#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk6 n MET 4 N 0.00 0.67 -3.90 -0.41 0.00 -1.26 -4.74 117.12 107.48 1hk6 n MET 4 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.41 1hk6 n MET 4 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.24 1hk6 n MET 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1hk6 n ARG 5 N 0.00 -5.02 -1.96 2.12 3.00 -1.26 -4.89 116.66 108.64 1hk6 n ARG 5 Ca 0.00 0.57 -0.42 0.00 -0.01 0.00 0.00 57.85 57.99 1hk6 n ARG 5 Cb 0.00 -5.32 -0.02 0.00 0.00 0.00 0.00 32.46 27.12 1hk6 n ARG 5 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1hk6 s GLN 6 N -6.51 4.23 0.44 5.56 -0.21 -1.26 -4.76 119.66 117.15 1hk6 s GLN 6 Ca 0.48 2.35 -0.25 0.00 0.02 0.00 0.00 55.36 57.96 1hk6 s GLN 6 Cb -0.24 -3.12 -0.08 0.00 1.00 0.00 0.00 33.01 30.57 1hk6 s GLN 6 CO 0.84 -0.51 1.28 -1.25 -2.12 0.00 0.00 175.29 173.53 1hk6 s PRO 7 N 0.19 3.81 0.37 2.91 0.04 -1.26 -4.84 135.00 136.22 1hk6 s PRO 7 Ca 0.64 2.09 -0.26 0.00 0.04 0.00 0.00 61.00 63.51 1hk6 s PRO 7 Cb -0.43 -2.62 -0.12 0.00 0.04 0.00 0.00 34.50 31.37 1hk6 s PRO 7 CO 0.39 -0.60 0.94 -2.30 0.04 0.00 0.00 177.00 175.48 1hk6 n PRO 8 N -0.15 1.24 -3.47 0.56 -0.02 -1.18 -4.81 135.00 127.16 1hk6 n PRO 8 Ca 0.05 0.44 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 1hk6 n PRO 8 Cb 0.45 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 31.92 1hk6 n PRO 8 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1hk6 s LEU 9 N 0.19 0.28 0.16 2.45 2.96 0.23 -1.15 118.68 123.81 1hk6 s LEU 9 Ca 0.61 -1.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 1hk6 s LEU 9 Cb -0.62 -0.01 -0.08 0.00 0.50 0.00 0.00 46.19 45.98 1hk6 s LEU 9 CO 0.58 -0.40 1.20 -0.69 -1.32 0.00 0.00 176.35 175.72 1hk6 s VAL 10 N 2.04 3.65 -0.32 1.68 1.01 -1.09 -1.05 120.40 126.32 1hk6 s VAL 10 Ca 0.11 1.35 0.16 0.00 0.00 0.00 0.00 61.98 63.60 1hk6 s VAL 10 Cb -0.16 -3.86 0.45 0.00 0.00 0.00 0.00 36.38 32.81 1hk6 s VAL 10 CO -0.30 0.19 1.22 0.35 0.00 0.00 0.00 175.10 176.57 1hk6 n THR 11 N 2.78 0.63 -3.65 3.92 -2.24 -0.11 -3.99 114.28 111.62 1hk6 n THR 11 Ca 0.05 -2.21 -0.02 0.00 -2.27 0.00 0.00 64.05 59.61 1hk6 n THR 11 Cb 0.45 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 1hk6 n THR 11 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hk6 s GLY 12 N -2.46 0.34 -0.28 3.38 0.00 -0.84 -4.84 107.32 102.62 1hk6 s GLY 12 Ca 0.22 3.44 -0.17 0.00 0.00 0.00 0.00 44.72 48.20 1hk6 s GLY 12 CO -0.05 1.73 0.84 -1.50 0.00 0.00 0.00 173.10 174.12 1hk6 s ILE 13 N -0.27 0.00 -0.00 0.90 2.07 -1.26 -2.77 121.20 119.86 1hk6 s ILE 13 Ca 0.08 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.09 1hk6 s ILE 13 Cb -0.04 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.41 1hk6 s ILE 13 CO -0.15 0.00 1.01 -1.28 -1.91 0.00 0.00 174.94 172.61 1hk6 h SER 14 N 6.27 -0.57 -3.48 4.50 0.87 -1.97 -3.43 113.55 115.74 1hk6 h SER 14 Ca -0.29 -0.05 -0.60 0.00 -1.23 0.00 0.00 61.79 59.62 1hk6 h SER 14 Cb 1.21 0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 63.20 1hk6 h SER 14 CO 0.17 -0.17 -0.06 -2.16 -0.53 0.00 0.00 176.83 174.07 1hk6 s PRO 15 N -4.27 4.17 0.38 2.24 0.04 -1.26 -4.95 135.00 131.35 1hk6 s PRO 15 Ca -0.13 0.37 0.22 0.00 0.04 0.00 0.00 61.00 61.50 1hk6 s PRO 15 Cb 0.01 -3.57 0.25 0.00 0.04 0.00 0.00 34.50 31.23 1hk6 s PRO 15 CO 0.41 -0.16 1.49 -0.97 0.04 0.00 0.00 177.00 177.81 1hk6 h ASN 16 N 7.52 0.00 -3.85 6.66 -0.73 -1.94 -3.46 115.58 119.78 1hk6 h ASN 16 Ca -0.33 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 57.78 1hk6 h ASN 16 Cb 1.15 0.00 -0.22 0.00 0.27 0.00 0.00 38.32 39.52 1hk6 h ASN 16 CO 0.73 0.07 0.01 -1.83 -0.37 0.00 0.00 177.43 176.04 1hk6 s GLU 17 N -3.20 0.72 0.00 6.67 -1.05 -1.26 -2.49 118.70 118.09 1hk6 s GLU 17 Ca 0.05 0.90 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 1hk6 s GLU 17 Cb 0.06 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1hk6 s GLU 17 CO 0.70 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 177.22 1hk6 n GLY 18 N 2.94 1.09 3.36 -3.83 0.00 -1.14 -4.90 105.19 102.71 1hk6 n GLY 18 Ca -0.15 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1hk6 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hk6 n ILE 19 N -0.08 0.00 -0.23 -0.61 -5.35 -1.22 -3.02 119.36 108.85 1hk6 n ILE 19 Ca 0.00 -0.24 0.03 0.00 -0.27 0.00 0.00 62.75 62.28 1hk6 n ILE 19 Cb 0.00 -0.61 0.14 0.00 -1.74 0.00 0.00 39.64 37.44 1hk6 n ILE 19 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1hk6 h PRO 20 N -1.75 0.18 0.00 6.28 0.11 -1.78 0.37 132.00 135.41 1hk6 h PRO 20 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hk6 h PRO 20 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1hk6 h PRO 20 CO 0.36 0.12 0.00 0.91 -0.21 0.00 0.00 178.00 179.18 1hk6 n TRP 21 N -5.23 0.84 -1.68 0.65 7.02 -1.26 0.12 117.44 117.90 1hk6 n TRP 21 Ca 0.12 0.30 -0.48 0.00 -1.02 0.00 0.00 57.50 56.42 1hk6 n TRP 21 Cb 0.41 -0.99 -0.05 0.00 -2.42 0.00 0.00 31.31 28.27 1hk6 n TRP 21 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1hk6 n THR 22 N -2.24 0.44 -1.81 -0.99 -1.04 0.12 -4.68 114.28 104.08 1hk6 n THR 22 Ca 0.03 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1hk6 n THR 22 Cb 0.28 -1.79 -0.01 0.00 -1.82 0.00 0.00 70.33 66.99 1hk6 n THR 22 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1hk6 s LYS 23 N 3.31 4.13 -0.05 -2.82 2.20 -1.26 -4.05 119.74 121.19 1hk6 s LYS 23 Ca 0.89 2.55 -0.01 0.00 -0.36 0.00 0.00 55.97 59.04 1hk6 s LYS 23 Cb -0.69 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1hk6 s LYS 23 CO 0.48 -0.58 0.01 0.14 -0.36 0.00 0.00 175.35 175.04 1hk6 s VAL 24 N -0.31 0.22 -0.39 4.02 -7.23 -1.24 -4.81 120.40 110.67 1hk6 s VAL 24 Ca 0.60 0.18 -0.26 0.00 -1.81 0.00 0.00 61.98 60.69 1hk6 s VAL 24 Cb -0.47 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.10 1hk6 s VAL 24 CO 0.52 0.22 0.94 -0.89 -0.31 0.00 0.00 175.10 175.58 1hk6 s THR 25 N 1.81 4.54 0.21 5.32 2.01 -1.26 -4.07 115.64 124.20 1hk6 s THR 25 Ca 0.02 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1hk6 s THR 25 Cb -0.12 -4.37 -0.08 0.00 0.01 0.00 0.00 72.50 67.93 1hk6 s THR 25 CO -0.04 -0.61 0.97 -0.63 -0.69 0.00 0.00 174.62 173.62 1hk6 s ILE 26 N 3.58 4.09 -0.09 1.82 1.01 -1.11 -3.98 121.20 126.53 1hk6 s ILE 26 Ca 0.39 2.00 -0.04 0.00 0.00 0.00 0.00 60.65 62.99 1hk6 s ILE 26 Cb -0.11 -4.27 0.04 0.00 0.01 0.00 0.00 42.46 38.13 1hk6 s ILE 26 CO 0.20 0.43 0.19 -0.13 0.00 0.00 0.00 174.94 175.64 1hk6 s ARG 27 N -0.91 0.14 0.00 2.79 1.81 -1.11 -3.27 118.95 118.40 1hk6 s ARG 27 Ca 0.43 0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.90 1hk6 s ARG 27 Cb -0.26 -0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.08 1hk6 s ARG 27 CO 0.33 -0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 1hk6 n GLY 28 N 4.28 1.91 3.23 -3.53 0.00 -1.25 -0.93 105.19 108.90 1hk6 n GLY 28 Ca -0.25 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1hk6 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hk6 s GLU 29 N 4.49 0.38 -1.38 1.61 0.41 -0.21 -4.73 118.70 119.27 1hk6 s GLU 29 Ca 0.00 0.65 -0.09 0.00 -0.41 0.00 0.00 54.97 55.12 1hk6 s GLU 29 Cb 0.00 0.05 0.03 0.00 -1.78 0.00 0.00 34.13 32.43 1hk6 s GLU 29 CO 0.00 -0.12 1.08 0.09 -0.49 0.00 0.00 175.26 175.82 1hk6 n ASN 30 N 3.73 -5.12 -0.13 -0.19 3.02 -1.15 -0.60 115.26 114.82 1hk6 n ASN 30 Ca -0.20 -0.63 -0.09 0.00 -0.03 0.00 0.00 54.58 53.64 1hk6 n ASN 30 Cb 0.56 -4.69 0.06 0.00 -0.61 0.00 0.00 39.78 35.10 1hk6 n ASN 30 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1hk6 h LEU 31 N -2.40 0.89 -7.00 3.41 4.07 -1.90 -3.11 115.31 109.26 1hk6 h LEU 31 Ca -0.58 -0.31 0.20 0.00 0.08 0.00 0.00 57.88 57.27 1hk6 h LEU 31 Cb 1.37 -0.24 -0.33 0.00 1.08 0.00 0.00 40.66 42.54 1hk6 h LEU 31 CO 0.58 1.05 0.76 -0.83 -1.08 0.00 0.00 178.44 178.92 1hk6 s GLY 32 N -3.77 0.53 0.33 0.83 0.00 -1.26 -4.81 107.32 99.17 1hk6 s GLY 32 Ca -0.10 3.72 0.02 0.00 0.00 0.00 0.00 44.72 48.36 1hk6 s GLY 32 CO 0.85 2.54 1.93 -0.91 0.00 0.00 0.00 173.10 177.51 1hk6 h THR 33 N 4.50 1.18 -2.70 0.90 1.35 -1.93 -3.36 112.91 112.85 1hk6 h THR 33 Ca -0.27 -0.56 0.11 0.00 -0.55 0.00 0.00 66.41 65.14 1hk6 h THR 33 Cb 1.17 0.58 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 1hk6 h THR 33 CO 0.22 0.22 0.37 -0.83 -0.25 0.00 0.00 175.52 175.25 1hk6 s GLY 34 N -3.65 -0.04 0.23 5.82 0.00 -1.26 -4.89 107.32 103.53 1hk6 s GLY 34 Ca -0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 44.72 44.35 1hk6 s GLY 34 CO 0.77 0.20 1.74 -2.55 0.00 0.00 0.00 173.10 173.26 1hk6 h PRO 35 N 2.00 0.45 -0.77 2.90 0.11 -1.95 -1.00 132.00 133.74 1hk6 h PRO 35 Ca -0.24 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1hk6 h PRO 35 Cb 1.24 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1hk6 h PRO 35 CO 0.28 0.30 0.34 1.79 -0.21 0.00 0.00 178.00 180.50 1hk6 h THR 36 N 0.46 1.25 -0.95 -1.15 1.35 -2.00 -2.67 112.91 109.20 1hk6 h THR 36 Ca 0.38 -0.75 0.06 0.00 -0.55 0.00 0.00 66.41 65.54 1hk6 h THR 36 Cb 0.53 0.30 -0.06 0.00 -1.73 0.00 0.00 68.15 67.18 1hk6 h THR 36 CO -0.36 0.31 0.61 -0.78 -0.25 0.00 0.00 175.52 175.05 1hk6 h ASP 37 N 1.11 0.99 0.00 5.36 1.82 -1.58 -3.22 116.42 120.90 1hk6 h ASP 37 Ca 0.26 0.01 -0.63 0.00 -0.39 0.00 0.00 57.03 56.28 1hk6 h ASP 37 Cb 0.17 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 39.98 1hk6 h ASP 37 CO -0.03 0.64 2.88 -0.11 -1.61 0.00 0.00 179.24 181.01 1hk6 n LEU 38 N -4.53 5.89 0.07 2.28 0.00 -1.00 -2.59 117.00 117.12 1hk6 n LEU 38 Ca 0.14 -3.54 -0.08 0.00 0.00 0.00 0.00 56.01 52.54 1hk6 n LEU 38 Cb 0.16 -1.36 0.06 0.00 0.00 0.00 0.00 43.42 42.27 1hk6 n LEU 38 CO 0.32 0.68 0.39 0.16 0.00 0.00 0.00 177.39 178.94 1hk6 h ILE 39 N 3.91 1.40 -4.31 1.96 3.07 -1.71 -3.45 117.51 118.38 1hk6 h ILE 39 Ca 0.55 -2.15 -0.55 0.00 1.55 0.00 0.00 64.86 64.26 1hk6 h ILE 39 Cb 0.51 2.12 -0.29 0.00 -0.27 0.00 0.00 36.82 38.89 1hk6 h ILE 39 CO 1.82 0.64 -0.84 -0.83 -1.05 0.00 0.00 178.15 177.90 1hk6 s GLY 40 N -4.35 0.89 -0.07 0.16 0.00 -1.26 -5.04 107.32 97.64 1hk6 s GLY 40 Ca -0.04 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.77 1hk6 s GLY 40 CO 0.82 -0.67 0.30 -2.27 0.00 0.00 0.00 173.10 171.28 1hk6 s LEU 41 N -0.50 0.87 -0.23 0.66 2.96 -1.26 -0.78 118.68 120.41 1hk6 s LEU 41 Ca 0.07 0.38 -0.26 0.00 -0.22 0.00 0.00 54.13 54.10 1hk6 s LEU 41 Cb -0.07 1.11 0.08 0.00 0.50 0.00 0.00 46.19 47.81 1hk6 s LEU 41 CO -0.00 -0.24 0.76 0.42 -1.32 0.00 0.00 176.35 175.96 1hk6 s THR 42 N -0.46 0.00 -0.17 3.68 -4.23 -1.18 -3.17 115.64 110.10 1hk6 s THR 42 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1hk6 s THR 42 Cb -0.04 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.84 1hk6 s THR 42 CO 0.02 0.00 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.39 1hk6 s ILE 43 N 0.03 1.32 0.00 2.99 1.01 -0.90 -2.77 121.20 122.88 1hk6 s ILE 43 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1hk6 s ILE 43 Cb -0.04 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1hk6 s ILE 43 CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.13 1hk6 n GLY 45 N 0.00 1.11 3.75 0.00 0.00 -1.26 -4.34 105.19 104.45 1hk6 n GLY 45 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1hk6 n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hk6 s HIS 46 N 0.00 3.82 0.62 1.61 5.65 -1.16 -4.97 115.29 120.86 1hk6 s HIS 46 Ca 0.00 1.83 -0.17 0.00 0.25 0.00 0.00 55.06 56.96 1hk6 s HIS 46 Cb 0.00 -3.11 -0.02 0.00 -1.18 0.00 0.00 32.58 28.28 1hk6 s HIS 46 CO 0.00 0.04 1.17 1.21 -0.65 0.00 0.00 174.74 176.51 1hk6 s ASN 47 N -1.02 5.10 -0.37 9.88 2.47 -1.26 -2.11 114.94 127.63 1hk6 s ASN 47 Ca 0.43 2.25 0.11 0.00 0.42 0.00 0.00 52.86 56.07 1hk6 s ASN 47 Cb -0.28 -2.58 0.40 0.00 -1.45 0.00 0.00 41.25 37.34 1hk6 s ASN 47 CO 0.36 -1.64 1.45 0.00 -3.72 0.00 0.00 177.10 173.54 1hk6 h LEU 49 N 1.53 0.19 -1.03 0.00 5.85 -1.92 -3.11 115.31 116.82 1hk6 h LEU 49 Ca -0.36 -0.72 0.12 0.00 0.84 0.00 0.00 57.88 57.76 1hk6 h LEU 49 Cb 1.30 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1hk6 h LEU 49 CO -0.12 1.57 0.63 0.17 -0.34 0.00 0.00 178.44 180.35 1hk6 h LEU 50 N -0.59 0.92 0.21 2.25 -0.00 -1.96 -2.44 115.31 113.70 1hk6 h LEU 50 Ca -0.33 0.04 -0.32 0.00 -0.00 0.00 0.00 57.88 57.27 1hk6 h LEU 50 Cb 1.56 -0.14 0.03 0.00 -0.00 0.00 0.00 40.66 42.11 1hk6 h LEU 50 CO -0.06 0.49 -1.41 0.71 -0.00 0.00 0.00 178.44 178.17 1hk6 h THR 51 N 0.99 1.34 -3.43 0.15 1.35 -1.97 -3.46 112.91 107.89 1hk6 h THR 51 Ca 0.49 -2.83 -0.53 0.00 -0.55 0.00 0.00 66.41 62.99 1hk6 h THR 51 Cb 0.48 3.00 0.09 0.00 -1.73 0.00 0.00 68.15 69.99 1hk6 h THR 51 CO -0.25 0.84 0.88 0.00 -0.25 0.00 0.00 175.52 176.74 1hk6 s ALA 52 N -2.62 3.73 -0.10 6.62 0.00 -0.92 -4.74 121.76 123.73 1hk6 s ALA 52 Ca -0.07 1.60 0.03 0.00 0.00 0.00 0.00 51.96 53.51 1hk6 s ALA 52 Cb 0.05 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1hk6 s ALA 52 CO 0.92 -1.03 -0.19 -2.00 0.00 0.00 0.00 175.76 173.47 1hk6 s GLU 53 N -0.80 2.55 0.46 0.00 2.12 -0.77 -4.92 118.70 117.34 1hk6 s GLU 53 Ca 0.62 -0.70 -0.23 0.00 0.36 0.00 0.00 54.97 55.02 1hk6 s GLU 53 Cb -0.48 -2.04 -0.07 0.00 0.26 0.00 0.00 34.13 31.80 1hk6 s GLU 53 CO 0.51 0.05 1.18 -0.46 -0.54 0.00 0.00 175.26 176.00 1hk6 s TRP 54 N 0.66 2.87 0.00 5.30 -0.00 -1.26 -3.43 118.94 123.08 1hk6 s TRP 54 Ca -0.13 1.53 0.00 0.00 -0.00 0.00 0.00 56.10 57.50 1hk6 s TRP 54 Cb -0.16 -3.41 0.00 0.00 -0.00 0.00 0.00 33.47 29.90 1hk6 s TRP 54 CO 0.03 -1.56 0.00 -1.33 -0.00 0.00 0.00 176.95 174.09 1hk6 n MET 55 N -0.45 0.00 -3.61 5.86 2.81 -1.23 -4.99 117.12 115.51 1hk6 n MET 55 Ca 0.07 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.90 1hk6 n MET 55 Cb 0.48 -0.32 -0.02 0.00 -0.71 0.00 0.00 33.22 32.65 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1hk6 s SER 56 N -3.06 -0.28 0.00 7.83 1.04 -1.17 -4.99 113.70 113.06 1hk6 s SER 56 Ca 0.00 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1hk6 s SER 56 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1hk6 s SER 56 CO 0.00 -0.73 0.52 0.00 0.98 0.00 0.00 173.24 174.01 1hk6 n ALA 57 N -0.34 2.05 -1.77 5.32 0.00 -1.26 -2.33 120.51 122.18 1hk6 n ALA 57 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1hk6 n ALA 57 Cb 0.61 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1hk6 n ALA 57 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hk6 n SER 58 N 0.58 -0.46 -3.64 0.00 7.64 -1.26 -2.94 113.62 113.53 1hk6 n SER 58 Ca 0.00 -1.09 -0.05 0.00 1.01 0.00 0.00 58.87 58.74 1hk6 n SER 58 Cb 0.26 0.14 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1hk6 s LYS 59 N 0.00 0.54 -0.19 1.43 2.20 -0.98 -3.96 119.74 118.77 1hk6 s LYS 59 Ca 0.00 0.92 -0.06 0.00 -0.36 0.00 0.00 55.97 56.47 1hk6 s LYS 59 Cb 0.00 0.11 0.09 0.00 -1.51 0.00 0.00 37.83 36.52 1hk6 s LYS 59 CO 0.00 -0.11 0.39 0.42 -0.36 0.00 0.00 175.35 175.68 1hk6 s ILE 60 N 1.47 -0.61 -0.11 5.43 1.01 -1.20 -3.06 121.20 124.12 1hk6 s ILE 60 Ca -0.09 0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.52 1hk6 s ILE 60 Cb -0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1hk6 s ILE 60 CO -0.17 0.06 0.55 -0.69 0.00 0.00 0.00 174.94 174.69 1hk6 s VAL 61 N 2.57 5.13 -0.17 2.92 1.01 -1.22 -2.74 120.40 127.91 1hk6 s VAL 61 Ca 0.00 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 1hk6 s VAL 61 Cb -0.12 -3.89 0.14 0.00 0.00 0.00 0.00 36.38 32.50 1hk6 s VAL 61 CO -0.12 0.28 1.05 0.00 0.00 0.00 0.00 175.10 176.31 1hk6 s ARG 63 N -1.35 4.56 0.15 0.00 3.00 -1.26 -3.72 118.95 120.33 1hk6 s ARG 63 Ca 0.01 1.19 -0.33 0.00 0.00 0.00 0.00 55.73 56.60 1hk6 s ARG 63 Cb -0.01 -3.37 -0.13 0.00 0.00 0.00 0.00 34.95 31.45 1hk6 s ARG 63 CO -0.01 0.25 1.68 0.28 0.00 0.00 0.00 175.30 177.51 1hk6 n VAL 64 N 2.83 0.10 -1.62 3.52 0.31 0.32 -4.86 118.33 118.93 1hk6 n VAL 64 Ca -0.01 -0.02 -0.40 0.00 -0.01 0.00 0.00 64.34 63.91 1hk6 n VAL 64 Cb 0.50 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.63 1hk6 n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hk6 n GLY 65 N 3.78 4.60 7.00 2.92 0.00 -1.26 -4.09 105.19 118.14 1hk6 n GLY 65 Ca 0.17 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1hk6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hk6 n GLN 66 N 3.21 0.00 -3.65 1.61 10.64 -1.26 -4.26 117.38 123.67 1hk6 n GLN 66 Ca 0.69 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.80 1hk6 n GLN 66 Cb 0.26 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.55 1hk6 n GLN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1hk6 s ALA 67 N -1.15 -1.38 0.05 2.61 0.00 -1.26 -4.81 121.76 115.81 1hk6 s ALA 67 Ca 0.00 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 1hk6 s ALA 67 Cb 0.00 -1.45 -0.28 0.00 0.00 0.00 0.00 23.12 21.39 1hk6 s ALA 67 CO 0.00 -0.81 1.03 0.87 0.00 0.00 0.00 175.76 176.85 1hk6 h LYS 68 N 8.13 0.26 0.00 0.00 1.79 -1.83 -3.49 116.57 121.43 1hk6 h LYS 68 Ca -0.16 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 1hk6 h LYS 68 Cb 1.11 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1hk6 h LYS 68 CO 0.12 1.17 0.00 0.27 -1.08 0.00 0.00 179.45 179.93 1hk6 n ASN 69 N -3.49 0.00 -2.69 0.86 0.23 -1.26 -5.06 115.26 103.84 1hk6 n ASN 69 Ca -0.11 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.87 1hk6 n ASN 69 Cb 1.03 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.81 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1hk6 n ASP 70 N 0.00 -0.36 0.06 0.53 -0.08 -1.26 -4.95 116.55 110.50 1hk6 n ASP 70 Ca 0.00 -2.51 -0.22 0.00 -1.51 0.00 0.00 54.79 50.55 1hk6 n ASP 70 Cb 0.00 0.30 -0.15 0.00 2.34 0.00 0.00 41.12 43.61 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1hk6 h LYS 71 N 2.35 0.35 -4.91 -0.67 2.10 -1.99 -3.49 116.57 110.30 1hk6 h LYS 71 Ca -0.21 -0.60 0.00 0.00 -2.00 0.00 0.00 60.65 57.84 1hk6 h LYS 71 Cb 1.25 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 1hk6 h LYS 71 CO 0.16 1.29 -0.08 0.41 -2.00 0.00 0.00 179.45 179.22 1hk6 n GLY 72 N 1.74 -1.09 3.63 0.07 0.00 -1.26 -5.06 105.19 103.22 1hk6 n GLY 72 Ca -0.20 0.48 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 1hk6 n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hk6 s ASP 73 N -2.71 -0.92 -0.90 1.61 -1.08 -1.26 -4.39 116.67 107.02 1hk6 s ASP 73 Ca 0.04 1.42 -0.21 0.00 -0.52 0.00 0.00 52.55 53.28 1hk6 s ASP 73 Cb -0.01 1.55 0.09 0.00 -1.46 0.00 0.00 42.92 43.08 1hk6 s ASP 73 CO 0.61 -0.22 1.21 -0.63 0.52 0.00 0.00 175.17 176.67 1hk6 s ILE 74 N 1.87 4.32 0.15 4.11 1.01 -1.26 -3.61 121.20 127.79 1hk6 s ILE 74 Ca -0.09 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.36 1hk6 s ILE 74 Cb -0.06 -4.86 -0.08 0.00 0.01 0.00 0.00 42.46 37.47 1hk6 s ILE 74 CO -0.19 -1.66 0.77 -0.63 0.00 0.00 0.00 174.94 173.23 1hk6 s ILE 75 N 3.89 4.41 -0.13 2.92 -1.09 -1.12 -4.47 121.20 125.61 1hk6 s ILE 75 Ca 0.35 1.70 -0.04 0.00 -2.23 0.00 0.00 60.65 60.43 1hk6 s ILE 75 Cb -0.06 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.74 1hk6 s ILE 75 CO -0.04 0.51 0.11 -0.69 -1.23 0.00 0.00 174.94 173.60 1hk6 s VAL 76 N -1.02 -0.16 0.30 2.92 1.01 -1.24 -3.10 120.40 119.10 1hk6 s VAL 76 Ca 0.36 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1hk6 s VAL 76 Cb -0.23 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 1hk6 s VAL 76 CO 0.26 -0.08 0.89 -0.89 0.00 0.00 0.00 175.10 175.29 1hk6 s THR 77 N 2.20 4.29 -0.02 3.92 2.01 0.04 0.40 115.64 128.48 1hk6 s THR 77 Ca 0.04 1.71 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1hk6 s THR 77 Cb -0.14 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1hk6 s THR 77 CO -0.07 0.17 -0.03 0.42 -0.69 0.00 0.00 174.62 174.41 1hk6 s THR 78 N -1.59 0.30 0.20 -0.82 -4.23 -1.26 -4.07 115.64 104.18 1hk6 s THR 78 Ca 0.48 -0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 1hk6 s THR 78 Cb -0.18 -0.32 0.13 0.00 1.34 0.00 0.00 72.50 73.48 1hk6 s THR 78 CO 0.23 0.13 1.71 0.11 -0.54 0.00 0.00 174.62 176.26 1hk6 h LYS 79 N 6.62 0.24 -0.07 3.99 1.57 -1.85 -2.13 116.57 124.94 1hk6 h LYS 79 Ca -0.34 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1hk6 h LYS 79 Cb 1.17 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1hk6 h LYS 79 CO 0.49 0.16 -0.03 0.77 -0.57 0.00 0.00 179.45 180.27 1hk6 h SER 80 N 0.25 0.15 0.00 0.86 0.02 -1.96 -3.43 113.55 109.43 1hk6 h SER 80 Ca 0.28 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1hk6 h SER 80 Cb 0.39 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1hk6 h SER 80 CO -0.36 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1hk6 n GLY 81 N 0.02 0.31 0.00 -3.77 0.00 -0.82 -5.07 105.19 95.85 1hk6 n GLY 81 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1hk6 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hk6 n GLY 82 N 4.32 0.03 3.54 -0.02 0.00 -1.08 -4.83 105.19 107.15 1hk6 n GLY 82 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1hk6 n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hk6 s LYS 83 N -0.53 0.36 0.01 1.61 2.20 -1.26 -4.50 119.74 117.63 1hk6 s LYS 83 Ca 0.00 0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 1hk6 s LYS 83 Cb 0.00 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1hk6 s LYS 83 CO 0.00 -0.10 0.97 0.20 -0.36 0.00 0.00 175.35 176.07 1hk6 s GLY 84 N 1.92 2.92 0.01 5.54 0.00 0.16 -4.57 107.32 113.31 1hk6 s GLY 84 Ca -0.06 0.54 -0.01 0.00 0.00 0.00 0.00 44.72 45.19 1hk6 s GLY 84 CO -0.16 1.65 0.17 -0.51 0.00 0.00 0.00 173.10 174.25 1hk6 s THR 85 N 0.87 5.26 -0.16 0.90 -4.23 -0.30 -3.71 115.64 114.28 1hk6 s THR 85 Ca 0.51 -0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1hk6 s THR 85 Cb -0.21 -3.48 0.06 0.00 1.34 0.00 0.00 72.50 70.21 1hk6 s THR 85 CO 0.28 0.27 0.36 -0.94 -0.54 0.00 0.00 174.62 174.05 1hk6 s SER 86 N -2.07 -0.30 0.14 3.99 1.04 -1.26 -2.68 113.70 112.55 1hk6 s SER 86 Ca 0.29 0.79 0.07 0.00 0.48 0.00 0.00 55.95 57.57 1hk6 s SER 86 Cb -0.13 0.78 -0.13 0.00 0.10 0.00 0.00 66.02 66.65 1hk6 s SER 86 CO 0.20 -0.20 1.32 0.71 0.98 0.00 0.00 173.24 176.25 1hk6 h THR 87 N 5.83 1.67 -3.59 2.02 1.35 -1.96 -3.43 112.91 114.79 1hk6 h THR 87 Ca -0.31 -3.21 -0.52 0.00 -0.55 0.00 0.00 66.41 61.82 1hk6 h THR 87 Cb 1.16 2.75 -0.03 0.00 -1.73 0.00 0.00 68.15 70.29 1hk6 h THR 87 CO 0.26 0.92 0.20 0.68 -0.25 0.00 0.00 175.52 177.33 1hk6 s VAL 88 N -2.84 4.37 0.02 6.82 -7.23 -1.26 -5.05 120.40 115.22 1hk6 s VAL 88 Ca 0.00 1.66 0.08 0.00 -1.81 0.00 0.00 61.98 61.91 1hk6 s VAL 88 Cb 0.10 -4.08 -0.02 0.00 0.56 0.00 0.00 36.38 32.94 1hk6 s VAL 88 CO 0.82 0.41 -0.24 -0.44 -0.31 0.00 0.00 175.10 175.34 1hk6 s SER 89 N -1.31 2.87 -0.46 4.85 0.01 -1.26 -4.29 113.70 114.11 1hk6 s SER 89 Ca 0.39 -0.52 -0.17 0.00 1.31 0.00 0.00 55.95 56.97 1hk6 s SER 89 Cb -0.21 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 65.79 1hk6 s SER 89 CO 0.25 0.25 0.45 0.12 0.41 0.00 0.00 173.24 174.72 1hk6 s PHE 90 N -0.72 3.18 -0.17 2.43 5.36 -1.26 -5.00 117.98 121.81 1hk6 s PHE 90 Ca 0.10 -0.67 -0.29 0.00 -0.96 0.00 0.00 56.93 55.11 1hk6 s PHE 90 Cb -0.09 -3.12 -0.03 0.00 -0.34 0.00 0.00 43.02 39.44 1hk6 s PHE 90 CO 0.01 -0.80 1.54 0.21 -1.46 0.00 0.00 175.22 174.72 1hk6 s LYS 91 N 1.99 4.00 0.05 10.12 2.20 -1.04 -4.95 119.74 132.11 1hk6 s LYS 91 Ca 0.09 1.79 -0.29 0.00 -0.36 0.00 0.00 55.97 57.19 1hk6 s LYS 91 Cb -0.21 -3.96 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 1hk6 s LYS 91 CO 0.10 -1.04 0.94 -1.17 -0.36 0.00 0.00 175.35 173.82 1hk6 s LEU 92 N 4.48 4.43 -0.17 5.43 2.96 -1.26 -2.89 118.68 131.66 1hk6 s LEU 92 Ca 0.68 1.68 -0.08 0.00 -0.22 0.00 0.00 54.13 56.20 1hk6 s LEU 92 Cb -0.26 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 1hk6 s LEU 92 CO 0.26 -0.15 0.08 -0.76 -1.32 0.00 0.00 176.35 174.46 1hk6 s LEU 93 N 0.47 3.94 0.11 -0.68 1.43 -1.17 -4.86 118.68 117.92 1hk6 s LEU 93 Ca 0.48 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 1hk6 s LEU 93 Cb -0.22 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 1hk6 s LEU 93 CO 0.28 0.21 1.22 -0.54 0.23 0.00 0.00 176.35 177.76 1hk6 s LYS 94 N 0.13 4.44 0.21 1.70 1.02 -1.26 -3.44 119.74 122.54 1hk6 s LYS 94 Ca 0.06 1.84 -0.32 0.00 0.02 0.00 0.00 55.97 57.57 1hk6 s LYS 94 Cb -0.12 -3.30 -0.13 0.00 -0.52 0.00 0.00 37.83 33.76 1hk6 s LYS 94 CO 0.00 -0.23 1.61 -2.30 -0.92 0.00 0.00 175.35 173.51 1hk6 n PRO 95 N 3.49 2.44 -2.28 -1.68 -0.02 -1.26 -4.91 135.00 130.78 1hk6 n PRO 95 Ca 0.08 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 1hk6 n PRO 95 Cb 0.45 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1hk6 n PRO 95 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1hk6 s GLU 96 N 0.59 3.90 0.00 -0.52 8.01 -1.26 -5.20 118.70 124.22 1hk6 s GLU 96 Ca 0.74 1.49 0.05 0.00 0.01 0.00 0.00 54.97 57.26 1hk6 s GLU 96 Cb -0.59 -3.94 0.30 0.00 -4.31 0.00 0.00 34.13 25.60 1hk6 s GLU 96 CO 0.39 -1.15 0.77 1.17 0.01 0.00 0.00 175.26 176.46