#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 1.39 -0.13 -1.33 1.01 -1.26 -5.09 121.20 115.78 1lky s ILE 16 Ca 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 60.65 58.49 1lky s ILE 16 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1lky s ILE 16 CO 0.00 -0.77 -0.02 -0.13 0.00 0.00 0.00 174.94 174.02 1lky s ARG 17 N 0.87 3.46 0.82 2.79 0.52 -1.26 -5.06 118.95 121.10 1lky s ARG 17 Ca 0.14 -0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 1lky s ARG 17 Cb -0.21 -2.89 0.08 0.00 0.52 0.00 0.00 34.95 32.45 1lky s ARG 17 CO -0.10 0.39 1.09 -0.51 0.02 0.00 0.00 175.30 176.19 1lky s LEU 18 N -0.04 2.56 0.72 2.53 1.43 -1.26 -5.01 118.68 119.61 1lky s LEU 18 Ca 0.02 1.41 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 1lky s LEU 18 Cb -0.13 -3.99 0.03 0.00 0.03 0.00 0.00 46.19 42.13 1lky s LEU 18 CO 0.02 -2.14 1.14 -2.84 0.23 0.00 0.00 176.35 172.77 1lky s PRO 19 N -5.07 2.35 0.09 1.29 0.02 -1.26 -4.80 135.00 127.63 1lky s PRO 19 Ca 0.61 1.49 -0.18 0.00 0.02 0.00 0.00 61.00 62.95 1lky s PRO 19 Cb -0.16 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 1lky s PRO 19 CO 0.55 -1.62 1.04 0.00 -0.33 0.00 0.00 177.00 176.64 1lky n ALA 20 N -2.84 -0.36 1.96 -1.55 0.00 -1.26 -1.31 120.51 115.16 1lky n ALA 20 Ca 0.11 0.48 0.07 0.00 0.00 0.00 0.00 53.44 54.10 1lky n ALA 20 Cb 0.52 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.35 1lky n ALA 20 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1lky n HIS 21 N -4.43 0.01 0.28 0.00 1.44 -1.26 -2.10 115.22 109.15 1lky n HIS 21 Ca 0.01 -0.01 0.08 0.00 -2.01 0.00 0.00 57.72 55.80 1lky n HIS 21 Cb 0.15 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.66 2.84 -3.54 2.39 4.77 -0.42 -4.77 117.00 117.60 1lky n LEU 22 Ca 0.10 -1.44 -0.39 0.00 -0.03 0.00 0.00 56.01 54.25 1lky n LEU 22 Cb 0.06 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1lky n LEU 22 CO 0.07 0.61 2.76 0.54 -1.33 0.00 0.00 177.39 180.05 1lky n ARG 23 N 0.99 2.79 -3.58 3.23 5.12 -0.89 -4.77 116.66 119.54 1lky n ARG 23 Ca 0.13 -2.25 -0.05 0.00 -1.93 0.00 0.00 57.85 53.75 1lky n ARG 23 Cb 0.46 -3.01 -0.02 0.00 -1.16 0.00 0.00 32.46 28.73 1lky n ARG 23 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1lky s LEU 24 N 1.28 -0.18 0.12 0.55 2.34 -1.26 -5.11 118.68 116.41 1lky s LEU 24 Ca 0.54 -0.03 -0.34 0.00 0.06 0.00 0.00 54.13 54.36 1lky s LEU 24 Cb 0.15 1.56 -0.17 0.00 -0.56 0.00 0.00 46.19 47.16 1lky s LEU 24 CO -0.04 -0.35 1.02 0.00 -1.06 0.00 0.00 176.35 175.92 1lky n GLN 25 N -0.18 0.59 0.25 1.48 6.02 -1.26 -4.81 117.38 119.47 1lky n GLN 25 Ca -0.03 0.21 0.16 0.00 -0.01 0.00 0.00 57.00 57.33 1lky n GLN 25 Cb 0.60 -1.62 0.87 0.00 1.02 0.00 0.00 30.24 31.11 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 2.88 0.00 0.00 -1.09 0.11 -1.95 0.65 132.00 132.60 1lky h PRO 26 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1lky h PRO 26 Cb 1.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.49 1lky h PRO 26 CO 0.67 0.00 -0.14 0.82 -0.21 0.00 0.00 178.00 179.14 1lky h ILE 27 N 0.00 0.64 -0.02 4.15 1.08 -1.87 -1.45 117.51 120.04 1lky h ILE 27 Ca 0.00 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1lky h ILE 27 Cb 0.10 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1lky h ILE 27 CO 0.00 0.13 -0.05 -1.22 -0.69 0.00 0.00 178.15 176.32 1lky n TYR 28 N -3.71 0.00 -2.40 1.37 4.01 0.22 -4.43 117.16 112.22 1lky n TYR 28 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 1lky n TYR 28 Cb 0.25 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 1lky n TYR 28 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1lky s TRP 29 N -2.07 3.46 0.58 -0.72 0.52 -0.55 -4.98 118.94 115.18 1lky s TRP 29 Ca 0.31 1.51 0.05 0.00 0.02 0.00 0.00 56.10 58.00 1lky s TRP 29 Cb 0.20 -3.39 0.08 0.00 -1.15 0.00 0.00 33.47 29.21 1lky s TRP 29 CO 0.35 -1.02 0.80 -1.54 0.02 0.00 0.00 176.95 175.57 1lky s SER 30 N -0.18 5.03 0.13 2.95 1.04 -1.26 -1.80 113.70 119.61 1lky s SER 30 Ca 0.50 -0.51 -0.23 0.00 0.48 0.00 0.00 55.95 56.19 1lky s SER 30 Cb -0.33 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.62 1lky s SER 30 CO 0.38 -1.34 1.66 0.03 0.98 0.00 0.00 173.24 174.95 1lky h ARG 31 N 0.06 -0.24 -0.42 4.02 3.08 -1.93 0.59 114.38 119.53 1lky h ARG 31 Ca -0.35 0.02 0.08 0.00 0.07 0.00 0.00 59.98 59.80 1lky h ARG 31 Cb 1.28 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 1lky h ARG 31 CO 0.43 -0.16 0.29 -0.44 -1.07 0.00 0.00 179.97 179.02 1lky h ASP 32 N -0.25 0.19 -0.22 7.04 5.19 -1.95 -1.50 116.42 124.91 1lky h ASP 32 Ca 0.08 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 1lky h ASP 32 Cb 0.37 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 1lky h ASP 32 CO -0.23 0.12 -0.24 0.44 -3.12 0.00 0.00 179.24 176.21 1lky h ASP 33 N 0.21 0.60 -0.11 6.45 3.32 -1.32 -1.97 116.42 123.59 1lky h ASP 33 Ca 0.19 -0.48 0.01 0.00 0.02 0.00 0.00 57.03 56.77 1lky h ASP 33 Cb 0.50 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1lky h ASP 33 CO -0.03 0.96 0.02 0.58 -1.72 0.00 0.00 179.24 179.05 1lky h VAL 34 N 0.25 0.96 -0.37 -1.35 2.07 -0.17 0.18 116.25 117.82 1lky h VAL 34 Ca 0.03 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1lky h VAL 34 Cb 0.80 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1lky h VAL 34 CO 0.06 0.01 0.22 0.00 0.02 0.00 0.00 177.57 177.88 1lky h ALA 35 N 1.08 1.69 -0.16 1.67 0.00 -1.33 -0.34 119.26 121.87 1lky h ALA 35 Ca 0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1lky h ALA 35 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lky h ALA 35 CO -0.06 0.27 -0.59 0.37 0.00 0.00 0.00 179.25 179.24 1lky h GLN 36 N 0.50 0.53 -0.52 0.00 4.15 -0.70 -2.73 115.11 116.34 1lky h GLN 36 Ca 0.13 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1lky h GLN 36 Cb -0.01 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1lky h GLN 36 CO -0.03 0.97 0.29 2.35 -1.93 0.00 0.00 178.83 180.48 1lky h TRP 37 N 0.40 0.71 0.00 3.99 7.01 0.96 -2.05 115.95 126.98 1lky h TRP 37 Ca -0.00 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 1lky h TRP 37 Cb 1.14 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.97 1lky h TRP 37 CO 0.05 0.52 -0.00 -0.07 -2.79 0.00 0.00 178.44 176.14 1lky h LEU 38 N 0.70 -0.00 -1.74 0.65 3.38 -1.17 0.17 115.31 117.30 1lky h LEU 38 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1lky h LEU 38 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1lky h LEU 38 CO -0.03 0.17 0.16 0.50 0.09 0.00 0.00 178.44 179.34 1lky h LYS 39 N -0.18 0.34 0.01 1.13 3.64 -1.43 -1.21 116.57 118.87 1lky h LYS 39 Ca -0.00 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.09 1lky h LYS 39 Cb 0.18 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1lky h LYS 39 CO 0.00 0.23 -1.05 2.35 -2.27 0.00 0.00 179.45 178.70 1lky h TRP 40 N 0.35 0.98 -0.14 1.91 7.01 -1.13 -3.13 115.95 121.79 1lky h TRP 40 Ca 0.09 -0.54 0.01 0.00 2.11 0.00 0.00 58.89 60.56 1lky h TRP 40 Cb -0.03 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1lky h TRP 40 CO 0.00 1.38 0.06 0.00 -2.79 0.00 0.00 178.44 177.08 1lky h ALA 41 N 0.44 0.16 -0.64 2.65 0.00 -0.17 0.64 119.26 122.34 1lky h ALA 41 Ca -0.13 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1lky h ALA 41 Cb 1.71 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.38 1lky h ALA 41 CO 0.20 -0.38 0.07 0.93 0.00 0.00 0.00 179.25 180.07 1lky h GLU 42 N 0.13 0.18 -0.02 0.00 5.08 -1.31 0.34 114.58 118.99 1lky h GLU 42 Ca 0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1lky h GLU 42 Cb 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1lky h GLU 42 CO -0.05 0.12 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.07 1lky h ASN 43 N 0.19 0.12 -0.83 1.42 2.35 -1.43 0.30 115.58 117.70 1lky h ASN 43 Ca 0.34 -0.67 0.03 0.00 -0.55 0.00 0.00 56.30 55.45 1lky h ASN 43 Cb 0.55 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 1lky h ASN 43 CO -0.49 0.77 0.53 -0.08 -1.65 0.00 0.00 177.43 176.51 1lky h GLU 44 N -0.52 1.00 -0.53 0.81 4.57 -0.51 -3.06 114.58 116.34 1lky h GLU 44 Ca -0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1lky h GLU 44 Cb 0.77 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1lky h GLU 44 CO 0.02 0.66 0.00 1.19 -1.18 0.00 0.00 179.01 179.70 1lky n PHE 45 N -4.57 0.71 -3.91 0.92 3.01 0.12 -5.00 117.46 108.74 1lky n PHE 45 Ca 0.10 -0.49 -0.27 0.00 1.01 0.00 0.00 57.45 57.81 1lky n PHE 45 Cb 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 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 1.09 -1.79 -4.93 4.37 7.64 -0.03 -4.98 113.62 114.99 1lky n SER 46 Ca 0.18 -0.91 -0.25 0.00 1.01 0.00 0.00 58.87 58.89 1lky n SER 46 Cb 0.52 -3.46 0.01 0.00 -1.01 0.00 0.00 64.21 60.28 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 -6.98 3.52 0.26 -3.43 1.43 -0.47 -5.03 118.68 107.98 1lky s LEU 47 Ca 0.23 0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 53.64 1lky s LEU 47 Cb -0.12 -3.49 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1lky s LEU 47 CO 0.86 -0.77 1.02 0.00 0.23 0.00 0.00 176.35 177.70 1lky s ARG 48 N -4.74 4.74 0.16 1.70 1.70 -1.26 -4.84 118.95 116.42 1lky s ARG 48 Ca 0.49 1.65 -0.32 0.00 -0.47 0.00 0.00 55.73 57.09 1lky s ARG 48 Cb -0.10 -3.23 -0.17 0.00 -0.57 0.00 0.00 34.95 30.88 1lky s ARG 48 CO 0.42 0.36 0.90 -2.30 -1.08 0.00 0.00 175.30 173.59 1lky n PRO 49 N 1.34 0.53 -4.60 3.89 -0.02 -1.26 -4.97 135.00 129.91 1lky n PRO 49 Ca -0.02 0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 1lky n PRO 49 Cb 0.46 -1.49 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.55 3.70 -0.21 4.25 1.01 -1.26 -5.07 121.20 123.08 1lky s ILE 50 Ca 0.72 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1lky s ILE 50 Cb -0.95 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1lky s ILE 50 CO 0.55 0.58 1.54 -0.62 0.00 0.00 0.00 174.94 176.99 1lky s ASP 51 N -0.61 6.51 0.00 3.58 -1.08 -1.26 -4.85 116.67 118.96 1lky s ASP 51 Ca 0.09 1.64 -0.02 0.00 -0.52 0.00 0.00 52.55 53.74 1lky s ASP 51 Cb -0.12 -2.53 -0.09 0.00 -1.46 0.00 0.00 42.92 38.72 1lky s ASP 51 CO 0.02 -1.14 1.87 -0.24 0.52 0.00 0.00 175.17 176.20 1lky n SER 52 N 7.99 3.24 0.00 -0.34 2.88 -1.26 -1.77 113.62 124.35 1lky n SER 52 Ca 0.17 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 1lky n SER 52 Cb 0.45 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1lky n SER 52 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1lky n ASN 53 N 2.24 0.21 0.02 -3.46 6.94 -1.26 -4.74 115.26 115.21 1lky n ASN 53 Ca 0.14 -0.75 0.03 0.00 -0.02 0.00 0.00 54.58 53.98 1lky n ASN 53 Cb 0.45 0.09 -0.09 0.00 -2.36 0.00 0.00 39.78 37.87 1lky n ASN 53 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1lky n THR 54 N -0.09 0.93 -2.28 5.53 -2.24 -0.73 -4.36 114.28 111.04 1lky n THR 54 Ca 0.00 -0.65 -0.30 0.00 -2.27 0.00 0.00 64.05 60.82 1lky n THR 54 Cb 0.12 -0.52 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 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 -2.74 3.26 -0.66 4.78 3.01 -1.26 -4.91 117.46 118.93 1lky n PHE 55 Ca -0.10 -2.86 -0.21 0.00 1.01 0.00 0.00 57.45 55.30 1lky n PHE 55 Cb 0.78 -0.40 -0.02 0.00 -0.01 0.00 0.00 39.48 39.83 1lky n PHE 55 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1lky n GLU 56 N -0.53 1.68 -4.02 -1.08 -0.58 -1.26 -4.77 120.64 110.08 1lky n GLU 56 Ca 0.44 -1.34 -0.11 0.00 -0.42 0.00 0.00 57.16 55.72 1lky n GLU 56 Cb 0.58 -2.43 -0.04 0.00 -0.57 0.00 0.00 31.44 28.98 1lky n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lky s MET 57 N 3.87 1.75 0.49 3.49 0.23 -1.26 -5.11 119.30 122.76 1lky s MET 57 Ca 0.36 -1.48 0.08 0.00 -1.03 0.00 0.00 55.69 53.61 1lky s MET 57 Cb 0.09 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.89 1lky s MET 57 CO -0.01 -0.74 0.56 0.54 -2.03 0.00 0.00 175.02 173.35 1lky s ASN 58 N -3.11 5.12 0.21 -1.18 2.20 -1.26 -4.19 114.94 112.72 1lky s ASN 58 Ca 0.25 -0.81 -0.10 0.00 -0.94 0.00 0.00 52.86 51.27 1lky s ASN 58 Cb -0.01 -0.11 0.30 0.00 -2.00 0.00 0.00 41.25 39.43 1lky s ASN 58 CO 0.14 -0.99 1.70 1.23 -2.94 0.00 0.00 177.10 176.24 1lky h GLY 59 N 0.61 0.77 1.10 0.45 0.00 -1.49 0.19 103.07 104.69 1lky h GLY 59 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1lky h GLY 59 CO 0.49 -0.12 0.58 0.50 0.00 0.00 0.00 176.54 177.99 1lky h LYS 60 N 0.25 1.20 -0.29 4.80 1.57 -1.78 0.12 116.57 122.45 1lky h LYS 60 Ca 0.32 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1lky h LYS 60 Cb 0.48 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1lky h LYS 60 CO -0.42 0.81 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.60 1lky h ASP 61 N 1.23 0.71 -0.97 0.86 3.32 -1.73 -3.04 116.42 116.81 1lky h ASP 61 Ca 0.33 -0.45 0.18 0.00 0.02 0.00 0.00 57.03 57.10 1lky h ASP 61 Cb -0.11 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 39.14 1lky h ASP 61 CO -0.07 1.01 0.56 0.25 -1.72 0.00 0.00 179.24 179.28 1lky h LEU 62 N 0.41 0.72 0.00 1.55 5.85 0.59 -0.40 115.31 124.03 1lky h LEU 62 Ca 0.05 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1lky h LEU 62 Cb 0.79 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1lky h LEU 62 CO 0.06 0.26 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 1lky n LEU 63 N -4.79 0.00 0.02 2.25 4.77 -0.09 -2.72 117.00 116.43 1lky n LEU 63 Ca 0.22 0.29 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 1lky n LEU 63 Cb 0.53 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1lky n LEU 63 CO 0.21 -0.12 -0.00 0.18 -1.33 0.00 0.00 177.39 176.33 1lky n LEU 64 N -1.29 0.62 -4.74 2.23 4.77 -0.16 -4.94 117.00 113.50 1lky n LEU 64 Ca 0.08 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1lky n LEU 64 Cb 0.15 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1lky n LEU 64 CO 0.14 0.07 0.90 -0.76 -1.33 0.00 0.00 177.39 176.41 1lky s LEU 65 N -3.77 4.44 0.74 2.23 1.43 -1.10 -5.05 118.68 117.60 1lky s LEU 65 Ca 0.04 2.25 -0.08 0.00 -1.03 0.00 0.00 54.13 55.31 1lky s LEU 65 Cb 0.15 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.84 1lky s LEU 65 CO 0.81 -0.41 1.07 0.42 0.23 0.00 0.00 176.35 178.47 1lky s THR 66 N 0.06 2.20 0.29 5.49 -4.23 -1.26 -4.90 115.64 113.28 1lky s THR 66 Ca 0.54 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.83 1lky s THR 66 Cb -0.33 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.70 1lky s THR 66 CO 0.36 0.00 1.85 0.50 -0.54 0.00 0.00 174.62 176.80 1lky h LYS 67 N -0.76 0.82 -0.80 3.99 3.64 -1.97 -1.14 116.57 120.35 1lky h LYS 67 Ca -0.44 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 58.75 1lky h LYS 67 Cb 1.31 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1lky h LYS 67 CO 0.59 0.71 0.35 1.05 -2.27 0.00 0.00 179.45 179.89 1lky h GLU 68 N 0.80 1.17 -0.38 1.90 9.09 -1.98 -0.04 114.58 125.14 1lky h GLU 68 Ca 0.18 -0.19 -0.06 0.00 0.05 0.00 0.00 59.36 59.34 1lky h GLU 68 Cb 0.24 -0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 27.12 1lky h GLU 68 CO -0.01 0.92 -0.02 -0.44 0.05 0.00 0.00 179.01 179.51 1lky h ASP 69 N 1.15 0.58 -0.20 3.06 3.32 -1.64 0.13 116.42 122.82 1lky h ASP 69 Ca 0.27 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1lky h ASP 69 Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1lky h ASP 69 CO -0.03 0.66 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.80 1lky h PHE 70 N 0.57 0.48 -0.87 4.55 -1.00 -0.35 -2.47 116.94 117.85 1lky h PHE 70 Ca 0.12 -0.12 0.05 0.00 2.81 0.00 0.00 57.97 60.83 1lky h PHE 70 Cb 0.40 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.80 1lky h PHE 70 CO 0.02 0.70 0.57 0.00 -1.61 0.00 0.00 178.31 177.98 1lky h ARG 71 N 0.12 1.00 -0.55 1.51 3.08 -0.60 0.40 114.38 119.34 1lky h ARG 71 Ca 0.05 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1lky h ARG 71 Cb 0.57 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1lky h ARG 71 CO 0.03 0.66 0.27 -0.92 -1.07 0.00 0.00 179.97 178.94 1lky h TYR 72 N 1.03 0.50 -0.19 3.04 -0.00 -0.49 0.14 116.97 121.00 1lky h TYR 72 Ca 0.36 0.02 -0.11 0.00 -0.00 0.00 0.00 58.73 59.00 1lky h TYR 72 Cb 0.11 -0.14 -0.00 0.00 -0.00 0.00 0.00 36.73 36.69 1lky h TYR 72 CO -0.00 0.23 -0.33 0.00 -0.00 0.00 0.00 178.16 178.06 1lky h ARG 73 N 0.52 0.56 -2.84 1.82 -0.00 -0.71 -3.41 114.38 110.32 1lky h ARG 73 Ca 0.25 -0.34 -0.57 0.00 -0.50 0.00 0.00 59.98 58.82 1lky h ARG 73 Cb 0.18 0.04 -0.40 0.00 0.00 0.00 0.00 29.97 29.79 1lky h ARG 73 CO -0.18 0.95 -0.80 0.45 0.00 0.00 0.00 179.97 180.39 1lky s SER 74 N -6.49 3.38 0.58 7.04 0.15 0.13 -4.99 113.70 113.49 1lky s SER 74 Ca -0.13 -1.90 0.28 0.00 0.70 0.00 0.00 55.95 54.90 1lky s SER 74 Cb 0.07 -0.53 1.57 0.00 -1.71 0.00 0.00 66.02 65.41 1lky s SER 74 CO 0.81 -0.36 2.03 -0.65 1.20 0.00 0.00 173.24 176.27 1lky h PRO 75 N 7.55 0.00 0.04 5.44 0.11 -0.98 0.58 132.00 144.74 1lky h PRO 75 Ca -0.06 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.72 1lky h PRO 75 Cb 0.98 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1lky h PRO 75 CO 0.37 0.00 -1.88 0.72 -0.21 0.00 0.00 178.00 177.00 1lky n HIS 76 N -3.86 0.82 0.35 0.65 8.25 -1.26 -4.65 115.22 115.51 1lky n HIS 76 Ca 0.04 0.25 0.06 0.00 -0.26 0.00 0.00 57.72 57.81 1lky n HIS 76 Cb 0.45 -1.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.39 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 -3.92 1.18 -0.32 0.41 7.64 -1.19 -4.76 113.62 112.66 1lky n SER 77 Ca -0.37 -0.49 -0.08 0.00 1.01 0.00 0.00 58.87 58.93 1lky n SER 77 Cb 0.88 1.20 -0.08 0.00 -1.01 0.00 0.00 64.21 65.21 1lky n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lky n GLY 78 N 1.47 -2.00 0.27 0.23 0.00 0.20 0.16 105.19 105.53 1lky n GLY 78 Ca 0.01 0.91 0.14 0.00 0.00 0.00 0.00 46.02 47.08 1lky n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1lky h ASP 79 N 0.00 0.00 0.02 1.61 -0.00 -1.83 -1.14 116.42 115.08 1lky h ASP 79 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1lky h ASP 79 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.64 1lky h ASP 79 CO -0.71 0.09 -0.01 0.58 -0.00 0.00 0.00 179.24 179.19 1lky h VAL 80 N 0.00 1.28 -0.30 4.15 2.07 -0.61 -1.23 116.25 121.62 1lky h VAL 80 Ca -0.00 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.58 1lky h VAL 80 Cb 0.31 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1lky h VAL 80 CO 0.01 0.25 0.12 -0.07 0.02 0.00 0.00 177.57 177.90 1lky h LEU 81 N -0.45 0.16 -0.86 2.57 3.38 -1.01 0.30 115.31 119.39 1lky h LEU 81 Ca -0.00 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1lky h LEU 81 Cb 0.43 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 1lky h LEU 81 CO 0.01 0.13 0.52 0.22 0.09 0.00 0.00 178.44 179.41 1lky h TYR 82 N 0.27 0.96 0.00 1.13 3.20 -1.17 0.68 116.97 122.03 1lky h TYR 82 Ca 0.13 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 1lky h TYR 82 Cb 0.08 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1lky h TYR 82 CO -0.12 0.44 -0.61 0.93 -1.64 0.00 0.00 178.16 177.17 1lky h GLU 83 N 0.91 0.00 -0.19 1.82 4.39 -0.47 -2.33 114.58 118.71 1lky h GLU 83 Ca 0.40 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 1lky h GLU 83 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1lky h GLU 83 CO -0.21 0.61 0.00 1.25 -1.16 0.00 0.00 179.01 179.50 1lky h LEU 84 N 0.00 0.33 -0.50 1.33 5.85 0.77 -0.97 115.31 122.12 1lky h LEU 84 Ca -0.01 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1lky h LEU 84 Cb 1.21 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1lky h LEU 84 CO 0.08 0.56 0.28 0.25 -0.34 0.00 0.00 178.44 179.26 1lky h LEU 85 N 0.10 0.43 -0.78 2.25 5.85 -0.78 0.10 115.31 122.48 1lky h LEU 85 Ca 0.06 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1lky h LEU 85 Cb 0.38 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1lky h LEU 85 CO 0.01 0.30 0.32 1.56 -0.34 0.00 0.00 178.44 180.29 1lky h GLN 86 N 0.55 1.17 0.07 1.25 1.08 -1.34 0.11 115.11 117.99 1lky h GLN 86 Ca 0.21 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1lky h GLN 86 Cb 0.07 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1lky h GLN 86 CO -0.12 0.95 -0.03 1.25 -0.95 0.00 0.00 178.83 179.92 1lky h HIS 87 N 1.14 -0.08 -0.64 2.96 2.76 -0.39 0.13 115.15 121.02 1lky h HIS 87 Ca 0.26 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1lky h HIS 87 Cb 0.21 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 1lky h HIS 87 CO 0.02 -0.00 0.37 0.82 -1.30 0.00 0.00 177.93 177.84 1lky h ILE 88 N -0.15 1.19 0.06 6.26 2.04 -0.62 -2.57 117.51 123.73 1lky h ILE 88 Ca -0.01 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1lky h ILE 88 Cb 0.12 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1lky h ILE 88 CO 0.02 0.20 -0.03 0.25 0.00 0.00 0.00 178.15 178.59 1lky h LEU 89 N 0.89 -0.07 -2.21 1.44 5.85 -0.33 -2.74 115.31 118.14 1lky h LEU 89 Ca 0.23 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1lky h LEU 89 Cb -0.01 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1lky h LEU 89 CO -0.04 0.09 0.12 0.11 -0.34 0.00 0.00 178.44 178.39 1lky h LYS 90 N -0.23 0.00 0.00 1.25 6.56 -0.38 -3.51 116.57 120.27 1lky h LYS 90 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1lky h LYS 90 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1lky h LYS 90 CO 0.01 0.00 0.00 1.04 -2.06 0.00 0.00 179.45 178.44