#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hky n TYR 2 N 0.00 -1.54 1.18 1.24 4.02 -1.26 -3.50 117.16 117.31 1hky n TYR 2 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 1hky n TYR 2 Cb 0.00 0.23 0.30 0.00 -0.02 0.00 0.00 39.34 39.85 1hky n TYR 2 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1hky n LYS 3 N -1.17 0.81 0.09 -0.72 5.02 -1.26 -4.02 118.16 116.91 1hky n LYS 3 Ca 0.00 -0.52 0.01 0.00 -2.02 0.00 0.00 58.31 55.78 1hky n LYS 3 Cb 0.00 -1.49 0.32 0.00 -0.02 0.00 0.00 35.03 33.84 1hky n LYS 3 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1hky h ASP 4 N 1.26 0.29 1.51 4.39 1.82 -1.93 -2.28 116.42 121.48 1hky h ASP 4 Ca 0.00 -0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.51 1hky h ASP 4 Cb 0.54 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1hky h ASP 4 CO 0.00 0.49 -0.26 -0.78 -1.61 0.00 0.00 179.24 177.09 1hky h ASP 5 N 0.27 0.00 0.19 2.28 3.58 -1.69 -3.17 116.42 117.88 1hky h ASP 5 Ca 0.05 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 1hky h ASP 5 Cb 0.49 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1hky h ASP 5 CO 0.03 0.26 -0.20 0.44 -2.88 0.00 0.00 179.24 176.89 1hky h ASP 6 N 0.00 0.02 -3.21 2.28 5.19 -1.61 -3.42 116.42 115.67 1hky h ASP 6 Ca -0.00 -0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.74 1hky h ASP 6 Cb 1.09 -0.01 -0.12 0.00 0.18 0.00 0.00 39.33 40.47 1hky h ASP 6 CO 0.03 0.23 -0.60 1.51 -3.12 0.00 0.00 179.24 177.29 1hky s ASP 7 N -6.98 5.44 0.24 6.45 -4.77 -1.20 -5.12 116.67 110.73 1hky s ASP 7 Ca -0.04 0.13 0.07 0.00 -3.30 0.00 0.00 52.55 49.41 1hky s ASP 7 Cb 0.16 -1.53 -0.04 0.00 -1.09 0.00 0.00 42.92 40.41 1hky s ASP 7 CO 0.70 0.32 0.20 -0.54 0.70 0.00 0.00 175.17 176.56 1hky s LYS 8 N -1.34 2.96 0.08 2.11 1.02 -1.26 -4.94 119.74 118.38 1hky s LYS 8 Ca 0.18 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 55.19 1hky s LYS 8 Cb -0.12 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 1hky s LYS 8 CO 0.08 0.41 -0.10 0.14 -0.92 0.00 0.00 175.35 174.96 1hky s VAL 9 N -2.08 0.89 -0.14 3.17 -7.23 -1.26 -5.13 120.40 108.61 1hky s VAL 9 Ca 0.33 -1.51 -0.20 0.00 -1.81 0.00 0.00 61.98 58.79 1hky s VAL 9 Cb -0.08 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1hky s VAL 9 CO 0.25 -0.49 0.58 -0.54 -0.31 0.00 0.00 175.10 174.58 1hky s LYS 10 N -2.48 4.30 -0.00 4.82 3.01 -1.26 -4.92 119.74 123.21 1hky s LYS 10 Ca 0.02 0.59 0.04 0.00 -1.01 0.00 0.00 55.97 55.60 1hky s LYS 10 Cb -0.05 -3.50 -0.05 0.00 -1.01 0.00 0.00 37.83 33.23 1hky s LYS 10 CO 0.00 -0.03 0.12 1.28 0.51 0.00 0.00 175.35 177.24 1hky n LEU 11 N 4.27 0.10 -4.62 3.17 4.77 -1.26 -4.98 117.00 118.45 1hky n LEU 11 Ca -0.04 -0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.24 1hky n LEU 11 Cb 0.51 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1hky n LEU 11 CO 0.44 0.02 0.52 0.42 -1.33 0.00 0.00 177.39 177.46 1hky s THR 12 N -1.72 4.87 -0.41 -5.08 -4.23 -1.26 -4.89 115.64 102.92 1hky s THR 12 Ca 0.00 1.18 0.08 0.00 -1.18 0.00 0.00 61.69 61.77 1hky s THR 12 Cb 0.03 -4.06 0.37 0.00 1.34 0.00 0.00 72.50 70.17 1hky s THR 12 CO 0.15 -0.13 1.31 0.00 -0.54 0.00 0.00 174.62 175.41 1hky s TYR 14 N 0.21 2.82 -0.24 0.00 1.13 -1.26 -4.52 117.35 115.48 1hky s TYR 14 Ca 0.21 -0.20 -0.02 0.00 -1.41 0.00 0.00 57.07 55.65 1hky s TYR 14 Cb 0.37 -1.29 0.13 0.00 -1.10 0.00 0.00 41.96 40.07 1hky s TYR 14 CO -0.08 0.57 0.35 -1.14 -2.51 0.00 0.00 175.55 172.74 1hky s GLN 15 N -3.74 0.33 -0.52 -3.49 -0.44 -0.78 -5.00 119.66 106.02 1hky s GLN 15 Ca 0.32 0.42 -0.28 0.00 -2.50 0.00 0.00 55.36 53.33 1hky s GLN 15 Cb -0.07 -0.59 -0.01 0.00 -1.64 0.00 0.00 33.01 30.71 1hky s GLN 15 CO 0.22 -0.69 1.66 1.21 0.50 0.00 0.00 175.29 178.19 1hky s ASN 16 N 2.50 5.77 0.00 6.67 3.84 -1.26 -1.67 114.94 130.80 1hky s ASN 16 Ca 0.11 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.75 1hky s ASN 16 Cb -0.15 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1hky s ASN 16 CO -0.17 -1.94 0.00 0.61 -2.79 0.00 0.00 177.10 172.81 1hky n GLY 17 N 5.45 -0.13 3.37 1.21 0.00 -0.36 -4.97 105.19 109.75 1hky n GLY 17 Ca 0.18 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1hky n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hky s VAL 18 N -0.15 0.03 0.00 1.61 -7.23 -1.26 -4.42 120.40 108.98 1hky s VAL 18 Ca 0.00 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1hky s VAL 18 Cb 0.00 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.18 1hky s VAL 18 CO 0.00 -0.12 0.00 -1.20 -0.31 0.00 0.00 175.10 173.47 1hky n SER 19 N 1.42 -1.06 -3.97 4.85 7.64 -0.10 -4.49 113.62 117.91 1hky n SER 19 Ca -0.19 -0.41 -0.09 0.00 1.01 0.00 0.00 58.87 59.19 1hky n SER 19 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 1hky n SER 19 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1hky s PHE 20 N -0.94 0.25 0.18 1.43 0.08 -1.26 -3.90 117.98 113.83 1hky s PHE 20 Ca 0.00 -0.54 -0.24 0.00 0.12 0.00 0.00 56.93 56.27 1hky s PHE 20 Cb 0.00 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.32 1hky s PHE 20 CO 0.00 -0.26 0.93 -0.08 -0.10 0.00 0.00 175.22 175.71 1hky s THR 21 N -2.00 0.00 0.00 0.64 -1.32 0.60 -4.93 115.64 108.64 1hky s THR 21 Ca -0.11 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 1hky s THR 21 Cb -0.06 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 1hky s THR 21 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1hky n GLY 22 N -0.49 0.13 0.00 6.08 0.00 -1.26 -1.15 105.19 108.50 1hky n GLY 22 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1hky n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hky n GLY 23 N -0.06 1.14 2.74 -0.02 0.00 -1.26 -4.20 105.19 103.54 1hky n GLY 23 Ca 0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1hky n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hky n LYS 24 N 0.00 3.57 -1.73 1.61 4.76 -1.26 -4.85 118.16 120.25 1hky n LYS 24 Ca 0.00 -4.57 -0.42 0.00 -2.87 0.00 0.00 58.31 50.45 1hky n LYS 24 Cb 0.00 -2.28 -0.02 0.00 -1.84 0.00 0.00 35.03 30.90 1hky n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hky n ALA 25 N -0.33 2.23 0.78 7.82 0.00 -1.26 -4.73 120.51 125.02 1hky n ALA 25 Ca 0.39 0.38 0.08 0.00 0.00 0.00 0.00 53.44 54.28 1hky n ALA 25 Cb 0.44 -2.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 1hky n ALA 25 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1hky n ILE 26 N 1.88 0.00 -3.64 0.00 -0.00 -1.22 -4.98 119.36 111.39 1hky n ILE 26 Ca 0.08 -0.11 -0.05 0.00 -0.00 0.00 0.00 62.75 62.67 1hky n ILE 26 Cb 0.36 0.98 -0.07 0.00 -0.00 0.00 0.00 39.64 40.91 1hky n ILE 26 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1hky s SER 27 N -2.62 -0.27 0.01 7.28 0.15 -1.25 -5.08 113.70 111.93 1hky s SER 27 Ca 0.06 0.50 0.02 0.00 0.70 0.00 0.00 55.95 57.23 1hky s SER 27 Cb 0.13 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 65.03 1hky s SER 27 CO 0.69 -0.08 -0.07 -1.61 1.20 0.00 0.00 173.24 173.36 1hky s GLU 28 N 0.31 0.55 0.46 5.44 2.02 -1.26 -1.37 118.70 124.85 1hky s GLU 28 Ca 0.03 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.67 1hky s GLU 28 Cb -0.05 -0.48 -0.00 0.00 0.10 0.00 0.00 34.13 33.70 1hky s GLU 28 CO -0.11 0.12 0.37 0.00 0.02 0.00 0.00 175.26 175.65 1hky s ALA 29 N -0.55 4.12 -0.45 5.21 0.00 -0.34 -4.90 121.76 124.84 1hky s ALA 29 Ca -0.01 -1.74 0.06 0.00 0.00 0.00 0.00 51.96 50.27 1hky s ALA 29 Cb -0.05 -0.83 0.41 0.00 0.00 0.00 0.00 23.12 22.65 1hky s ALA 29 CO 0.00 -0.31 1.07 1.17 0.00 0.00 0.00 175.76 177.69 1hky n LYS 30 N -1.59 3.18 -2.90 0.00 4.81 -1.26 -0.37 118.16 120.04 1hky n LYS 30 Ca 0.02 -4.45 -0.21 0.00 -0.87 0.00 0.00 58.31 52.80 1hky n LYS 30 Cb 0.63 -2.16 0.08 0.00 0.02 0.00 0.00 35.03 33.60 1hky n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hky s ALA 31 N -3.48 4.40 -0.09 3.14 0.00 -1.26 -4.85 121.76 119.62 1hky s ALA 31 Ca 0.46 -2.08 0.10 0.00 0.00 0.00 0.00 51.96 50.44 1hky s ALA 31 Cb 0.38 -1.61 -0.14 0.00 0.00 0.00 0.00 23.12 21.76 1hky s ALA 31 CO -0.16 -1.13 0.06 0.00 0.00 0.00 0.00 175.76 174.53 1hky n ALA 32 N -2.48 1.83 -2.36 0.00 0.00 -1.26 -3.04 120.51 113.20 1hky n ALA 32 Ca 0.16 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 1hky n ALA 32 Cb 0.61 -0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 1hky n ALA 32 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hky s SER 33 N -4.17 2.89 0.57 0.00 0.01 -1.26 -4.81 113.70 106.93 1hky s SER 33 Ca -0.05 -0.48 0.28 0.00 1.31 0.00 0.00 55.95 57.01 1hky s SER 33 Cb 0.04 -0.30 1.51 0.00 0.21 0.00 0.00 66.02 67.47 1hky s SER 33 CO 0.44 0.28 1.97 0.28 0.41 0.00 0.00 173.24 176.62 1hky h SER 34 N 5.30 0.00 -0.30 2.44 0.02 -1.94 -1.67 113.55 117.39 1hky h SER 34 Ca -0.43 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.59 1hky h SER 34 Cb 1.13 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.60 1hky h SER 34 CO 0.46 0.00 -0.16 -0.61 -1.14 0.00 0.00 176.83 175.38 1hky h GLN 35 N 0.00 -0.11 -0.07 3.45 5.75 -1.94 0.25 115.11 122.43 1hky h GLN 35 Ca 0.19 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.66 1hky h GLN 35 Cb 0.97 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 1hky h GLN 35 CO -0.00 -0.08 -0.16 0.00 -2.65 0.00 0.00 178.83 175.94 1hky h ALA 36 N 1.11 1.62 0.00 3.38 0.00 -1.73 -1.23 119.26 122.40 1hky h ALA 36 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1hky h ALA 36 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hky h ALA 36 CO -0.38 0.28 -0.19 0.00 0.00 0.00 0.00 179.25 178.96 1hky h GLN 38 N 0.00 0.52 -0.32 0.00 1.08 0.57 -2.15 115.11 114.82 1hky h GLN 38 Ca -0.00 -0.75 -0.14 0.00 -1.45 0.00 0.00 58.65 56.31 1hky h GLN 38 Cb 0.79 0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1hky h GLN 38 CO 0.02 1.34 -0.35 0.93 -0.95 0.00 0.00 178.83 179.82 1hky h GLU 39 N 0.21 0.73 -0.08 1.46 4.39 -1.36 -1.49 114.58 118.43 1hky h GLU 39 Ca -0.18 -0.35 -0.21 0.00 0.34 0.00 0.00 59.36 58.96 1hky h GLU 39 Cb 1.95 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1hky h GLU 39 CO 0.23 0.97 -0.80 1.37 -1.16 0.00 0.00 179.01 179.62 1hky h LEU 40 N 0.61 0.65 -1.12 1.33 -0.00 -1.54 -3.10 115.31 112.14 1hky h LEU 40 Ca 0.06 -0.45 -0.09 0.00 -0.00 0.00 0.00 57.88 57.40 1hky h LEU 40 Cb 0.88 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 1hky h LEU 40 CO 0.08 1.22 -0.38 0.00 -0.00 0.00 0.00 178.44 179.36 1hky h GLU 42 N 0.09 0.33 0.00 0.00 4.39 -1.19 -1.05 114.58 117.14 1hky h GLU 42 Ca 0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1hky h GLU 42 Cb 0.72 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1hky h GLU 42 CO 0.05 0.37 0.00 0.87 -1.16 0.00 0.00 179.01 179.14 1hky h LYS 43 N 0.32 0.00 -5.33 2.33 1.79 -1.47 -3.43 116.57 110.78 1hky h LYS 43 Ca 0.07 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.94 1hky h LYS 43 Cb 0.24 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.77 1hky h LYS 43 CO 0.01 0.00 -0.40 0.34 -1.08 0.00 0.00 179.45 178.31 1hky s ASP 44 N -5.49 6.30 -0.08 0.86 2.15 -0.40 -4.96 116.67 115.04 1hky s ASP 44 Ca 0.04 0.34 0.08 0.00 0.43 0.00 0.00 52.55 53.44 1hky s ASP 44 Cb 0.08 -2.14 0.37 0.00 -0.30 0.00 0.00 42.92 40.93 1hky s ASP 44 CO 0.56 0.10 1.16 0.00 -0.17 0.00 0.00 175.17 176.82 1hky n ALA 45 N 3.78 2.94 -0.19 3.66 0.00 -1.26 -3.54 120.51 125.90 1hky n ALA 45 Ca -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1hky n ALA 45 Cb 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1hky n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hky n LYS 46 N 0.38 2.03 -4.01 0.00 4.76 -1.26 -5.04 118.16 115.03 1hky n LYS 46 Ca 0.13 -1.20 -0.34 0.00 -2.87 0.00 0.00 58.31 54.03 1hky n LYS 46 Cb 0.58 -0.91 -0.06 0.00 -1.84 0.00 0.00 35.03 32.80 1hky n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hky n ARG 48 N 1.41 0.00 -3.80 0.00 1.74 -0.68 -4.93 116.66 110.40 1hky n ARG 48 Ca -0.15 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.64 1hky n ARG 48 Cb 0.53 -0.19 -0.13 0.00 -1.02 0.00 0.00 32.46 31.65 1hky n ARG 48 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1hky s PHE 49 N -1.47 2.41 1.10 -1.55 0.08 -0.43 -1.95 117.98 116.17 1hky s PHE 49 Ca 0.00 -2.65 -0.16 0.00 0.12 0.00 0.00 56.93 54.24 1hky s PHE 49 Cb 0.00 -2.22 0.24 0.00 -0.57 0.00 0.00 43.02 40.47 1hky s PHE 49 CO 0.00 -0.78 1.11 -0.59 -0.10 0.00 0.00 175.22 174.86 1hky s PHE 50 N 0.23 1.27 -0.31 0.36 -0.71 -1.24 -1.84 117.98 115.73 1hky s PHE 50 Ca 0.17 0.69 0.04 0.00 -1.04 0.00 0.00 56.93 56.79 1hky s PHE 50 Cb -0.25 -3.41 0.19 0.00 -1.21 0.00 0.00 43.02 38.35 1hky s PHE 50 CO -0.01 -3.39 0.66 0.99 -1.34 0.00 0.00 175.22 172.14 1hky s THR 51 N -3.04 -0.89 0.31 -4.49 2.01 0.41 -2.40 115.64 107.55 1hky s THR 51 Ca 0.69 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 1hky s THR 51 Cb -0.13 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.57 1hky s THR 51 CO 0.56 0.00 0.68 -0.22 -0.69 0.00 0.00 174.62 174.95 1hky s LEU 52 N 2.68 4.04 0.00 4.42 2.96 0.34 0.02 118.68 133.14 1hky s LEU 52 Ca 0.13 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.15 1hky s LEU 52 Cb -0.08 -3.92 0.00 0.00 0.50 0.00 0.00 46.19 42.69 1hky s LEU 52 CO -0.23 -0.22 0.00 0.00 -1.32 0.00 0.00 176.35 174.59 1hky n ALA 53 N -0.57 0.00 0.26 5.97 0.00 0.21 -0.42 120.51 125.96 1hky n ALA 53 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.63 1hky n ALA 53 Cb 0.53 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.79 1hky n ALA 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hky h SER 54 N 0.00 0.00 0.00 0.00 4.64 -1.54 -3.34 113.55 113.32 1hky h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hky h SER 54 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1hky h SER 54 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1hky n GLY 55 N -1.30 0.00 3.61 -0.77 0.00 -1.26 -4.92 105.19 100.55 1hky n GLY 55 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1hky n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hky s LYS 56 N 0.00 0.58 0.51 1.61 2.20 -1.17 -4.16 119.74 119.31 1hky s LYS 56 Ca 0.00 1.42 -0.11 0.00 -0.36 0.00 0.00 55.97 56.92 1hky s LYS 56 Cb 0.00 0.85 -0.05 0.00 -1.51 0.00 0.00 37.83 37.12 1hky s LYS 56 CO 0.00 -0.23 0.90 0.00 -0.36 0.00 0.00 175.35 175.66 1hky s SER 58 N -3.67 1.29 -0.04 0.00 0.01 0.10 -1.19 113.70 110.20 1hky s SER 58 Ca 0.53 -0.59 -0.21 0.00 1.31 0.00 0.00 55.95 56.99 1hky s SER 58 Cb -0.10 0.67 -0.05 0.00 0.21 0.00 0.00 66.02 66.75 1hky s SER 58 CO 0.41 -0.37 0.62 -1.48 0.41 0.00 0.00 173.24 172.84 1hky s LEU 59 N 2.41 4.36 -0.03 2.44 2.34 -0.47 0.15 118.68 129.88 1hky s LEU 59 Ca 0.09 1.13 0.07 0.00 0.06 0.00 0.00 54.13 55.49 1hky s LEU 59 Cb -0.14 -2.96 -0.02 0.00 -0.56 0.00 0.00 46.19 42.51 1hky s LEU 59 CO -0.30 -0.00 -0.25 -0.36 -1.06 0.00 0.00 176.35 174.38 1hky s PHE 60 N 0.32 2.26 0.10 3.48 0.08 -0.77 -3.39 117.98 120.06 1hky s PHE 60 Ca 0.33 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 1hky s PHE 60 Cb -0.18 -1.46 -0.20 0.00 -0.57 0.00 0.00 43.02 40.62 1hky s PHE 60 CO 0.17 -0.09 1.22 0.00 -0.10 0.00 0.00 175.22 176.42 1hky h ALA 61 N 5.70 0.23 -2.96 5.36 0.00 -1.83 -0.91 119.26 124.85 1hky h ALA 61 Ca -0.39 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 53.73 1hky h ALA 61 Cb 1.14 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1hky h ALA 61 CO 0.47 0.94 0.15 0.34 0.00 0.00 0.00 179.25 181.15 1hky s ASP 62 N -7.08 -0.25 0.14 0.00 2.15 -1.26 -4.65 116.67 105.71 1hky s ASP 62 Ca -0.04 -0.62 -0.21 0.00 0.43 0.00 0.00 52.55 52.11 1hky s ASP 62 Cb 0.08 0.68 -0.07 0.00 -0.30 0.00 0.00 42.92 43.31 1hky s ASP 62 CO 0.87 -1.26 0.67 -1.81 -0.17 0.00 0.00 175.17 173.46 1hky s ASP 63 N -2.92 7.16 0.00 -0.34 1.01 -1.26 -4.86 116.67 115.45 1hky s ASP 63 Ca 0.12 1.41 0.00 0.00 0.71 0.00 0.00 52.55 54.79 1hky s ASP 63 Cb -0.04 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1hky s ASP 63 CO 0.05 0.20 0.00 0.00 0.21 0.00 0.00 175.17 175.63 1hky n ALA 64 N 1.43 1.73 -0.97 5.23 0.00 -1.26 -5.01 120.51 121.67 1hky n ALA 64 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1hky n ALA 64 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1hky n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hky n ALA 65 N -1.26 0.98 -1.57 0.00 0.00 -1.26 -5.05 120.51 112.35 1hky n ALA 65 Ca 0.00 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.58 1hky n ALA 65 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1hky n ALA 65 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1hky s LEU 66 N -0.03 3.41 0.32 0.00 2.34 -1.26 -4.26 118.68 119.20 1hky s LEU 66 Ca 0.00 1.26 0.08 0.00 0.06 0.00 0.00 54.13 55.53 1hky s LEU 66 Cb 0.00 -2.73 -0.04 0.00 -0.56 0.00 0.00 46.19 42.87 1hky s LEU 66 CO 0.00 -2.69 0.18 -0.13 -1.06 0.00 0.00 176.35 172.65 1hky s ARG 67 N 7.85 2.53 1.19 1.48 0.52 -0.30 -4.77 118.95 127.45 1hky s ARG 67 Ca 0.98 -1.40 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 1hky s ARG 67 Cb -0.20 -2.31 0.30 0.00 0.52 0.00 0.00 34.95 33.26 1hky s ARG 67 CO 0.28 0.17 0.97 -0.35 0.02 0.00 0.00 175.30 176.38 1hky n PRO 68 N -1.19 -3.38 0.00 3.54 -0.04 -1.25 -0.29 135.00 132.39 1hky n PRO 68 Ca -0.04 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1hky n PRO 68 Cb 0.60 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1hky n PRO 68 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1hky n THR 69 N -4.90 0.00 -3.50 0.52 5.66 -1.26 -4.63 114.28 106.17 1hky n THR 69 Ca 0.14 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.03 1hky n THR 69 Cb 0.55 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.31 1hky n THR 69 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1hky s LYS 70 N -0.99 1.29 -0.03 1.09 2.47 -1.26 -5.01 119.74 117.29 1hky s LYS 70 Ca 0.00 -0.52 0.06 0.00 -1.56 0.00 0.00 55.97 53.95 1hky s LYS 70 Cb 0.00 0.56 0.12 0.00 -1.46 0.00 0.00 37.83 37.05 1hky s LYS 70 CO 0.00 -0.57 1.08 0.43 0.16 0.00 0.00 175.35 176.45 1hky n SER 71 N -0.38 2.28 -4.56 1.43 7.64 -1.26 -0.92 113.62 117.85 1hky n SER 71 Ca -0.14 -2.27 -0.29 0.00 1.01 0.00 0.00 58.87 57.18 1hky n SER 71 Cb 0.64 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 1hky n SER 71 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1hky s ASP 72 N -1.43 5.33 -1.40 6.43 1.11 -1.26 -3.43 116.67 122.02 1hky s ASP 72 Ca 0.11 -0.70 -0.02 0.00 0.18 0.00 0.00 52.55 52.12 1hky s ASP 72 Cb 0.09 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.52 1hky s ASP 72 CO 0.03 -2.55 0.29 0.61 1.18 0.00 0.00 175.17 174.73 1hky n GLY 73 N 6.76 -0.34 3.67 0.21 0.00 -1.26 -3.44 105.19 110.79 1hky n GLY 73 Ca 0.37 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 1hky n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hky s ALA 74 N -2.99 3.53 -0.29 4.61 0.00 -1.22 -2.73 121.76 122.66 1hky s ALA 74 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 1hky s ALA 74 Cb -0.06 -2.79 0.09 0.00 0.00 0.00 0.00 23.12 20.35 1hky s ALA 74 CO 0.18 -0.36 0.08 0.08 0.00 0.00 0.00 175.76 175.74 1hky s VAL 75 N 1.45 0.88 0.29 0.00 1.01 0.43 -1.22 120.40 123.24 1hky s VAL 75 Ca 0.25 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 61.00 1hky s VAL 75 Cb -0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1hky s VAL 75 CO 0.10 -0.59 0.24 -0.94 0.00 0.00 0.00 175.10 173.90 1hky s SER 76 N 1.63 5.43 0.27 3.32 1.04 -0.67 -0.50 113.70 124.21 1hky s SER 76 Ca 0.08 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1hky s SER 76 Cb -0.17 -1.22 0.01 0.00 0.10 0.00 0.00 66.02 64.73 1hky s SER 76 CO -0.22 -0.17 0.40 0.61 0.98 0.00 0.00 173.24 174.83 1hky n GLY 77 N -1.26 2.21 1.85 7.32 0.00 -1.01 -1.86 105.19 112.44 1hky n GLY 77 Ca -0.05 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1hky n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hky n ASN 78 N -1.70 0.57 0.03 1.61 4.13 -1.26 -3.69 115.26 114.94 1hky n ASN 78 Ca -0.00 -2.22 -0.13 0.00 1.68 0.00 0.00 54.58 53.91 1hky n ASN 78 Cb 0.44 0.71 -0.09 0.00 -1.54 0.00 0.00 39.78 39.30 1hky n ASN 78 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1hky h LYS 79 N 0.00 -0.06 -6.08 3.52 3.11 -1.78 -3.45 116.57 111.83 1hky h LYS 79 Ca -0.16 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.09 1hky h LYS 79 Cb 0.68 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.87 1hky h LYS 79 CO 0.25 0.26 -0.53 -0.98 -2.81 0.00 0.00 179.45 175.64 1hky s ARG 80 N -4.87 3.17 -0.01 1.90 1.70 -1.26 -5.05 118.95 114.54 1hky s ARG 80 Ca -0.15 -0.65 -0.07 0.00 -0.47 0.00 0.00 55.73 54.40 1hky s ARG 80 Cb 0.03 -2.85 -0.02 0.00 -0.57 0.00 0.00 34.95 31.54 1hky s ARG 80 CO 0.65 0.55 -0.13 0.00 -1.08 0.00 0.00 175.30 175.29 1hky s ILE 82 N -2.33 1.87 0.03 0.00 -4.36 -1.26 -5.10 121.20 110.05 1hky s ILE 82 Ca -0.11 -1.66 -0.04 0.00 -0.26 0.00 0.00 60.65 58.58 1hky s ILE 82 Cb 0.02 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 1hky s ILE 82 CO 0.16 -0.26 0.05 -0.22 0.24 0.00 0.00 174.94 174.92 1hky s LEU 83 N 1.19 1.97 -0.54 0.37 2.96 -1.26 -4.98 118.68 118.39 1hky s LEU 83 Ca -0.01 -0.56 -0.14 0.00 -0.22 0.00 0.00 54.13 53.20 1hky s LEU 83 Cb -0.19 0.44 0.02 0.00 0.50 0.00 0.00 46.19 46.96 1hky s LEU 83 CO -0.08 -0.46 0.64 -0.11 -1.32 0.00 0.00 176.35 175.02 1hky n LEU 84 N 0.93 -6.48 -3.59 -0.68 7.94 -1.26 -5.05 117.00 108.81 1hky n LEU 84 Ca -0.20 0.18 -0.16 0.00 -1.11 0.00 0.00 56.01 54.72 1hky n LEU 84 Cb 0.58 -3.01 -0.07 0.00 0.53 0.00 0.00 43.42 41.45 1hky n LEU 84 CO 0.23 -1.53 0.34 -1.61 -1.11 0.00 0.00 177.39 173.70 1hky s GLU 85 N -2.84 0.92 0.00 1.96 2.02 -1.26 -5.29 118.70 114.21 1hky s GLU 85 Ca 0.19 0.30 0.16 0.00 0.02 0.00 0.00 54.97 55.63 1hky s GLU 85 Cb -0.04 0.43 0.94 0.00 0.10 0.00 0.00 34.13 35.56 1hky s GLU 85 CO 0.79 -0.26 1.35 -0.25 0.02 0.00 0.00 175.26 176.92