 -0.09 -0.29 1.04 -0.00 -1.13 -1.41 115.58 114.95 1lky h ASN 43 Ca 0.40 -0.21 0.08 0.00 -0.00 0.00 0.00 56.30 56.58 1lky h ASN 43 Cb 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.35 1lky h ASN 43 CO -0.13 0.48 0.24 -0.08 -0.00 0.00 0.00 177.43 177.94 1lky h GLU 44 N -1.00 0.00 -0.08 6.67 4.57 -0.84 -2.82 114.58 121.07 1lky h GLU 44 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1lky h GLU 44 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1lky h GLU 44 CO 0.02 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.04 1lky n PHE 45 N -4.20 0.19 -3.93 0.92 3.01 -0.17 -5.01 117.46 108.27 1lky n PHE 45 Ca 0.04 -0.75 -0.27 0.00 1.01 0.00 0.00 57.45 57.49 1lky n PHE 45 Cb 0.39 -0.12 -0.00 0.00 -0.01 0.00 0.00 39.48 39.74 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 -0.75 -1.55 -4.94 4.37 7.64 -0.91 -4.97 113.62 112.51 1lky n SER 46 Ca 0.11 -0.93 -0.24 0.00 1.01 0.00 0.00 58.87 58.81 1lky n SER 46 Cb 0.51 -3.35 0.03 0.00 -1.01 0.00 0.00 64.21 60.39 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 -6.99 3.35 0.83 -3.43 1.43 -0.58 -5.05 118.68 108.24 1lky s LEU 47 Ca 0.20 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 1lky s LEU 47 Cb -0.10 -3.20 0.09 0.00 0.03 0.00 0.00 46.19 43.00 1lky s LEU 47 CO 0.87 -1.01 1.10 -0.13 0.23 0.00 0.00 176.35 177.41 1lky s ARG 48 N -4.81 1.83 0.22 1.70 0.52 -1.26 -4.84 118.95 112.31 1lky s ARG 48 Ca 0.53 0.62 -0.31 0.00 -0.52 0.00 0.00 55.73 56.06 1lky s ARG 48 Cb -0.10 -1.89 -0.15 0.00 0.52 0.00 0.00 34.95 33.33 1lky s ARG 48 CO 0.41 -1.80 1.13 -2.30 0.02 0.00 0.00 175.30 172.76 1lky n PRO 49 N -3.55 1.30 -4.03 3.54 -0.02 -1.26 -4.95 135.00 126.04 1lky n PRO 49 Ca 0.07 0.46 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 1lky n PRO 49 Cb 0.56 -1.93 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 1lky n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1lky s ILE 50 N -0.46 1.89 0.06 4.25 1.01 -1.26 -5.04 121.20 121.65 1lky s ILE 50 Ca 0.68 -1.33 -0.31 0.00 0.00 0.00 0.00 60.65 59.69 1lky s ILE 50 Cb -0.78 -2.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.62 1lky s ILE 50 CO 0.54 0.05 1.36 -0.62 0.00 0.00 0.00 174.94 176.27 1lky s ASP 51 N 1.25 6.88 0.36 3.58 3.68 -1.26 -4.88 116.67 126.28 1lky s ASP 51 Ca -0.05 2.19 0.03 0.00 2.13 0.00 0.00 52.55 56.85 1lky s ASP 51 Cb -0.18 -2.58 0.66 0.00 -1.45 0.00 0.00 42.92 39.38 1lky s ASP 51 CO -0.07 -0.64 2.00 0.28 0.13 0.00 0.00 175.17 176.87 1lky h SER 52 N 7.19 0.65 0.00 -0.34 0.02 -1.97 -1.93 113.55 117.18 1lky h SER 52 Ca -0.40 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1lky h SER 52 Cb 1.20 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1lky h SER 52 CO 0.87 0.51 0.00 0.59 -1.14 0.00 0.00 176.83 177.66 1lky n ASN 53 N -4.42 0.00 -0.01 3.07 3.02 -1.26 -0.52 115.26 115.14 1lky n ASN 53 Ca 0.05 -0.27 0.09 0.00 -0.03 0.00 0.00 54.58 54.43 1lky n ASN 53 Cb 0.08 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.62 0.00 -2.68 3.41 -1.04 -0.72 -4.55 114.28 108.07 1lky n THR 54 Ca 0.01 -0.31 -0.15 0.00 -2.04 0.00 0.00 64.05 61.56 1lky n THR 54 Cb 0.00 0.37 0.01 0.00 -1.82 0.00 0.00 70.33 68.90 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 -1.93 1.69 -2.44 -1.42 3.01 0.32 -4.93 117.46 111.76 1lky n PHE 55 Ca -0.01 -3.02 -0.38 0.00 1.01 0.00 0.00 57.45 55.04 1lky n PHE 55 Cb 0.43 -0.32 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 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 -3.16 3.44 0.09 -1.08 2.02 -1.22 -4.80 118.70 113.99 1lky s GLU 56 Ca 0.34 -1.23 -0.27 0.00 0.02 0.00 0.00 54.97 53.83 1lky s GLU 56 Cb 0.43 -5.35 0.08 0.00 0.10 0.00 0.00 34.13 29.39 1lky s GLU 56 CO -0.03 -2.56 0.99 0.00 0.02 0.00 0.00 175.26 173.68 1lky s MET 57 N 5.22 1.00 0.33 1.61 0.23 -1.26 -5.14 119.30 121.30 1lky s MET 57 Ca 0.54 -0.52 0.02 0.00 -1.03 0.00 0.00 55.69 54.70 1lky s MET 57 Cb -0.00 0.37 0.06 0.00 -1.53 0.00 0.00 34.83 33.73 1lky s MET 57 CO -0.02 -0.46 0.46 0.27 -2.03 0.00 0.00 175.02 173.24 1lky n ASN 58 N -0.41 0.83 0.04 -1.18 0.23 -1.26 -4.14 115.26 109.36 1lky n ASN 58 Ca -0.07 -1.65 -0.01 0.00 -0.53 0.00 0.00 54.58 52.32 1lky n ASN 58 Cb 0.61 -0.28 0.27 0.00 -2.08 0.00 0.00 39.78 38.31 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 -0.16 0.46 0.69 4.83 0.00 -1.13 -2.03 103.07 105.74 1lky h GLY 59 Ca -0.15 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 46.90 1lky h GLY 59 CO 0.18 0.30 0.26 0.50 0.00 0.00 0.00 176.54 177.78 1lky h LYS 60 N 0.40 0.48 -0.35 4.80 1.57 -1.73 -0.97 116.57 120.77 1lky h LYS 60 Ca 0.07 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1lky h LYS 60 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1lky h LYS 60 CO 0.03 0.32 -0.13 0.00 -0.57 0.00 0.00 179.45 179.10 1lky h ALA 61 N 1.29 0.49 -0.61 3.86 0.00 -1.90 -3.08 119.26 119.31 1lky h ALA 61 Ca 0.23 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1lky h ALA 61 Cb 0.16 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1lky h ALA 61 CO -0.17 0.37 0.09 1.25 0.00 0.00 0.00 179.25 180.79 1lky h LEU 62 N 0.49 -0.08 -0.91 0.00 5.85 -0.68 0.18 115.31 120.15 1lky h LEU 62 Ca 0.08 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1lky h LEU 62 Cb 0.65 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1lky h LEU 62 CO 0.04 -0.03 0.00 0.18 -0.34 0.00 0.00 178.44 178.29 1lky n LEU 63 N -5.18 0.41 0.09 2.25 4.77 -0.43 -1.66 117.00 117.25 1lky n LEU 63 Ca 0.09 0.67 0.07 0.00 -0.03 0.00 0.00 56.01 56.81 1lky n LEU 63 Cb 0.34 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1lky n LEU 63 CO 0.15 -0.76 0.02 -0.07 -1.33 0.00 0.00 177.39 175.40 1lky h LEU 64 N 0.00 0.00 -9.80 2.23 3.38 -0.68 -3.47 115.31 106.97 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 0.06 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.87 1lky h LEU 64 CO 0.00 0.24 0.70 -0.76 0.09 0.00 0.00 178.44 178.71 1lky s LEU 65 N -5.67 4.40 0.53 1.67 1.43 -0.66 -5.04 118.68 115.35 1lky s LEU 65 Ca -0.00 2.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.77 1lky s LEU 65 Cb 0.09 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1lky s LEU 65 CO 0.78 -0.62 0.76 0.42 0.23 0.00 0.00 176.35 177.92 1lky s THR 66 N -0.51 2.88 0.20 5.49 -4.23 -1.26 -4.92 115.64 113.29 1lky s THR 66 Ca 0.54 -0.64 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1lky s THR 66 Cb -0.40 -3.07 0.14 0.00 1.34 0.00 0.00 72.50 70.50 1lky s THR 66 CO 0.47 -0.05 1.70 0.50 -0.54 0.00 0.00 174.62 176.70 1lky h LYS 67 N 0.13 0.20 -0.81 3.99 3.64 -1.96 0.87 116.57 122.63 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 1.29 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 1lky h LYS 67 CO 0.53 0.13 0.47 1.49 -2.27 0.00 0.00 179.45 179.79 1lky h GLU 68 N 0.20 0.78 -0.93 1.90 4.22 -1.97 0.35 114.58 119.14 1lky h GLU 68 Ca 0.28 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1lky h GLU 68 Cb 0.41 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1lky h GLU 68 CO -0.39 0.51 0.59 -0.44 -2.18 0.00 0.00 179.01 177.10 1lky h ASP 69 N 0.80 1.09 0.10 1.04 3.45 -1.24 0.80 116.42 122.46 1lky h ASP 69 Ca 0.38 -0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.79 1lky h ASP 69 Cb 0.32 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1lky h ASP 69 CO -0.23 0.81 -0.05 -0.26 -1.57 0.00 0.00 179.24 177.94 1lky h PHE 70 N 1.26 -0.13 -0.93 4.55 -1.00 -0.21 -2.48 116.94 118.01 1lky h PHE 70 Ca 0.34 -0.00 0.22 0.00 2.81 0.00 0.00 57.97 61.33 1lky h PHE 70 Cb -0.10 0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.43 1lky h PHE 70 CO -0.00 0.27 0.62 -0.09 -1.61 0.00 0.00 178.31 177.49 1lky h ARG 71 N -0.55 0.35 -0.26 1.51 2.43 0.22 0.34 114.38 118.42 1lky h ARG 71 Ca -0.01 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 1lky h ARG 71 Cb 0.45 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1lky h ARG 71 CO 0.02 0.23 -0.50 -0.92 -1.51 0.00 0.00 179.97 177.30 1lky h TYR 72 N 0.36 0.88 0.03 2.20 3.20 0.78 -2.34 116.97 122.07 1lky h TYR 72 Ca 0.49 -0.29 -0.21 0.00 3.14 0.00 0.00 58.73 61.85 1lky h TYR 72 Cb 1.30 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1lky h TYR 72 CO -0.00 1.06 -0.99 0.00 -1.64 0.00 0.00 178.16 176.60 1lky h ARG 73 N 0.56 0.12 -2.41 1.82 3.08 -0.32 -3.41 114.38 113.81 1lky h ARG 73 Ca 0.02 -0.16 -0.47 0.00 0.07 0.00 0.00 59.98 59.44 1lky h ARG 73 Cb 1.06 0.06 -0.36 0.00 0.08 0.00 0.00 29.97 30.80 1lky h ARG 73 CO 0.10 1.00 -0.75 0.45 -1.07 0.00 0.00 179.97 179.71 1lky s SER 74 N -6.88 2.47 0.20 7.04 0.15 0.93 -4.99 113.70 112.61 1lky s SER 74 Ca -0.01 -1.52 -0.11 0.00 0.70 0.00 0.00 55.95 55.01 1lky s SER 74 Cb 0.10 0.01 0.22 0.00 -1.71 0.00 0.00 66.02 64.63 1lky s SER 74 CO 0.83 -0.35 1.79 -0.65 1.20 0.00 0.00 173.24 176.06 1lky h PRO 75 N 7.66 0.54 0.01 5.44 0.11 -1.66 1.10 132.00 145.20 1lky h PRO 75 Ca -0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1lky h PRO 75 Cb 1.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1lky h PRO 75 CO 0.31 0.36 -0.00 0.45 -0.21 0.00 0.00 178.00 178.91 1lky h HIS 76 N 0.56 -0.01 0.00 0.65 3.86 -1.96 -3.38 115.15 114.88 1lky h HIS 76 Ca 0.28 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1lky h HIS 76 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1lky h HIS 76 CO -0.11 0.54 -1.30 0.43 0.86 0.00 0.00 177.93 178.35 1lky n SER 77 N -4.83 0.53 -0.29 2.45 7.64 -1.19 -4.67 113.62 113.25 1lky n SER 77 Ca -0.09 -0.28 -0.11 0.00 1.01 0.00 0.00 58.87 59.40 1lky n SER 77 Cb 0.28 1.16 -0.09 0.00 -1.01 0.00 0.00 64.21 64.55 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 4.45 -1.02 0.37 0.23 0.00 0.11 0.87 103.07 108.07 1lky h GLY 78 Ca 0.00 0.79 0.09 0.00 0.00 0.00 0.00 47.33 48.21 1lky h GLY 78 CO 0.00 -0.08 0.19 -0.55 0.00 0.00 0.00 176.54 176.09 1lky h ASP 79 N -0.14 0.15 0.22 0.19 3.45 -1.83 0.15 116.42 118.62 1lky h ASP 79 Ca 0.12 0.08 -0.15 0.00 0.43 0.00 0.00 57.03 57.51 1lky h ASP 79 Cb 0.44 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1lky h ASP 79 CO -0.75 0.10 -0.56 -0.09 -1.57 0.00 0.00 179.24 176.37 1lky h ARG 80 N 0.35 0.36 -0.61 3.56 2.43 -1.75 -2.16 114.38 116.56 1lky h ARG 80 Ca 0.29 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1lky h ARG 80 Cb 0.37 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1lky h ARG 80 CO -0.31 0.82 0.18 -0.07 -1.51 0.00 0.00 179.97 179.07 1lky h LEU 81 N 0.28 0.90 0.20 3.80 3.38 -0.12 -0.28 115.31 123.47 1lky h LEU 81 Ca 0.00 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1lky h LEU 81 Cb 1.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1lky h LEU 81 CO 0.09 0.88 -0.28 0.22 0.09 0.00 0.00 178.44 179.45 1lky h TYR 82 N 0.88 -0.74 -0.49 1.13 3.20 -0.59 -0.96 116.97 119.39 1lky h TYR 82 Ca 0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1lky h TYR 82 Cb 0.31 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1lky h TYR 82 CO 0.02 -0.39 0.07 0.93 -1.64 0.00 0.00 178.16 177.15 1lky h GLU 83 N -0.54 0.77 -0.61 1.82 4.39 -1.31 -0.68 114.58 118.42 1lky h GLU 83 Ca 0.01 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.58 1lky h GLU 83 Cb 0.53 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1lky h GLU 83 CO -0.11 0.73 0.34 1.25 -1.16 0.00 0.00 179.01 180.07 1lky h LEU 84 N 0.74 0.52 -0.47 1.33 5.85 -0.69 0.27 115.31 122.86 1lky h LEU 84 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1lky h LEU 84 Cb 0.35 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1lky h LEU 84 CO 0.01 0.35 0.30 0.25 -0.34 0.00 0.00 178.44 179.01 1lky h LEU 85 N 0.66 0.54 -0.67 2.25 5.85 -0.17 -2.12 115.31 121.65 1lky h LEU 85 Ca 0.27 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1lky h LEU 85 Cb 0.12 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1lky h LEU 85 CO -0.15 0.40 0.35 1.56 -0.34 0.00 0.00 178.44 180.26 1lky h GLN 86 N 0.63 0.60 -0.37 1.25 1.08 0.29 -1.78 115.11 116.81 1lky h GLN 86 Ca 0.17 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1lky h GLN 86 Cb -0.06 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 1lky h GLN 86 CO -0.04 0.40 0.22 1.25 -0.95 0.00 0.00 178.83 179.71 1lky h HIS 87 N 0.62 0.40 -0.91 2.96 -0.00 0.01 -0.48 115.15 117.75 1lky h HIS 87 Ca 0.32 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.75 1lky h HIS 87 Cb 0.27 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.49 1lky h HIS 87 CO -0.10 0.23 0.58 0.82 -0.00 0.00 0.00 177.93 179.46 1lky h ILE 88 N 0.44 1.08 0.46 6.26 2.04 -0.77 -0.86 117.51 126.16 1lky h ILE 88 Ca 0.15 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1lky h ILE 88 Cb 0.01 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1lky h ILE 88 CO -0.07 0.20 -0.22 -0.07 0.00 0.00 0.00 178.15 177.98 1lky h LEU 89 N 1.07 -0.52 -0.38 1.44 3.38 -0.67 -3.26 115.31 116.37 1lky h LEU 89 Ca 0.39 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1lky h LEU 89 Cb 0.13 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1lky h LEU 89 CO -0.16 -0.19 0.13 0.11 0.09 0.00 0.00 178.44 178.42 1lky h LYS 90 N -0.88 0.27 0.00 1.13 1.57 -1.00 -3.52 116.57 114.15 1lky h LYS 90 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1lky h LYS 90 Cb 0.57 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1lky h LYS 90 CO 0.10 0.18 0.00 0.94 -0.57 0.00 0.00 179.45 180.10