#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 -3.01 -1.66 1.24 0.18 -1.26 -4.91 117.16 107.74 1hky n TYR 2 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 1hky n TYR 2 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 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 -0.96 2.73 -0.48 -3.48 4.01 -1.26 -4.98 118.16 113.74 1hky n LYS 3 Ca 0.00 0.99 -0.01 0.00 -0.51 0.00 0.00 58.31 58.78 1hky n LYS 3 Cb 0.00 -2.98 0.01 0.00 -0.51 0.00 0.00 35.03 31.55 1hky n LYS 3 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1hky n ASP 4 N 7.68 0.04 -4.96 4.39 9.92 -1.26 -5.10 116.55 127.26 1hky n ASP 4 Ca 0.21 -1.04 -0.22 0.00 -0.53 0.00 0.00 54.79 53.21 1hky n ASP 4 Cb 0.40 -0.04 -0.02 0.00 -0.64 0.00 0.00 41.12 40.81 1hky n ASP 4 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1hky s ASP 5 N -1.22 6.32 0.00 -2.24 1.47 -1.26 -5.08 116.67 114.66 1hky s ASP 5 Ca 0.04 0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.87 1hky s ASP 5 Cb -0.00 -1.88 0.00 0.00 -0.34 0.00 0.00 42.92 40.70 1hky s ASP 5 CO 0.02 -0.06 0.00 -0.67 0.68 0.00 0.00 175.17 175.15 1hky n ASP 6 N -1.28 0.00 -0.01 2.11 2.03 -1.26 -4.95 116.55 113.19 1hky n ASP 6 Ca -0.08 0.04 -0.03 0.00 0.52 0.00 0.00 54.79 55.24 1hky n ASP 6 Cb 0.56 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 1hky n ASP 6 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hky n ASP 7 N -0.60 0.99 -3.40 1.67 9.92 -1.26 -5.07 116.55 118.80 1hky n ASP 7 Ca 0.00 0.15 -0.23 0.00 -0.53 0.00 0.00 54.79 54.17 1hky n ASP 7 Cb 0.00 -0.41 0.18 0.00 -0.64 0.00 0.00 41.12 40.25 1hky n ASP 7 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hky n LYS 8 N -3.45 -1.99 0.00 -1.24 4.01 -1.26 -5.03 118.16 109.20 1hky n LYS 8 Ca -0.04 -1.49 0.00 0.00 -0.51 0.00 0.00 58.31 56.28 1hky n LYS 8 Cb 0.15 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.46 1hky n LYS 8 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1hky n VAL 9 N -3.98 0.00 -4.13 -0.18 0.24 -1.26 -4.81 118.33 104.21 1hky n VAL 9 Ca 0.12 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.16 1hky n VAL 9 Cb 0.46 -0.12 -0.17 0.00 -1.47 0.00 0.00 33.84 32.54 1hky n VAL 9 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1hky s LYS 10 N -0.99 1.68 0.00 7.34 1.02 -1.26 -4.98 119.74 122.56 1hky s LYS 10 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1hky s LYS 10 Cb 0.00 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 1hky s LYS 10 CO 0.00 -0.17 0.00 1.28 -0.92 0.00 0.00 175.35 175.54 1hky n LEU 11 N 4.58 0.00 -4.82 3.17 4.77 -1.26 -5.05 117.00 118.39 1hky n LEU 11 Ca -0.16 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 1hky n LEU 11 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1hky n LEU 11 CO 0.20 0.00 0.70 0.42 -1.33 0.00 0.00 177.39 177.38 1hky s THR 12 N -1.98 4.08 0.00 -5.08 -4.23 -1.26 -4.96 115.64 102.21 1hky s THR 12 Ca 0.00 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1hky s THR 12 Cb 0.00 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1hky s THR 12 CO 0.00 -0.52 0.00 0.00 -0.54 0.00 0.00 174.62 173.56 1hky n TYR 14 N 0.00 0.00 0.01 0.00 4.11 -1.26 -4.54 117.16 115.47 1hky n TYR 14 Ca 0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 57.90 57.93 1hky n TYR 14 Cb 0.14 -0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.41 1hky n TYR 14 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1hky n GLN 15 N -0.02 0.39 0.00 -3.48 6.02 -1.09 -3.49 117.38 115.71 1hky n GLN 15 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1hky n GLN 15 Cb 0.41 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1hky n GLN 15 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1hky n ASN 16 N -1.82 0.00 0.00 1.08 5.15 -1.07 -1.44 115.26 117.16 1hky n ASN 16 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1hky n ASN 16 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 1hky n ASN 16 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hky n GLY 17 N 0.00 1.63 3.62 8.20 0.00 -1.25 -4.97 105.19 112.42 1hky n GLY 17 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1hky n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hky s VAL 18 N -1.74 0.00 0.72 1.61 0.11 -1.13 -4.48 120.40 115.48 1hky s VAL 18 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1hky s VAL 18 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1hky s VAL 18 CO 0.00 0.00 1.09 -0.94 -3.33 0.00 0.00 175.10 171.92 1hky s SER 19 N 0.08 5.33 0.20 3.54 1.04 -0.37 -4.54 113.70 118.98 1hky s SER 19 Ca -0.00 1.21 0.10 0.00 0.48 0.00 0.00 55.95 57.74 1hky s SER 19 Cb -0.04 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1hky s SER 19 CO -0.00 -1.43 -0.11 -0.36 0.98 0.00 0.00 173.24 172.32 1hky s PHE 20 N -3.29 2.57 0.30 5.02 0.08 -1.26 -2.22 117.98 119.18 1hky s PHE 20 Ca 0.58 -0.25 -0.20 0.00 0.12 0.00 0.00 56.93 57.19 1hky s PHE 20 Cb -0.12 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1hky s PHE 20 CO 0.53 0.54 0.75 -0.08 -0.10 0.00 0.00 175.22 176.86 1hky s THR 21 N -1.84 0.00 0.00 0.64 -1.32 0.56 -4.89 115.64 108.79 1hky s THR 21 Ca 0.26 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1hky s THR 21 Cb -0.08 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 1hky s THR 21 CO 0.15 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1hky n GLY 22 N -0.48 1.94 3.59 6.08 0.00 -1.26 -1.04 105.19 114.02 1hky n GLY 22 Ca -0.05 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 1.55 -0.45 -0.02 0.00 -0.52 -4.86 107.32 103.02 1hky s GLY 23 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 1hky s GLY 23 CO 0.00 0.19 0.31 -1.59 0.00 0.00 0.00 173.10 172.02 1hky s LYS 24 N -5.02 2.62 -0.01 2.90 0.00 -1.26 -4.92 119.74 114.04 1hky s LYS 24 Ca 0.68 -1.57 -0.30 0.00 0.00 0.00 0.00 55.97 54.78 1hky s LYS 24 Cb -0.17 -3.89 -0.06 0.00 0.00 0.00 0.00 37.83 33.71 1hky s LYS 24 CO 0.58 -1.06 1.62 0.00 0.00 0.00 0.00 175.35 176.49 1hky s ALA 25 N 1.43 3.63 0.61 0.59 0.00 -1.26 -4.86 121.76 121.90 1hky s ALA 25 Ca 0.04 1.00 0.34 0.00 0.00 0.00 0.00 51.96 53.34 1hky s ALA 25 Cb -0.25 -3.71 1.97 0.00 0.00 0.00 0.00 23.12 21.13 1hky s ALA 25 CO 0.02 -1.25 2.27 -0.84 0.00 0.00 0.00 175.76 175.95 1hky h ILE 26 N 5.28 0.38 -1.67 0.00 -0.00 -1.80 -3.44 117.51 116.26 1hky h ILE 26 Ca -0.40 0.00 0.06 0.00 -0.00 0.00 0.00 64.86 64.52 1hky h ILE 26 Cb 1.18 0.98 -0.22 0.00 -0.00 0.00 0.00 36.82 38.76 1hky h ILE 26 CO 0.94 0.00 0.48 -0.55 -0.00 0.00 0.00 178.15 179.02 1hky s SER 27 N -5.83 -0.42 -0.00 2.16 0.15 -1.22 -5.04 113.70 103.50 1hky s SER 27 Ca -0.05 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.05 1hky s SER 27 Cb 0.14 0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1hky s SER 27 CO 0.51 -0.40 -0.04 -1.61 1.20 0.00 0.00 173.24 172.90 1hky s GLU 28 N -1.21 0.28 -0.38 5.44 2.02 -1.26 -0.71 118.70 122.89 1hky s GLU 28 Ca -0.03 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.86 1hky s GLU 28 Cb -0.00 -0.27 0.11 0.00 0.10 0.00 0.00 34.13 34.06 1hky s GLU 28 CO 0.03 0.07 0.11 0.00 0.02 0.00 0.00 175.26 175.49 1hky s ALA 29 N -0.09 2.77 -0.71 5.21 0.00 0.09 -4.93 121.76 124.09 1hky s ALA 29 Ca 0.01 -2.58 -0.25 0.00 0.00 0.00 0.00 51.96 49.14 1hky s ALA 29 Cb -0.01 -1.96 -0.13 0.00 0.00 0.00 0.00 23.12 21.01 1hky s ALA 29 CO -0.00 -1.77 2.41 1.63 0.00 0.00 0.00 175.76 178.03 1hky n LYS 30 N 4.06 0.66 -4.13 0.00 5.02 -1.26 -0.97 118.16 121.54 1hky n LYS 30 Ca 0.04 -0.50 -0.16 0.00 -2.02 0.00 0.00 58.31 55.66 1hky n LYS 30 Cb 0.40 -3.39 -0.12 0.00 -0.02 0.00 0.00 35.03 31.89 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 12.99 0.86 -2.18 7.82 0.00 -1.25 -4.91 121.76 135.10 1hky s ALA 31 Ca 0.98 -0.85 0.28 0.00 0.00 0.00 0.00 51.96 52.37 1hky s ALA 31 Cb -0.22 -0.04 1.08 0.00 0.00 0.00 0.00 23.12 23.94 1hky s ALA 31 CO 0.18 0.08 1.76 0.00 0.00 0.00 0.00 175.76 177.78 1hky n ALA 32 N 1.46 2.73 -3.21 0.00 0.00 -1.26 -2.34 120.51 117.89 1hky n ALA 32 Ca -0.21 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 1hky n ALA 32 Cb 0.55 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.17 -0.19 0.56 0.00 1.04 -1.26 -4.83 113.70 106.85 1hky s SER 33 Ca 0.35 0.38 0.26 0.00 0.48 0.00 0.00 55.95 57.41 1hky s SER 33 Cb 0.21 0.36 1.53 0.00 0.10 0.00 0.00 66.02 68.21 1hky s SER 33 CO 0.40 -0.08 2.08 0.28 0.98 0.00 0.00 173.24 176.89 1hky h SER 34 N 6.15 0.00 -0.60 7.02 0.02 -1.91 -1.96 113.55 122.26 1hky h SER 34 Ca -0.29 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.77 1hky h SER 34 Cb 1.19 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.65 1hky h SER 34 CO 0.39 0.00 0.17 -0.61 -1.14 0.00 0.00 176.83 175.65 1hky h GLN 35 N 0.00 0.31 0.00 3.45 5.75 -1.99 0.32 115.11 122.95 1hky h GLN 35 Ca 0.12 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 1hky h GLN 35 Cb 0.55 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1hky h GLN 35 CO -0.00 0.21 -0.34 0.00 -2.65 0.00 0.00 178.83 176.05 1hky h ALA 36 N 1.45 1.41 0.00 3.38 0.00 -1.78 -1.85 119.26 121.87 1hky h ALA 36 Ca 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1hky h ALA 36 Cb 0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1hky h ALA 36 CO -0.36 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.23 1hky h GLN 38 N 0.00 0.35 -0.23 0.00 1.08 0.32 -1.63 115.11 115.00 1hky h GLN 38 Ca -0.00 -0.37 -0.17 0.00 -1.45 0.00 0.00 58.65 56.66 1hky h GLN 38 Cb 0.96 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1hky h GLN 38 CO 0.01 1.06 -0.53 0.93 -0.95 0.00 0.00 178.83 179.34 1hky h GLU 39 N -0.20 0.68 0.40 1.46 4.39 -1.50 -2.17 114.58 117.64 1hky h GLU 39 Ca -0.06 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 1hky h GLU 39 Cb 1.23 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1hky h GLU 39 CO 0.10 1.04 -0.19 1.25 -1.16 0.00 0.00 179.01 180.05 1hky h LEU 40 N 0.53 -0.45 -1.78 1.33 7.12 -1.48 -2.81 115.31 117.77 1hky h LEU 40 Ca 0.01 -0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.02 1hky h LEU 40 Cb 1.10 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.32 1hky h LEU 40 CO 0.11 -0.16 0.32 0.00 -0.13 0.00 0.00 178.44 178.58 1hky h GLU 42 N 0.26 0.30 -0.85 0.00 5.08 -1.17 -1.80 114.58 116.40 1hky h GLU 42 Ca 0.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1hky h GLU 42 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1hky h GLU 42 CO -0.04 0.42 0.02 1.63 -1.00 0.00 0.00 179.01 180.03 1hky n LYS 43 N -4.27 2.49 -4.88 2.33 4.76 -0.13 -4.82 118.16 113.63 1hky n LYS 43 Ca -0.00 -1.25 -0.26 0.00 -2.87 0.00 0.00 58.31 53.93 1hky n LYS 43 Cb 0.27 -1.78 -0.16 0.00 -1.84 0.00 0.00 35.03 31.52 1hky n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1hky s ASP 44 N -0.28 2.15 -0.02 4.39 1.11 -0.68 -5.04 116.67 118.31 1hky s ASP 44 Ca 0.22 -0.34 -0.01 0.00 0.18 0.00 0.00 52.55 52.60 1hky s ASP 44 Cb 0.17 -0.30 -0.27 0.00 1.07 0.00 0.00 42.92 43.60 1hky s ASP 44 CO 0.06 0.21 0.75 0.00 1.18 0.00 0.00 175.17 177.37 1hky h ALA 45 N 5.77 0.38 -0.07 5.23 0.00 -1.88 -3.29 119.26 125.40 1hky h ALA 45 Ca -0.37 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.33 1hky h ALA 45 Cb 1.15 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1hky h ALA 45 CO 0.48 1.24 0.00 1.63 0.00 0.00 0.00 179.25 182.60 1hky n LYS 46 N -3.39 1.20 -3.17 0.00 4.76 -1.26 -4.81 118.16 111.49 1hky n LYS 46 Ca -0.19 -0.31 -0.39 0.00 -2.87 0.00 0.00 58.31 54.55 1hky n LYS 46 Cb 1.04 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 33.02 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 3.99 0.00 -3.79 0.00 3.00 -1.25 -4.97 116.66 113.64 1hky n ARG 48 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.47 1hky n ARG 48 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.87 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 -2.00 3.46 0.82 -1.55 0.08 -0.57 -4.82 117.98 113.39 1hky s PHE 49 Ca 0.00 -3.00 -0.11 0.00 0.12 0.00 0.00 56.93 53.94 1hky s PHE 49 Cb 0.00 -3.03 0.08 0.00 -0.57 0.00 0.00 43.02 39.50 1hky s PHE 49 CO 0.00 -0.75 1.09 -0.59 -0.10 0.00 0.00 175.22 174.87 1hky s PHE 50 N -0.60 2.51 -0.39 0.36 -0.71 -1.23 -1.62 117.98 116.29 1hky s PHE 50 Ca 0.20 1.42 0.07 0.00 -1.04 0.00 0.00 56.93 57.58 1hky s PHE 50 Cb -0.17 -3.09 0.18 0.00 -1.21 0.00 0.00 43.02 38.73 1hky s PHE 50 CO -0.06 -2.00 0.59 0.99 -1.34 0.00 0.00 175.22 173.39 1hky s THR 51 N -2.93 -0.91 0.62 -4.49 2.01 0.26 -2.48 115.64 107.72 1hky s THR 51 Ca 0.62 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.40 1hky s THR 51 Cb -0.17 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 1hky s THR 51 CO 0.56 -0.08 0.98 -0.22 -0.69 0.00 0.00 174.62 175.18 1hky s LEU 52 N 1.91 3.16 0.00 4.42 2.96 0.14 -1.22 118.68 130.05 1hky s LEU 52 Ca 0.15 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1hky s LEU 52 Cb -0.06 -3.90 0.00 0.00 0.50 0.00 0.00 46.19 42.73 1hky s LEU 52 CO -0.09 -1.07 0.00 0.00 -1.32 0.00 0.00 176.35 173.87 1hky n ALA 53 N -2.73 0.00 0.28 5.97 0.00 0.66 -0.44 120.51 124.24 1hky n ALA 53 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.67 1hky n ALA 53 Cb 0.56 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.90 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 -1.74 -3.33 113.55 109.35 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 -1.27 -0.55 3.52 5.77 0.00 -1.26 -4.79 105.19 106.62 1hky n GLY 55 Ca -0.00 -0.02 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 0.02 0.44 0.17 1.61 2.20 -0.99 -3.78 119.74 119.41 1hky s LYS 56 Ca 0.01 1.10 -0.07 0.00 -0.36 0.00 0.00 55.97 56.65 1hky s LYS 56 Cb 0.06 0.66 -0.06 0.00 -1.51 0.00 0.00 37.83 36.98 1hky s LYS 56 CO -0.02 -0.16 0.44 0.00 -0.36 0.00 0.00 175.35 175.26 1hky s SER 58 N -2.35 0.45 -0.10 0.00 0.01 -0.36 -0.73 113.70 110.62 1hky s SER 58 Ca 0.43 0.39 -0.09 0.00 1.31 0.00 0.00 55.95 57.98 1hky s SER 58 Cb -0.12 0.83 -0.04 0.00 0.21 0.00 0.00 66.02 66.90 1hky s SER 58 CO 0.23 -0.27 0.21 -1.48 0.41 0.00 0.00 173.24 172.34 1hky s LEU 59 N 2.46 4.39 -0.11 2.44 2.34 0.11 0.89 118.68 131.20 1hky s LEU 59 Ca 0.05 0.57 0.02 0.00 0.06 0.00 0.00 54.13 54.82 1hky s LEU 59 Cb -0.14 -2.21 0.02 0.00 -0.56 0.00 0.00 46.19 43.30 1hky s LEU 59 CO -0.12 0.35 -0.15 -0.36 -1.06 0.00 0.00 176.35 175.01 1hky s PHE 60 N -0.84 2.00 0.00 3.48 0.40 -0.64 -2.15 117.98 120.23 1hky s PHE 60 Ca 0.17 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 1hky s PHE 60 Cb -0.13 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1hky s PHE 60 CO 0.06 -0.49 0.00 0.00 0.70 0.00 0.00 175.22 175.48 1hky n ALA 61 N 4.25 0.00 0.14 5.36 0.00 -1.19 -1.52 120.51 127.55 1hky n ALA 61 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.29 1hky n ALA 61 Cb 0.51 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.01 1hky n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hky n ASP 62 N 0.00 1.91 -4.72 0.00 2.03 -1.26 -4.50 116.55 110.01 1hky n ASP 62 Ca 0.00 -1.54 -0.42 0.00 0.52 0.00 0.00 54.79 53.35 1hky n ASP 62 Cb 0.00 -0.05 -0.01 0.00 -0.72 0.00 0.00 41.12 40.34 1hky n ASP 62 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1hky n ASP 63 N 0.28 3.15 0.00 1.67 2.03 -1.26 -4.91 116.55 117.52 1hky n ASP 63 Ca 0.05 1.20 0.00 0.00 0.52 0.00 0.00 54.79 56.56 1hky n ASP 63 Cb 0.23 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 1hky n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hky n ALA 64 N 0.71 1.82 0.62 -1.67 0.00 -1.26 -4.68 120.51 116.05 1hky n ALA 64 Ca 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.08 1hky n ALA 64 Cb 0.36 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.05 2.82 -2.56 0.00 0.00 -1.26 -4.79 120.51 114.68 1hky n ALA 65 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 1hky n ALA 65 Cb 0.10 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.88 4.60 0.31 0.00 0.05 -1.26 -1.44 118.68 120.06 1hky s LEU 66 Ca 0.16 -0.54 0.08 0.00 0.05 0.00 0.00 54.13 53.89 1hky s LEU 66 Cb 0.12 -2.13 -0.04 0.00 -2.05 0.00 0.00 46.19 42.09 1hky s LEU 66 CO 0.06 -0.28 0.16 -0.13 -0.55 0.00 0.00 176.35 175.61 1hky s ARG 67 N 1.70 2.53 0.95 1.48 3.00 -0.20 -4.84 118.95 123.57 1hky s ARG 67 Ca 0.06 -1.38 -0.12 0.00 0.00 0.00 0.00 55.73 54.29 1hky s ARG 67 Cb -0.18 -2.31 0.16 0.00 0.00 0.00 0.00 34.95 32.63 1hky s ARG 67 CO 0.10 0.21 1.10 -1.25 0.00 0.00 0.00 175.30 175.45 1hky s PRO 68 N -3.85 0.81 0.06 3.54 0.04 -1.26 -0.32 135.00 134.02 1hky s PRO 68 Ca 0.36 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1hky s PRO 68 Cb -0.05 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1hky s PRO 68 CO 0.23 -2.49 0.00 -2.37 0.04 0.00 0.00 177.00 172.41 1hky n THR 69 N -4.03 0.04 -3.91 1.26 5.66 -0.94 -4.69 114.28 107.68 1hky n THR 69 Ca 0.06 0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 60.98 1hky n THR 69 Cb 0.57 -0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.03 1hky n THR 69 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1hky s LYS 70 N -1.21 1.32 -0.71 1.09 -2.85 -1.26 -5.00 119.74 111.12 1hky s LYS 70 Ca 0.00 -1.11 0.03 0.00 -1.00 0.00 0.00 55.97 53.89 1hky s LYS 70 Cb 0.00 0.44 0.35 0.00 -2.06 0.00 0.00 37.83 36.56 1hky s LYS 70 CO 0.00 -0.53 1.34 -1.13 0.10 0.00 0.00 175.35 175.14 1hky n SER 71 N -0.29 5.66 -2.27 0.03 3.41 -1.26 -1.23 113.62 117.67 1hky n SER 71 Ca -0.07 -3.71 -0.22 0.00 -0.26 0.00 0.00 58.87 54.61 1hky n SER 71 Cb 0.63 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 1hky n SER 71 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1hky n ASP 72 N -0.28 6.33 -0.13 4.04 2.03 -1.26 -4.60 116.55 122.68 1hky n ASP 72 Ca 0.40 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1hky n ASP 72 Cb 0.39 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 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 0.91 0.80 3.90 0.27 0.00 -1.26 -4.25 105.19 105.55 1hky n GLY 73 Ca 0.43 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.26 3.89 0.15 4.61 0.00 -1.26 -3.66 121.76 123.22 1hky s ALA 74 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1hky s ALA 74 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1hky s ALA 74 CO 0.00 0.71 -0.18 0.08 0.00 0.00 0.00 175.76 176.38 1hky s VAL 75 N -1.42 1.70 -0.07 0.00 1.01 0.42 -2.84 120.40 119.19 1hky s VAL 75 Ca 0.32 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 1hky s VAL 75 Cb -0.13 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1hky s VAL 75 CO 0.21 -0.32 0.66 -0.94 0.00 0.00 0.00 175.10 174.71 1hky s SER 76 N -2.55 -0.64 0.02 3.32 1.04 -0.52 0.25 113.70 114.62 1hky s SER 76 Ca 0.13 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1hky s SER 76 Cb -0.06 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1hky s SER 76 CO 0.06 -0.56 -0.03 -0.83 0.98 0.00 0.00 173.24 172.85 1hky s GLY 77 N -1.04 0.25 0.00 7.32 0.00 -1.04 -2.60 107.32 110.21 1hky s GLY 77 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1hky s GLY 77 CO 0.09 -0.57 0.00 0.70 0.00 0.00 0.00 173.10 173.32 1hky n ASN 78 N 1.86 0.41 -3.14 1.64 4.13 -1.26 -3.56 115.26 115.33 1hky n ASN 78 Ca -0.22 -0.03 0.03 0.00 1.68 0.00 0.00 54.58 56.04 1hky n ASN 78 Cb 0.56 0.14 -0.00 0.00 -1.54 0.00 0.00 39.78 38.94 1hky n ASN 78 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1hky s LYS 79 N -0.22 0.60 0.17 3.52 -2.85 -1.26 -4.98 119.74 114.71 1hky s LYS 79 Ca 0.00 0.09 -0.32 0.00 -1.00 0.00 0.00 55.97 54.75 1hky s LYS 79 Cb 0.00 0.14 -0.11 0.00 -2.06 0.00 0.00 37.83 35.80 1hky s LYS 79 CO 0.00 -0.96 1.72 1.03 0.10 0.00 0.00 175.35 177.24 1hky s ARG 80 N 2.32 4.15 -0.60 1.78 0.52 -1.26 -4.61 118.95 121.25 1hky s ARG 80 Ca 0.15 2.54 0.02 0.00 -0.52 0.00 0.00 55.73 57.91 1hky s ARG 80 Cb -0.05 -3.27 0.40 0.00 0.52 0.00 0.00 34.95 32.56 1hky s ARG 80 CO -0.16 -0.75 1.58 0.00 0.02 0.00 0.00 175.30 175.99 1hky n ILE 82 N -0.59 0.27 -2.22 0.00 -5.35 -1.26 -4.91 119.36 105.30 1hky n ILE 82 Ca 0.48 -0.47 -0.43 0.00 -0.27 0.00 0.00 62.75 62.07 1hky n ILE 82 Cb 0.55 -0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.36 1hky n ILE 82 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1hky s LEU 83 N -4.45 3.53 0.00 7.28 1.43 -1.26 -4.83 118.68 120.38 1hky s LEU 83 Ca -0.07 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1hky s LEU 83 Cb 0.10 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1hky s LEU 83 CO 0.71 -1.60 0.00 0.18 0.23 0.00 0.00 176.35 175.87 1hky n LEU 84 N 9.57 0.00 -0.11 1.79 7.99 -1.26 -4.40 117.00 130.58 1hky n LEU 84 Ca 0.18 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.23 1hky n LEU 84 Cb 0.48 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.76 1hky n LEU 84 CO 0.70 -0.95 0.09 -1.84 -1.51 0.00 0.00 177.39 173.88 1hky n GLU 85 N -1.02 2.92 0.00 3.23 0.28 -1.26 -5.07 120.64 119.71 1hky n GLU 85 Ca 0.00 -0.30 0.16 0.00 -0.16 0.00 0.00 57.16 56.86 1hky n GLU 85 Cb 0.00 -1.03 0.85 0.00 1.43 0.00 0.00 31.44 32.69 1hky n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72