#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 -0.21 -1.61 1.24 4.02 -1.26 -5.17 117.16 114.17 1hky n TYR 2 Ca 0.00 -1.14 -0.13 0.00 -0.01 0.00 0.00 57.90 56.62 1hky n TYR 2 Cb 0.00 0.08 0.09 0.00 -0.02 0.00 0.00 39.34 39.49 1hky n TYR 2 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1hky n LYS 3 N -0.30 -0.44 0.00 -0.72 2.85 -1.26 -5.04 118.16 113.25 1hky n LYS 3 Ca 0.01 -1.02 0.00 0.00 -1.05 0.00 0.00 58.31 56.26 1hky n LYS 3 Cb 0.25 -0.58 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 1hky n LYS 3 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1hky n ASP 4 N -3.32 0.00 -4.82 -5.58 -0.08 -1.26 -5.13 116.55 96.36 1hky n ASP 4 Ca 0.08 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.08 1hky n ASP 4 Cb 0.27 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.82 1hky n ASP 4 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1hky s ASP 5 N -1.09 4.48 -0.20 1.67 1.47 -1.26 -5.03 116.67 116.70 1hky s ASP 5 Ca 0.00 0.54 0.12 0.00 1.18 0.00 0.00 52.55 54.38 1hky s ASP 5 Cb 0.00 -1.04 -0.21 0.00 -0.34 0.00 0.00 42.92 41.33 1hky s ASP 5 CO 0.00 -1.87 -0.03 0.47 0.68 0.00 0.00 175.17 174.42 1hky n ASP 6 N -3.18 0.98 0.00 2.11 8.00 -1.26 -4.99 116.55 118.21 1hky n ASP 6 Ca 0.09 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1hky n ASP 6 Cb 0.61 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 1hky n ASP 6 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hky n ASP 7 N -2.87 0.00 -3.33 -2.24 2.03 -1.26 -5.17 116.55 103.71 1hky n ASP 7 Ca -0.35 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.76 1hky n ASP 7 Cb 1.06 0.33 -0.06 0.00 -0.72 0.00 0.00 41.12 41.72 1hky n ASP 7 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1hky n LYS 8 N -2.50 0.57 -1.96 -0.67 4.76 -1.26 -5.13 118.16 111.98 1hky n LYS 8 Ca 0.00 -2.84 -0.41 0.00 -2.87 0.00 0.00 58.31 52.19 1hky n LYS 8 Cb 0.00 1.71 -0.01 0.00 -1.84 0.00 0.00 35.03 34.88 1hky n LYS 8 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1hky s VAL 9 N -2.88 2.39 -1.15 -0.18 -7.23 -1.26 -4.94 120.40 105.15 1hky s VAL 9 Ca 0.21 0.39 -0.07 0.00 -1.81 0.00 0.00 61.98 60.70 1hky s VAL 9 Cb 0.01 -3.25 0.26 0.00 0.56 0.00 0.00 36.38 33.96 1hky s VAL 9 CO 0.15 0.09 1.55 0.29 -0.31 0.00 0.00 175.10 176.87 1hky n LYS 10 N 0.70 4.06 -2.95 4.82 5.02 -1.26 -4.63 118.16 123.93 1hky n LYS 10 Ca 0.01 -4.21 -0.21 0.00 -2.02 0.00 0.00 58.31 51.88 1hky n LYS 10 Cb 0.40 -2.67 0.01 0.00 -0.02 0.00 0.00 35.03 32.76 1hky n LYS 10 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1hky n LEU 11 N 2.48 -2.05 -4.65 -0.35 4.32 -1.26 -4.97 117.00 110.52 1hky n LEU 11 Ca 0.30 -0.21 -0.30 0.00 -0.02 0.00 0.00 56.01 55.78 1hky n LEU 11 Cb 0.35 -2.62 -0.09 0.00 -1.62 0.00 0.00 43.42 39.45 1hky n LEU 11 CO 0.71 0.10 -0.36 0.28 -1.22 0.00 0.00 177.39 176.90 1hky s THR 12 N -3.01 3.82 0.00 -5.08 -1.32 -1.26 -5.00 115.64 103.78 1hky s THR 12 Ca 0.24 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 1hky s THR 12 Cb -0.12 -2.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1hky s THR 12 CO 0.30 0.14 0.00 0.00 -2.21 0.00 0.00 174.62 172.85 1hky n TYR 14 N -1.09 -0.90 -4.09 0.00 4.11 -1.26 -3.92 117.16 110.01 1hky n TYR 14 Ca 0.00 -2.42 -0.14 0.00 -0.00 0.00 0.00 57.90 55.34 1hky n TYR 14 Cb 0.14 0.33 -0.12 0.00 -0.00 0.00 0.00 39.34 39.69 1hky n TYR 14 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1hky s GLN 15 N -3.08 0.51 -0.25 -3.48 -0.21 -0.63 -5.02 119.66 107.50 1hky s GLN 15 Ca 0.33 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 55.11 1hky s GLN 15 Cb 0.01 -0.34 0.05 0.00 1.00 0.00 0.00 33.01 33.74 1hky s GLN 15 CO 0.24 0.07 -0.11 0.54 -2.12 0.00 0.00 175.29 173.90 1hky s ASN 16 N -1.23 4.30 0.00 5.90 2.20 -1.26 -1.81 114.94 123.05 1hky s ASN 16 Ca -0.07 -1.27 0.00 0.00 -0.94 0.00 0.00 52.86 50.58 1hky s ASN 16 Cb -0.08 -1.56 0.00 0.00 -2.00 0.00 0.00 41.25 37.61 1hky s ASN 16 CO 0.00 -0.17 0.00 0.61 -2.94 0.00 0.00 177.10 174.60 1hky n GLY 17 N 4.48 1.61 2.64 0.45 0.00 0.26 -4.89 105.19 109.74 1hky n GLY 17 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1hky n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hky s VAL 18 N -1.80 0.38 -0.11 1.61 1.01 -1.26 -3.79 120.40 116.44 1hky s VAL 18 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1hky s VAL 18 Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1hky s VAL 18 CO 0.00 -0.64 0.60 -0.94 0.00 0.00 0.00 175.10 174.12 1hky s SER 19 N 1.88 6.82 0.29 3.32 1.04 -0.72 -3.79 113.70 122.54 1hky s SER 19 Ca 0.08 0.99 -0.09 0.00 0.48 0.00 0.00 55.95 57.41 1hky s SER 19 Cb -0.17 -2.35 -0.07 0.00 0.10 0.00 0.00 66.02 63.54 1hky s SER 19 CO -0.28 -0.09 0.60 -0.36 0.98 0.00 0.00 173.24 174.09 1hky s PHE 20 N 0.89 3.45 0.16 5.02 0.08 -1.26 -2.89 117.98 123.42 1hky s PHE 20 Ca 0.32 0.85 -0.25 0.00 0.12 0.00 0.00 56.93 57.97 1hky s PHE 20 Cb -0.16 -2.26 0.07 0.00 -0.57 0.00 0.00 43.02 40.09 1hky s PHE 20 CO 0.14 0.16 0.98 -0.08 -0.10 0.00 0.00 175.22 176.31 1hky s THR 21 N -2.02 0.00 0.00 0.64 -1.32 0.79 -4.92 115.64 108.81 1hky s THR 21 Ca 0.47 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 1hky s THR 21 Cb -0.11 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.76 1hky s THR 21 CO 0.26 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 1hky n GLY 22 N -0.50 2.01 3.92 6.08 0.00 -1.26 -0.98 105.19 114.46 1hky n GLY 22 Ca -0.06 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1hky n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hky s GLY 23 N -0.13 1.73 -0.34 -0.02 0.00 -1.09 -4.74 107.32 102.73 1hky s GLY 23 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 1hky s GLY 23 CO 0.00 -0.36 0.11 0.54 0.00 0.00 0.00 173.10 173.39 1hky s LYS 24 N -5.81 2.61 0.08 2.90 -0.14 -1.26 -4.81 119.74 113.31 1hky s LYS 24 Ca 0.71 -1.20 -0.31 0.00 -1.36 0.00 0.00 55.97 53.82 1hky s LYS 24 Cb -0.06 -3.47 -0.07 0.00 -1.68 0.00 0.00 37.83 32.56 1hky s LYS 24 CO 0.52 -0.68 1.36 0.00 -0.76 0.00 0.00 175.35 175.79 1hky s ALA 25 N 1.40 3.55 0.54 5.17 0.00 -1.26 -4.88 121.76 126.28 1hky s ALA 25 Ca -0.01 1.02 0.41 0.00 0.00 0.00 0.00 51.96 53.37 1hky s ALA 25 Cb -0.20 -3.53 2.14 0.00 0.00 0.00 0.00 23.12 21.53 1hky s ALA 25 CO 0.03 -0.65 2.28 -0.84 0.00 0.00 0.00 175.76 176.57 1hky h ILE 26 N 4.46 0.08 -1.51 0.00 -0.00 -1.82 -3.43 117.51 115.28 1hky h ILE 26 Ca -0.41 -0.13 0.08 0.00 -0.00 0.00 0.00 64.86 64.40 1hky h ILE 26 Cb 1.20 1.12 -0.27 0.00 -0.00 0.00 0.00 36.82 38.87 1hky h ILE 26 CO 0.86 0.01 0.53 -0.55 -0.00 0.00 0.00 178.15 179.00 1hky s SER 27 N -5.40 -0.38 -0.00 2.16 0.15 -1.22 -5.05 113.70 103.96 1hky s SER 27 Ca -0.04 0.72 0.06 0.00 0.70 0.00 0.00 55.95 57.39 1hky s SER 27 Cb 0.12 0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 65.14 1hky s SER 27 CO 0.46 -0.14 -0.18 -1.61 1.20 0.00 0.00 173.24 172.97 1hky s GLU 28 N 0.12 1.44 -0.37 5.44 2.02 -1.26 -0.88 118.70 125.21 1hky s GLU 28 Ca 0.04 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.38 1hky s GLU 28 Cb -0.05 -1.41 0.10 0.00 0.10 0.00 0.00 34.13 32.87 1hky s GLU 28 CO -0.07 0.38 0.08 0.00 0.02 0.00 0.00 175.26 175.67 1hky s ALA 29 N -0.49 2.95 -0.79 5.21 0.00 -0.21 -4.93 121.76 123.49 1hky s ALA 29 Ca 0.07 -2.65 -0.26 0.00 0.00 0.00 0.00 51.96 49.12 1hky s ALA 29 Cb -0.07 -2.00 -0.14 0.00 0.00 0.00 0.00 23.12 20.91 1hky s ALA 29 CO -0.00 -1.74 2.42 1.63 0.00 0.00 0.00 175.76 178.06 1hky n LYS 30 N 4.07 0.55 -4.24 0.00 5.02 -1.26 -0.89 118.16 121.41 1hky n LYS 30 Ca 0.04 -0.85 -0.16 0.00 -2.02 0.00 0.00 58.31 55.32 1hky n LYS 30 Cb 0.40 -3.68 -0.11 0.00 -0.02 0.00 0.00 35.03 31.63 1hky n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hky s ALA 31 N 14.78 1.45 -2.44 7.82 0.00 -1.25 -4.93 121.76 137.18 1hky s ALA 31 Ca 0.93 -1.38 0.25 0.00 0.00 0.00 0.00 51.96 51.77 1hky s ALA 31 Cb -0.14 -0.01 0.46 0.00 0.00 0.00 0.00 23.12 23.43 1hky s ALA 31 CO 0.09 -0.01 1.40 0.00 0.00 0.00 0.00 175.76 177.24 1hky n ALA 32 N 0.18 2.85 -3.25 0.00 0.00 -1.26 -3.00 120.51 116.02 1hky n ALA 32 Ca -0.13 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 1hky n ALA 32 Cb 0.59 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.19 -0.12 0.51 0.00 1.04 -1.26 -4.70 113.70 106.98 1hky s SER 33 Ca 0.28 0.26 0.20 0.00 0.48 0.00 0.00 55.95 57.17 1hky s SER 33 Cb 0.20 0.22 1.30 0.00 0.10 0.00 0.00 66.02 67.84 1hky s SER 33 CO 0.41 -0.08 2.05 0.28 0.98 0.00 0.00 173.24 176.88 1hky h SER 34 N 6.39 0.05 -0.70 7.02 0.02 -1.95 -1.88 113.55 122.51 1hky h SER 34 Ca -0.31 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1hky h SER 34 Cb 1.18 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 1hky h SER 34 CO 0.43 0.03 0.29 -0.61 -1.14 0.00 0.00 176.83 175.83 1hky h GLN 35 N 0.06 0.45 0.00 3.45 5.75 -1.99 0.18 115.11 123.00 1hky h GLN 35 Ca 0.16 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1hky h GLN 35 Cb 0.57 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1hky h GLN 35 CO -0.01 0.30 -0.32 0.00 -2.65 0.00 0.00 178.83 176.14 1hky h ALA 36 N 1.49 1.42 0.00 3.38 0.00 -1.77 -2.03 119.26 121.75 1hky h ALA 36 Ca 0.37 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1hky h ALA 36 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1hky h ALA 36 CO -0.35 0.41 -0.45 0.00 0.00 0.00 0.00 179.25 178.86 1hky h GLN 38 N 0.00 0.24 -0.22 0.00 4.20 -0.19 -1.64 115.11 117.50 1hky h GLN 38 Ca -0.00 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 1hky h GLN 38 Cb 1.12 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1hky h GLN 38 CO 0.06 0.82 -0.35 1.05 -0.67 0.00 0.00 178.83 179.73 1hky h GLU 39 N -0.28 0.47 0.56 1.46 4.11 -1.49 -1.51 114.58 117.91 1hky h GLU 39 Ca -0.01 -0.21 -0.03 0.00 0.07 0.00 0.00 59.36 59.18 1hky h GLU 39 Cb 0.84 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.09 1hky h GLU 39 CO 0.04 0.76 -0.27 1.25 0.07 0.00 0.00 179.01 180.86 1hky h LEU 40 N 0.40 -0.64 -2.35 3.06 7.12 -1.39 -2.87 115.31 118.64 1hky h LEU 40 Ca 0.04 -0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1hky h LEU 40 Cb 0.80 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1hky h LEU 40 CO 0.06 -0.29 -0.01 0.00 -0.13 0.00 0.00 178.44 178.07 1hky h GLU 42 N 0.00 0.00 0.00 0.00 5.08 -1.10 -1.99 114.58 116.56 1hky h GLU 42 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hky h GLU 42 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1hky h GLU 42 CO 0.00 0.31 0.00 1.57 -1.00 0.00 0.00 179.01 179.89 1hky h LYS 43 N 0.00 0.00 -6.17 2.33 5.09 -0.92 -3.45 116.57 113.46 1hky h LYS 43 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 60.65 60.13 1hky h LYS 43 Cb 0.58 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 32.83 1hky h LYS 43 CO 0.04 0.00 -0.57 0.34 -2.09 0.00 0.00 179.45 177.17 1hky s ASP 44 N -5.19 5.60 -0.01 7.07 -1.08 -0.75 -5.02 116.67 117.29 1hky s ASP 44 Ca 0.07 -0.05 0.19 0.00 -0.52 0.00 0.00 52.55 52.25 1hky s ASP 44 Cb 0.09 -1.50 -0.26 0.00 -1.46 0.00 0.00 42.92 39.79 1hky s ASP 44 CO 0.59 0.12 0.61 0.00 0.52 0.00 0.00 175.17 177.00 1hky n ALA 45 N 0.03 3.56 1.78 3.66 0.00 -1.26 -4.22 120.51 124.05 1hky n ALA 45 Ca -0.08 -0.50 0.05 0.00 0.00 0.00 0.00 53.44 52.91 1hky n ALA 45 Cb 0.53 -0.67 0.26 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.82 1.18 -3.85 0.00 5.02 -1.26 -4.82 118.16 112.60 1hky n LYS 46 Ca -0.00 -0.28 -0.35 0.00 -2.02 0.00 0.00 58.31 55.66 1hky n LYS 46 Cb 0.40 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 34.18 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 1.35 0.00 -3.59 0.00 5.12 -1.22 -4.91 116.66 113.41 1hky n ARG 48 Ca -0.14 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.50 1hky n ARG 48 Cb 0.53 -0.26 -0.12 0.00 -1.16 0.00 0.00 32.46 31.46 1hky n ARG 48 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1hky s PHE 49 N -1.00 1.74 0.78 -1.55 0.08 -0.62 -4.41 117.98 113.01 1hky s PHE 49 Ca 0.00 -2.43 -0.12 0.00 0.12 0.00 0.00 56.93 54.50 1hky s PHE 49 Cb 0.00 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 41.00 1hky s PHE 49 CO 0.00 -0.76 1.13 -0.59 -0.10 0.00 0.00 175.22 174.90 1hky s PHE 50 N 0.02 2.23 -0.31 0.36 -0.71 -1.17 -2.01 117.98 116.39 1hky s PHE 50 Ca 0.25 1.63 0.06 0.00 -1.04 0.00 0.00 56.93 57.82 1hky s PHE 50 Cb -0.10 -3.22 0.19 0.00 -1.21 0.00 0.00 43.02 38.68 1hky s PHE 50 CO -0.10 -2.19 0.56 0.99 -1.34 0.00 0.00 175.22 173.14 1hky s THR 51 N -2.58 -0.93 0.09 -4.49 2.01 0.19 -2.36 115.64 107.57 1hky s THR 51 Ca 0.66 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 1hky s THR 51 Cb -0.21 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 1hky s THR 51 CO 0.52 -0.05 0.30 -0.22 -0.69 0.00 0.00 174.62 174.48 1hky s LEU 52 N 2.64 4.31 -0.34 4.42 2.96 -0.00 -0.45 118.68 132.22 1hky s LEU 52 Ca 0.11 0.48 0.06 0.00 -0.22 0.00 0.00 54.13 54.56 1hky s LEU 52 Cb -0.10 -3.09 0.46 0.00 0.50 0.00 0.00 46.19 43.96 1hky s LEU 52 CO -0.24 0.12 1.38 0.00 -1.32 0.00 0.00 176.35 176.29 1hky n ALA 53 N 0.32 4.93 -0.43 5.97 0.00 -0.32 0.09 120.51 131.08 1hky n ALA 53 Ca -0.05 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1hky n ALA 53 Cb 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1hky n ALA 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hky n SER 54 N -0.88 0.00 0.00 0.00 2.88 -1.25 -4.29 113.62 110.08 1hky n SER 54 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1hky n SER 54 Cb 0.90 -1.68 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1hky n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hky n GLY 55 N -2.00 0.77 3.56 0.46 0.00 -1.21 -4.51 105.19 102.26 1hky n GLY 55 Ca 0.00 0.00 -0.02 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 0.00 0.55 0.35 1.61 2.20 -1.16 -3.83 119.74 119.45 1hky s LYS 56 Ca 0.00 1.36 -0.13 0.00 -0.36 0.00 0.00 55.97 56.84 1hky s LYS 56 Cb 0.00 0.78 -0.08 0.00 -1.51 0.00 0.00 37.83 37.01 1hky s LYS 56 CO 0.00 -0.24 0.74 0.00 -0.36 0.00 0.00 175.35 175.48 1hky s SER 58 N -2.57 0.24 -0.16 0.00 0.01 0.40 -1.05 113.70 110.58 1hky s SER 58 Ca 0.53 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.98 1hky s SER 58 Cb -0.10 1.09 -0.05 0.00 0.21 0.00 0.00 66.02 67.17 1hky s SER 58 CO 0.22 -0.29 0.22 -1.48 0.41 0.00 0.00 173.24 172.33 1hky s LEU 59 N 2.54 4.26 -0.16 2.44 2.34 -0.06 0.53 118.68 130.58 1hky s LEU 59 Ca 0.10 0.43 0.01 0.00 0.06 0.00 0.00 54.13 54.74 1hky s LEU 59 Cb -0.15 -2.25 0.01 0.00 -0.56 0.00 0.00 46.19 43.24 1hky s LEU 59 CO -0.15 0.18 -0.19 -0.36 -1.06 0.00 0.00 176.35 174.76 1hky s PHE 60 N 0.17 2.73 0.27 3.48 0.40 -0.85 -2.36 117.98 121.82 1hky s PHE 60 Ca 0.14 -1.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.12 1hky s PHE 60 Cb -0.12 -1.87 0.36 0.00 0.51 0.00 0.00 43.02 41.90 1hky s PHE 60 CO 0.02 -0.62 1.84 0.00 0.70 0.00 0.00 175.22 177.17 1hky h ALA 61 N 7.49 1.22 -2.90 5.36 0.00 -1.87 -1.64 119.26 126.91 1hky h ALA 61 Ca -0.36 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1hky h ALA 61 Cb 1.18 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1hky h ALA 61 CO 0.58 0.57 0.26 0.34 0.00 0.00 0.00 179.25 180.99 1hky s ASP 62 N -6.48 -0.40 -0.11 0.00 2.15 -1.26 -4.61 116.67 105.96 1hky s ASP 62 Ca -0.11 -0.27 -0.30 0.00 0.43 0.00 0.00 52.55 52.31 1hky s ASP 62 Cb 0.16 0.63 -0.02 0.00 -0.30 0.00 0.00 42.92 43.39 1hky s ASP 62 CO 0.81 -1.09 1.10 -0.62 -0.17 0.00 0.00 175.17 175.20 1hky s ASP 63 N -2.81 7.14 0.00 -0.34 -1.08 -1.26 -4.82 116.67 113.49 1hky s ASP 63 Ca 0.06 1.62 0.00 0.00 -0.52 0.00 0.00 52.55 53.72 1hky s ASP 63 Cb -0.03 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1hky s ASP 63 CO -0.04 -0.55 0.00 0.00 0.52 0.00 0.00 175.17 175.11 1hky n ALA 64 N 5.37 1.57 -1.22 3.66 0.00 -1.26 -4.97 120.51 123.67 1hky n ALA 64 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1hky n ALA 64 Cb 0.47 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.20 0.00 -1.91 0.00 0.00 -1.26 -5.05 120.51 111.09 1hky n ALA 65 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1hky n ALA 65 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 4.40 0.15 0.00 0.05 -1.26 -2.68 118.68 119.33 1hky s LEU 66 Ca 0.00 2.58 -0.14 0.00 0.05 0.00 0.00 54.13 56.62 1hky s LEU 66 Cb 0.00 -3.62 0.02 0.00 -2.05 0.00 0.00 46.19 40.54 1hky s LEU 66 CO 0.00 -0.63 0.38 -0.13 -0.55 0.00 0.00 176.35 175.41 1hky s ARG 67 N -0.36 1.14 0.75 1.48 0.52 -0.15 -4.83 118.95 117.50 1hky s ARG 67 Ca 0.58 -0.89 -0.13 0.00 -0.52 0.00 0.00 55.73 54.77 1hky s ARG 67 Cb -0.40 0.44 0.18 0.00 0.52 0.00 0.00 34.95 35.70 1hky s ARG 67 CO 0.42 -0.44 0.74 -0.35 0.02 0.00 0.00 175.30 175.69 1hky n PRO 68 N -0.23 -1.99 0.00 3.54 -0.04 -1.26 -0.15 135.00 134.87 1hky n PRO 68 Ca -0.12 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1hky n PRO 68 Cb 0.63 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -3.81 0.00 -2.76 0.52 5.66 -1.14 -4.69 114.28 108.06 1hky n THR 69 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1hky n THR 69 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 1hky n THR 69 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1hky n LYS 70 N -1.50 0.00 0.00 1.09 4.81 -1.26 -5.04 118.16 116.26 1hky n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1hky n LYS 70 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1hky n LYS 70 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1hky n SER 71 N -0.46 0.00 -2.64 3.14 7.64 -1.25 -1.76 113.62 118.29 1hky n SER 71 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1hky n SER 71 Cb 0.00 -0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1hky n SER 71 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1hky n ASP 72 N -1.82 -4.37 -2.20 6.43 2.03 -1.26 -0.72 116.55 114.63 1hky n ASP 72 Ca 0.00 0.02 -0.16 0.00 0.52 0.00 0.00 54.79 55.17 1hky n ASP 72 Cb 0.00 -3.66 0.02 0.00 -0.72 0.00 0.00 41.12 36.76 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 -0.97 -0.21 0.85 0.27 0.00 -1.26 -4.76 105.19 99.11 1hky n GLY 73 Ca -0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1hky n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hky n ALA 74 N -2.90 -0.39 -3.61 4.61 0.00 0.10 -3.92 120.51 114.40 1hky n ALA 74 Ca -0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.87 1hky n ALA 74 Cb 0.60 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1hky n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hky s VAL 75 N -1.62 0.00 -0.21 0.00 0.11 0.11 -0.58 120.40 118.22 1hky s VAL 75 Ca 0.17 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1hky s VAL 75 Cb -0.01 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1hky s VAL 75 CO 0.12 0.00 0.53 -0.94 -3.33 0.00 0.00 175.10 171.47 1hky s SER 76 N -0.40 -0.62 0.23 3.54 1.04 -0.75 -0.82 113.70 115.92 1hky s SER 76 Ca 0.02 1.10 -0.01 0.00 0.48 0.00 0.00 55.95 57.55 1hky s SER 76 Cb -0.03 1.05 -0.03 0.00 0.10 0.00 0.00 66.02 67.11 1hky s SER 76 CO -0.04 -0.20 0.19 -0.83 0.98 0.00 0.00 173.24 173.34 1hky s GLY 77 N 0.88 1.51 -0.01 7.32 0.00 -0.99 -1.61 107.32 114.41 1hky s GLY 77 Ca -0.05 -1.69 0.18 0.00 0.00 0.00 0.00 44.72 43.16 1hky s GLY 77 CO -0.07 -1.34 0.57 1.16 0.00 0.00 0.00 173.10 173.41 1hky n ASN 78 N -0.51 0.83 -3.68 1.64 0.23 -1.25 -3.06 115.26 109.46 1hky n ASN 78 Ca 0.03 -0.44 -0.23 0.00 -0.53 0.00 0.00 54.58 53.40 1hky n ASN 78 Cb 0.65 1.43 0.05 0.00 -2.08 0.00 0.00 39.78 39.84 1hky n ASN 78 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1hky n LYS 79 N -1.79 -6.12 0.00 -3.83 5.02 -1.26 -4.63 118.16 105.55 1hky n LYS 79 Ca -0.00 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1hky n LYS 79 Cb 0.38 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 1hky n LYS 79 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1hky n ARG 80 N -4.52 0.00 -2.86 1.97 0.63 -1.26 -5.10 116.66 105.53 1hky n ARG 80 Ca -0.14 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.76 1hky n ARG 80 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1hky n ARG 80 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hky s ILE 82 N -1.70 2.29 0.00 0.00 1.10 -1.26 -4.82 121.20 116.81 1hky s ILE 82 Ca 0.06 0.29 0.00 0.00 -0.51 0.00 0.00 60.65 60.49 1hky s ILE 82 Cb -0.01 -3.18 0.00 0.00 0.15 0.00 0.00 42.46 39.41 1hky s ILE 82 CO 0.66 0.07 0.00 -0.11 -2.11 0.00 0.00 174.94 173.44 1hky n LEU 83 N 0.51 0.00 -4.84 8.50 0.00 -1.26 -5.13 117.00 114.78 1hky n LEU 83 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.74 1hky n LEU 83 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.77 1hky n LEU 83 CO 0.62 0.00 -0.19 -0.76 0.00 0.00 0.00 177.39 177.05 1hky s LEU 84 N -0.78 4.00 0.00 -1.96 1.43 -1.26 -5.01 118.68 115.09 1hky s LEU 84 Ca 0.00 0.02 0.20 0.00 -1.03 0.00 0.00 54.13 53.33 1hky s LEU 84 Cb 0.00 -2.62 -0.13 0.00 0.03 0.00 0.00 46.19 43.47 1hky s LEU 84 CO 0.00 0.10 0.93 -0.62 0.23 0.00 0.00 176.35 176.99 1hky n GLU 85 N -0.11 0.82 0.00 1.70 1.02 -1.26 -5.24 120.64 117.57 1hky n GLU 85 Ca -0.08 -0.41 0.07 0.00 -0.02 0.00 0.00 57.16 56.72 1hky n GLU 85 Cb 0.53 -1.44 0.40 0.00 -0.02 0.00 0.00 31.44 30.91 1hky n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06