#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 0.28 -2.84 2.46 3.06 -1.26 -5.13 119.36 115.93 1lky n ILE 16 Ca 0.00 0.09 -0.01 0.00 -2.50 0.00 0.00 62.75 60.33 1lky n ILE 16 Cb 0.00 -0.98 -0.01 0.00 0.54 0.00 0.00 39.64 39.18 1lky n ILE 16 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1lky n ARG 17 N -3.10 -2.03 -3.93 9.51 0.00 -1.26 -4.98 116.66 110.87 1lky n ARG 17 Ca 0.00 1.69 -0.30 0.00 -0.00 0.00 0.00 57.85 59.24 1lky n ARG 17 Cb 0.12 -1.85 -0.04 0.00 0.00 0.00 0.00 32.46 30.69 1lky n ARG 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1lky s LEU 18 N -0.16 4.33 0.89 6.15 1.02 -1.26 -5.07 118.68 124.57 1lky s LEU 18 Ca -0.06 0.23 -0.13 0.00 0.02 0.00 0.00 54.13 54.19 1lky s LEU 18 Cb 0.00 -2.92 0.03 0.00 0.02 0.00 0.00 46.19 43.32 1lky s LEU 18 CO 0.17 0.14 0.55 -2.65 0.02 0.00 0.00 176.35 174.59 1lky n PRO 19 N 0.11 -0.14 0.08 1.29 -0.02 -1.26 -4.79 135.00 130.26 1lky n PRO 19 Ca -0.06 0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.28 1lky n PRO 19 Cb 0.52 -1.94 -0.09 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.28 -0.86 -0.98 3.55 0.00 -2.02 -2.65 119.26 115.02 1lky h ALA 20 Ca -0.44 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.56 1lky h ALA 20 Cb 1.30 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.85 1lky h ALA 20 CO 0.37 -1.06 0.61 0.45 0.00 0.00 0.00 179.25 179.63 1lky h HIS 21 N -0.67 0.99 -0.22 0.00 3.86 -2.03 -1.57 115.15 115.51 1lky h HIS 21 Ca 0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1lky h HIS 21 Cb 0.71 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1lky h HIS 21 CO -0.46 0.28 0.00 1.28 0.86 0.00 0.00 177.93 179.89 1lky n LEU 22 N -4.67 2.57 0.25 2.43 4.77 -1.01 -4.07 117.00 117.27 1lky n LEU 22 Ca 0.21 -1.30 0.16 0.00 -0.03 0.00 0.00 56.01 55.05 1lky n LEU 22 Cb 0.53 -0.51 0.59 0.00 -2.33 0.00 0.00 43.42 41.70 1lky n LEU 22 CO 0.25 0.39 0.95 0.08 -1.33 0.00 0.00 177.39 177.73 1lky h ARG 23 N 1.51 0.00 -7.19 3.23 0.11 -1.20 -3.45 114.38 107.39 1lky h ARG 23 Ca 0.00 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.60 1lky h ARG 23 Cb 0.95 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.07 1lky h ARG 23 CO 0.16 0.00 0.38 -1.17 0.10 0.00 0.00 179.97 179.43 1lky s LEU 24 N -5.99 3.58 0.28 0.08 2.96 -1.26 -4.98 118.68 113.35 1lky s LEU 24 Ca 0.02 1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 55.31 1lky s LEU 24 Cb 0.08 -4.52 -0.13 0.00 0.50 0.00 0.00 46.19 42.13 1lky s LEU 24 CO 0.55 -0.82 1.37 0.00 -1.32 0.00 0.00 176.35 176.13 1lky n GLN 25 N -1.74 2.11 -0.27 1.98 6.02 -1.26 -4.83 117.38 119.38 1lky n GLN 25 Ca 0.07 0.75 0.33 0.00 -0.01 0.00 0.00 57.00 58.14 1lky n GLN 25 Cb 0.53 -2.38 0.69 0.00 1.02 0.00 0.00 30.24 30.10 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 3.60 0.00 -0.07 -1.09 0.11 -1.93 -1.74 132.00 130.88 1lky h PRO 26 Ca -0.45 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1lky h PRO 26 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1lky h PRO 26 CO 0.71 0.00 0.05 0.97 -0.21 0.00 0.00 178.00 179.52 1lky h ILE 27 N 0.00 0.91 -0.72 4.15 6.09 -1.88 -2.21 117.51 123.85 1lky h ILE 27 Ca 0.53 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.02 1lky h ILE 27 Cb 2.40 0.96 0.00 0.00 0.47 0.00 0.00 36.82 40.66 1lky h ILE 27 CO -0.01 0.00 0.00 -1.22 -3.07 0.00 0.00 178.15 173.85 1lky n TYR 28 N -4.43 0.98 -2.29 2.19 4.02 -0.65 -3.93 117.16 113.04 1lky n TYR 28 Ca -0.01 -0.49 -0.41 0.00 -0.01 0.00 0.00 57.90 56.98 1lky n TYR 28 Cb 0.16 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.06 3.32 0.65 -0.72 0.52 -0.83 -4.92 118.94 115.91 1lky s TRP 29 Ca 0.48 1.41 -0.04 0.00 0.02 0.00 0.00 56.10 57.97 1lky s TRP 29 Cb 0.25 -3.51 0.05 0.00 -1.15 0.00 0.00 33.47 29.11 1lky s TRP 29 CO 0.33 -1.44 0.93 -1.54 0.02 0.00 0.00 176.95 175.25 1lky s SER 30 N -0.11 4.99 0.22 2.95 1.04 -1.26 -0.36 113.70 121.17 1lky s SER 30 Ca 0.52 0.29 -0.08 0.00 0.48 0.00 0.00 55.95 57.15 1lky s SER 30 Cb -0.35 -1.02 0.34 0.00 0.10 0.00 0.00 66.02 65.08 1lky s SER 30 CO 0.41 -1.43 1.71 0.03 0.98 0.00 0.00 173.24 174.94 1lky h ARG 31 N -0.35 0.28 -0.22 4.02 3.08 -1.89 -0.77 114.38 118.53 1lky h ARG 31 Ca -0.44 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.49 1lky h ARG 31 Cb 1.31 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1lky h ARG 31 CO 0.57 0.19 -0.34 0.38 -1.07 0.00 0.00 179.97 179.70 1lky h ASP 32 N 0.29 0.47 -0.33 7.04 3.04 -1.93 -2.92 116.42 122.08 1lky h ASP 32 Ca 0.34 -0.19 0.02 0.00 -3.24 0.00 0.00 57.03 53.97 1lky h ASP 32 Cb 0.51 -0.13 -0.03 0.00 -1.04 0.00 0.00 39.33 38.65 1lky h ASP 32 CO -0.41 0.78 0.16 0.44 -2.04 0.00 0.00 179.24 178.17 1lky h ASP 33 N 0.39 0.23 -0.40 4.15 3.32 -1.54 -0.68 116.42 121.90 1lky h ASP 33 Ca 0.04 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.20 1lky h ASP 33 Cb 0.79 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1lky h ASP 33 CO 0.06 0.18 0.28 0.58 -1.72 0.00 0.00 179.24 178.62 1lky h VAL 34 N 0.33 0.88 -0.06 -1.35 2.07 -1.12 0.11 116.25 117.11 1lky h VAL 34 Ca 0.14 -0.06 -0.24 0.00 0.82 0.00 0.00 66.70 67.36 1lky h VAL 34 Cb 0.05 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1lky h VAL 34 CO -0.10 0.03 -0.91 0.00 0.02 0.00 0.00 177.57 176.61 1lky h ALA 35 N 1.79 0.28 -0.16 1.67 0.00 -1.02 -2.13 119.26 119.69 1lky h ALA 35 Ca 0.19 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1lky h ALA 35 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1lky h ALA 35 CO -0.03 0.72 -0.30 1.96 0.00 0.00 0.00 179.25 181.60 1lky h GLN 36 N 0.40 0.30 -0.27 0.00 4.20 0.21 -0.54 115.11 119.41 1lky h GLN 36 Ca -0.09 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 1lky h GLN 36 Cb 1.54 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 1lky h GLN 36 CO 0.18 0.58 -0.32 2.35 -0.67 0.00 0.00 178.83 180.94 1lky h TRP 37 N 0.27 0.67 -0.18 2.96 7.01 -0.76 0.10 115.95 126.02 1lky h TRP 37 Ca 0.04 -0.17 -0.13 0.00 2.11 0.00 0.00 58.89 60.74 1lky h TRP 37 Cb 0.67 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1lky h TRP 37 CO 0.01 0.84 -0.38 -0.07 -2.79 0.00 0.00 178.44 176.05 1lky h LEU 38 N 0.50 0.65 -0.45 0.65 3.38 -0.91 -1.16 115.31 117.97 1lky h LEU 38 Ca 0.06 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1lky h LEU 38 Cb 0.80 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1lky h LEU 38 CO 0.07 1.09 0.24 0.50 0.09 0.00 0.00 178.44 180.43 1lky h LYS 39 N 0.24 0.62 0.94 1.13 3.64 -0.94 -1.47 116.57 120.74 1lky h LYS 39 Ca 0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1lky h LYS 39 Cb 0.98 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1lky h LYS 39 CO 0.08 0.50 -0.47 2.35 -2.27 0.00 0.00 179.45 179.64 1lky h TRP 40 N 0.59 -1.23 -1.00 1.91 7.01 -0.80 -2.93 115.95 119.51 1lky h TRP 40 Ca 0.16 -0.03 0.29 0.00 2.11 0.00 0.00 58.89 61.42 1lky h TRP 40 Cb 0.05 0.41 -0.14 0.00 -2.10 0.00 0.00 29.16 27.39 1lky h TRP 40 CO -0.02 -0.75 0.56 0.00 -2.79 0.00 0.00 178.44 175.44 1lky h ALA 41 N -1.24 1.87 -0.20 2.65 0.00 -1.05 -0.12 119.26 121.16 1lky h ALA 41 Ca -0.13 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1lky h ALA 41 Cb 1.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1lky h ALA 41 CO 0.20 -0.46 0.11 0.93 0.00 0.00 0.00 179.25 180.03 1lky h GLU 42 N 0.41 0.23 0.06 0.00 5.08 -1.09 -1.82 114.58 117.45 1lky h GLU 42 Ca 0.70 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1lky h GLU 42 Cb 1.49 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1lky h GLU 42 CO -0.56 0.15 -0.03 -0.91 -1.00 0.00 0.00 179.01 176.66 1lky h ASN 43 N 0.24 -0.07 -0.41 1.42 -0.26 -0.96 0.53 115.58 116.07 1lky h ASN 43 Ca 0.08 -0.40 0.07 0.00 -0.56 0.00 0.00 56.30 55.49 1lky h ASN 43 Cb 0.00 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.22 1lky h ASN 43 CO -0.04 0.38 0.03 -0.08 -1.06 0.00 0.00 177.43 176.66 1lky h GLU 44 N -0.53 0.14 -0.56 0.81 4.57 -1.18 -2.86 114.58 114.96 1lky h GLU 44 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1lky h GLU 44 Cb 0.47 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1lky h GLU 44 CO 0.01 0.09 0.00 1.19 -1.18 0.00 0.00 179.01 179.13 1lky n PHE 45 N -5.16 0.92 -3.66 0.92 3.01 -0.69 -4.98 117.46 107.83 1lky n PHE 45 Ca 0.03 -0.55 -0.23 0.00 1.01 0.00 0.00 57.45 57.71 1lky n PHE 45 Cb 0.21 -0.08 0.04 0.00 -0.01 0.00 0.00 39.48 39.63 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 1.04 -2.56 -4.92 4.37 7.64 -0.42 -4.98 113.62 113.79 1lky n SER 46 Ca 0.20 -0.86 -0.26 0.00 1.01 0.00 0.00 58.87 58.97 1lky n SER 46 Cb 0.64 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 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 3.62 0.05 -3.43 1.43 0.05 -5.03 118.68 108.87 1lky s LEU 47 Ca 0.15 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 1lky s LEU 47 Cb -0.04 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1lky s LEU 47 CO 0.82 -0.63 1.14 -0.60 0.23 0.00 0.00 176.35 177.31 1lky s ARG 48 N -4.70 4.47 0.12 1.70 3.52 -1.26 -4.85 118.95 117.95 1lky s ARG 48 Ca 0.47 1.68 -0.35 0.00 -0.13 0.00 0.00 55.73 57.40 1lky s ARG 48 Cb -0.10 -3.38 -0.16 0.00 -1.56 0.00 0.00 34.95 29.76 1lky s ARG 48 CO 0.43 -0.20 1.41 -2.30 -0.81 0.00 0.00 175.30 173.84 1lky n PRO 49 N 3.90 1.53 -4.24 5.12 -0.02 -1.26 -4.90 135.00 135.12 1lky n PRO 49 Ca 0.08 0.55 -0.26 0.00 -2.02 0.00 0.00 63.50 61.85 1lky n PRO 49 Cb 0.48 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.57 3.57 -0.24 4.25 -4.36 -1.26 -5.07 121.20 118.66 1lky s ILE 50 Ca 0.81 -1.59 -0.29 0.00 -0.26 0.00 0.00 60.65 59.32 1lky s ILE 50 Cb -0.84 -2.82 -0.00 0.00 1.25 0.00 0.00 42.46 40.04 1lky s ILE 50 CO 0.44 -0.18 1.25 -0.62 0.24 0.00 0.00 174.94 176.07 1lky s ASP 51 N -3.12 6.84 0.59 4.36 -1.08 -1.26 -4.86 116.67 118.13 1lky s ASP 51 Ca 0.28 1.43 0.40 0.00 -0.52 0.00 0.00 52.55 54.13 1lky s ASP 51 Cb -0.08 -2.54 2.10 0.00 -1.46 0.00 0.00 42.92 40.93 1lky s ASP 51 CO 0.18 -0.90 2.21 0.28 0.52 0.00 0.00 175.17 177.46 1lky h SER 52 N 8.62 0.00 0.08 -0.34 0.02 -1.98 -0.87 113.55 119.08 1lky h SER 52 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1lky h SER 52 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1lky h SER 52 CO 1.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 177.28 1lky n ASN 53 N -2.93 0.00 0.02 3.07 5.03 -1.26 -0.88 115.26 118.30 1lky n ASN 53 Ca -0.02 0.12 0.11 0.00 0.87 0.00 0.00 54.58 55.66 1lky n ASN 53 Cb 0.09 -0.22 -0.10 0.00 -1.02 0.00 0.00 39.78 38.54 1lky n ASN 53 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1lky n THR 54 N -1.22 0.15 -2.18 3.41 -2.24 -0.33 -4.40 114.28 107.47 1lky n THR 54 Ca 0.03 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 1lky n THR 54 Cb 0.04 0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1lky n THR 54 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1lky n PHE 55 N -2.21 3.09 -2.40 4.78 3.01 -0.06 -4.97 117.46 118.70 1lky n PHE 55 Ca -0.01 -2.67 -0.40 0.00 1.01 0.00 0.00 57.45 55.38 1lky n PHE 55 Cb 0.52 -0.34 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 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 -3.62 3.04 0.00 -1.08 0.41 -1.24 -4.81 118.70 111.41 1lky s GLU 56 Ca 0.51 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.01 1lky s GLU 56 Cb 0.41 -4.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.44 1lky s GLU 56 CO -0.09 -2.34 0.00 0.00 -0.49 0.00 0.00 175.26 172.34 1lky n MET 57 N 9.29 0.00 0.00 1.61 0.00 -1.26 -5.13 117.12 121.63 1lky n MET 57 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1lky n MET 57 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.72 1lky n MET 57 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1lky n ASN 58 N 0.00 -0.02 0.01 3.17 2.04 -1.26 -4.24 115.26 114.95 1lky n ASN 58 Ca 0.00 -0.12 -0.18 0.00 -0.44 0.00 0.00 54.58 53.84 1lky n ASN 58 Cb 0.00 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.11 1lky n ASN 58 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1lky h GLY 59 N -0.01 0.22 -0.79 4.83 0.00 -0.89 -3.19 103.07 103.24 1lky h GLY 59 Ca 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 47.33 46.87 1lky h GLY 59 CO 0.00 0.50 -0.48 0.50 0.00 0.00 0.00 176.54 177.05 1lky h LYS 60 N -0.59 -0.10 -0.16 4.80 1.57 -1.72 0.15 116.57 120.51 1lky h LYS 60 Ca -0.09 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1lky h LYS 60 Cb 1.41 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1lky h LYS 60 CO 0.10 -0.07 -0.50 0.38 -0.57 0.00 0.00 179.45 178.80 1lky h ASP 61 N -0.10 0.47 -0.40 0.86 2.03 -1.95 -2.98 116.42 114.35 1lky h ASP 61 Ca 0.21 -0.24 0.07 0.00 -0.73 0.00 0.00 57.03 56.34 1lky h ASP 61 Cb 0.52 -0.13 -0.06 0.00 -0.83 0.00 0.00 39.33 38.83 1lky h ASP 61 CO -0.85 0.89 0.03 0.25 -1.03 0.00 0.00 179.24 178.54 1lky h LEU 62 N 0.35 -0.09 0.00 0.15 5.85 -0.89 0.44 115.31 121.11 1lky h LEU 62 Ca 0.02 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1lky h LEU 62 Cb 1.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1lky h LEU 62 CO 0.09 -0.01 0.07 0.18 -0.34 0.00 0.00 178.44 178.43 1lky n LEU 63 N -5.15 0.00 -0.73 2.25 4.77 0.27 -0.45 117.00 117.96 1lky n LEU 63 Ca 0.03 0.39 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1lky n LEU 63 Cb 0.20 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 41.09 1lky n LEU 63 CO 0.21 -0.39 0.63 0.18 -1.33 0.00 0.00 177.39 176.68 1lky n LEU 64 N -1.39 2.39 -4.78 2.23 4.77 0.15 -4.94 117.00 115.43 1lky n LEU 64 Ca 0.00 -0.80 -0.38 0.00 -0.03 0.00 0.00 56.01 54.80 1lky n LEU 64 Cb 0.07 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1lky n LEU 64 CO 0.00 0.41 0.57 -0.76 -1.33 0.00 0.00 177.39 176.28 1lky s LEU 65 N -2.12 4.46 0.50 2.23 1.43 0.41 -5.07 118.68 120.52 1lky s LEU 65 Ca 0.28 1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 1lky s LEU 65 Cb 0.20 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.73 1lky s LEU 65 CO 0.37 0.06 0.74 0.42 0.23 0.00 0.00 176.35 178.17 1lky s THR 66 N -1.41 3.59 0.35 5.49 -4.23 -1.26 -4.94 115.64 113.24 1lky s THR 66 Ca 0.44 -0.45 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 1lky s THR 66 Cb -0.21 -3.35 0.32 0.00 1.34 0.00 0.00 72.50 70.60 1lky s THR 66 CO 0.25 -0.27 1.87 0.50 -0.54 0.00 0.00 174.62 176.44 1lky h LYS 67 N 0.20 0.68 -0.37 3.99 3.64 -1.97 0.29 116.57 123.03 1lky h LYS 67 Ca -0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1lky h LYS 67 Cb 1.26 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1lky h LYS 67 CO 0.57 0.45 0.18 0.93 -2.27 0.00 0.00 179.45 179.31 1lky h GLU 68 N 0.71 0.51 -0.37 1.90 4.39 -1.98 -1.93 114.58 117.81 1lky h GLU 68 Ca 0.44 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.94 1lky h GLU 68 Cb 0.68 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1lky h GLU 68 CO -0.20 0.39 -0.34 -0.44 -1.16 0.00 0.00 179.01 177.27 1lky h ASP 69 N 0.51 0.94 -0.33 1.42 3.32 -1.31 -2.48 116.42 118.50 1lky h ASP 69 Ca 0.13 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1lky h ASP 69 Cb 0.05 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1lky h ASP 69 CO -0.02 1.20 0.21 -0.26 -1.72 0.00 0.00 179.24 178.65 1lky h PHE 70 N 0.68 0.42 -1.00 4.55 -1.00 -1.14 -2.13 116.94 117.32 1lky h PHE 70 Ca 0.06 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.90 1lky h PHE 70 Cb 0.92 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.28 1lky h PHE 70 CO 0.06 0.28 0.65 0.00 -1.61 0.00 0.00 178.31 177.69 1lky h ARG 71 N 0.43 1.19 0.05 1.51 3.08 -1.29 -0.61 114.38 118.74 1lky h ARG 71 Ca 0.12 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1lky h ARG 71 Cb -0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1lky h ARG 71 CO -0.02 0.79 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.60 1lky h TYR 72 N 1.22 -0.36 0.00 3.04 3.20 -0.96 -0.11 116.97 123.01 1lky h TYR 72 Ca 0.41 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.29 1lky h TYR 72 Cb 0.07 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1lky h TYR 72 CO -0.00 -0.21 0.00 0.54 -1.64 0.00 0.00 178.16 176.85 1lky n ARG 73 N -5.27 0.18 -3.05 1.82 1.74 -0.85 -4.45 116.66 106.80 1lky n ARG 73 Ca -0.06 0.42 0.02 0.00 -0.77 0.00 0.00 57.85 57.47 1lky n ARG 73 Cb 0.18 -1.86 -0.00 0.00 -1.02 0.00 0.00 32.46 29.76 1lky n ARG 73 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1lky s SER 74 N -4.19 -1.00 0.16 0.55 0.15 -0.29 -4.85 113.70 104.24 1lky s SER 74 Ca 0.04 -0.33 0.13 0.00 0.70 0.00 0.00 55.95 56.49 1lky s SER 74 Cb 0.09 1.37 0.67 0.00 -1.71 0.00 0.00 66.02 66.45 1lky s SER 74 CO 0.38 -0.13 1.41 -2.65 1.20 0.00 0.00 173.24 173.45 1lky n PRO 75 N 4.40 0.08 -0.11 5.44 -0.02 -0.13 -0.15 135.00 144.51 1lky n PRO 75 Ca 0.08 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.93 1lky n PRO 75 Cb 0.59 -1.74 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 1lky n PRO 75 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1lky n HIS 76 N -1.91 0.00 -0.16 6.00 8.25 -1.26 -4.72 115.22 121.43 1lky n HIS 76 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1lky n HIS 76 Cb 0.06 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.24 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 -3.06 1.11 -0.02 0.41 7.64 -1.17 -4.83 113.62 113.71 1lky n SER 77 Ca -0.39 -1.27 -0.12 0.00 1.01 0.00 0.00 58.87 58.10 1lky n SER 77 Cb 1.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.14 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 -0.66 1.80 0.23 0.00 -0.74 0.25 103.07 103.95 1lky h GLY 78 Ca 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 1lky h GLY 78 CO 0.00 -0.22 -0.08 1.29 0.00 0.00 0.00 176.54 177.53 1lky h ASP 79 N -0.46 0.24 -0.28 0.19 -0.00 -1.84 0.23 116.42 114.49 1lky h ASP 79 Ca 0.09 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.03 57.00 1lky h ASP 79 Cb 0.61 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.87 1lky h ASP 79 CO -0.41 0.35 -0.14 0.58 -0.00 0.00 0.00 179.24 179.62 1lky h VAL 80 N 0.25 1.30 -0.81 4.15 2.07 -1.76 -0.75 116.25 120.69 1lky h VAL 80 Ca 0.05 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1lky h VAL 80 Cb 0.30 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1lky h VAL 80 CO 0.01 0.39 0.46 -0.07 0.02 0.00 0.00 177.57 178.38 1lky h LEU 81 N 0.32 1.00 0.80 2.57 3.38 -0.41 0.17 115.31 123.14 1lky h LEU 81 Ca 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1lky h LEU 81 Cb 0.65 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1lky h LEU 81 CO 0.04 0.80 -0.38 0.22 0.09 0.00 0.00 178.44 179.21 1lky h TYR 82 N 1.13 -0.99 -0.98 1.13 3.20 -0.69 -1.06 116.97 118.71 1lky h TYR 82 Ca 0.29 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.22 1lky h TYR 82 Cb 0.01 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.54 1lky h TYR 82 CO 0.00 -0.60 0.62 0.93 -1.64 0.00 0.00 178.16 177.47 1lky h GLU 83 N -1.15 1.04 0.08 1.82 4.39 -1.08 0.65 114.58 120.33 1lky h GLU 83 Ca -0.11 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1lky h GLU 83 Cb 0.83 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1lky h GLU 83 CO 0.18 0.69 -0.22 1.25 -1.16 0.00 0.00 179.01 179.75 1lky h LEU 84 N 1.07 -0.62 -0.50 1.33 5.85 -0.48 0.12 115.31 122.08 1lky h LEU 84 Ca 0.45 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.31 1lky h LEU 84 Cb 0.29 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1lky h LEU 84 CO -0.21 -0.30 0.20 0.25 -0.34 0.00 0.00 178.44 178.04 1lky h LEU 85 N -0.39 0.22 -1.11 2.25 5.85 -0.04 -0.21 115.31 121.88 1lky h LEU 85 Ca 0.04 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1lky h LEU 85 Cb 0.43 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1lky h LEU 85 CO -0.14 0.16 0.61 1.56 -0.34 0.00 0.00 178.44 180.28 1lky h GLN 86 N 0.39 0.96 -0.08 1.25 1.08 -0.09 -2.16 115.11 116.45 1lky h GLN 86 Ca 0.24 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1lky h GLN 86 Cb 0.23 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1lky h GLN 86 CO -0.23 0.63 -0.06 0.45 -0.95 0.00 0.00 178.83 178.68 1lky h HIS 87 N 0.99 0.22 -0.93 2.96 3.86 0.57 -0.91 115.15 121.90 1lky h HIS 87 Ca 0.44 -0.06 0.24 0.00 -1.16 0.00 0.00 60.37 59.83 1lky h HIS 87 Cb 0.36 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 1lky h HIS 87 CO -0.00 0.59 0.64 0.82 0.86 0.00 0.00 177.93 180.84 1lky h ILE 88 N -0.21 0.59 0.04 2.45 2.04 -0.54 -0.89 117.51 121.00 1lky h ILE 88 Ca 0.02 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1lky h ILE 88 Cb 0.54 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1lky h ILE 88 CO 0.02 0.04 -0.02 -0.07 0.00 0.00 0.00 178.15 178.12 1lky h LEU 89 N 0.22 -0.05 -1.25 1.44 3.38 -1.28 -3.30 115.31 114.47 1lky h LEU 89 Ca 0.48 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1lky h LEU 89 Cb 1.48 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1lky h LEU 89 CO -0.12 0.53 0.65 0.11 0.09 0.00 0.00 178.44 179.70 1lky h LYS 90 N -1.01 0.00 0.00 1.13 1.57 -0.46 -3.52 116.57 114.28 1lky h LYS 90 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1lky h LYS 90 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1lky h LYS 90 CO 0.01 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.93