#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 -3.06 -1.33 -0.00 -1.26 -5.03 119.36 108.68 1lky n ILE 16 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.44 1lky n ILE 16 Cb 0.00 -1.74 -0.04 0.00 -0.00 0.00 0.00 39.64 37.86 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 -0.52 3.50 -2.27 0.38 1.74 -1.26 -5.06 116.66 113.17 1lky n ARG 17 Ca 0.00 -4.74 -0.41 0.00 -0.77 0.00 0.00 57.85 51.93 1lky n ARG 17 Cb 0.00 -2.32 -0.03 0.00 -1.02 0.00 0.00 32.46 29.09 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 -3.20 4.45 0.96 0.55 1.43 -1.26 -4.98 118.68 116.63 1lky s LEU 18 Ca 0.42 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 55.82 1lky s LEU 18 Cb 0.19 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.93 1lky s LEU 18 CO -0.06 -0.43 0.92 -2.65 0.23 0.00 0.00 176.35 174.36 1lky n PRO 19 N 1.92 -0.64 -0.08 1.29 -0.02 -1.26 -4.80 135.00 131.41 1lky n PRO 19 Ca 0.03 -0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 1lky n PRO 19 Cb 0.43 -2.21 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1lky n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lky h ALA 20 N -1.90 -0.02 0.00 3.55 0.00 -2.02 -1.79 119.26 117.09 1lky h ALA 20 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1lky h ALA 20 Cb 1.28 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1lky h ALA 20 CO 0.40 -0.62 0.18 0.45 0.00 0.00 0.00 179.25 179.66 1lky h HIS 21 N -0.18 0.00 -0.44 0.00 3.86 -2.02 -0.63 115.15 115.73 1lky h HIS 21 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1lky h HIS 21 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1lky h HIS 21 CO -0.42 0.00 0.00 1.28 0.86 0.00 0.00 177.93 179.65 1lky n LEU 22 N -2.95 4.64 0.26 2.43 4.77 -0.68 -4.50 117.00 120.97 1lky n LEU 22 Ca -0.02 -2.84 0.15 0.00 -0.03 0.00 0.00 56.01 53.27 1lky n LEU 22 Cb 0.23 -0.58 0.55 0.00 -2.33 0.00 0.00 43.42 41.29 1lky n LEU 22 CO 0.16 0.68 0.93 0.03 -1.33 0.00 0.00 177.39 177.86 1lky h ARG 23 N 2.95 0.00 -7.22 3.23 -0.00 -1.08 -3.45 114.38 108.81 1lky h ARG 23 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.98 59.03 1lky h ARG 23 Cb 1.60 0.00 0.07 0.00 0.00 0.00 0.00 29.97 31.64 1lky h ARG 23 CO 0.31 0.03 0.18 -0.48 0.00 0.00 0.00 179.97 180.01 1lky s LEU 24 N -6.26 2.90 0.26 3.04 0.05 -1.26 -5.03 118.68 112.38 1lky s LEU 24 Ca 0.02 0.36 -0.30 0.00 0.05 0.00 0.00 54.13 54.26 1lky s LEU 24 Cb 0.08 -3.04 -0.10 0.00 -2.05 0.00 0.00 46.19 41.08 1lky s LEU 24 CO 0.58 -1.53 1.47 -1.10 -0.55 0.00 0.00 176.35 175.23 1lky s GLN 25 N -5.16 4.23 0.48 1.48 -0.21 -1.26 -4.87 119.66 114.36 1lky s GLN 25 Ca 0.60 2.37 0.34 0.00 0.02 0.00 0.00 55.36 58.69 1lky s GLN 25 Cb -0.11 -3.09 1.47 0.00 1.00 0.00 0.00 33.01 32.29 1lky s GLN 25 CO 0.44 -0.47 1.68 -1.35 -2.12 0.00 0.00 175.29 173.47 1lky h PRO 26 N 4.96 0.09 -0.15 2.91 0.11 -1.94 0.31 132.00 138.29 1lky h PRO 26 Ca -0.46 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1lky h PRO 26 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1lky h PRO 26 CO 0.78 0.06 0.19 0.97 -0.21 0.00 0.00 178.00 179.79 1lky h ILE 27 N 0.10 0.40 -0.01 4.15 6.09 -1.89 0.15 117.51 126.49 1lky h ILE 27 Ca 0.75 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.24 1lky h ILE 27 Cb 2.59 0.84 0.00 0.00 0.47 0.00 0.00 36.82 40.72 1lky h ILE 27 CO -0.21 0.00 -0.54 -1.22 -3.07 0.00 0.00 178.15 173.11 1lky n TYR 28 N -3.67 0.00 -1.71 2.19 4.02 0.11 -3.87 117.16 114.22 1lky n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1lky n TYR 28 Cb 0.30 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 39.57 1lky n TYR 28 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1lky n TRP 29 N -0.56 2.43 -3.00 -0.72 7.02 0.52 -4.87 117.44 118.26 1lky n TRP 29 Ca 0.08 0.47 -0.22 0.00 -1.02 0.00 0.00 57.50 56.81 1lky n TRP 29 Cb 0.41 -2.47 0.01 0.00 -2.42 0.00 0.00 31.31 26.84 1lky n TRP 29 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1lky s SER 30 N -0.03 5.76 0.29 -0.99 1.04 -1.26 -0.81 113.70 117.71 1lky s SER 30 Ca 0.59 0.16 0.05 0.00 0.48 0.00 0.00 55.95 57.23 1lky s SER 30 Cb -0.56 -1.37 0.71 0.00 0.10 0.00 0.00 66.02 64.90 1lky s SER 30 CO 0.58 -0.73 1.76 -0.09 0.98 0.00 0.00 173.24 175.73 1lky h ARG 31 N 0.42 0.66 -0.25 4.02 2.43 -1.92 0.35 114.38 120.09 1lky h ARG 31 Ca -0.45 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.59 1lky h ARG 31 Cb 1.26 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1lky h ARG 31 CO 0.56 0.43 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.77 1lky h ASP 32 N 0.68 0.47 -0.14 -3.80 3.32 -1.94 -2.66 116.42 112.35 1lky h ASP 32 Ca 0.56 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1lky h ASP 32 Cb 0.90 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1lky h ASP 32 CO -0.40 0.71 0.07 0.44 -1.72 0.00 0.00 179.24 178.34 1lky h ASP 33 N 0.42 0.18 -0.02 6.45 3.32 -0.70 -0.85 116.42 125.22 1lky h ASP 33 Ca 0.06 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1lky h ASP 33 Cb 0.64 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1lky h ASP 33 CO 0.05 0.23 -0.53 0.58 -1.72 0.00 0.00 179.24 177.85 1lky h VAL 34 N 0.12 0.02 -0.80 -1.35 2.07 -1.17 0.42 116.25 115.56 1lky h VAL 34 Ca 0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.73 1lky h VAL 34 Cb 0.09 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 29.78 1lky h VAL 34 CO -0.01 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.91 1lky h ALA 35 N -0.35 1.16 -0.20 1.67 0.00 -1.27 0.28 119.26 120.54 1lky h ALA 35 Ca 0.02 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1lky h ALA 35 Cb 0.71 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1lky h ALA 35 CO -0.37 -0.23 -0.27 0.37 0.00 0.00 0.00 179.25 178.76 1lky h GLN 36 N 0.45 0.39 -0.34 0.00 4.15 -0.09 -2.76 115.11 116.90 1lky h GLN 36 Ca 0.45 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1lky h GLN 36 Cb 0.72 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1lky h GLN 36 CO -0.43 0.63 0.17 2.35 -1.93 0.00 0.00 178.83 179.61 1lky h TRP 37 N 0.34 0.49 -0.72 3.99 7.01 0.33 -0.31 115.95 127.08 1lky h TRP 37 Ca 0.05 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.07 1lky h TRP 37 Cb 0.65 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.51 1lky h TRP 37 CO 0.02 0.41 0.44 -0.07 -2.79 0.00 0.00 178.44 176.45 1lky h LEU 38 N 0.42 0.72 -0.25 0.65 3.38 -0.97 0.15 115.31 119.41 1lky h LEU 38 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1lky h LEU 38 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1lky h LEU 38 CO -0.02 0.49 -0.05 0.11 0.09 0.00 0.00 178.44 179.07 1lky h LYS 39 N 0.86 0.47 -0.50 1.13 1.57 -1.21 -1.42 116.57 117.46 1lky h LYS 39 Ca 0.29 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1lky h LYS 39 Cb 0.05 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1lky h LYS 39 CO -0.12 0.68 0.23 2.35 -0.57 0.00 0.00 179.45 182.03 1lky h TRP 40 N 0.22 0.42 -0.78 -1.35 7.01 -0.64 -1.83 115.95 119.01 1lky h TRP 40 Ca 0.07 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1lky h TRP 40 Cb 0.50 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 1lky h TRP 40 CO 0.05 0.19 0.39 0.00 -2.79 0.00 0.00 178.44 176.28 1lky h ALA 41 N 1.29 1.22 0.00 2.65 0.00 -0.60 -1.40 119.26 122.42 1lky h ALA 41 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1lky h ALA 41 Cb 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1lky h ALA 41 CO -0.18 0.61 -0.16 1.05 0.00 0.00 0.00 179.25 180.56 1lky h GLU 42 N 1.10 0.00 0.17 0.00 4.11 -0.48 -1.47 114.58 118.02 1lky h GLU 42 Ca 0.27 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.38 1lky h GLU 42 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1lky h GLU 42 CO -0.04 0.16 -1.60 -0.91 0.07 0.00 0.00 179.01 176.70 1lky h ASN 43 N 0.00 0.57 -0.54 3.06 2.35 -1.06 -0.21 115.58 119.75 1lky h ASN 43 Ca -0.00 -0.92 -0.08 0.00 -0.55 0.00 0.00 56.30 54.75 1lky h ASN 43 Cb 0.81 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1lky h ASN 43 CO 0.02 1.72 0.05 -0.08 -1.65 0.00 0.00 177.43 177.49 1lky h GLU 44 N -0.03 0.96 -0.12 0.81 4.57 -1.21 -3.16 114.58 116.40 1lky h GLU 44 Ca -0.32 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 57.54 1lky h GLU 44 Cb 1.99 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 30.43 1lky h GLU 44 CO 0.15 0.91 -0.38 1.19 -1.18 0.00 0.00 179.01 179.71 1lky n PHE 45 N -4.21 0.39 -3.75 0.92 3.01 -0.56 -4.96 117.46 108.30 1lky n PHE 45 Ca 0.03 -1.55 -0.30 0.00 1.01 0.00 0.00 57.45 56.64 1lky n PHE 45 Cb 0.30 -0.33 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 1lky n PHE 45 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1lky n SER 46 N -1.12 -1.41 -4.77 4.37 2.88 -0.94 -4.83 113.62 107.81 1lky n SER 46 Ca 0.24 -0.82 -0.36 0.00 -1.33 0.00 0.00 58.87 56.60 1lky n SER 46 Cb 0.80 -1.25 0.01 0.00 -0.75 0.00 0.00 64.21 63.03 1lky n SER 46 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1lky s LEU 47 N -5.86 3.77 0.16 2.46 1.43 -0.13 -4.94 118.68 115.57 1lky s LEU 47 Ca 0.59 2.30 -0.32 0.00 -1.03 0.00 0.00 54.13 55.68 1lky s LEU 47 Cb -0.35 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.26 1lky s LEU 47 CO 0.73 -1.31 1.57 -0.60 0.23 0.00 0.00 176.35 176.97 1lky s ARG 48 N -3.17 4.22 -0.38 1.70 3.00 -1.26 -4.76 118.95 118.28 1lky s ARG 48 Ca 0.73 2.35 -0.42 0.00 -1.00 0.00 0.00 55.73 57.39 1lky s ARG 48 Cb -0.28 -3.18 -0.17 0.00 0.00 0.00 0.00 34.95 31.32 1lky s ARG 48 CO 0.31 -0.61 1.78 -2.30 0.00 0.00 0.00 175.30 174.49 1lky n PRO 49 N 4.07 0.65 -3.96 5.12 -0.02 -1.26 -4.93 135.00 134.67 1lky n PRO 49 Ca 0.14 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.55 1lky n PRO 49 Cb 0.39 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1lky n PRO 49 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1lky s ILE 50 N 3.98 5.14 -0.36 4.25 -5.25 -1.26 -5.06 121.20 122.64 1lky s ILE 50 Ca 1.04 -0.57 -0.27 0.00 -0.99 0.00 0.00 60.65 59.86 1lky s ILE 50 Cb -1.24 -3.53 0.02 0.00 2.95 0.00 0.00 42.46 40.66 1lky s ILE 50 CO 0.70 0.08 0.99 -0.62 -1.79 0.00 0.00 174.94 174.29 1lky s ASP 51 N -2.65 6.75 0.54 4.36 -1.08 -1.26 -4.91 116.67 118.43 1lky s ASP 51 Ca 0.33 0.72 0.35 0.00 -0.52 0.00 0.00 52.55 53.43 1lky s ASP 51 Cb -0.12 -2.49 1.53 0.00 -1.46 0.00 0.00 42.92 40.37 1lky s ASP 51 CO 0.26 -0.89 1.84 0.28 0.52 0.00 0.00 175.17 177.18 1lky h SER 52 N 8.41 0.00 0.00 -0.34 0.02 -1.97 0.25 113.55 119.92 1lky h SER 52 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1lky h SER 52 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1lky h SER 52 CO 1.01 0.00 0.05 -3.20 -1.14 0.00 0.00 176.83 173.54 1lky n ASN 53 N -4.21 0.00 0.08 3.07 2.85 -1.26 -1.08 115.26 114.70 1lky n ASN 53 Ca 0.23 0.32 -0.02 0.00 -0.11 0.00 0.00 54.58 55.00 1lky n ASN 53 Cb 1.13 -0.32 -0.06 0.00 1.24 0.00 0.00 39.78 41.77 1lky n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1lky h THR 54 N 0.00 1.12 -2.20 -0.44 1.35 -0.88 -3.38 112.91 108.47 1lky h THR 54 Ca 0.00 -2.67 -0.59 0.00 -0.55 0.00 0.00 66.41 62.60 1lky h THR 54 Cb 0.09 2.52 -0.42 0.00 -1.73 0.00 0.00 68.15 68.61 1lky h THR 54 CO 0.00 0.64 -0.66 0.49 -0.25 0.00 0.00 175.52 175.74 1lky n PHE 55 N -3.21 3.40 -2.74 4.73 3.01 -0.24 -4.97 117.46 117.44 1lky n PHE 55 Ca -0.02 -4.06 -0.43 0.00 1.01 0.00 0.00 57.45 53.95 1lky n PHE 55 Cb 0.85 -0.52 -0.01 0.00 -0.01 0.00 0.00 39.48 39.79 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 -2.70 3.83 0.05 -1.08 0.41 -1.26 -4.80 118.70 113.14 1lky s GLU 56 Ca 0.42 -1.86 -0.28 0.00 -0.41 0.00 0.00 54.97 52.84 1lky s GLU 56 Cb 0.20 -5.24 0.10 0.00 -1.78 0.00 0.00 34.13 27.40 1lky s GLU 56 CO -0.06 -2.02 1.10 0.00 -0.49 0.00 0.00 175.26 173.79 1lky s MET 57 N 3.45 0.78 0.31 1.61 0.23 -1.26 -5.14 119.30 119.28 1lky s MET 57 Ca 0.45 -0.41 0.03 0.00 -1.03 0.00 0.00 55.69 54.73 1lky s MET 57 Cb -0.01 0.28 0.06 0.00 -1.53 0.00 0.00 34.83 33.63 1lky s MET 57 CO -0.02 -0.36 0.43 0.27 -2.03 0.00 0.00 175.02 173.31 1lky n ASN 58 N -0.43 0.91 -0.07 -1.18 0.23 -1.26 -4.23 115.26 109.23 1lky n ASN 58 Ca -0.07 -1.69 -0.08 0.00 -0.53 0.00 0.00 54.58 52.21 1lky n ASN 58 Cb 0.61 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.35 0.18 4.83 0.00 -1.13 -1.28 103.07 105.96 1lky h GLY 59 Ca -0.14 -0.07 0.20 0.00 0.00 0.00 0.00 47.33 47.32 1lky h GLY 59 CO 0.19 0.04 0.62 0.50 0.00 0.00 0.00 176.54 177.88 1lky h LYS 60 N 0.24 0.56 -0.11 4.80 1.57 -1.73 0.36 116.57 122.26 1lky h LYS 60 Ca 0.12 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 1lky h LYS 60 Cb 0.08 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.27 1lky h LYS 60 CO -0.12 0.37 -0.58 0.00 -0.57 0.00 0.00 179.45 178.55 1lky h ALA 61 N 1.62 0.22 -0.58 3.86 0.00 -1.79 -3.21 119.26 119.38 1lky h ALA 61 Ca 0.53 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1lky h ALA 61 Cb 1.08 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1lky h ALA 61 CO -0.28 0.46 0.24 1.25 0.00 0.00 0.00 179.25 180.92 1lky h LEU 62 N 0.21 0.28 -0.52 0.00 5.85 0.14 -0.68 115.31 120.59 1lky h LEU 62 Ca -0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1lky h LEU 62 Cb 1.22 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1lky h LEU 62 CO 0.12 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.58 1lky n LEU 63 N -4.96 0.33 0.00 2.25 4.77 -0.18 -1.61 117.00 117.60 1lky n LEU 63 Ca 0.07 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1lky n LEU 63 Cb 0.23 -0.60 0.18 0.00 -2.33 0.00 0.00 43.42 40.91 1lky n LEU 63 CO 0.24 -0.55 0.36 0.18 -1.33 0.00 0.00 177.39 176.29 1lky n LEU 64 N -1.89 0.59 -4.81 2.23 4.32 -0.27 -4.93 117.00 112.24 1lky n LEU 64 Ca 0.01 -0.09 -0.34 0.00 -0.02 0.00 0.00 56.01 55.57 1lky n LEU 64 Cb 0.13 -0.20 -0.07 0.00 -1.62 0.00 0.00 43.42 41.65 1lky n LEU 64 CO 0.12 0.15 0.65 -0.76 -1.22 0.00 0.00 177.39 176.33 1lky s LEU 65 N -3.01 4.08 0.43 2.23 1.43 -0.63 -5.08 118.68 118.13 1lky s LEU 65 Ca 0.10 1.74 0.08 0.00 -1.03 0.00 0.00 54.13 55.03 1lky s LEU 65 Cb 0.17 -4.35 0.01 0.00 0.03 0.00 0.00 46.19 42.05 1lky s LEU 65 CO 0.73 -0.26 0.56 0.42 0.23 0.00 0.00 176.35 178.03 1lky s THR 66 N -1.98 2.90 0.33 5.49 -4.23 -1.26 -4.93 115.64 111.96 1lky s THR 66 Ca 0.58 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1lky s THR 66 Cb -0.12 -2.94 0.29 0.00 1.34 0.00 0.00 72.50 71.07 1lky s THR 66 CO 0.17 0.00 1.92 0.50 -0.54 0.00 0.00 174.62 176.67 1lky h LYS 67 N 0.66 0.84 -0.41 3.99 3.64 -1.97 -0.20 116.57 123.11 1lky h LYS 67 Ca -0.39 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.83 1lky h LYS 67 Cb 1.28 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1lky h LYS 67 CO 0.46 0.56 -0.17 1.49 -2.27 0.00 0.00 179.45 179.52 1lky h GLU 68 N 0.87 0.78 -0.04 1.90 4.22 -1.97 0.65 114.58 120.98 1lky h GLU 68 Ca 0.38 -0.29 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 1lky h GLU 68 Cb 0.33 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1lky h GLU 68 CO -0.15 0.89 0.02 -0.44 -2.18 0.00 0.00 179.01 177.16 1lky h ASP 69 N 0.69 0.06 0.01 1.04 3.32 -1.47 0.53 116.42 120.59 1lky h ASP 69 Ca 0.11 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1lky h ASP 69 Cb 0.66 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1lky h ASP 69 CO 0.05 0.20 -0.12 -0.26 -1.72 0.00 0.00 179.24 177.39 1lky h PHE 70 N -0.09 -0.29 -0.44 4.55 -1.00 -1.01 -1.78 116.94 116.89 1lky h PHE 70 Ca 0.01 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.85 1lky h PHE 70 Cb 0.16 0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1lky h PHE 70 CO -0.02 -0.17 0.29 -0.09 -1.61 0.00 0.00 178.31 176.71 1lky h ARG 71 N -0.20 0.40 -0.70 1.51 2.43 -0.67 -0.22 114.38 116.93 1lky h ARG 71 Ca 0.04 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1lky h ARG 71 Cb 0.25 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1lky h ARG 71 CO -0.11 0.26 0.17 -0.92 -1.51 0.00 0.00 179.97 177.86 1lky h TYR 72 N 0.41 1.18 0.00 2.20 3.20 0.89 -1.64 116.97 123.21 1lky h TYR 72 Ca 0.18 -0.14 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 1lky h TYR 72 Cb 0.22 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1lky h TYR 72 CO -0.00 0.96 -0.82 0.00 -1.64 0.00 0.00 178.16 176.66 1lky h ARG 73 N 1.06 0.00 -2.39 1.82 3.08 -0.62 -3.40 114.38 113.93 1lky h ARG 73 Ca 0.22 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.73 1lky h ARG 73 Cb 0.38 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.06 1lky h ARG 73 CO 0.00 0.82 -0.84 0.45 -1.07 0.00 0.00 179.97 179.34 1lky s SER 74 N -6.70 2.24 0.32 7.04 0.15 -0.20 -4.99 113.70 111.56 1lky s SER 74 Ca 0.01 -2.24 0.04 0.00 0.70 0.00 0.00 55.95 54.46 1lky s SER 74 Cb 0.10 -0.18 0.66 0.00 -1.71 0.00 0.00 66.02 64.90 1lky s SER 74 CO 0.79 -0.27 1.86 -0.65 1.20 0.00 0.00 173.24 176.18 1lky h PRO 75 N 6.71 0.84 -0.08 5.44 0.11 -1.54 1.14 132.00 144.64 1lky h PRO 75 Ca 0.10 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.96 1lky h PRO 75 Cb 0.98 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1lky h PRO 75 CO 0.26 0.56 -0.78 1.12 -0.21 0.00 0.00 178.00 178.95 1lky h HIS 76 N 0.87 0.66 0.00 0.65 2.07 -1.94 -3.39 115.15 114.07 1lky h HIS 76 Ca 0.46 -0.30 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 1lky h HIS 76 Cb 0.53 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1lky h HIS 76 CO -0.00 1.08 0.00 0.43 -3.07 0.00 0.00 177.93 176.37 1lky n SER 77 N -3.84 0.72 -0.06 3.10 7.64 -1.07 -4.88 113.62 115.23 1lky n SER 77 Ca -0.05 -1.09 -0.12 0.00 1.01 0.00 0.00 58.87 58.61 1lky n SER 77 Cb 0.74 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.77 0.31 0.23 0.00 0.12 -1.54 103.07 101.41 1lky h GLY 78 Ca 0.00 0.59 0.11 0.00 0.00 0.00 0.00 47.33 48.03 1lky h GLY 78 CO 0.00 -0.19 0.22 -0.55 0.00 0.00 0.00 176.54 176.02 1lky h ASP 79 N -0.44 0.20 -0.29 0.19 3.45 -1.83 -1.80 116.42 115.89 1lky h ASP 79 Ca 0.09 0.09 -0.09 0.00 0.43 0.00 0.00 57.03 57.55 1lky h ASP 79 Cb 0.62 0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.45 1lky h ASP 79 CO -0.50 0.11 -0.10 0.03 -1.57 0.00 0.00 179.24 177.21 1lky h ARG 80 N 0.39 0.70 -0.32 3.56 3.08 -1.84 -1.88 114.38 118.08 1lky h ARG 80 Ca 0.33 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1lky h ARG 80 Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1lky h ARG 80 CO -0.34 0.79 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.26 1lky h LEU 81 N 0.64 0.58 0.13 3.04 3.38 -0.73 0.05 115.31 122.40 1lky h LEU 81 Ca 0.11 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1lky h LEU 81 Cb 0.55 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1lky h LEU 81 CO 0.03 0.76 -0.09 0.22 0.09 0.00 0.00 178.44 179.45 1lky h TYR 82 N 0.37 -0.24 -0.47 1.13 3.20 -1.19 -0.73 116.97 119.05 1lky h TYR 82 Ca 0.09 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1lky h TYR 82 Cb 0.48 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1lky h TYR 82 CO 0.04 -0.15 0.28 0.93 -1.64 0.00 0.00 178.16 177.62 1lky h GLU 83 N -0.23 0.54 -0.94 1.82 4.39 -1.30 -1.02 114.58 117.84 1lky h GLU 83 Ca -0.01 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1lky h GLU 83 Cb 0.20 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 1lky h GLU 83 CO -0.00 0.36 0.59 1.25 -1.16 0.00 0.00 179.01 180.05 1lky h LEU 84 N 0.56 0.91 -0.45 1.33 5.85 -0.67 -1.16 115.31 121.68 1lky h LEU 84 Ca 0.19 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 1lky h LEU 84 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1lky h LEU 84 CO -0.08 0.55 -0.33 0.25 -0.34 0.00 0.00 178.44 178.49 1lky h LEU 85 N 1.03 0.99 -0.90 2.25 5.85 -0.54 -1.73 115.31 122.26 1lky h LEU 85 Ca 0.43 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1lky h LEU 85 Cb 0.27 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1lky h LEU 85 CO -0.20 1.22 0.57 1.56 -0.34 0.00 0.00 178.44 181.25 1lky h GLN 86 N 0.78 1.06 -0.17 1.25 1.08 -0.22 0.34 115.11 119.23 1lky h GLN 86 Ca 0.08 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1lky h GLN 86 Cb 0.91 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1lky h GLN 86 CO 0.08 0.70 0.03 0.45 -0.95 0.00 0.00 178.83 179.15 1lky h HIS 87 N 1.09 0.30 -0.89 2.96 3.86 -1.07 0.28 115.15 121.69 1lky h HIS 87 Ca 0.37 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 1lky h HIS 87 Cb 0.07 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 1lky h HIS 87 CO -0.02 0.43 0.52 0.82 0.86 0.00 0.00 177.93 180.54 1lky h ILE 88 N 0.08 1.25 -0.69 2.45 2.04 -0.85 -1.13 117.51 120.66 1lky h ILE 88 Ca 0.05 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1lky h ILE 88 Cb 0.29 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1lky h ILE 88 CO 0.00 0.27 0.17 0.25 0.00 0.00 0.00 178.15 178.84 1lky h LEU 89 N 1.23 1.05 -0.63 1.44 5.85 0.04 -2.84 115.31 121.45 1lky h LEU 89 Ca 0.32 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1lky h LEU 89 Cb -0.03 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 1lky h LEU 89 CO -0.06 1.01 -0.15 0.11 -0.34 0.00 0.00 178.44 179.01 1lky h LYS 90 N 1.05 0.00 0.00 1.25 6.56 0.26 -3.51 116.57 122.18 1lky h LYS 90 Ca 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1lky h LYS 90 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1lky h LYS 90 CO 0.00 0.15 0.00 1.04 -2.06 0.00 0.00 179.45 178.58