#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 -2.60 0.03 2.11 0.18 -1.26 -5.09 117.16 110.54 1hky n TYR 2 Ca 0.00 -1.41 -0.00 0.00 1.88 0.00 0.00 57.90 58.36 1hky n TYR 2 Cb 0.00 -0.39 -0.00 0.00 -0.38 0.00 0.00 39.34 38.57 1hky n TYR 2 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1hky n LYS 3 N -1.92 0.01 0.00 -3.48 5.02 -1.26 -5.10 118.16 111.42 1hky n LYS 3 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1hky n LYS 3 Cb 0.41 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 1hky n LYS 3 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1hky n ASP 4 N -3.25 0.00 -3.30 4.39 2.03 -1.26 -5.16 116.55 110.00 1hky n ASP 4 Ca -0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1hky n ASP 4 Cb 0.01 0.04 0.04 0.00 -0.72 0.00 0.00 41.12 40.49 1hky n ASP 4 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hky n ASP 5 N -1.22 0.84 0.00 1.67 9.92 -1.26 -5.10 116.55 121.40 1hky n ASP 5 Ca 0.00 -1.64 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 1hky n ASP 5 Cb 0.00 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 1hky n ASP 5 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1hky n ASP 6 N -2.80 0.00 -4.70 -2.24 8.00 -1.26 -4.99 116.55 108.56 1hky n ASP 6 Ca 0.08 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 1hky n ASP 6 Cb 0.28 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 1hky n ASP 6 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hky s ASP 7 N -2.25 6.79 0.57 -2.24 2.15 -1.26 -5.02 116.67 115.41 1hky s ASP 7 Ca 0.00 2.27 -0.00 0.00 0.43 0.00 0.00 52.55 55.25 1hky s ASP 7 Cb 0.00 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1hky s ASP 7 CO 0.00 -0.73 0.81 -0.54 -0.17 0.00 0.00 175.17 174.53 1hky s LYS 8 N 1.98 2.56 0.40 4.34 -0.14 -1.26 -5.11 119.74 122.52 1hky s LYS 8 Ca 0.66 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 54.64 1hky s LYS 8 Cb -0.35 -2.44 -0.01 0.00 -1.68 0.00 0.00 37.83 33.35 1hky s LYS 8 CO 0.29 -0.75 0.61 0.14 -0.76 0.00 0.00 175.35 174.88 1hky s VAL 9 N -2.83 4.39 0.00 3.17 -7.23 -1.26 -5.11 120.40 111.54 1hky s VAL 9 Ca 0.57 -0.54 0.06 0.00 -1.81 0.00 0.00 61.98 60.26 1hky s VAL 9 Cb -0.10 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 1hky s VAL 9 CO 0.40 -0.39 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.05 1hky s LYS 10 N -4.43 1.54 0.00 4.82 1.02 -1.26 -5.01 119.74 116.42 1hky s LYS 10 Ca 0.45 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.71 1hky s LYS 10 Cb -0.10 -1.54 0.08 0.00 -0.52 0.00 0.00 37.83 35.76 1hky s LYS 10 CO 0.37 0.41 0.92 1.47 -0.92 0.00 0.00 175.35 177.60 1hky n LEU 11 N 2.35 0.10 0.15 3.17 -0.00 -1.26 -4.87 117.00 116.65 1hky n LEU 11 Ca -0.16 -1.29 0.13 0.00 -0.00 0.00 0.00 56.01 54.69 1hky n LEU 11 Cb 0.53 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.46 1hky n LEU 11 CO 0.23 0.58 0.88 0.74 -0.00 0.00 0.00 177.39 179.82 1hky h THR 12 N 6.36 0.00 -2.90 1.47 2.02 -2.01 -3.39 112.91 114.47 1hky h THR 12 Ca -0.10 -0.29 -0.70 0.00 0.77 0.00 0.00 66.41 66.09 1hky h THR 12 Cb 1.41 1.08 -0.20 0.00 -1.74 0.00 0.00 68.15 68.70 1hky h THR 12 CO -0.01 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.16 1hky n TYR 14 N 6.21 -0.45 -3.55 0.00 4.11 -1.26 -4.98 117.16 117.24 1hky n TYR 14 Ca -0.00 -0.49 -0.11 0.00 -0.00 0.00 0.00 57.90 57.30 1hky n TYR 14 Cb 0.44 0.09 -0.03 0.00 -0.00 0.00 0.00 39.34 39.84 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 -2.20 1.23 2.22 -3.48 -0.21 0.28 -4.92 119.66 112.59 1hky s GLN 15 Ca 0.06 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.82 1hky s GLN 15 Cb 0.00 0.54 0.00 0.00 1.00 0.00 0.00 33.01 34.55 1hky s GLN 15 CO 0.05 -0.52 0.00 -1.71 -2.12 0.00 0.00 175.29 170.99 1hky n ASN 16 N -0.32 -2.45 0.00 5.90 2.85 -1.26 -1.88 115.26 118.10 1hky n ASN 16 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1hky n ASN 16 Cb 0.64 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.66 1hky n ASN 16 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hky n GLY 17 N 0.00 0.65 3.28 8.20 0.00 -1.26 -4.70 105.19 111.37 1hky n GLY 17 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 1.00 0.92 1.61 -7.23 -1.23 -3.14 120.40 112.33 1hky s VAL 18 Ca 0.00 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 1hky s VAL 18 Cb 0.00 -2.12 0.15 0.00 0.56 0.00 0.00 36.38 34.96 1hky s VAL 18 CO 0.00 -0.50 1.11 -0.55 -0.31 0.00 0.00 175.10 174.84 1hky s SER 19 N -3.23 3.02 0.03 4.85 0.15 -1.26 -4.75 113.70 112.52 1hky s SER 19 Ca 0.23 1.90 0.04 0.00 0.70 0.00 0.00 55.95 58.82 1hky s SER 19 Cb 0.05 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1hky s SER 19 CO 0.05 -2.99 -0.04 -0.36 1.20 0.00 0.00 173.24 171.10 1hky s PHE 20 N -2.72 2.94 0.09 3.44 0.08 -1.26 -3.15 117.98 117.41 1hky s PHE 20 Ca 0.65 -0.02 -0.08 0.00 0.12 0.00 0.00 56.93 57.61 1hky s PHE 20 Cb -0.21 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1hky s PHE 20 CO 0.58 0.43 0.18 0.95 -0.10 0.00 0.00 175.22 177.26 1hky s THR 21 N -1.12 0.14 0.00 0.64 -4.23 -0.21 -4.86 115.64 106.00 1hky s THR 21 Ca 0.20 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1hky s THR 21 Cb -0.11 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1hky s THR 21 CO 0.12 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1hky n GLY 22 N -0.06 2.83 3.92 3.99 0.00 -1.26 -1.24 105.19 113.38 1hky n GLY 22 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.82 1.51 -1.23 -0.02 0.00 -1.25 -4.41 107.32 100.09 1hky s GLY 23 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 43.93 1hky s GLY 23 CO 0.00 -0.51 1.69 0.28 0.00 0.00 0.00 173.10 174.56 1hky n LYS 24 N -2.24 3.68 -1.66 2.90 4.76 -1.26 -4.89 118.16 119.46 1hky n LYS 24 Ca 0.01 -3.78 -0.47 0.00 -2.87 0.00 0.00 58.31 51.20 1hky n LYS 24 Cb 0.56 -2.88 -0.04 0.00 -1.84 0.00 0.00 35.03 30.83 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 3.84 1.02 0.19 7.82 0.00 -1.26 -4.76 120.51 127.36 1hky n ALA 25 Ca 0.37 0.46 0.09 0.00 0.00 0.00 0.00 53.44 54.35 1hky n ALA 25 Cb 0.37 -2.31 0.12 0.00 0.00 0.00 0.00 19.45 17.64 1hky n ALA 25 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1hky h ILE 26 N 3.58 0.27 -1.31 0.00 -0.00 -1.80 -3.47 117.51 114.78 1hky h ILE 26 Ca -0.45 -1.39 0.18 0.00 -0.00 0.00 0.00 64.86 63.20 1hky h ILE 26 Cb 1.27 2.13 -0.25 0.00 -0.00 0.00 0.00 36.82 39.97 1hky h ILE 26 CO 0.87 0.16 0.77 -0.55 -0.00 0.00 0.00 178.15 179.40 1hky s SER 27 N -6.29 -0.18 -0.02 2.16 0.15 -1.18 -5.05 113.70 103.30 1hky s SER 27 Ca 0.06 0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1hky s SER 27 Cb 0.06 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1hky s SER 27 CO 0.69 -0.18 0.04 -1.61 1.20 0.00 0.00 173.24 173.38 1hky s GLU 28 N -1.21 0.06 -0.21 5.44 2.02 -1.26 -0.74 118.70 122.80 1hky s GLU 28 Ca 0.05 0.04 -0.00 0.00 0.02 0.00 0.00 54.97 55.07 1hky s GLU 28 Cb -0.01 0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.30 1hky s GLU 28 CO -0.04 -0.01 -0.04 0.00 0.02 0.00 0.00 175.26 175.20 1hky s ALA 29 N -0.02 1.62 -0.97 5.21 0.00 -0.72 -4.94 121.76 121.94 1hky s ALA 29 Ca -0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 1hky s ALA 29 Cb -0.01 -1.29 -0.13 0.00 0.00 0.00 0.00 23.12 21.70 1hky s ALA 29 CO 0.00 -1.06 2.12 0.21 0.00 0.00 0.00 175.76 177.03 1hky s LYS 30 N 1.56 1.92 0.08 0.00 2.20 -1.26 -0.75 119.74 123.49 1hky s LYS 30 Ca -0.03 -0.29 0.09 0.00 -0.36 0.00 0.00 55.97 55.38 1hky s LYS 30 Cb -0.17 -5.00 -0.03 0.00 -1.51 0.00 0.00 37.83 31.11 1hky s LYS 30 CO -0.07 -4.35 -0.22 0.00 -0.36 0.00 0.00 175.35 170.35 1hky s ALA 31 N 13.39 2.50 -2.16 3.13 0.00 -1.24 -4.88 121.76 132.51 1hky s ALA 31 Ca 0.79 -1.31 0.21 0.00 0.00 0.00 0.00 51.96 51.65 1hky s ALA 31 Cb -0.07 -0.59 0.98 0.00 0.00 0.00 0.00 23.12 23.45 1hky s ALA 31 CO 0.09 0.56 1.67 0.00 0.00 0.00 0.00 175.76 178.08 1hky n ALA 32 N 1.28 2.57 -3.57 0.00 0.00 -1.26 -3.30 120.51 116.22 1hky n ALA 32 Ca -0.17 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1hky n ALA 32 Cb 0.52 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.63 -0.51 0.50 0.00 0.01 -1.26 -4.91 113.70 105.90 1hky s SER 33 Ca 0.32 0.91 0.15 0.00 1.31 0.00 0.00 55.95 58.64 1hky s SER 33 Cb 0.16 0.83 1.19 0.00 0.21 0.00 0.00 66.02 68.42 1hky s SER 33 CO 0.25 -0.18 2.12 -1.28 0.41 0.00 0.00 173.24 174.56 1hky h SER 34 N 6.57 0.10 -0.96 2.44 0.87 -1.91 -1.43 113.55 119.24 1hky h SER 34 Ca -0.33 -0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.41 1hky h SER 34 Cb 1.18 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 63.03 1hky h SER 34 CO 0.27 0.07 0.61 -0.61 -0.53 0.00 0.00 176.83 176.64 1hky h GLN 35 N 0.12 0.63 0.00 2.24 5.75 -1.99 0.70 115.11 122.56 1hky h GLN 35 Ca 0.06 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.40 1hky h GLN 35 Cb 0.08 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1hky h GLN 35 CO -0.01 0.41 -0.56 0.00 -2.65 0.00 0.00 178.83 176.02 1hky h ALA 36 N 1.62 0.82 0.00 3.38 0.00 -1.68 -2.67 119.26 120.72 1hky h ALA 36 Ca 0.52 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1hky h ALA 36 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1hky h ALA 36 CO -0.28 0.71 -0.53 0.00 0.00 0.00 0.00 179.25 179.15 1hky h GLN 38 N 0.00 0.58 -0.32 0.00 1.08 -0.49 -1.83 115.11 114.14 1hky h GLN 38 Ca -0.01 -0.75 -0.10 0.00 -1.45 0.00 0.00 58.65 56.35 1hky h GLN 38 Cb 1.19 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.84 1hky h GLN 38 CO 0.07 1.33 -0.20 0.93 -0.95 0.00 0.00 178.83 180.00 1hky h GLU 39 N 0.19 0.60 -0.03 1.46 4.39 -1.48 -0.65 114.58 119.05 1hky h GLU 39 Ca -0.16 -0.22 -0.25 0.00 0.34 0.00 0.00 59.36 59.07 1hky h GLU 39 Cb 1.79 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.41 1hky h GLU 39 CO 0.21 0.77 -0.96 1.25 -1.16 0.00 0.00 179.01 179.12 1hky h LEU 40 N 0.53 0.80 -1.19 1.33 6.46 -1.51 -3.16 115.31 118.58 1hky h LEU 40 Ca 0.08 -0.61 -0.08 0.00 -0.12 0.00 0.00 57.88 57.14 1hky h LEU 40 Cb 0.65 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1hky h LEU 40 CO 0.05 1.41 -0.40 0.00 -0.62 0.00 0.00 178.44 178.88 1hky h GLU 42 N 0.00 0.51 0.00 0.00 5.08 -1.08 -1.68 114.58 117.41 1hky h GLU 42 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1hky h GLU 42 Cb 0.73 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1hky h GLU 42 CO 0.05 0.58 0.00 1.57 -1.00 0.00 0.00 179.01 180.21 1hky h LYS 43 N 0.48 0.00 -5.08 2.33 5.09 -1.49 -3.42 116.57 114.48 1hky h LYS 43 Ca 0.10 0.00 -0.64 0.00 0.09 0.00 0.00 60.65 60.20 1hky h LYS 43 Cb 0.39 0.00 -0.20 0.00 0.10 0.00 0.00 32.23 32.53 1hky h LYS 43 CO 0.02 0.00 -0.60 0.34 -2.09 0.00 0.00 179.45 177.12 1hky s ASP 44 N -4.79 5.34 -0.03 7.07 2.15 -0.63 -4.97 116.67 120.82 1hky s ASP 44 Ca 0.06 -0.09 0.04 0.00 0.43 0.00 0.00 52.55 52.99 1hky s ASP 44 Cb 0.10 -1.94 0.18 0.00 -0.30 0.00 0.00 42.92 40.95 1hky s ASP 44 CO 0.51 0.05 0.93 0.00 -0.17 0.00 0.00 175.17 176.49 1hky n ALA 45 N 4.36 2.68 -0.07 3.66 0.00 -1.26 -3.26 120.51 126.62 1hky n ALA 45 Ca -0.16 -0.39 0.03 0.00 0.00 0.00 0.00 53.44 52.92 1hky n ALA 45 Cb 0.52 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 19.04 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 0.09 2.69 -4.48 0.00 4.76 -1.26 -4.98 118.16 114.98 1hky n LYS 46 Ca 0.06 -1.74 -0.34 0.00 -2.87 0.00 0.00 58.31 53.42 1hky n LYS 46 Cb 0.34 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.25 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 3.65 0.36 -3.71 0.00 3.00 -0.54 -4.94 116.66 114.49 1hky n ARG 48 Ca -0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.37 1hky n ARG 48 Cb 0.52 -0.72 -0.12 0.00 0.00 0.00 0.00 32.46 32.13 1hky n ARG 48 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1hky s PHE 49 N -1.45 2.16 1.01 -1.55 0.08 -0.45 -2.84 117.98 114.95 1hky s PHE 49 Ca 0.00 -2.59 -0.12 0.00 0.12 0.00 0.00 56.93 54.34 1hky s PHE 49 Cb 0.00 -1.92 0.19 0.00 -0.57 0.00 0.00 43.02 40.72 1hky s PHE 49 CO 0.00 -0.75 1.08 -0.59 -0.10 0.00 0.00 175.22 174.86 1hky s PHE 50 N -0.00 1.95 -0.41 0.36 -0.71 -0.30 -2.23 117.98 116.65 1hky s PHE 50 Ca 0.21 1.15 0.07 0.00 -1.04 0.00 0.00 56.93 57.32 1hky s PHE 50 Cb -0.17 -3.20 0.18 0.00 -1.21 0.00 0.00 43.02 38.61 1hky s PHE 50 CO -0.05 -3.00 0.59 0.99 -1.34 0.00 0.00 175.22 172.41 1hky s THR 51 N -2.82 -0.88 0.37 -4.49 2.01 0.44 -2.22 115.64 108.06 1hky s THR 51 Ca 0.66 -0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 1hky s THR 51 Cb -0.20 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 1hky s THR 51 CO 0.59 -0.11 0.67 -0.22 -0.69 0.00 0.00 174.62 174.86 1hky s LEU 52 N 1.73 3.89 0.00 4.42 2.96 -0.12 -0.06 118.68 131.49 1hky s LEU 52 Ca 0.17 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1hky s LEU 52 Cb -0.06 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1hky s LEU 52 CO -0.06 -0.35 0.00 0.00 -1.32 0.00 0.00 176.35 174.61 1hky n ALA 53 N -1.45 0.00 0.27 5.97 0.00 0.11 -0.51 120.51 124.90 1hky n ALA 53 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.61 1hky n ALA 53 Cb 0.54 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.86 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 -1.92 -3.32 113.55 109.18 1hky h SER 54 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1hky h SER 54 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1hky h SER 54 CO 0.00 0.00 -0.06 0.61 -0.53 0.00 0.00 176.83 176.85 1hky n GLY 55 N -1.28 -0.32 3.25 5.77 0.00 -1.26 -4.83 105.19 106.52 1hky n GLY 55 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 0.42 0.29 1.61 2.20 -1.21 -3.59 119.74 119.46 1hky s LYS 56 Ca 0.00 1.01 -0.08 0.00 -0.36 0.00 0.00 55.97 56.55 1hky s LYS 56 Cb 0.02 0.30 -0.06 0.00 -1.51 0.00 0.00 37.83 36.58 1hky s LYS 56 CO -0.01 -0.39 0.59 0.00 -0.36 0.00 0.00 175.35 175.19 1hky s SER 58 N -2.84 1.46 -0.13 0.00 0.01 0.91 -1.75 113.70 111.35 1hky s SER 58 Ca 0.47 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 57.04 1hky s SER 58 Cb -0.11 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 1hky s SER 58 CO 0.27 -0.36 0.47 -1.48 0.41 0.00 0.00 173.24 172.55 1hky s LEU 59 N 2.37 4.25 -0.04 2.44 2.34 0.08 0.17 118.68 130.29 1hky s LEU 59 Ca 0.09 0.77 0.05 0.00 0.06 0.00 0.00 54.13 55.11 1hky s LEU 59 Cb -0.15 -2.68 -0.02 0.00 -0.56 0.00 0.00 46.19 42.78 1hky s LEU 59 CO -0.25 -0.02 -0.19 -0.36 -1.06 0.00 0.00 176.35 174.47 1hky s PHE 60 N 0.78 2.56 0.00 3.48 0.40 -0.94 -2.36 117.98 121.90 1hky s PHE 60 Ca 0.25 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1hky s PHE 60 Cb -0.15 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.80 1hky s PHE 60 CO 0.10 0.10 0.01 0.00 0.70 0.00 0.00 175.22 176.13 1hky n ALA 61 N 2.36 0.00 -2.04 5.36 0.00 -1.16 -1.34 120.51 123.69 1hky n ALA 61 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1hky n ALA 61 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 1hky n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hky s ASP 62 N -1.04 5.56 -0.55 0.00 -1.08 -1.26 -4.35 116.67 113.95 1hky s ASP 62 Ca 0.00 -0.48 -0.27 0.00 -0.52 0.00 0.00 52.55 51.28 1hky s ASP 62 Cb 0.00 -0.62 0.03 0.00 -1.46 0.00 0.00 42.92 40.87 1hky s ASP 62 CO 0.00 -0.76 1.10 -0.62 0.52 0.00 0.00 175.17 175.40 1hky s ASP 63 N -4.33 6.44 0.00 -0.34 2.15 -1.26 -4.89 116.67 114.45 1hky s ASP 63 Ca 0.54 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.55 1hky s ASP 63 Cb -0.09 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1hky s ASP 63 CO 0.32 -1.35 0.00 0.00 -0.17 0.00 0.00 175.17 173.97 1hky n ALA 64 N 8.00 0.12 -1.97 3.66 0.00 -1.26 -5.00 120.51 124.07 1hky n ALA 64 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1hky n ALA 64 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.69 3.27 -2.21 0.00 0.00 -1.26 -5.06 120.51 113.56 1hky n ALA 65 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1hky n ALA 65 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 3.52 0.33 0.00 2.34 -1.26 -3.92 118.68 119.68 1hky s LEU 66 Ca 0.00 0.90 0.08 0.00 0.06 0.00 0.00 54.13 55.17 1hky s LEU 66 Cb 0.00 -3.41 -0.04 0.00 -0.56 0.00 0.00 46.19 42.18 1hky s LEU 66 CO 0.00 -1.63 0.17 -0.13 -1.06 0.00 0.00 176.35 173.70 1hky s ARG 67 N 5.40 2.46 1.24 1.48 0.52 -0.37 -4.86 118.95 124.82 1hky s ARG 67 Ca 0.67 -1.47 -0.18 0.00 -0.52 0.00 0.00 55.73 54.23 1hky s ARG 67 Cb -0.16 -2.25 0.30 0.00 0.52 0.00 0.00 34.95 33.36 1hky s ARG 67 CO 0.31 0.13 1.03 -1.25 0.02 0.00 0.00 175.30 175.55 1hky s PRO 68 N -3.87 -1.52 0.00 3.54 0.04 -1.26 -1.04 135.00 130.88 1hky s PRO 68 Ca 0.38 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1hky s PRO 68 Cb -0.04 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1hky s PRO 68 CO 0.23 -3.97 0.08 -2.37 0.04 0.00 0.00 177.00 171.01 1hky n THR 69 N -5.00 0.00 -1.70 1.26 5.66 -1.19 -4.59 114.28 108.73 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 0.58 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1hky n THR 69 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1hky n LYS 70 N 0.00 -4.41 -0.82 1.09 5.02 -1.26 -4.95 118.16 112.83 1hky n LYS 70 Ca 0.00 3.22 0.00 0.00 -2.02 0.00 0.00 58.31 59.51 1hky n LYS 70 Cb 0.50 -3.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.13 1hky n LYS 70 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hky n SER 71 N 1.28 1.17 -0.03 4.39 2.88 -1.26 -4.70 113.62 117.34 1hky n SER 71 Ca 0.00 -0.41 -0.03 0.00 -1.33 0.00 0.00 58.87 57.10 1hky n SER 71 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1hky n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1hky n ASP 72 N -0.75 3.30 -0.82 -3.46 -0.08 -1.26 -4.88 116.55 108.59 1hky n ASP 72 Ca 0.00 -0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1hky n ASP 72 Cb 0.00 0.66 -0.04 0.00 2.34 0.00 0.00 41.12 44.08 1hky n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1hky n GLY 73 N 2.58 0.10 3.77 0.27 0.00 -1.26 -5.10 105.19 105.56 1hky n GLY 73 Ca -0.11 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.05 -0.06 4.61 0.00 -1.19 -4.60 121.76 123.58 1hky s ALA 74 Ca 0.00 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1hky s ALA 74 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1hky s ALA 74 CO -0.00 -0.49 -0.10 0.14 0.00 0.00 0.00 175.76 175.31 1hky s VAL 75 N -1.55 0.95 0.50 0.00 -7.23 0.34 -3.52 120.40 109.88 1hky s VAL 75 Ca 0.60 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.42 1hky s VAL 75 Cb -0.27 -0.89 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 1hky s VAL 75 CO 0.33 0.32 0.03 -1.20 -0.31 0.00 0.00 175.10 174.27 1hky n SER 76 N 3.91 2.95 0.00 4.85 7.64 -0.79 -0.95 113.62 131.24 1hky n SER 76 Ca -0.23 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1hky n SER 76 Cb 0.51 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1hky n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hky n GLY 77 N -1.14 -0.15 3.71 0.23 0.00 -0.94 -0.55 105.19 106.35 1hky n GLY 77 Ca -0.18 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 1hky n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hky s ASN 78 N -4.00 4.31 -0.23 1.61 2.20 -1.26 -1.14 114.94 116.42 1hky s ASN 78 Ca 0.00 -1.13 0.08 0.00 -0.94 0.00 0.00 52.86 50.87 1hky s ASN 78 Cb 0.00 -0.47 0.58 0.00 -2.00 0.00 0.00 41.25 39.37 1hky s ASN 78 CO 0.00 -0.52 1.53 2.29 -2.94 0.00 0.00 177.10 177.46 1hky n LYS 79 N -1.18 3.29 -1.19 3.55 2.85 -1.13 -4.32 118.16 120.03 1hky n LYS 79 Ca -0.02 -2.35 -0.25 0.00 -1.05 0.00 0.00 58.31 54.65 1hky n LYS 79 Cb 0.65 -2.02 0.15 0.00 -0.65 0.00 0.00 35.03 33.16 1hky n LYS 79 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1hky n ARG 80 N 0.07 2.27 -1.80 -1.58 3.00 -1.26 -4.17 116.66 113.18 1hky n ARG 80 Ca 0.29 -2.91 0.01 0.00 -0.00 0.00 0.00 57.85 55.24 1hky n ARG 80 Cb 1.11 -2.14 0.02 0.00 0.00 0.00 0.00 32.46 31.45 1hky n ARG 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hky n ILE 82 N 0.01 0.81 -1.20 0.00 -5.35 -1.26 -5.00 119.36 107.37 1hky n ILE 82 Ca -0.01 -0.90 -0.31 0.00 -0.27 0.00 0.00 62.75 61.25 1hky n ILE 82 Cb 0.97 0.67 0.11 0.00 -1.74 0.00 0.00 39.64 39.65 1hky n ILE 82 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1hky s LEU 83 N -1.11 2.86 0.00 7.28 0.20 -1.26 -5.07 118.68 121.58 1hky s LEU 83 Ca 0.37 1.79 0.02 0.00 0.69 0.00 0.00 54.13 56.99 1hky s LEU 83 Cb 0.20 -4.41 -0.01 0.00 -0.43 0.00 0.00 46.19 41.54 1hky s LEU 83 CO 0.26 -2.24 0.08 -0.11 -0.29 0.00 0.00 176.35 174.05 1hky n LEU 84 N -3.65 0.00 -0.88 -0.68 7.94 -1.26 -5.05 117.00 113.42 1hky n LEU 84 Ca 0.09 -1.64 0.08 0.00 -1.11 0.00 0.00 56.01 53.43 1hky n LEU 84 Cb 0.53 0.54 0.20 0.00 0.53 0.00 0.00 43.42 45.23 1hky n LEU 84 CO 0.54 -0.25 0.66 -0.62 -1.11 0.00 0.00 177.39 176.61 1hky n GLU 85 N -0.48 2.66 0.00 1.96 1.02 -1.26 -5.28 120.64 119.25 1hky n GLU 85 Ca -0.03 -2.19 0.16 0.00 -0.02 0.00 0.00 57.16 55.07 1hky n GLU 85 Cb 0.32 -1.37 0.91 0.00 -0.02 0.00 0.00 31.44 31.28 1hky n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06