#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk6 s MET 4 N 0.00 0.20 -0.36 1.57 0.00 -1.26 -5.09 119.30 114.36 1hk6 s MET 4 Ca 0.00 0.25 0.05 0.00 0.00 0.00 0.00 55.69 55.98 1hk6 s MET 4 Cb 0.00 0.10 0.28 0.00 0.00 0.00 0.00 34.83 35.21 1hk6 s MET 4 CO 0.00 -0.02 1.27 -2.13 0.00 0.00 0.00 175.02 174.13 1hk6 n ARG 5 N 1.87 0.47 -1.76 3.16 0.63 -1.26 -5.14 116.66 114.63 1hk6 n ARG 5 Ca -0.11 -1.12 -0.42 0.00 -0.92 0.00 0.00 57.85 55.28 1hk6 n ARG 5 Cb 0.57 -0.33 -0.02 0.00 0.45 0.00 0.00 32.46 33.12 1hk6 n ARG 5 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1hk6 s GLN 6 N 0.11 4.13 0.46 -0.14 2.00 -1.26 -4.93 119.66 120.02 1hk6 s GLN 6 Ca 0.18 2.58 -0.24 0.00 -2.00 0.00 0.00 55.36 55.88 1hk6 s GLN 6 Cb 0.26 -3.06 -0.09 0.00 0.80 0.00 0.00 33.01 30.92 1hk6 s GLN 6 CO -0.12 -0.70 1.20 -2.30 -0.50 0.00 0.00 175.29 172.87 1hk6 n PRO 7 N 3.33 1.68 -1.72 1.67 -0.02 -1.26 -4.92 135.00 133.76 1hk6 n PRO 7 Ca 0.13 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1hk6 n PRO 7 Cb 0.36 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1hk6 n PRO 7 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1hk6 n PRO 8 N -0.19 2.17 -3.69 0.52 -0.04 -1.26 -4.81 135.00 127.70 1hk6 n PRO 8 Ca 0.08 0.77 -0.18 0.00 -0.04 0.00 0.00 63.50 64.13 1hk6 n PRO 8 Cb 0.41 -2.45 -0.17 0.00 -0.04 0.00 0.00 33.50 31.25 1hk6 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1hk6 s LEU 9 N -1.66 0.25 0.05 1.53 0.20 -0.61 -0.87 118.68 117.56 1hk6 s LEU 9 Ca 0.58 0.15 -0.25 0.00 0.69 0.00 0.00 54.13 55.29 1hk6 s LEU 9 Cb -0.51 -0.00 -0.05 0.00 -0.43 0.00 0.00 46.19 45.19 1hk6 s LEU 9 CO 0.60 -0.23 0.77 -0.69 -0.29 0.00 0.00 176.35 176.52 1hk6 s VAL 10 N 2.00 4.72 -0.36 1.68 1.01 -0.73 -0.09 120.40 128.63 1hk6 s VAL 10 Ca 0.02 1.64 0.13 0.00 0.00 0.00 0.00 61.98 63.77 1hk6 s VAL 10 Cb -0.12 -4.12 0.42 0.00 0.00 0.00 0.00 36.38 32.56 1hk6 s VAL 10 CO -0.04 0.36 1.28 0.35 0.00 0.00 0.00 175.10 177.06 1hk6 n THR 11 N 2.79 0.34 -3.64 3.92 -2.24 -0.72 -3.97 114.28 110.76 1hk6 n THR 11 Ca -0.02 -1.88 -0.04 0.00 -2.27 0.00 0.00 64.05 59.83 1hk6 n THR 11 Cb 0.50 0.95 -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 -1.85 0.15 -0.28 3.38 0.00 -0.53 -4.81 107.32 103.38 1hk6 s GLY 12 Ca 0.21 3.09 -0.16 0.00 0.00 0.00 0.00 44.72 47.86 1hk6 s GLY 12 CO -0.06 1.65 0.71 -1.50 0.00 0.00 0.00 173.10 173.89 1hk6 s ILE 13 N -0.28 0.00 0.03 0.90 2.07 -1.26 -2.22 121.20 120.44 1hk6 s ILE 13 Ca 0.06 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.00 1hk6 s ILE 13 Cb -0.04 -1.00 -0.17 0.00 0.13 0.00 0.00 42.46 41.38 1hk6 s ILE 13 CO -0.11 0.00 1.27 0.28 -1.91 0.00 0.00 174.94 174.48 1hk6 h SER 14 N 6.88 -0.89 -3.37 4.50 0.02 -1.96 -3.42 113.55 115.31 1hk6 h SER 14 Ca -0.30 0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.10 1hk6 h SER 14 Cb 1.23 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.92 1hk6 h SER 14 CO 0.16 -0.53 -0.00 -2.16 -1.14 0.00 0.00 176.83 173.16 1hk6 s PRO 15 N -5.13 4.33 -0.30 3.45 0.04 -1.26 -4.95 135.00 131.18 1hk6 s PRO 15 Ca -0.16 0.62 0.11 0.00 0.04 0.00 0.00 61.00 61.61 1hk6 s PRO 15 Cb 0.02 -3.48 0.64 0.00 0.04 0.00 0.00 34.50 31.72 1hk6 s PRO 15 CO 0.49 0.01 1.67 -1.71 0.04 0.00 0.00 177.00 177.50 1hk6 n ASN 16 N 4.11 4.03 0.00 6.66 4.05 -1.26 -4.91 115.26 127.94 1hk6 n ASN 16 Ca -0.04 -3.34 0.00 0.00 0.45 0.00 0.00 54.58 51.65 1hk6 n ASN 16 Cb 0.51 -0.69 0.00 0.00 1.23 0.00 0.00 39.78 40.83 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1hk6 n GLU 17 N -0.54 0.00 0.00 1.20 0.28 -1.26 -4.57 120.64 115.75 1hk6 n GLU 17 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1hk6 n GLU 17 Cb 1.24 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.11 1hk6 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1hk6 n GLY 18 N -0.02 3.03 3.60 -1.84 0.00 -1.16 -5.00 105.19 103.81 1hk6 n GLY 18 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.79 1.08 -0.35 -0.61 -5.35 -1.26 -2.88 119.36 109.21 1hk6 n ILE 19 Ca 0.00 -0.18 0.17 0.00 -0.27 0.00 0.00 62.75 62.48 1hk6 n ILE 19 Cb 0.00 -0.97 0.39 0.00 -1.74 0.00 0.00 39.64 37.32 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 -1.22 0.57 0.00 6.28 0.11 -1.84 0.18 132.00 136.09 1hk6 h PRO 20 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1hk6 h PRO 20 Cb 1.29 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1hk6 h PRO 20 CO 0.42 0.38 -0.03 -1.49 -0.21 0.00 0.00 178.00 177.07 1hk6 h TRP 21 N 0.59 0.00 -2.54 0.65 4.06 -1.88 0.36 115.95 117.18 1hk6 h TRP 21 Ca 0.64 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 61.03 1hk6 h TRP 21 Cb 1.21 0.00 0.07 0.00 -1.00 0.00 0.00 29.16 29.44 1hk6 h TRP 21 CO -0.01 0.03 0.82 2.41 -3.56 0.00 0.00 178.44 178.14 1hk6 n THR 22 N -3.13 0.28 -2.05 1.49 -1.04 0.63 -4.68 114.28 105.79 1hk6 n THR 22 Ca 0.01 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 1hk6 n THR 22 Cb 0.36 -1.68 -0.02 0.00 -1.82 0.00 0.00 70.33 67.17 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 0.58 4.29 -0.04 -2.82 2.20 -1.26 -3.98 119.74 118.71 1hk6 s LYS 23 Ca 0.74 2.27 0.01 0.00 -0.36 0.00 0.00 55.97 58.63 1hk6 s LYS 23 Cb -0.61 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1hk6 s LYS 23 CO 0.40 -0.36 -0.04 0.14 -0.36 0.00 0.00 175.35 175.12 1hk6 s VAL 24 N -0.22 0.54 -0.19 4.02 -7.23 -1.23 -4.85 120.40 111.23 1hk6 s VAL 24 Ca 0.57 -0.12 -0.24 0.00 -1.81 0.00 0.00 61.98 60.38 1hk6 s VAL 24 Cb -0.41 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 1hk6 s VAL 24 CO 0.45 0.23 0.79 -0.89 -0.31 0.00 0.00 175.10 175.36 1hk6 s THR 25 N 0.93 4.90 0.13 5.32 2.01 -1.26 -4.00 115.64 123.67 1hk6 s THR 25 Ca -0.11 1.52 -0.26 0.00 0.31 0.00 0.00 61.69 63.15 1hk6 s THR 25 Cb -0.14 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 1hk6 s THR 25 CO 0.00 0.02 0.82 -0.63 -0.69 0.00 0.00 174.62 174.14 1hk6 s ILE 26 N 2.25 4.48 -0.06 1.82 1.01 -1.03 -3.53 121.20 126.13 1hk6 s ILE 26 Ca 0.35 1.77 -0.04 0.00 0.00 0.00 0.00 60.65 62.74 1hk6 s ILE 26 Cb -0.16 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.16 1hk6 s ILE 26 CO 0.11 0.44 0.15 -0.13 0.00 0.00 0.00 174.94 175.51 1hk6 s ARG 27 N -0.62 0.13 0.00 2.79 1.81 -0.94 -3.26 118.95 118.85 1hk6 s ARG 27 Ca 0.39 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.72 1hk6 s ARG 27 Cb -0.23 -0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.19 1hk6 s ARG 27 CO 0.26 -0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 1hk6 n GLY 28 N 3.81 2.08 2.89 -3.53 0.00 -1.26 -1.45 105.19 107.72 1hk6 n GLY 28 Ca -0.22 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 4.44 0.06 -1.52 1.61 0.41 0.87 -4.79 118.70 119.79 1hk6 s GLU 29 Ca 0.00 0.37 -0.12 0.00 -0.41 0.00 0.00 54.97 54.81 1hk6 s GLU 29 Cb 0.00 -0.21 0.08 0.00 -1.78 0.00 0.00 34.13 32.22 1hk6 s GLU 29 CO 0.00 -0.19 0.92 0.09 -0.49 0.00 0.00 175.26 175.60 1hk6 n ASN 30 N 4.36 -4.17 -0.34 -0.19 3.02 -1.18 -1.57 115.26 115.19 1hk6 n ASN 30 Ca -0.24 -0.81 -0.02 0.00 -0.03 0.00 0.00 54.58 53.49 1hk6 n ASN 30 Cb 0.51 -3.78 0.14 0.00 -0.61 0.00 0.00 39.78 36.04 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 -2.01 1.10 -7.00 3.41 4.07 -1.89 -3.35 115.31 109.63 1hk6 h LEU 31 Ca -0.59 -0.03 0.19 0.00 0.08 0.00 0.00 57.88 57.53 1hk6 h LEU 31 Cb 1.38 -0.27 -0.32 0.00 1.08 0.00 0.00 40.66 42.52 1hk6 h LEU 31 CO 0.67 0.80 0.71 -0.83 -1.08 0.00 0.00 178.44 178.71 1hk6 s GLY 32 N -3.18 0.47 0.28 0.83 0.00 -1.26 -4.82 107.32 99.65 1hk6 s GLY 32 Ca -0.13 3.66 -0.00 0.00 0.00 0.00 0.00 44.72 48.25 1hk6 s GLY 32 CO 0.81 2.57 1.80 -0.91 0.00 0.00 0.00 173.10 177.37 1hk6 h THR 33 N 4.60 1.23 -2.90 0.90 1.35 -1.93 -3.25 112.91 112.92 1hk6 h THR 33 Ca -0.27 -0.92 0.05 0.00 -0.55 0.00 0.00 66.41 64.72 1hk6 h THR 33 Cb 1.17 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 1hk6 h THR 33 CO 0.22 0.33 0.30 -0.83 -0.25 0.00 0.00 175.52 175.29 1hk6 s GLY 34 N -3.74 0.11 0.22 5.82 0.00 -1.26 -4.78 107.32 103.70 1hk6 s GLY 34 Ca -0.09 -0.46 -0.08 0.00 0.00 0.00 0.00 44.72 44.09 1hk6 s GLY 34 CO 0.80 0.03 1.81 -2.55 0.00 0.00 0.00 173.10 173.20 1hk6 h PRO 35 N 2.00 0.72 -0.86 2.90 0.11 -1.90 -1.95 132.00 133.01 1hk6 h PRO 35 Ca -0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1hk6 h PRO 35 Cb 1.25 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1hk6 h PRO 35 CO 0.32 0.47 0.51 1.79 -0.21 0.00 0.00 178.00 180.88 1hk6 h THR 36 N 0.74 1.24 -0.18 -1.15 1.35 -2.01 -2.80 112.91 110.11 1hk6 h THR 36 Ca 0.33 -0.55 0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1hk6 h THR 36 Cb 0.22 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 66.67 1hk6 h THR 36 CO -0.19 0.26 0.08 -0.78 -0.25 0.00 0.00 175.52 174.63 1hk6 h ASP 37 N 1.19 0.11 -3.03 5.36 3.58 -1.77 -3.41 116.42 118.45 1hk6 h ASP 37 Ca 0.31 0.01 -0.54 0.00 0.42 0.00 0.00 57.03 57.23 1hk6 h ASP 37 Cb -0.03 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1hk6 h ASP 37 CO -0.06 0.09 0.71 -0.22 -2.88 0.00 0.00 179.24 176.89 1hk6 s LEU 38 N -10.23 4.35 0.00 2.28 0.20 -0.94 -2.04 118.68 112.31 1hk6 s LEU 38 Ca -0.13 2.16 0.00 0.00 0.69 0.00 0.00 54.13 56.85 1hk6 s LEU 38 Cb 0.09 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.27 1hk6 s LEU 38 CO 0.69 -0.62 0.00 2.30 -0.29 0.00 0.00 176.35 178.42 1hk6 n ILE 39 N 4.19 0.00 -4.18 6.68 -5.35 -1.25 -4.91 119.36 114.54 1hk6 n ILE 39 Ca 0.11 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.25 1hk6 n ILE 39 Cb 0.44 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.24 1hk6 n ILE 39 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1hk6 s GLY 40 N -2.63 1.87 -0.02 3.28 0.00 -1.25 -4.97 107.32 103.59 1hk6 s GLY 40 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.79 1hk6 s GLY 40 CO 0.00 -0.17 0.34 -2.27 0.00 0.00 0.00 173.10 171.00 1hk6 s LEU 41 N -0.07 0.74 -0.25 0.66 2.96 -1.26 -0.93 118.68 120.53 1hk6 s LEU 41 Ca 0.05 0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 53.88 1hk6 s LEU 41 Cb -0.12 1.34 0.07 0.00 0.50 0.00 0.00 46.19 47.98 1hk6 s LEU 41 CO 0.02 -0.44 0.70 -0.89 -1.32 0.00 0.00 176.35 174.41 1hk6 s THR 42 N -1.23 0.00 -0.04 3.68 2.01 -1.15 -4.00 115.64 114.91 1hk6 s THR 42 Ca -0.13 -0.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 1hk6 s THR 42 Cb -0.05 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1hk6 s THR 42 CO 0.04 -0.00 0.00 -0.63 -0.69 0.00 0.00 174.62 173.34 1hk6 s ILE 43 N 0.31 0.23 -1.48 1.82 1.01 -0.33 -2.80 121.20 119.97 1hk6 s ILE 43 Ca -0.00 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 1hk6 s ILE 43 Cb -0.05 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 42.13 1hk6 s ILE 43 CO 0.01 0.18 0.93 0.00 0.00 0.00 0.00 174.94 176.07 1hk6 n GLY 45 N -1.68 0.06 3.00 0.00 0.00 -1.26 -1.73 105.19 103.58 1hk6 n GLY 45 Ca 0.02 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.83 1.13 0.20 1.61 5.65 0.20 -4.77 115.29 116.48 1hk6 s HIS 46 Ca 0.00 -0.34 -0.30 0.00 0.25 0.00 0.00 55.06 54.66 1hk6 s HIS 46 Cb 0.00 -0.84 -0.09 0.00 -1.18 0.00 0.00 32.58 30.47 1hk6 s HIS 46 CO 0.00 -0.17 1.41 1.21 -0.65 0.00 0.00 174.74 176.53 1hk6 s ASN 47 N 0.45 6.74 -0.31 9.88 3.04 -1.26 -1.19 114.94 132.30 1hk6 s ASN 47 Ca -0.08 2.53 0.17 0.00 0.04 0.00 0.00 52.86 55.52 1hk6 s ASN 47 Cb -0.12 -2.61 0.45 0.00 -1.54 0.00 0.00 41.25 37.43 1hk6 s ASN 47 CO 0.02 -0.66 1.38 0.00 -3.04 0.00 0.00 177.10 174.80 1hk6 h LEU 49 N 1.63 0.53 -1.13 0.00 7.12 -1.91 -3.02 115.31 118.53 1hk6 h LEU 49 Ca -0.33 -0.93 0.15 0.00 0.13 0.00 0.00 57.88 56.90 1hk6 h LEU 49 Cb 1.29 -0.17 -0.08 0.00 -0.53 0.00 0.00 40.66 41.16 1hk6 h LEU 49 CO -0.04 1.52 0.61 0.17 -0.13 0.00 0.00 178.44 180.57 1hk6 h LEU 50 N -0.24 0.78 0.18 2.25 -0.00 -1.95 -2.09 115.31 114.25 1hk6 h LEU 50 Ca -0.21 0.06 -0.30 0.00 -0.00 0.00 0.00 57.88 57.42 1hk6 h LEU 50 Cb 1.79 -0.10 0.02 0.00 -0.00 0.00 0.00 40.66 42.38 1hk6 h LEU 50 CO 0.16 0.38 -1.35 0.71 -0.00 0.00 0.00 178.44 178.33 1hk6 h THR 51 N 0.81 1.39 -3.20 0.15 1.35 -1.95 -3.46 112.91 108.01 1hk6 h THR 51 Ca 0.50 -2.87 -0.55 0.00 -0.55 0.00 0.00 66.41 62.94 1hk6 h THR 51 Cb 0.69 2.98 0.09 0.00 -1.73 0.00 0.00 68.15 70.18 1hk6 h THR 51 CO -0.26 0.85 0.79 0.00 -0.25 0.00 0.00 175.52 176.65 1hk6 n ALA 52 N -2.62 2.15 -3.18 6.62 0.00 -0.79 -4.65 120.51 118.03 1hk6 n ALA 52 Ca -0.13 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.43 1hk6 n ALA 52 Cb 1.06 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.94 1hk6 n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1hk6 s GLU 53 N -0.70 1.91 0.62 0.00 2.56 -0.32 -4.95 118.70 117.81 1hk6 s GLU 53 Ca 0.63 -0.56 -0.17 0.00 0.00 0.00 0.00 54.97 54.87 1hk6 s GLU 53 Cb -0.53 -1.58 -0.02 0.00 2.00 0.00 0.00 34.13 34.00 1hk6 s GLU 53 CO 0.51 0.14 1.18 -0.46 -0.56 0.00 0.00 175.26 176.07 1hk6 s TRP 54 N 0.35 2.41 0.00 5.30 -0.00 -1.26 -3.05 118.94 122.68 1hk6 s TRP 54 Ca -0.10 1.54 0.00 0.00 -0.00 0.00 0.00 56.10 57.54 1hk6 s TRP 54 Cb -0.14 -3.39 0.00 0.00 -0.00 0.00 0.00 33.47 29.94 1hk6 s TRP 54 CO 0.04 -2.09 0.00 -1.33 -0.00 0.00 0.00 176.95 173.57 1hk6 n MET 55 N -1.92 0.00 -3.71 5.86 2.81 -1.23 -4.93 117.12 113.99 1hk6 n MET 55 Ca 0.13 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.99 1hk6 n MET 55 Cb 0.50 -0.18 -0.01 0.00 -0.71 0.00 0.00 33.22 32.82 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 -2.44 -0.15 0.00 7.83 1.04 -1.18 -4.99 113.70 113.82 1hk6 s SER 56 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1hk6 s SER 56 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1hk6 s SER 56 CO 0.00 -0.73 1.07 0.00 0.98 0.00 0.00 173.24 174.56 1hk6 n ALA 57 N -0.47 2.73 -1.56 5.32 0.00 -1.23 -2.70 120.51 122.60 1hk6 n ALA 57 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1hk6 n ALA 57 Cb 0.61 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1hk6 n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hk6 n SER 58 N 1.07 -0.10 -3.64 0.00 3.41 -1.26 -3.13 113.62 109.96 1hk6 n SER 58 Ca 0.00 -0.21 -0.05 0.00 -0.26 0.00 0.00 58.87 58.35 1hk6 n SER 58 Cb 0.37 0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1hk6 s LYS 59 N 0.00 0.53 -0.17 4.33 2.20 -1.10 -4.19 119.74 121.34 1hk6 s LYS 59 Ca 0.00 0.92 -0.07 0.00 -0.36 0.00 0.00 55.97 56.46 1hk6 s LYS 59 Cb 0.00 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.50 1hk6 s LYS 59 CO -0.00 -0.11 0.38 0.42 -0.36 0.00 0.00 175.35 175.67 1hk6 s ILE 60 N 1.46 -0.44 -0.03 5.43 1.01 -1.20 -3.12 121.20 124.30 1hk6 s ILE 60 Ca -0.09 0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 1hk6 s ILE 60 Cb -0.04 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1hk6 s ILE 60 CO -0.17 0.07 0.62 0.54 0.00 0.00 0.00 174.94 176.00 1hk6 s VAL 61 N 2.26 4.97 -0.13 2.92 0.11 -1.17 -2.48 120.40 126.88 1hk6 s VAL 61 Ca -0.03 1.29 -0.31 0.00 -2.93 0.00 0.00 61.98 60.00 1hk6 s VAL 61 Cb -0.11 -3.96 0.13 0.00 -1.53 0.00 0.00 36.38 30.91 1hk6 s VAL 61 CO -0.12 0.36 1.05 0.00 -3.33 0.00 0.00 175.10 173.06 1hk6 s ARG 63 N -2.17 4.53 0.27 0.00 0.52 -1.26 -3.55 118.95 117.29 1hk6 s ARG 63 Ca 0.05 1.13 -0.31 0.00 -0.52 0.00 0.00 55.73 56.08 1hk6 s ARG 63 Cb -0.01 -3.36 -0.12 0.00 0.52 0.00 0.00 34.95 31.98 1hk6 s ARG 63 CO -0.05 0.29 1.60 0.28 0.02 0.00 0.00 175.30 177.44 1hk6 n VAL 64 N 2.72 0.84 0.00 3.52 0.31 0.12 -4.97 118.33 120.86 1hk6 n VAL 64 Ca -0.02 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1hk6 n VAL 64 Cb 0.50 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 2.46 -1.16 3.64 2.92 0.00 -1.26 -4.34 105.19 107.45 1hk6 n GLY 65 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1hk6 n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hk6 s GLN 66 N 0.00 0.57 0.14 1.61 -2.07 -1.26 -4.71 119.66 113.93 1hk6 s GLN 66 Ca 0.00 0.77 -0.35 0.00 -1.82 0.00 0.00 55.36 53.96 1hk6 s GLN 66 Cb 0.00 0.23 -0.16 0.00 -1.09 0.00 0.00 33.01 31.99 1hk6 s GLN 66 CO 0.00 -0.08 1.32 0.00 -1.32 0.00 0.00 175.29 175.20 1hk6 n ALA 67 N 2.90 -0.44 0.00 2.60 0.00 -1.26 -4.39 120.51 119.92 1hk6 n ALA 67 Ca -0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1hk6 n ALA 67 Cb 0.56 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1hk6 n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hk6 n LYS 68 N 2.34 0.00 0.01 0.00 4.76 -0.71 -4.94 118.16 119.62 1hk6 n LYS 68 Ca 0.17 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.59 1hk6 n LYS 68 Cb 0.23 -0.20 -0.01 0.00 -1.84 0.00 0.00 35.03 33.22 1hk6 n LYS 68 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1hk6 h ASN 69 N 0.00 -0.10 0.00 4.39 2.35 -1.90 -3.49 115.58 116.83 1hk6 h ASN 69 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hk6 h ASN 69 Cb 0.39 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1hk6 h ASN 69 CO 0.00 0.24 0.00 -0.90 -1.65 0.00 0.00 177.43 175.12 1hk6 n ASP 70 N -4.00 0.00 0.00 5.81 5.68 -1.26 -5.13 116.55 117.65 1hk6 n ASP 70 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1hk6 n ASP 70 Cb 0.05 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hk6 n LYS 71 N -1.57 0.00 -2.02 0.11 5.02 -1.26 -5.04 118.16 113.40 1hk6 n LYS 71 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1hk6 n LYS 71 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hk6 n GLY 72 N 5.00 -0.92 3.73 0.72 0.00 -1.26 -4.70 105.19 107.76 1hk6 n GLY 72 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1hk6 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hk6 s ASP 73 N -0.05 6.46 -0.90 1.61 1.01 -1.26 -4.04 116.67 119.50 1hk6 s ASP 73 Ca 0.01 2.80 -0.21 0.00 0.71 0.00 0.00 52.55 55.86 1hk6 s ASP 73 Cb 0.02 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.42 1hk6 s ASP 73 CO -0.01 -0.88 1.22 -0.63 0.21 0.00 0.00 175.17 175.08 1hk6 s ILE 74 N 0.67 4.32 0.14 0.77 1.01 -1.24 -4.05 121.20 122.83 1hk6 s ILE 74 Ca 0.68 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1hk6 s ILE 74 Cb -0.47 -4.87 -0.07 0.00 0.01 0.00 0.00 42.46 37.07 1hk6 s ILE 74 CO 0.38 -1.67 0.52 -0.63 0.00 0.00 0.00 174.94 173.54 1hk6 s ILE 75 N 3.90 4.91 -0.03 2.92 -1.09 -1.12 -4.55 121.20 126.14 1hk6 s ILE 75 Ca 0.35 0.71 -0.01 0.00 -2.23 0.00 0.00 60.65 59.48 1hk6 s ILE 75 Cb -0.06 -3.70 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1hk6 s ILE 75 CO -0.04 0.21 0.05 0.54 -1.23 0.00 0.00 174.94 174.47 1hk6 s VAL 76 N -1.50 -0.07 -0.05 2.92 0.11 -1.26 -2.94 120.40 117.61 1hk6 s VAL 76 Ca 0.38 0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 59.64 1hk6 s VAL 76 Cb -0.14 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1hk6 s VAL 76 CO 0.19 0.10 0.15 -0.89 -3.33 0.00 0.00 175.10 171.33 1hk6 s THR 77 N 1.26 5.36 -0.00 5.04 2.01 -0.10 -2.41 115.64 126.79 1hk6 s THR 77 Ca -0.07 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1hk6 s THR 77 Cb -0.13 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1hk6 s THR 77 CO -0.03 0.44 -0.12 0.42 -0.69 0.00 0.00 174.62 174.63 1hk6 s THR 78 N -1.20 0.98 0.15 -0.82 -4.23 -1.18 -3.76 115.64 105.58 1hk6 s THR 78 Ca 0.22 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 59.98 1hk6 s THR 78 Cb -0.12 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 72.90 1hk6 s THR 78 CO 0.13 0.24 1.75 0.11 -0.54 0.00 0.00 174.62 176.30 1hk6 h LYS 79 N 5.72 0.23 0.37 3.99 1.57 -1.75 -3.00 116.57 123.70 1hk6 h LYS 79 Ca -0.34 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1hk6 h LYS 79 Cb 1.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1hk6 h LYS 79 CO 0.48 0.15 -0.18 0.77 -0.57 0.00 0.00 179.45 180.10 1hk6 h SER 80 N 0.23 -0.43 0.00 0.86 0.02 -1.97 -3.44 113.55 108.83 1hk6 h SER 80 Ca 0.15 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1hk6 h SER 80 Cb 0.13 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1hk6 h SER 80 CO -0.16 -0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.01 1hk6 n GLY 81 N -0.65 0.75 0.00 -3.77 0.00 -1.14 -5.14 105.19 95.24 1hk6 n GLY 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 5.00 2.52 3.65 -0.02 0.00 -1.18 -4.73 105.19 110.42 1hk6 n GLY 82 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 4.77 3.98 0.00 1.61 2.20 -1.26 -3.12 119.74 127.92 1hk6 s LYS 83 Ca 0.00 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 1hk6 s LYS 83 Cb 0.00 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 1hk6 s LYS 83 CO 0.00 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 1hk6 n GLY 84 N 4.47 0.03 3.40 5.54 0.00 -1.01 -4.86 105.19 112.76 1hk6 n GLY 84 Ca 0.19 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 1hk6 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hk6 s THR 85 N 0.00 0.02 -0.25 2.61 -4.23 -0.05 -4.90 115.64 108.84 1hk6 s THR 85 Ca 0.00 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.18 1hk6 s THR 85 Cb 0.00 -0.87 0.08 0.00 1.34 0.00 0.00 72.50 73.06 1hk6 s THR 85 CO 0.00 -0.11 0.59 -0.94 -0.54 0.00 0.00 174.62 173.62 1hk6 s SER 86 N -1.36 -0.82 -0.54 3.99 1.04 -1.26 -1.77 113.70 112.98 1hk6 s SER 86 Ca -0.11 1.33 0.01 0.00 0.48 0.00 0.00 55.95 57.66 1hk6 s SER 86 Cb -0.02 1.38 0.45 0.00 0.10 0.00 0.00 66.02 67.93 1hk6 s SER 86 CO 0.06 -0.22 1.72 0.35 0.98 0.00 0.00 173.24 176.12 1hk6 n THR 87 N 4.57 3.21 -3.78 2.02 -2.24 -1.25 -4.74 114.28 112.07 1hk6 n THR 87 Ca -0.19 -3.50 -0.13 0.00 -2.27 0.00 0.00 64.05 57.96 1hk6 n THR 87 Cb 0.56 -1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 1hk6 n THR 87 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1hk6 s VAL 88 N -4.78 0.06 -0.01 2.28 -7.23 -1.26 -5.08 120.40 104.38 1hk6 s VAL 88 Ca 0.59 -0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1hk6 s VAL 88 Cb 0.47 -0.57 0.01 0.00 0.56 0.00 0.00 36.38 36.85 1hk6 s VAL 88 CO -0.02 -0.26 0.01 -0.55 -0.31 0.00 0.00 175.10 173.98 1hk6 s SER 89 N -1.21 0.01 -0.05 4.85 0.15 -1.26 -3.63 113.70 112.56 1hk6 s SER 89 Ca -0.13 0.02 -0.25 0.00 0.70 0.00 0.00 55.95 56.30 1hk6 s SER 89 Cb -0.05 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1hk6 s SER 89 CO 0.03 -0.04 0.76 0.12 1.20 0.00 0.00 173.24 175.32 1hk6 s PHE 90 N 0.29 3.59 -0.08 3.44 5.36 -1.26 -4.99 117.98 124.34 1hk6 s PHE 90 Ca -0.02 1.34 -0.30 0.00 -0.96 0.00 0.00 56.93 56.99 1hk6 s PHE 90 Cb -0.03 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 1hk6 s PHE 90 CO -0.01 0.07 1.11 0.21 -1.46 0.00 0.00 175.22 175.14 1hk6 s LYS 91 N 0.85 4.38 -0.20 10.12 2.20 -1.26 -4.90 119.74 130.92 1hk6 s LYS 91 Ca 0.40 1.54 -0.18 0.00 -0.36 0.00 0.00 55.97 57.38 1hk6 s LYS 91 Cb -0.18 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1hk6 s LYS 91 CO 0.20 -0.40 0.48 -0.51 -0.36 0.00 0.00 175.35 174.77 1hk6 s LEU 92 N 2.15 4.15 -0.01 5.43 1.43 -1.26 -2.97 118.68 127.61 1hk6 s LEU 92 Ca 0.52 0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 54.05 1hk6 s LEU 92 Cb -0.22 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 1hk6 s LEU 92 CO 0.20 -0.15 0.57 -0.76 0.23 0.00 0.00 176.35 176.44 1hk6 s LEU 93 N 1.53 4.42 0.22 1.79 1.43 -1.14 -4.93 118.68 122.00 1hk6 s LEU 93 Ca 0.23 1.12 -0.31 0.00 -1.03 0.00 0.00 54.13 54.14 1hk6 s LEU 93 Cb -0.15 -2.87 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 1hk6 s LEU 93 CO 0.09 0.12 1.51 -0.54 0.23 0.00 0.00 176.35 177.77 1hk6 s LYS 94 N -0.25 4.22 0.22 1.70 1.02 -1.26 -4.14 119.74 121.26 1hk6 s LYS 94 Ca 0.30 2.37 -0.32 0.00 0.02 0.00 0.00 55.97 58.34 1hk6 s LYS 94 Cb -0.18 -3.11 -0.12 0.00 -0.52 0.00 0.00 37.83 33.90 1hk6 s LYS 94 CO 0.16 -0.53 1.72 -2.14 -0.92 0.00 0.00 175.35 173.65 1hk6 s PRO 95 N 0.20 4.12 -0.28 -1.68 0.02 -1.26 -4.92 135.00 131.20 1hk6 s PRO 95 Ca 0.64 2.62 -0.29 0.00 0.02 0.00 0.00 61.00 63.99 1hk6 s PRO 95 Cb -0.43 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.01 1hk6 s PRO 95 CO 0.39 -0.75 1.38 -2.00 -0.33 0.00 0.00 177.00 175.70 1hk6 s GLU 96 N 1.02 3.89 0.00 5.54 2.12 -1.26 -5.23 118.70 124.78 1hk6 s GLU 96 Ca 0.74 1.37 0.00 0.00 0.36 0.00 0.00 54.97 57.43 1hk6 s GLU 96 Cb -0.50 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 29.97 1hk6 s GLU 96 CO 0.34 -1.16 0.45 1.63 -0.54 0.00 0.00 175.26 175.97