#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hky s TYR 2 N 0.00 1.16 0.00 1.24 2.02 -1.26 -5.10 117.35 115.41 1hky s TYR 2 Ca 0.00 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1hky s TYR 2 Cb 0.00 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 1hky s TYR 2 CO 0.00 -0.42 0.00 0.36 -1.57 0.00 0.00 175.55 173.92 1hky n LYS 3 N 4.89 0.00 0.00 -0.62 2.85 -1.26 -4.71 118.16 119.31 1hky n LYS 3 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1hky n LYS 3 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 1hky n LYS 3 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1hky n ASP 4 N -3.81 0.00 0.24 -5.58 8.00 -1.26 -4.77 116.55 109.37 1hky n ASP 4 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1hky n ASP 4 Cb 0.00 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 41.69 1hky n ASP 4 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1hky h ASP 5 N 0.00 0.00 0.49 -2.24 5.19 -2.05 -2.50 116.42 115.31 1hky h ASP 5 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 1hky h ASP 5 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1hky h ASP 5 CO 0.00 0.13 -1.60 0.44 -3.12 0.00 0.00 179.24 175.09 1hky h ASP 6 N 0.00 0.20 -5.58 6.45 3.32 -1.88 -3.49 116.42 115.43 1hky h ASP 6 Ca -0.00 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 1hky h ASP 6 Cb 0.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1hky h ASP 6 CO 0.02 1.28 -0.53 -0.67 -1.72 0.00 0.00 179.24 177.62 1hky n ASP 7 N -3.29 -7.37 -4.98 6.45 -0.08 -0.94 -5.02 116.55 101.32 1hky n ASP 7 Ca -0.17 0.20 -0.20 0.00 -1.51 0.00 0.00 54.79 53.11 1hky n ASP 7 Cb 1.03 -4.60 0.00 0.00 2.34 0.00 0.00 41.12 39.90 1hky n ASP 7 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1hky s LYS 8 N -2.82 3.11 0.08 -0.67 -0.14 -1.26 -5.13 119.74 112.92 1hky s LYS 8 Ca 0.20 -0.82 0.04 0.00 -1.36 0.00 0.00 55.97 54.03 1hky s LYS 8 Cb -0.05 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.34 1hky s LYS 8 CO 0.79 -0.04 -0.10 0.14 -0.76 0.00 0.00 175.35 175.38 1hky s VAL 9 N -2.30 0.87 0.00 3.17 -7.23 -1.26 -4.89 120.40 108.76 1hky s VAL 9 Ca 0.46 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1hky s VAL 9 Cb -0.10 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.70 1hky s VAL 9 CO 0.33 -0.46 0.20 0.29 -0.31 0.00 0.00 175.10 175.15 1hky n LYS 10 N 0.89 0.00 -0.61 4.82 5.02 -1.26 -4.80 118.16 122.21 1hky n LYS 10 Ca -0.18 -0.20 0.08 0.00 -2.02 0.00 0.00 58.31 55.98 1hky n LYS 10 Cb 0.56 -0.50 0.31 0.00 -0.02 0.00 0.00 35.03 35.39 1hky n LYS 10 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1hky n LEU 11 N 0.00 4.56 -4.76 -0.35 -0.00 -1.26 -5.01 117.00 110.17 1hky n LEU 11 Ca 0.00 -3.01 -0.37 0.00 -0.00 0.00 0.00 56.01 52.63 1hky n LEU 11 Cb 0.35 -0.60 0.02 0.00 -0.00 0.00 0.00 43.42 43.19 1hky n LEU 11 CO 0.00 0.67 0.87 0.28 -0.00 0.00 0.00 177.39 179.21 1hky s THR 12 N -2.82 2.71 0.01 1.47 -1.32 -1.26 -5.04 115.64 109.38 1hky s THR 12 Ca 0.47 0.51 -0.04 0.00 -1.21 0.00 0.00 61.69 61.42 1hky s THR 12 Cb 0.37 -3.24 -0.01 0.00 -1.51 0.00 0.00 72.50 68.11 1hky s THR 12 CO 0.11 -0.03 0.06 0.00 -2.21 0.00 0.00 174.62 172.55 1hky s TYR 14 N -1.23 -0.13 -0.28 0.00 1.13 -1.26 -4.97 117.35 110.61 1hky s TYR 14 Ca -0.13 0.25 -0.11 0.00 -1.41 0.00 0.00 57.07 55.67 1hky s TYR 14 Cb -0.08 0.05 0.11 0.00 -1.10 0.00 0.00 41.96 40.94 1hky s TYR 14 CO 0.00 -0.28 0.62 -0.65 -2.51 0.00 0.00 175.55 172.73 1hky s GLN 15 N -0.92 0.56 -0.04 -3.49 -1.52 -1.16 -5.05 119.66 108.04 1hky s GLN 15 Ca -0.10 1.33 -0.30 0.00 -1.95 0.00 0.00 55.36 54.34 1hky s GLN 15 Cb -0.05 0.62 -0.06 0.00 -0.22 0.00 0.00 33.01 33.29 1hky s GLN 15 CO 0.02 -0.20 1.78 -0.80 -0.25 0.00 0.00 175.29 175.84 1hky s ASN 16 N 2.54 6.54 -0.00 5.90 0.01 -1.26 -1.28 114.94 127.39 1hky s ASN 16 Ca -0.06 2.34 0.00 0.00 -0.71 0.00 0.00 52.86 54.43 1hky s ASN 16 Cb -0.10 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1hky s ASN 16 CO -0.18 -1.02 0.69 0.61 -1.51 0.00 0.00 177.10 175.69 1hky n GLY 17 N 4.35 -1.57 1.21 0.66 0.00 -1.24 -4.87 105.19 103.73 1hky n GLY 17 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1hky n GLY 17 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hky n VAL 18 N -0.03 -2.12 -1.75 1.61 0.31 -1.25 -4.76 118.33 110.34 1hky n VAL 18 Ca 0.00 1.10 -0.41 0.00 -0.01 0.00 0.00 64.34 65.02 1hky n VAL 18 Cb 0.56 -1.82 0.01 0.00 -0.91 0.00 0.00 33.84 31.69 1hky n VAL 18 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1hky n SER 19 N -2.50 3.35 -4.89 4.52 2.88 -1.10 -4.78 113.62 111.11 1hky n SER 19 Ca -0.01 1.17 -0.32 0.00 -1.33 0.00 0.00 58.87 58.39 1hky n SER 19 Cb 0.39 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.22 1hky n SER 19 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1hky s PHE 20 N -1.15 3.46 0.28 0.66 0.08 -1.26 -2.69 117.98 117.37 1hky s PHE 20 Ca 0.57 0.69 -0.17 0.00 0.12 0.00 0.00 56.93 58.14 1hky s PHE 20 Cb -0.48 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.87 1hky s PHE 20 CO 0.61 0.38 0.63 -0.08 -0.10 0.00 0.00 175.22 176.66 1hky s THR 21 N -1.70 0.00 0.00 0.64 -1.32 0.96 -4.93 115.64 109.28 1hky s THR 21 Ca 0.43 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1hky s THR 21 Cb -0.12 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 1hky s THR 21 CO 0.23 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 1hky n GLY 22 N -0.45 2.06 3.09 6.08 0.00 -1.26 -0.83 105.19 113.88 1hky n GLY 22 Ca -0.03 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -1.61 3.08 -0.02 0.00 -1.26 -4.80 105.19 100.58 1hky n GLY 23 Ca 0.00 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 1hky n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hky s LYS 24 N -5.32 1.79 0.18 1.61 -0.14 -1.26 -4.92 119.74 111.68 1hky s LYS 24 Ca 0.61 -1.86 -0.31 0.00 -1.36 0.00 0.00 55.97 53.04 1hky s LYS 24 Cb -0.02 -3.43 -0.10 0.00 -1.68 0.00 0.00 37.83 32.60 1hky s LYS 24 CO 0.43 -1.02 1.57 0.00 -0.76 0.00 0.00 175.35 175.57 1hky s ALA 25 N 1.02 3.78 0.18 5.17 0.00 -1.26 -4.88 121.76 125.77 1hky s ALA 25 Ca 0.10 1.39 0.33 0.00 0.00 0.00 0.00 51.96 53.78 1hky s ALA 25 Cb -0.21 -3.62 1.43 0.00 0.00 0.00 0.00 23.12 20.72 1hky s ALA 25 CO -0.06 -0.79 2.01 -0.84 0.00 0.00 0.00 175.76 176.08 1hky h ILE 26 N 3.95 0.10 -1.56 0.00 -0.00 -1.85 -3.44 117.51 114.72 1hky h ILE 26 Ca -0.43 -0.53 0.08 0.00 -0.00 0.00 0.00 64.86 63.98 1hky h ILE 26 Cb 1.21 1.48 -0.27 0.00 -0.00 0.00 0.00 36.82 39.24 1hky h ILE 26 CO 0.91 0.03 0.46 -0.55 -0.00 0.00 0.00 178.15 179.00 1hky s SER 27 N -5.72 -0.44 -0.01 2.16 0.15 -1.21 -5.05 113.70 103.58 1hky s SER 27 Ca 0.00 0.81 0.01 0.00 0.70 0.00 0.00 55.95 57.48 1hky s SER 27 Cb 0.10 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1hky s SER 27 CO 0.54 -0.14 -0.04 -1.61 1.20 0.00 0.00 173.24 173.19 1hky s GLU 28 N 0.48 0.42 -0.18 5.44 2.02 -1.26 -0.42 118.70 125.20 1hky s GLU 28 Ca 0.01 -0.14 -0.04 0.00 0.02 0.00 0.00 54.97 54.82 1hky s GLU 28 Cb -0.05 -0.42 0.06 0.00 0.10 0.00 0.00 34.13 33.82 1hky s GLU 28 CO -0.09 0.06 0.06 0.00 0.02 0.00 0.00 175.26 175.31 1hky s ALA 29 N 0.10 0.72 -0.69 5.21 0.00 -0.56 -4.95 121.76 121.59 1hky s ALA 29 Ca -0.01 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.20 1hky s ALA 29 Cb -0.04 -1.10 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 1hky s ALA 29 CO -0.00 -1.15 2.29 -1.59 0.00 0.00 0.00 175.76 175.31 1hky s LYS 30 N 1.99 1.99 0.01 0.00 -2.85 -1.26 -1.51 119.74 118.11 1hky s LYS 30 Ca 0.01 0.68 0.06 0.00 -1.00 0.00 0.00 55.97 55.71 1hky s LYS 30 Cb -0.16 -4.72 -0.03 0.00 -2.06 0.00 0.00 37.83 30.85 1hky s LYS 30 CO -0.08 -3.77 -0.15 0.00 0.10 0.00 0.00 175.35 171.45 1hky s ALA 31 N 12.77 2.67 -1.18 0.59 0.00 -1.26 -4.83 121.76 130.52 1hky s ALA 31 Ca 0.88 -1.10 0.20 0.00 0.00 0.00 0.00 51.96 51.95 1hky s ALA 31 Cb -0.13 -0.86 0.94 0.00 0.00 0.00 0.00 23.12 23.07 1hky s ALA 31 CO 0.14 0.57 1.65 0.00 0.00 0.00 0.00 175.76 178.12 1hky n ALA 32 N 1.79 1.99 -3.49 0.00 0.00 -1.26 -4.03 120.51 115.52 1hky n ALA 32 Ca -0.16 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 1hky n ALA 32 Cb 0.52 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 1hky n ALA 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hky s SER 33 N -2.82 -0.32 0.52 0.00 1.04 -1.26 -4.98 113.70 105.88 1hky s SER 33 Ca 0.14 0.61 0.24 0.00 0.48 0.00 0.00 55.95 57.41 1hky s SER 33 Cb 0.13 0.54 1.36 0.00 0.10 0.00 0.00 66.02 68.16 1hky s SER 33 CO 0.34 -0.14 2.01 0.28 0.98 0.00 0.00 173.24 176.71 1hky h SER 34 N 6.55 0.03 -0.56 7.02 0.02 -1.93 -1.75 113.55 122.93 1hky h SER 34 Ca -0.34 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.72 1hky h SER 34 Cb 1.17 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 1hky h SER 34 CO 0.34 0.01 0.08 -0.61 -1.14 0.00 0.00 176.83 175.51 1hky h GLN 35 N 0.03 0.19 -0.53 3.45 5.75 -1.97 0.16 115.11 122.19 1hky h GLN 35 Ca 0.24 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1hky h GLN 35 Cb 0.90 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 1hky h GLN 35 CO -0.01 0.13 0.33 0.00 -2.65 0.00 0.00 178.83 176.63 1hky h ALA 36 N 1.46 1.58 0.00 3.38 0.00 -1.73 -0.82 119.26 123.13 1hky h ALA 36 Ca 0.29 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1hky h ALA 36 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1hky h ALA 36 CO -0.41 0.37 -0.49 0.00 0.00 0.00 0.00 179.25 178.73 1hky h GLN 38 N 0.00 0.82 -0.37 0.00 1.08 0.58 -0.34 115.11 116.88 1hky h GLN 38 Ca -0.00 -0.58 -0.05 0.00 -1.45 0.00 0.00 58.65 56.56 1hky h GLN 38 Cb 1.03 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1hky h GLN 38 CO 0.06 1.20 0.02 1.05 -0.95 0.00 0.00 178.83 180.22 1hky h GLU 39 N 0.58 0.65 -0.07 1.46 4.11 -1.28 -2.37 114.58 117.65 1hky h GLU 39 Ca -0.01 -0.19 -0.13 0.00 0.07 0.00 0.00 59.36 59.10 1hky h GLU 39 Cb 1.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1hky h GLU 39 CO 0.13 0.73 -0.52 1.37 0.07 0.00 0.00 179.01 180.79 1hky h LEU 40 N 0.47 0.22 -1.18 3.06 8.10 -1.52 -2.81 115.31 121.65 1hky h LEU 40 Ca 0.11 -0.11 0.03 0.00 0.11 0.00 0.00 57.88 58.02 1hky h LEU 40 Cb 0.43 -0.06 -0.05 0.00 -0.44 0.00 0.00 40.66 40.54 1hky h LEU 40 CO 0.01 0.70 0.56 0.00 -4.11 0.00 0.00 178.44 175.61 1hky h GLU 42 N 1.07 1.16 -0.31 0.00 5.08 -1.17 -2.74 114.58 117.68 1hky h GLU 42 Ca 0.34 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1hky h GLU 42 Cb 0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1hky h GLU 42 CO -0.10 0.92 -0.24 0.87 -1.00 0.00 0.00 179.01 179.46 1hky h LYS 43 N 1.14 0.70 -6.29 2.33 1.79 -1.15 -3.43 116.57 111.67 1hky h LYS 43 Ca 0.27 -0.35 -0.55 0.00 -2.18 0.00 0.00 60.65 57.84 1hky h LYS 43 Cb 0.17 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1hky h LYS 43 CO -0.03 0.96 1.26 -0.25 -1.08 0.00 0.00 179.45 180.32 1hky n ASP 44 N -4.29 3.94 -0.46 0.86 9.92 0.18 -4.83 116.55 121.86 1hky n ASP 44 Ca -0.03 0.80 0.01 0.00 -0.53 0.00 0.00 54.79 55.03 1hky n ASP 44 Cb 0.44 -1.51 0.03 0.00 -0.64 0.00 0.00 41.12 39.44 1hky n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hky n ALA 45 N 8.11 2.57 -0.85 2.24 0.00 -1.26 -2.95 120.51 128.36 1hky n ALA 45 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1hky n ALA 45 Cb 0.40 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.06 0.36 -3.38 0.00 5.02 -1.26 -5.09 118.16 113.75 1hky n LYS 46 Ca 0.02 -0.57 -0.30 0.00 -2.02 0.00 0.00 58.31 55.44 1hky n LYS 46 Cb 0.24 -0.57 -0.04 0.00 -0.02 0.00 0.00 35.03 34.64 1hky n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hky n ARG 48 N -0.62 0.00 -3.63 0.00 0.63 -1.21 -4.87 116.66 106.96 1hky n ARG 48 Ca -0.01 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.63 1hky n ARG 48 Cb 0.53 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.32 1hky n ARG 48 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1hky s PHE 49 N -1.00 1.78 0.84 -0.14 0.08 -0.07 -4.33 117.98 115.14 1hky s PHE 49 Ca 0.00 -2.37 -0.11 0.00 0.12 0.00 0.00 56.93 54.57 1hky s PHE 49 Cb 0.00 -1.64 0.10 0.00 -0.57 0.00 0.00 43.02 40.91 1hky s PHE 49 CO 0.00 -0.77 1.10 -0.59 -0.10 0.00 0.00 175.22 174.85 1hky s PHE 50 N 0.23 2.36 -0.37 0.36 -0.71 -1.26 -1.39 117.98 117.19 1hky s PHE 50 Ca 0.21 1.48 0.06 0.00 -1.04 0.00 0.00 56.93 57.64 1hky s PHE 50 Cb -0.17 -3.12 0.18 0.00 -1.21 0.00 0.00 43.02 38.70 1hky s PHE 50 CO -0.05 -2.16 0.56 0.99 -1.34 0.00 0.00 175.22 173.23 1hky s THR 51 N -2.87 -0.86 0.48 -4.49 2.01 0.24 -2.29 115.64 107.86 1hky s THR 51 Ca 0.63 -0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 1hky s THR 51 Cb -0.18 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1hky s THR 51 CO 0.57 -0.12 0.80 -0.22 -0.69 0.00 0.00 174.62 174.96 1hky s LEU 52 N 2.04 3.63 0.00 4.42 2.96 -0.48 -0.70 118.68 130.54 1hky s LEU 52 Ca 0.14 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 1hky s LEU 52 Cb -0.08 -3.94 0.00 0.00 0.50 0.00 0.00 46.19 42.67 1hky s LEU 52 CO -0.12 -0.57 0.00 0.00 -1.32 0.00 0.00 176.35 174.34 1hky n ALA 53 N -2.15 0.00 0.29 5.97 0.00 0.72 -0.61 120.51 124.74 1hky n ALA 53 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.63 1hky n ALA 53 Cb 0.55 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.92 1hky n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hky h SER 54 N 0.00 0.00 0.00 0.00 0.87 -1.94 -3.33 113.55 109.15 1hky h SER 54 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1hky h SER 54 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1hky h SER 54 CO 0.00 0.00 -0.04 0.61 -0.53 0.00 0.00 176.83 176.87 1hky n GLY 55 N -1.24 -0.46 3.52 5.77 0.00 -1.26 -4.93 105.19 106.59 1hky n GLY 55 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.01 0.49 0.24 1.61 2.20 -1.25 -4.17 119.74 118.87 1hky s LYS 56 Ca 0.01 1.18 0.01 0.00 -0.36 0.00 0.00 55.97 56.81 1hky s LYS 56 Cb 0.04 0.71 -0.04 0.00 -1.51 0.00 0.00 37.83 37.03 1hky s LYS 56 CO -0.01 -0.21 0.42 0.00 -0.36 0.00 0.00 175.35 175.19 1hky s SER 58 N -3.56 -0.14 -0.20 0.00 0.01 0.12 -1.49 113.70 108.44 1hky s SER 58 Ca 0.38 0.65 -0.14 0.00 1.31 0.00 0.00 55.95 58.15 1hky s SER 58 Cb -0.10 1.33 -0.04 0.00 0.21 0.00 0.00 66.02 67.41 1hky s SER 58 CO 0.31 -0.26 0.32 -1.48 0.41 0.00 0.00 173.24 172.53 1hky s LEU 59 N 2.61 4.18 -0.13 2.44 2.34 0.44 0.83 118.68 131.38 1hky s LEU 59 Ca 0.06 0.43 0.00 0.00 0.06 0.00 0.00 54.13 54.69 1hky s LEU 59 Cb -0.14 -2.39 -0.01 0.00 -0.56 0.00 0.00 46.19 43.09 1hky s LEU 59 CO -0.15 0.01 -0.14 -0.36 -1.06 0.00 0.00 176.35 174.65 1hky s PHE 60 N 0.98 2.78 0.24 3.48 0.40 -0.49 -2.57 117.98 122.80 1hky s PHE 60 Ca 0.16 -0.76 -0.03 0.00 -0.60 0.00 0.00 56.93 55.70 1hky s PHE 60 Cb -0.14 -1.84 0.28 0.00 0.51 0.00 0.00 43.02 41.83 1hky s PHE 60 CO 0.06 -0.28 1.72 0.00 0.70 0.00 0.00 175.22 177.41 1hky h ALA 61 N 6.83 1.03 -2.84 5.36 0.00 -1.86 -0.14 119.26 127.64 1hky h ALA 61 Ca -0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1hky h ALA 61 Cb 1.21 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 1hky h ALA 61 CO 0.55 0.59 -0.06 0.34 0.00 0.00 0.00 179.25 180.67 1hky s ASP 62 N -6.67 -0.14 -0.36 0.00 2.15 -1.26 -4.64 116.67 105.75 1hky s ASP 62 Ca -0.09 -0.77 -0.17 0.00 0.43 0.00 0.00 52.55 51.94 1hky s ASP 62 Cb 0.14 0.59 -0.00 0.00 -0.30 0.00 0.00 42.92 43.35 1hky s ASP 62 CO 0.82 -1.12 0.45 -0.62 -0.17 0.00 0.00 175.17 174.52 1hky s ASP 63 N -2.96 6.25 -0.10 -0.34 2.15 -1.26 -4.89 116.67 115.51 1hky s ASP 63 Ca 0.17 -0.19 -0.03 0.00 0.43 0.00 0.00 52.55 52.93 1hky s ASP 63 Cb -0.01 -2.24 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 1hky s ASP 63 CO 0.05 -0.44 -0.12 0.00 -0.17 0.00 0.00 175.17 174.49 1hky n ALA 64 N 5.59 2.18 -1.58 3.66 0.00 -1.26 -4.94 120.51 124.16 1hky n ALA 64 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1hky n ALA 64 Cb 0.49 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.28 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 -3.25 0.56 -1.83 0.00 0.00 -1.26 -5.08 120.51 109.66 1hky n ALA 65 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 1hky n ALA 65 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 3.35 0.30 0.00 0.05 -1.26 -4.06 118.68 117.06 1hky s LEU 66 Ca 0.00 0.71 0.08 0.00 0.05 0.00 0.00 54.13 54.97 1hky s LEU 66 Cb 0.00 -2.57 -0.04 0.00 -2.05 0.00 0.00 46.19 41.54 1hky s LEU 66 CO 0.00 -2.57 0.13 -0.13 -0.55 0.00 0.00 176.35 173.23 1hky s ARG 67 N 7.51 2.51 0.63 1.48 0.52 -0.01 -4.73 118.95 126.86 1hky s ARG 67 Ca 0.81 -1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 1hky s ARG 67 Cb -0.15 -2.29 0.16 0.00 0.52 0.00 0.00 34.95 33.18 1hky s ARG 67 CO 0.24 0.25 0.55 -0.35 0.02 0.00 0.00 175.30 176.00 1hky n PRO 68 N -1.11 -2.18 0.00 3.54 -0.04 -1.26 -0.03 135.00 133.92 1hky n PRO 68 Ca -0.05 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1hky n PRO 68 Cb 0.60 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.75 0.00 0.00 0.52 5.66 -1.09 -4.66 114.28 110.96 1hky n THR 69 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1hky n THR 69 Cb 0.30 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1hky n THR 69 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1hky n LYS 70 N -1.63 0.00 -1.69 1.09 2.85 -1.26 -5.07 118.16 112.44 1hky n LYS 70 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1hky n LYS 70 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1hky n LYS 70 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1hky s SER 71 N -0.49 4.63 0.00 -5.58 0.01 -1.26 -4.77 113.70 106.23 1hky s SER 71 Ca 0.00 0.78 0.23 0.00 1.31 0.00 0.00 55.95 58.28 1hky s SER 71 Cb 0.00 -2.51 1.06 0.00 0.21 0.00 0.00 66.02 64.77 1hky s SER 71 CO 0.00 -2.82 1.76 -0.67 0.41 0.00 0.00 173.24 171.93 1hky n ASP 72 N 15.25 0.00 0.09 2.44 2.03 -1.26 -2.72 116.55 132.38 1hky n ASP 72 Ca 0.33 0.34 0.10 0.00 0.52 0.00 0.00 54.79 56.08 1hky n ASP 72 Cb 0.53 -0.44 0.43 0.00 -0.72 0.00 0.00 41.12 40.93 1hky n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hky n GLY 73 N 0.86 -1.16 3.85 0.27 0.00 -1.26 -4.63 105.19 103.13 1hky n GLY 73 Ca 0.07 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.23 3.12 -0.09 4.61 0.00 -1.17 -4.43 121.76 120.57 1hky s ALA 74 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 1hky s ALA 74 Cb 0.09 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1hky s ALA 74 CO 0.34 -0.29 -0.03 0.08 0.00 0.00 0.00 175.76 175.85 1hky s VAL 75 N -2.69 0.67 0.39 0.00 1.01 0.22 -3.71 120.40 116.29 1hky s VAL 75 Ca 0.57 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.56 1hky s VAL 75 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1hky s VAL 75 CO 0.36 0.31 0.26 -0.94 0.00 0.00 0.00 175.10 175.08 1hky s SER 76 N 1.84 4.78 0.21 3.32 1.04 -0.41 -1.38 113.70 123.11 1hky s SER 76 Ca 0.05 -0.85 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 1hky s SER 76 Cb -0.12 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 1hky s SER 76 CO -0.06 -0.53 0.36 -0.83 0.98 0.00 0.00 173.24 173.16 1hky s GLY 77 N -3.99 0.61 0.19 7.32 0.00 -0.97 -2.98 107.32 107.51 1hky s GLY 77 Ca 0.43 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 44.22 1hky s GLY 77 CO 0.25 -0.79 0.10 0.70 0.00 0.00 0.00 173.10 173.36 1hky n ASN 78 N -0.30 0.61 0.11 1.64 4.13 -1.26 -4.11 115.26 116.07 1hky n ASN 78 Ca -0.04 -2.10 -0.13 0.00 1.68 0.00 0.00 54.58 53.99 1hky n ASN 78 Cb 0.63 0.63 -0.08 0.00 -1.54 0.00 0.00 39.78 39.42 1hky n ASN 78 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1hky h LYS 79 N 0.00 -0.25 -6.32 3.52 1.57 -2.02 -3.40 116.57 109.68 1hky h LYS 79 Ca -0.15 0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 58.10 1hky h LYS 79 Cb 0.61 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 1hky h LYS 79 CO 0.23 0.01 1.18 1.03 -0.57 0.00 0.00 179.45 181.32 1hky s ARG 80 N -5.18 3.21 -0.04 3.15 1.81 -1.26 -4.78 118.95 115.86 1hky s ARG 80 Ca -0.15 0.71 0.05 0.00 -1.72 0.00 0.00 55.73 54.63 1hky s ARG 80 Cb 0.03 -4.18 0.08 0.00 -0.45 0.00 0.00 34.95 30.44 1hky s ARG 80 CO 0.62 -2.03 1.00 0.00 -0.68 0.00 0.00 175.30 174.20 1hky s ILE 82 N -1.40 1.05 0.09 0.00 1.10 -1.26 -4.91 121.20 115.87 1hky s ILE 82 Ca 0.09 -0.95 -0.17 0.00 -0.51 0.00 0.00 60.65 59.11 1hky s ILE 82 Cb 0.08 -0.95 0.03 0.00 0.15 0.00 0.00 42.46 41.77 1hky s ILE 82 CO 0.01 0.00 0.40 -0.22 -2.11 0.00 0.00 174.94 173.02 1hky s LEU 83 N -1.08 0.43 0.00 8.50 2.96 -1.26 -5.06 118.68 123.17 1hky s LEU 83 Ca 0.01 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1hky s LEU 83 Cb -0.08 1.77 0.00 0.00 0.50 0.00 0.00 46.19 48.39 1hky s LEU 83 CO 0.01 -0.77 0.00 -0.11 -1.32 0.00 0.00 176.35 174.16 1hky n LEU 84 N 0.09 0.00 -4.97 -0.68 7.94 -1.26 -5.12 117.00 113.00 1hky n LEU 84 Ca -0.17 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.52 1hky n LEU 84 Cb 0.62 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.59 1hky n LEU 84 CO 0.19 0.00 0.31 -0.70 -1.11 0.00 0.00 177.39 176.08 1hky s GLU 85 N -1.00 2.76 0.00 1.96 2.12 -1.26 -5.38 118.70 117.90 1hky s GLU 85 Ca 0.00 -0.71 0.28 0.00 0.36 0.00 0.00 54.97 54.89 1hky s GLU 85 Cb 0.00 -2.54 0.94 0.00 0.26 0.00 0.00 34.13 32.79 1hky s GLU 85 CO 0.00 -0.50 1.68 -0.40 -0.54 0.00 0.00 175.26 175.50