#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz n ASP 10 N 0.00 -2.92 0.03 4.38 -0.08 -1.26 -5.00 116.55 111.70 3hkz n ASP 10 Ca 0.00 1.47 -0.17 0.00 -1.51 0.00 0.00 54.79 54.59 3hkz n ASP 10 Cb 0.00 -5.07 -0.14 0.00 2.34 0.00 0.00 41.12 38.25 3hkz n ASP 10 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hkz h PRO 11 N 4.23 0.21 -0.84 -0.67 0.13 -1.99 -3.44 132.00 129.63 3hkz h PRO 11 Ca -0.40 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 3hkz h PRO 11 Cb 0.91 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3hkz h PRO 11 CO 0.01 1.03 0.00 2.89 -0.23 0.00 0.00 178.00 181.70 3hkz n ARG 12 N -3.39 0.00 0.00 0.86 0.00 -1.26 -1.18 116.66 111.69 3hkz n ARG 12 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 3hkz n ARG 12 Cb 1.05 -0.96 0.00 0.00 -0.00 0.00 0.00 32.46 32.55 3hkz n ARG 12 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3hkz n ILE 13 N 0.56 0.00 -2.48 8.89 0.13 -1.26 -4.70 119.36 120.49 3hkz n ILE 13 Ca 0.00 0.00 -0.40 0.00 -1.10 0.00 0.00 62.75 61.25 3hkz n ILE 13 Cb 0.00 -0.31 -0.03 0.00 -0.84 0.00 0.00 39.64 38.46 3hkz n ILE 13 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 3hkz s HIS 14 N -1.51 2.23 0.00 9.51 0.09 -0.32 -4.68 115.29 120.61 3hkz s HIS 14 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 55.06 55.01 3hkz s HIS 14 Cb 0.00 -4.56 0.00 0.00 -0.00 0.00 0.00 32.58 28.02 3hkz s HIS 14 CO 0.00 -2.08 0.00 0.98 -0.00 0.00 0.00 174.74 173.64 3hkz n TYR 15 N 9.80 0.00 0.12 1.40 9.36 -1.26 -4.43 117.16 132.15 3hkz n TYR 15 Ca 0.10 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.27 3hkz n TYR 15 Cb 0.50 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.18 3hkz n TYR 15 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3hkz h LEU 16 N 0.00 -0.33 -6.48 2.98 3.38 -1.98 -3.43 115.31 109.46 3hkz h LEU 16 Ca 0.00 0.02 -0.45 0.00 0.09 0.00 0.00 57.88 57.53 3hkz h LEU 16 Cb 0.00 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3hkz h LEU 16 CO 0.00 -0.21 1.35 0.55 0.09 0.00 0.00 178.44 180.22 3hkz n VAL 17 N -3.03 0.00 -2.83 1.22 3.14 -1.26 -4.88 118.33 110.69 3hkz n VAL 17 Ca -0.04 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.09 3hkz n VAL 17 Cb 0.14 -0.40 0.01 0.00 -1.06 0.00 0.00 33.84 32.52 3hkz n VAL 17 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3hkz s PRO 18 N 6.76 3.28 -0.01 1.45 0.05 -1.26 -4.33 135.00 140.93 3hkz s PRO 18 Ca 1.07 -0.14 -0.28 0.00 0.05 0.00 0.00 61.00 61.71 3hkz s PRO 18 Cb -1.06 -2.46 -0.03 0.00 0.05 0.00 0.00 34.50 30.99 3hkz s PRO 18 CO 0.43 -0.25 0.89 0.15 0.05 0.00 0.00 177.00 178.27 3hkz s LYS 19 N -4.65 4.53 0.63 4.56 3.01 -1.26 -4.91 119.74 121.63 3hkz s LYS 19 Ca 0.47 1.25 0.01 0.00 -1.01 0.00 0.00 55.97 56.69 3hkz s LYS 19 Cb -0.10 -3.45 0.08 0.00 -1.01 0.00 0.00 37.83 33.35 3hkz s LYS 19 CO 0.41 0.00 0.87 -1.01 0.51 0.00 0.00 175.35 176.14 3hkz s HIS 20 N 0.88 2.18 -0.19 3.18 3.76 -1.26 -2.89 115.29 120.94 3hkz s HIS 20 Ca 0.47 -0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 55.03 3hkz s HIS 20 Cb -0.20 -2.81 0.05 0.00 1.11 0.00 0.00 32.58 30.74 3hkz s HIS 20 CO 0.25 -1.26 0.49 -1.21 -0.85 0.00 0.00 174.74 172.16 3hkz s GLU 21 N -4.92 0.55 -0.15 1.40 2.02 -0.89 -4.95 118.70 111.76 3hkz s GLU 21 Ca 0.62 0.76 -0.29 0.00 0.02 0.00 0.00 54.97 56.07 3hkz s GLU 21 Cb -0.08 0.20 -0.01 0.00 0.10 0.00 0.00 34.13 34.34 3hkz s GLU 21 CO 0.41 -0.10 1.06 0.08 0.02 0.00 0.00 175.26 176.74 3hkz s VAL 22 N 0.65 4.64 0.06 2.63 1.01 -1.26 -0.92 120.40 127.21 3hkz s VAL 22 Ca -0.03 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 3hkz s VAL 22 Cb -0.05 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3hkz s VAL 22 CO -0.04 -0.07 1.12 -0.76 0.00 0.00 0.00 175.10 175.35 3hkz s LEU 23 N 2.56 4.39 -1.20 3.92 1.43 -1.20 -4.91 118.68 123.67 3hkz s LEU 23 Ca 0.48 1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 55.40 3hkz s LEU 23 Cb -0.18 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.67 3hkz s LEU 23 CO 0.14 -0.37 1.51 0.59 0.23 0.00 0.00 176.35 178.45 3hkz n ASN 24 N 3.70 5.40 0.00 2.29 4.13 -1.26 -4.71 115.26 124.81 3hkz n ASN 24 Ca 0.07 -3.08 0.00 0.00 1.68 0.00 0.00 54.58 53.25 3hkz n ASN 24 Cb 0.48 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.24 3hkz n ASN 24 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3hkz n ILE 25 N 3.47 0.00 -0.18 2.41 2.08 -1.26 -1.03 119.36 124.85 3hkz n ILE 25 Ca 0.34 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.64 3hkz n ILE 25 Cb 0.39 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 39.36 3hkz n ILE 25 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3hkz h ASP 26 N 0.00 0.15 1.69 4.38 5.19 -2.02 -2.35 116.42 123.46 3hkz h ASP 26 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3hkz h ASP 26 Cb 0.00 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3hkz h ASP 26 CO 0.00 0.10 -0.13 1.05 -3.12 0.00 0.00 179.24 177.15 3hkz h GLU 27 N 0.34 0.00 0.00 3.56 4.11 -1.47 -3.38 114.58 117.74 3hkz h GLU 27 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 3hkz h GLU 27 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hkz h GLU 27 CO -0.30 0.00 0.00 0.00 0.07 0.00 0.00 179.01 178.78 3hkz n ALA 28 N -2.00 0.00 0.00 1.06 0.00 -0.88 -3.73 120.51 114.95 3hkz n ALA 28 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hkz n ALA 28 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3hkz n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hkz n TYR 29 N 0.00 0.00 0.10 0.00 4.02 -1.23 0.07 117.16 120.12 3hkz n TYR 29 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 3hkz n TYR 29 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.18 3hkz n TYR 29 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3hkz h LYS 30 N 0.00 0.27 -0.08 -0.72 3.64 -1.75 -2.46 116.57 115.47 3hkz h LYS 30 Ca 0.00 -0.45 -0.14 0.00 -1.27 0.00 0.00 60.65 58.79 3hkz h LYS 30 Cb 0.00 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3hkz h LYS 30 CO 0.00 1.21 -0.56 0.97 -2.27 0.00 0.00 179.45 178.80 3hkz h ILE 31 N 0.07 1.37 -0.10 2.00 -0.00 -0.45 -2.78 117.51 117.62 3hkz h ILE 31 Ca -0.14 -1.87 -0.12 0.00 -0.00 0.00 0.00 64.86 62.73 3hkz h ILE 31 Cb 1.97 1.92 -0.01 0.00 -0.00 0.00 0.00 36.82 40.70 3hkz h ILE 31 CO 0.20 0.55 -0.47 -0.07 -0.00 0.00 0.00 178.15 178.36 3hkz h LEU 32 N 0.19 0.26 -0.56 2.19 3.38 -1.61 -1.78 115.31 117.37 3hkz h LEU 32 Ca 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3hkz h LEU 32 Cb 1.04 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3hkz h LEU 32 CO 0.09 0.70 0.29 0.11 0.09 0.00 0.00 178.44 179.71 3hkz h LYS 33 N 0.20 0.80 -0.47 1.13 1.57 -1.18 -0.81 116.57 117.81 3hkz h LYS 33 Ca 0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3hkz h LYS 33 Cb 0.91 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3hkz h LYS 33 CO 0.07 0.64 0.00 -1.91 -0.57 0.00 0.00 179.45 177.68 3hkz n GLU 34 N -4.57 2.12 0.00 3.15 2.13 -1.07 -3.38 120.64 119.01 3hkz n GLU 34 Ca 0.03 -1.61 0.00 0.00 0.66 0.00 0.00 57.16 56.25 3hkz n GLU 34 Cb 0.11 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.43 3hkz n GLU 34 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hkz n LEU 35 N 0.76 1.25 -4.13 4.31 4.77 -0.68 -5.04 117.00 118.24 3hkz n LEU 35 Ca 0.15 -1.25 -0.34 0.00 -0.03 0.00 0.00 56.01 54.54 3hkz n LEU 35 Cb 0.40 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 3hkz n LEU 35 CO 0.11 0.31 -0.23 0.61 -1.33 0.00 0.00 177.39 176.86 3hkz n GLY 36 N -0.28 -0.27 3.33 -0.72 0.00 -0.34 -4.94 105.19 101.97 3hkz n GLY 36 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3hkz n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hkz s ILE 37 N -3.36 1.70 0.70 -0.61 -4.36 -1.20 -5.09 121.20 108.98 3hkz s ILE 37 Ca 0.49 -2.11 -0.09 0.00 -0.26 0.00 0.00 60.65 58.68 3hkz s ILE 37 Cb -0.29 -1.96 0.04 0.00 1.25 0.00 0.00 42.46 41.51 3hkz s ILE 37 CO 0.89 -0.53 1.05 -0.13 0.24 0.00 0.00 174.94 176.45 3hkz s ARG 38 N -3.41 2.50 0.26 0.37 3.00 -1.26 -4.78 118.95 115.63 3hkz s ARG 38 Ca 0.20 0.10 0.08 0.00 0.00 0.00 0.00 55.73 56.10 3hkz s ARG 38 Cb -0.02 -2.10 0.33 0.00 0.00 0.00 0.00 34.95 33.16 3hkz s ARG 38 CO 0.06 -1.14 1.60 -1.35 0.00 0.00 0.00 175.30 174.47 3hkz h PRO 39 N -0.63 0.12 -0.91 3.54 0.11 -1.98 -3.03 132.00 129.22 3hkz h PRO 39 Ca -0.45 -0.08 0.18 0.00 0.11 0.00 0.00 66.00 65.75 3hkz h PRO 39 Cb 1.29 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 3hkz h PRO 39 CO 0.63 0.67 0.48 1.05 -0.21 0.00 0.00 178.00 180.62 3hkz h GLU 40 N 0.09 0.59 -3.95 1.05 4.11 -1.94 -3.30 114.58 111.23 3hkz h GLU 40 Ca -0.00 -0.04 -0.78 0.00 0.07 0.00 0.00 59.36 58.61 3hkz h GLU 40 Cb 1.06 -0.13 -0.25 0.00 0.50 0.00 0.00 28.75 29.93 3hkz h GLU 40 CO 0.08 0.39 0.06 1.14 0.07 0.00 0.00 179.01 180.76 3hkz s GLN 41 N -5.91 3.46 -0.27 1.06 -2.07 -1.15 -4.94 119.66 109.84 3hkz s GLN 41 Ca -0.12 -2.25 -0.35 0.00 -1.82 0.00 0.00 55.36 50.82 3hkz s GLN 41 Cb 0.24 -4.42 0.17 0.00 -1.09 0.00 0.00 33.01 27.91 3hkz s GLN 41 CO 0.79 -1.32 1.35 -0.48 -1.32 0.00 0.00 175.29 174.30 3hkz s LEU 42 N 0.62 -0.04 0.00 2.60 0.05 -1.25 -4.67 118.68 115.99 3hkz s LEU 42 Ca 0.15 0.02 0.00 0.00 0.05 0.00 0.00 54.13 54.35 3hkz s LEU 42 Cb -0.14 1.11 0.00 0.00 -2.05 0.00 0.00 46.19 45.10 3hkz s LEU 42 CO -0.06 -0.06 0.00 -2.65 -0.55 0.00 0.00 176.35 173.03 3hkz n PRO 43 N 0.17 0.00 -0.11 1.48 -0.02 -1.26 -4.62 135.00 130.64 3hkz n PRO 43 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3hkz n PRO 43 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3hkz n PRO 43 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hkz n TRP 44 N -1.49 0.00 -3.63 6.00 8.01 -1.26 -4.97 117.44 120.11 3hkz n TRP 44 Ca 0.00 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.91 3hkz n TRP 44 Cb 0.00 -0.25 -0.03 0.00 -2.01 0.00 0.00 31.31 29.02 3hkz n TRP 44 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.69 175.18 3hkz s ILE 45 N 0.00 5.16 0.15 -0.99 1.10 -1.26 -4.76 121.20 120.61 3hkz s ILE 45 Ca 0.00 -0.20 -0.17 0.00 -0.51 0.00 0.00 60.65 59.76 3hkz s ILE 45 Cb 0.00 -3.71 -0.07 0.00 0.15 0.00 0.00 42.46 38.83 3hkz s ILE 45 CO 0.00 -0.15 0.61 -0.60 -2.11 0.00 0.00 174.94 172.69 3hkz s ARG 46 N -3.22 4.13 0.18 3.50 3.00 -1.26 -2.56 118.95 122.71 3hkz s ARG 46 Ca 0.40 0.68 -0.09 0.00 -1.00 0.00 0.00 55.73 55.72 3hkz s ARG 46 Cb -0.11 -3.00 0.06 0.00 0.00 0.00 0.00 34.95 31.90 3hkz s ARG 46 CO 0.28 0.49 1.63 0.00 0.00 0.00 0.00 175.30 177.70 3hkz h ALA 47 N 3.76 0.81 0.00 6.12 0.00 -1.90 -2.85 119.26 125.19 3hkz h ALA 47 Ca -0.49 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3hkz h ALA 47 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hkz h ALA 47 CO 0.65 0.67 0.00 0.43 0.00 0.00 0.00 179.25 181.00 3hkz n SER 48 N -4.17 0.69 -4.67 0.00 7.64 -1.26 -3.93 113.62 107.92 3hkz n SER 48 Ca 0.03 -1.35 -0.39 0.00 1.01 0.00 0.00 58.87 58.17 3hkz n SER 48 Cb 0.36 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.16 3hkz n SER 48 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hkz s ASP 49 N -0.31 6.54 0.00 6.43 3.68 -1.08 -4.93 116.67 127.01 3hkz s ASP 49 Ca 0.00 0.65 0.00 0.00 2.13 0.00 0.00 52.55 55.33 3hkz s ASP 49 Cb 0.00 -2.28 0.00 0.00 -1.45 0.00 0.00 42.92 39.19 3hkz s ASP 49 CO 0.00 -0.14 0.75 -0.81 0.13 0.00 0.00 175.17 175.11 3hkz n PRO 50 N 4.60 0.00 -0.01 4.34 -0.04 -1.26 -0.34 135.00 142.29 3hkz n PRO 50 Ca -0.06 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 3hkz n PRO 50 Cb 0.51 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 3hkz n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hkz n VAL 51 N -1.25 0.00 -0.09 0.52 0.31 -1.26 -3.61 118.33 112.94 3hkz n VAL 51 Ca 0.00 -0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 63.81 3hkz n VAL 51 Cb 0.15 0.24 -0.12 0.00 -0.91 0.00 0.00 33.84 33.20 3hkz n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkz n ALA 52 N -1.92 0.95 0.33 3.52 0.00 0.54 -3.40 120.51 120.53 3hkz n ALA 52 Ca -0.02 -0.70 0.18 0.00 0.00 0.00 0.00 53.44 52.90 3hkz n ALA 52 Cb 0.33 -0.39 0.96 0.00 0.00 0.00 0.00 19.45 20.35 3hkz n ALA 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hkz h ARG 53 N -0.71 0.00 0.44 0.00 2.43 -1.21 0.28 114.38 115.62 3hkz h ARG 53 Ca -0.47 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3hkz h ARG 53 Cb 1.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 3hkz h ARG 53 CO -0.19 0.00 -0.21 1.03 -1.51 0.00 0.00 179.97 179.09 3hkz h SER 54 N 0.00 -0.50 -3.51 -3.80 0.87 -1.67 -3.45 113.55 101.49 3hkz h SER 54 Ca 0.00 0.02 -0.67 0.00 -1.23 0.00 0.00 61.79 59.91 3hkz h SER 54 Cb 0.39 0.13 -0.27 0.00 -0.44 0.00 0.00 62.40 62.20 3hkz h SER 54 CO 0.00 -0.10 -0.68 -0.51 -0.53 0.00 0.00 176.83 175.01 3hkz s ILE 55 N -3.49 3.58 -0.30 2.23 2.07 0.09 -5.00 121.20 120.38 3hkz s ILE 55 Ca -0.09 -0.62 -0.08 0.00 -1.41 0.00 0.00 60.65 58.46 3hkz s ILE 55 Cb 0.01 -2.74 -0.07 0.00 0.13 0.00 0.00 42.46 39.78 3hkz s ILE 55 CO 0.26 0.26 0.77 0.59 -1.91 0.00 0.00 174.94 174.91 3hkz n ASN 56 N 4.81 -0.04 -4.01 4.50 3.02 -1.26 -4.76 115.26 117.52 3hkz n ASN 56 Ca -0.16 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.20 3hkz n ASN 56 Cb 0.49 -0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 39.26 3hkz n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkz s ALA 57 N 2.08 0.78 -0.09 5.41 0.00 -1.26 -4.95 121.76 123.73 3hkz s ALA 57 Ca 0.41 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 3hkz s ALA 57 Cb -0.35 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 3hkz s ALA 57 CO 0.15 0.17 0.41 0.15 0.00 0.00 0.00 175.76 176.64 3hkz s LYS 58 N -0.08 4.17 0.00 0.00 1.02 -1.26 -4.96 119.74 118.62 3hkz s LYS 58 Ca 0.01 0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.34 3hkz s LYS 58 Cb -0.05 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3hkz s LYS 58 CO -0.00 0.37 0.98 -2.30 -0.92 0.00 0.00 175.35 173.48 3hkz n PRO 59 N 2.99 0.00 0.00 -1.68 -0.02 -1.26 -1.77 135.00 133.26 3hkz n PRO 59 Ca -0.11 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 3hkz n PRO 59 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3hkz n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hkz n GLY 60 N 3.98 0.20 3.71 -1.23 0.00 -1.25 -4.89 105.19 105.71 3hkz n GLY 60 Ca 0.03 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3hkz n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 61 N 0.00 7.21 -0.01 1.61 1.01 -0.73 -5.00 116.67 120.77 3hkz s ASP 61 Ca 0.00 1.82 0.01 0.00 0.71 0.00 0.00 52.55 55.08 3hkz s ASP 61 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3hkz s ASP 61 CO 0.00 -0.39 0.01 0.27 0.21 0.00 0.00 175.17 175.28 3hkz s ILE 62 N 1.19 4.27 0.57 0.77 -4.36 -1.26 -4.18 121.20 118.19 3hkz s ILE 62 Ca 0.55 -0.54 -0.08 0.00 -0.26 0.00 0.00 60.65 60.33 3hkz s ILE 62 Cb -0.25 -2.90 -0.02 0.00 1.25 0.00 0.00 42.46 40.54 3hkz s ILE 62 CO 0.27 0.39 0.92 -0.63 0.24 0.00 0.00 174.94 176.13 3hkz s ILE 63 N -1.09 4.34 -0.26 8.37 1.09 -1.26 -3.26 121.20 129.13 3hkz s ILE 63 Ca 0.20 0.35 -0.02 0.00 -1.10 0.00 0.00 60.65 60.07 3hkz s ILE 63 Cb -0.12 -3.70 0.08 0.00 -1.06 0.00 0.00 42.46 37.66 3hkz s ILE 63 CO 0.10 -0.79 0.07 -0.60 -0.10 0.00 0.00 174.94 173.62 3hkz s ARG 64 N -5.00 0.63 0.19 2.79 3.00 -0.10 -3.20 118.95 117.26 3hkz s ARG 64 Ca 0.52 -0.72 -0.05 0.00 -1.00 0.00 0.00 55.73 54.49 3hkz s ARG 64 Cb -0.11 -1.93 -0.06 0.00 0.00 0.00 0.00 34.95 32.86 3hkz s ARG 64 CO 0.48 -0.84 0.44 0.42 0.00 0.00 0.00 175.30 175.80 3hkz s ILE 65 N 1.79 5.11 -0.38 4.11 1.01 0.20 -2.10 121.20 130.94 3hkz s ILE 65 Ca 0.05 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3hkz s ILE 65 Cb -0.17 -3.66 0.15 0.00 0.01 0.00 0.00 42.46 38.80 3hkz s ILE 65 CO -0.19 -0.07 0.26 -0.63 0.00 0.00 0.00 174.94 174.31 3hkz s ILE 66 N -1.79 0.29 0.25 2.92 1.01 -1.14 -0.39 121.20 122.35 3hkz s ILE 66 Ca 0.42 -2.12 -0.21 0.00 0.00 0.00 0.00 60.65 58.74 3hkz s ILE 66 Cb -0.12 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 3hkz s ILE 66 CO 0.26 -1.08 0.77 0.00 0.00 0.00 0.00 174.94 174.89 3hkz s ARG 67 N 0.64 4.31 0.49 2.79 1.70 -0.95 -4.33 118.95 123.60 3hkz s ARG 67 Ca 0.24 0.96 -0.23 0.00 -0.47 0.00 0.00 55.73 56.22 3hkz s ARG 67 Cb -0.13 -2.84 -0.07 0.00 -0.57 0.00 0.00 34.95 31.34 3hkz s ARG 67 CO -0.07 0.36 1.29 1.63 -1.08 0.00 0.00 175.30 177.43 3hkz n LYS 68 N 0.64 1.77 -4.90 3.89 5.02 -1.26 -0.40 118.16 122.92 3hkz n LYS 68 Ca -0.01 0.64 -0.33 0.00 -2.02 0.00 0.00 58.31 56.59 3hkz n LYS 68 Cb 0.51 -2.46 -0.14 0.00 -0.02 0.00 0.00 35.03 32.92 3hkz n LYS 68 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hkz s SER 69 N -0.74 3.95 0.00 4.39 0.15 -1.23 -4.67 113.70 115.55 3hkz s SER 69 Ca 0.67 -0.24 0.30 0.00 0.70 0.00 0.00 55.95 57.38 3hkz s SER 69 Cb -0.46 -0.95 1.53 0.00 -1.71 0.00 0.00 66.02 64.44 3hkz s SER 69 CO 0.53 0.31 2.06 0.00 1.20 0.00 0.00 173.24 177.34 3hkz n GLN 70 N 2.53 0.46 0.00 5.44 6.02 -1.26 -2.74 117.38 127.83 3hkz n GLN 70 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 3hkz n GLN 70 Cb 0.52 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3hkz n GLN 70 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hkz n LEU 71 N -1.27 0.00 -0.08 1.08 4.77 -1.26 -4.87 117.00 115.37 3hkz n LEU 71 Ca 0.15 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3hkz n LEU 71 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3hkz n LEU 71 CO 0.23 0.00 0.22 0.00 -1.33 0.00 0.00 177.39 176.51 3hkz n TYR 72 N -0.37 0.00 0.00 -1.77 4.19 -1.25 -4.99 117.16 112.97 3hkz n TYR 72 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3hkz n TYR 72 Cb 0.00 0.02 0.00 0.00 0.49 0.00 0.00 39.34 39.85 3hkz n TYR 72 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3hkz n GLY 73 N 0.00 0.63 0.00 2.98 0.00 -1.11 -4.65 105.19 103.05 3hkz n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hkz n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 74 N -1.90 0.00 -4.75 1.61 1.02 -1.26 -3.54 120.64 111.82 3hkz n GLU 74 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3hkz n GLU 74 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 3hkz n GLU 74 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hkz s VAL 75 N -0.01 1.66 0.29 2.62 1.01 0.46 -4.73 120.40 121.69 3hkz s VAL 75 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 3hkz s VAL 75 Cb 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 3hkz s VAL 75 CO 0.00 0.47 0.85 -0.69 0.00 0.00 0.00 175.10 175.73 3hkz s VAL 76 N 0.69 4.39 0.28 2.92 1.01 -1.26 -2.25 120.40 126.18 3hkz s VAL 76 Ca -0.12 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 3hkz s VAL 76 Cb -0.16 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3hkz s VAL 76 CO 0.03 0.12 0.64 -0.55 0.00 0.00 0.00 175.10 175.34 3hkz s SER 77 N -1.70 -0.13 0.09 3.32 0.15 0.47 -4.98 113.70 110.93 3hkz s SER 77 Ca 0.48 -0.81 0.02 0.00 0.70 0.00 0.00 55.95 56.34 3hkz s SER 77 Cb -0.17 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3hkz s SER 77 CO 0.22 -1.31 0.08 -1.22 1.20 0.00 0.00 173.24 172.20 3hkz n TYR 78 N -0.45 -0.25 0.00 3.44 4.02 -1.26 0.63 117.16 123.29 3hkz n TYR 78 Ca -0.03 -0.74 0.00 0.00 -0.01 0.00 0.00 57.90 57.11 3hkz n TYR 78 Cb 0.60 0.08 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 3hkz n TYR 78 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3hkz n ARG 79 N -0.17 0.00 0.00 -0.72 5.12 -1.19 -4.47 116.66 115.23 3hkz n ARG 79 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 3hkz n ARG 79 Cb 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 3hkz n ARG 79 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3hkz n TYR 80 N 0.00 0.00 -0.49 -1.55 4.19 -1.26 -4.08 117.16 113.97 3hkz n TYR 80 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3hkz n TYR 80 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 3hkz n TYR 80 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 3hkz n VAL 81 N -0.67 -2.29 -0.87 2.97 0.31 -1.06 -3.86 118.33 112.86 3hkz n VAL 81 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 65.05 3hkz n VAL 81 Cb 0.00 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 3hkz n VAL 81 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13