#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 0.24 -0.35 1.57 -2.45 -1.26 -5.11 119.30 111.95 1hk6 s MET 4 Ca 0.00 0.35 -0.27 0.00 -1.25 0.00 0.00 55.69 54.51 1hk6 s MET 4 Cb 0.00 0.09 -0.05 0.00 1.25 0.00 0.00 34.83 36.12 1hk6 s MET 4 CO 0.00 -0.04 2.18 1.03 1.05 0.00 0.00 175.02 179.24 1hk6 s ARG 5 N 0.63 2.82 0.18 4.11 0.52 -1.26 -4.95 118.95 121.00 1hk6 s ARG 5 Ca -0.01 1.64 -0.26 0.00 -0.52 0.00 0.00 55.73 56.58 1hk6 s ARG 5 Cb -0.04 -4.41 -0.08 0.00 0.52 0.00 0.00 34.95 30.94 1hk6 s ARG 5 CO -0.12 -2.47 0.80 -0.65 0.02 0.00 0.00 175.30 172.88 1hk6 s GLN 6 N 6.86 4.59 0.44 3.54 -1.52 -1.26 -4.98 119.66 127.33 1hk6 s GLN 6 Ca 0.94 1.19 -0.25 0.00 -1.95 0.00 0.00 55.36 55.29 1hk6 s GLN 6 Cb -0.25 -3.24 -0.08 0.00 -0.22 0.00 0.00 33.01 29.22 1hk6 s GLN 6 CO 0.31 0.55 1.38 -1.25 -0.25 0.00 0.00 175.29 176.03 1hk6 s PRO 7 N -1.21 3.77 0.32 2.91 0.04 -1.26 -4.94 135.00 134.64 1hk6 s PRO 7 Ca 0.37 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.43 1hk6 s PRO 7 Cb -0.23 -2.67 -0.12 0.00 0.04 0.00 0.00 34.50 31.51 1hk6 s PRO 7 CO 0.27 -0.71 1.42 -0.35 0.04 0.00 0.00 177.00 177.67 1hk6 n PRO 8 N -0.11 2.36 -4.37 0.56 -0.04 -1.26 -4.83 135.00 127.31 1hk6 n PRO 8 Ca 0.05 0.83 -0.29 0.00 -0.04 0.00 0.00 63.50 64.05 1hk6 n PRO 8 Cb 0.43 -2.51 -0.17 0.00 -0.04 0.00 0.00 33.50 31.21 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 -0.93 1.73 0.06 1.53 1.98 -0.92 -2.45 118.68 119.67 1hk6 s LEU 9 Ca 0.59 -0.45 -0.22 0.00 -2.89 0.00 0.00 54.13 51.16 1hk6 s LEU 9 Cb -0.55 -1.12 -0.06 0.00 0.66 0.00 0.00 46.19 45.12 1hk6 s LEU 9 CO 0.57 0.00 0.67 -0.69 -1.89 0.00 0.00 176.35 175.02 1hk6 s VAL 10 N 1.09 4.72 -0.34 1.68 1.01 -1.21 -0.33 120.40 127.01 1hk6 s VAL 10 Ca -0.04 1.43 0.14 0.00 0.00 0.00 0.00 61.98 63.51 1hk6 s VAL 10 Cb -0.14 -4.01 0.43 0.00 0.00 0.00 0.00 36.38 32.65 1hk6 s VAL 10 CO -0.04 0.45 1.29 0.35 0.00 0.00 0.00 175.10 177.15 1hk6 n THR 11 N 2.32 0.42 -3.64 3.92 -2.24 0.28 -3.56 114.28 111.78 1hk6 n THR 11 Ca -0.06 -1.92 -0.03 0.00 -2.27 0.00 0.00 64.05 59.77 1hk6 n THR 11 Cb 0.50 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.02 0.20 -0.28 3.38 0.00 -0.42 -4.80 107.32 103.38 1hk6 s GLY 12 Ca 0.20 3.16 -0.15 0.00 0.00 0.00 0.00 44.72 47.93 1hk6 s GLY 12 CO -0.07 1.59 0.72 -1.50 0.00 0.00 0.00 173.10 173.84 1hk6 s ILE 13 N -0.40 -0.11 0.05 0.90 2.07 -1.26 -2.04 121.20 120.40 1hk6 s ILE 13 Ca 0.07 0.00 -0.32 0.00 -1.41 0.00 0.00 60.65 58.99 1hk6 s ILE 13 Cb -0.03 -1.00 -0.18 0.00 0.13 0.00 0.00 42.46 41.37 1hk6 s ILE 13 CO -0.12 0.00 1.47 -1.28 -1.91 0.00 0.00 174.94 173.10 1hk6 h SER 14 N 7.01 -0.81 0.00 4.50 0.87 -1.96 -3.45 113.55 119.71 1hk6 h SER 14 Ca -0.28 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1hk6 h SER 14 Cb 1.21 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1hk6 h SER 14 CO 0.16 -0.52 0.00 -0.81 -0.53 0.00 0.00 176.83 175.13 1hk6 n PRO 15 N -5.47 1.67 0.00 2.24 -0.04 -1.26 -5.04 135.00 127.10 1hk6 n PRO 15 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1hk6 n PRO 15 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1hk6 n PRO 15 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1hk6 n ASN 16 N 0.00 0.00 -3.69 3.54 2.85 -1.26 -5.09 115.26 111.62 1hk6 n ASN 16 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1hk6 n ASN 16 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1hk6 s GLU 17 N -0.56 0.47 0.00 1.20 -1.05 -1.26 -3.79 118.70 113.71 1hk6 s GLU 17 Ca 0.00 0.87 0.00 0.00 -0.15 0.00 0.00 54.97 55.69 1hk6 s GLU 17 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1hk6 s GLU 17 CO 0.00 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.47 1hk6 n GLY 18 N 4.15 1.26 3.37 -3.83 0.00 -1.20 -4.91 105.19 104.04 1hk6 n GLY 18 Ca -0.22 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.15 0.00 -0.28 -0.61 -5.35 -1.24 -1.87 119.36 109.87 1hk6 n ILE 19 Ca 0.00 -0.22 0.08 0.00 -0.27 0.00 0.00 62.75 62.34 1hk6 n ILE 19 Cb 0.00 -0.61 0.23 0.00 -1.74 0.00 0.00 39.64 37.52 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 -1.70 0.40 0.00 6.28 0.11 -1.83 0.14 132.00 135.39 1hk6 h PRO 20 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hk6 h PRO 20 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1hk6 h PRO 20 CO 0.35 0.26 0.00 0.91 -0.21 0.00 0.00 178.00 179.32 1hk6 n TRP 21 N -5.04 0.00 -2.10 0.65 7.02 -1.26 -2.84 117.44 113.87 1hk6 n TRP 21 Ca 0.17 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.23 1hk6 n TRP 21 Cb 0.51 -0.28 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 1hk6 n TRP 21 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1hk6 s THR 22 N -2.56 3.25 0.26 -0.99 2.01 0.48 -4.83 115.64 113.26 1hk6 s THR 22 Ca 0.15 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.67 1hk6 s THR 22 Cb 0.11 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 1hk6 s THR 22 CO 0.24 0.03 1.16 -0.75 -0.69 0.00 0.00 174.62 174.62 1hk6 s LYS 23 N 1.74 4.55 -0.05 4.92 2.20 -1.26 -3.33 119.74 128.51 1hk6 s LYS 23 Ca 0.67 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1hk6 s LYS 23 Cb -0.37 -3.18 0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1hk6 s LYS 23 CO 0.30 0.06 -0.01 0.14 -0.36 0.00 0.00 175.35 175.47 1hk6 s VAL 24 N -0.85 0.35 -0.15 4.02 -7.23 -1.06 -4.84 120.40 110.64 1hk6 s VAL 24 Ca 0.48 0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 60.45 1hk6 s VAL 24 Cb -0.34 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 1hk6 s VAL 24 CO 0.42 0.20 0.70 -0.89 -0.31 0.00 0.00 175.10 175.23 1hk6 s THR 25 N 1.25 4.99 0.12 5.32 2.01 -1.26 -3.20 115.64 124.87 1hk6 s THR 25 Ca -0.06 1.38 -0.23 0.00 0.31 0.00 0.00 61.69 63.09 1hk6 s THR 25 Cb -0.13 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.28 1hk6 s THR 25 CO -0.02 0.13 0.70 -0.63 -0.69 0.00 0.00 174.62 174.11 1hk6 s ILE 26 N 1.64 4.54 -0.06 1.82 1.01 -0.69 -3.70 121.20 125.77 1hk6 s ILE 26 Ca 0.34 1.53 -0.03 0.00 0.00 0.00 0.00 60.65 62.49 1hk6 s ILE 26 Cb -0.16 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1hk6 s ILE 26 CO 0.13 0.51 0.13 -0.13 0.00 0.00 0.00 174.94 175.58 1hk6 s ARG 27 N -0.98 0.08 0.00 2.79 1.81 -0.87 -2.53 118.95 119.26 1hk6 s ARG 27 Ca 0.34 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.68 1hk6 s ARG 27 Cb -0.22 -0.17 0.00 0.00 -0.45 0.00 0.00 34.95 34.12 1hk6 s ARG 27 CO 0.23 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.11 1hk6 n GLY 28 N 4.12 1.83 2.97 -3.53 0.00 -1.25 -0.56 105.19 108.77 1hk6 n GLY 28 Ca -0.26 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 4.15 0.12 -1.31 1.61 0.41 0.55 -4.80 118.70 119.44 1hk6 s GLU 29 Ca 0.00 0.29 -0.06 0.00 -0.41 0.00 0.00 54.97 54.80 1hk6 s GLU 29 Cb 0.00 -0.07 0.01 0.00 -1.78 0.00 0.00 34.13 32.29 1hk6 s GLU 29 CO 0.00 -0.10 1.12 0.09 -0.49 0.00 0.00 175.26 175.88 1hk6 n ASN 30 N 3.68 -4.86 -2.29 -0.19 3.02 -1.24 -2.17 115.26 111.21 1hk6 n ASN 30 Ca -0.20 -0.57 -0.19 0.00 -0.03 0.00 0.00 54.58 53.58 1hk6 n ASN 30 Cb 0.55 -5.05 -0.12 0.00 -0.61 0.00 0.00 39.78 34.55 1hk6 n ASN 30 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hk6 n LEU 31 N -4.71 5.95 -0.43 3.41 4.32 -1.24 -4.18 117.00 120.12 1hk6 n LEU 31 Ca -0.09 -3.58 0.00 0.00 -0.02 0.00 0.00 56.01 52.31 1hk6 n LEU 31 Cb 0.60 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 1hk6 n LEU 31 CO 0.64 1.75 -0.05 0.61 -1.22 0.00 0.00 177.39 179.12 1hk6 n GLY 32 N 2.09 -3.67 1.77 -0.72 0.00 -1.26 -4.61 105.19 98.79 1hk6 n GLY 32 Ca 0.48 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1hk6 n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hk6 n THR 33 N -0.09 2.53 0.00 2.61 -2.24 -1.26 -4.47 114.28 111.36 1hk6 n THR 33 Ca 0.00 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1hk6 n THR 33 Cb 0.00 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 1hk6 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hk6 n GLY 34 N 0.50 2.82 0.21 3.38 0.00 -1.26 -4.96 105.19 105.87 1hk6 n GLY 34 Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 1hk6 n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hk6 h PRO 35 N 0.00 0.48 -0.76 1.61 0.13 -1.95 -1.98 132.00 129.53 1hk6 h PRO 35 Ca 0.00 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1hk6 h PRO 35 Cb 0.00 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 30.98 1hk6 h PRO 35 CO 0.00 0.32 0.47 1.79 -0.23 0.00 0.00 178.00 180.35 1hk6 h THR 36 N 0.50 1.21 -0.84 1.56 1.35 -1.99 -2.38 112.91 112.32 1hk6 h THR 36 Ca 0.22 -0.44 0.04 0.00 -0.55 0.00 0.00 66.41 65.68 1hk6 h THR 36 Cb 0.13 0.13 -0.05 0.00 -1.73 0.00 0.00 68.15 66.62 1hk6 h THR 36 CO -0.16 0.21 0.53 -0.78 -0.25 0.00 0.00 175.52 175.08 1hk6 h ASP 37 N 1.04 0.86 -0.18 5.36 3.58 -1.74 -3.32 116.42 122.02 1hk6 h ASP 37 Ca 0.27 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.31 1hk6 h ASP 37 Cb -0.06 -0.18 0.03 0.00 1.72 0.00 0.00 39.33 40.83 1hk6 h ASP 37 CO -0.05 0.58 1.30 -0.11 -2.88 0.00 0.00 179.24 178.08 1hk6 n LEU 38 N -4.59 2.72 0.05 2.28 0.00 -0.90 -0.59 117.00 115.98 1hk6 n LEU 38 Ca 0.11 -2.69 -0.21 0.00 0.00 0.00 0.00 56.01 53.22 1hk6 n LEU 38 Cb 0.12 -1.34 -0.11 0.00 0.00 0.00 0.00 43.42 42.08 1hk6 n LEU 38 CO 0.33 -1.75 0.05 0.16 0.00 0.00 0.00 177.39 176.18 1hk6 h ILE 39 N 5.56 1.30 -4.36 1.96 3.07 -1.68 -3.46 117.51 119.89 1hk6 h ILE 39 Ca 0.25 -2.30 -0.65 0.00 1.55 0.00 0.00 64.86 63.71 1hk6 h ILE 39 Cb 0.83 2.52 -0.28 0.00 -0.27 0.00 0.00 36.82 39.62 1hk6 h ILE 39 CO 1.54 0.70 -0.87 -0.83 -1.05 0.00 0.00 178.15 177.65 1hk6 s GLY 40 N -4.32 1.24 -0.15 0.16 0.00 -1.22 -4.99 107.32 98.05 1hk6 s GLY 40 Ca -0.10 -1.12 -0.09 0.00 0.00 0.00 0.00 44.72 43.40 1hk6 s GLY 40 CO 0.91 -0.99 0.36 -2.27 0.00 0.00 0.00 173.10 171.11 1hk6 s LEU 41 N -0.95 0.23 -0.12 0.66 1.98 -1.26 -0.31 118.68 118.90 1hk6 s LEU 41 Ca 0.10 0.76 -0.06 0.00 -2.89 0.00 0.00 54.13 52.04 1hk6 s LEU 41 Cb -0.09 1.18 0.05 0.00 0.66 0.00 0.00 46.19 47.99 1hk6 s LEU 41 CO 0.01 -0.17 0.28 0.42 -1.89 0.00 0.00 176.35 175.00 1hk6 s THR 42 N 1.01 -0.14 -0.20 3.68 -4.23 -0.94 -2.25 115.64 112.58 1hk6 s THR 42 Ca -0.07 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1hk6 s THR 42 Cb -0.07 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 1hk6 s THR 42 CO -0.08 0.07 0.01 -0.63 -0.54 0.00 0.00 174.62 173.45 1hk6 s ILE 43 N 1.58 4.01 -1.48 2.99 1.01 -0.09 -2.24 121.20 126.97 1hk6 s ILE 43 Ca -0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 1hk6 s ILE 43 Cb -0.10 -2.81 0.06 0.00 0.01 0.00 0.00 42.46 39.62 1hk6 s ILE 43 CO -0.09 0.43 0.99 0.00 0.00 0.00 0.00 174.94 176.27 1hk6 n GLY 45 N -1.73 -0.26 2.98 0.00 0.00 -1.26 -0.96 105.19 103.97 1hk6 n GLY 45 Ca -0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.00 1.11 0.19 1.61 5.65 -0.30 -4.65 115.29 115.90 1hk6 s HIS 46 Ca 0.20 -0.34 -0.31 0.00 0.25 0.00 0.00 55.06 54.85 1hk6 s HIS 46 Cb -0.09 -0.83 -0.11 0.00 -1.18 0.00 0.00 32.58 30.37 1hk6 s HIS 46 CO 0.25 -0.19 1.59 1.21 -0.65 0.00 0.00 174.74 176.94 1hk6 s ASN 47 N 0.55 6.53 -0.24 9.88 3.84 -1.26 -0.91 114.94 133.33 1hk6 s ASN 47 Ca -0.10 2.70 0.14 0.00 0.21 0.00 0.00 52.86 55.81 1hk6 s ASN 47 Cb -0.13 -2.60 0.36 0.00 -0.55 0.00 0.00 41.25 38.33 1hk6 s ASN 47 CO 0.02 -0.85 1.34 0.00 -2.79 0.00 0.00 177.10 174.82 1hk6 h LEU 49 N 1.16 0.43 -0.99 0.00 7.12 -1.90 -0.34 115.31 120.79 1hk6 h LEU 49 Ca -0.39 -0.62 0.10 0.00 0.13 0.00 0.00 57.88 57.09 1hk6 h LEU 49 Cb 1.35 -0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 41.28 1hk6 h LEU 49 CO -0.11 0.97 0.63 0.17 -0.13 0.00 0.00 178.44 179.97 1hk6 h LEU 50 N -0.10 0.95 0.19 2.25 -0.00 -1.93 -2.27 115.31 114.41 1hk6 h LEU 50 Ca -0.01 0.03 -0.31 0.00 -0.00 0.00 0.00 57.88 57.59 1hk6 h LEU 50 Cb 0.94 -0.16 0.02 0.00 -0.00 0.00 0.00 40.66 41.46 1hk6 h LEU 50 CO 0.07 0.55 -1.37 0.71 -0.00 0.00 0.00 178.44 178.40 1hk6 h THR 51 N 1.05 1.39 -3.01 0.15 1.35 -1.95 -3.45 112.91 108.43 1hk6 h THR 51 Ca 0.46 -2.88 -0.54 0.00 -0.55 0.00 0.00 66.41 62.90 1hk6 h THR 51 Cb 0.35 3.00 0.08 0.00 -1.73 0.00 0.00 68.15 69.84 1hk6 h THR 51 CO -0.23 0.85 0.85 0.00 -0.25 0.00 0.00 175.52 176.75 1hk6 n ALA 52 N -2.63 2.29 -3.24 6.62 0.00 -0.14 -4.70 120.51 118.72 1hk6 n ALA 52 Ca -0.13 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 1hk6 n ALA 52 Cb 1.07 -2.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.13 1.87 0.58 0.00 2.56 0.18 -4.91 118.70 118.86 1hk6 s GLU 53 Ca 0.67 -0.53 -0.18 0.00 0.00 0.00 0.00 54.97 54.93 1hk6 s GLU 53 Cb -0.53 -1.54 -0.04 0.00 2.00 0.00 0.00 34.13 34.01 1hk6 s GLU 53 CO 0.45 0.12 1.12 -0.46 -0.56 0.00 0.00 175.26 175.93 1hk6 s TRP 54 N 0.41 2.66 0.00 5.30 -0.00 -1.26 -2.11 118.94 123.94 1hk6 s TRP 54 Ca -0.11 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 1hk6 s TRP 54 Cb -0.14 -3.25 0.00 0.00 -0.00 0.00 0.00 33.47 30.08 1hk6 s TRP 54 CO 0.04 -1.59 0.00 -1.33 -0.00 0.00 0.00 176.95 174.07 1hk6 n MET 55 N -1.63 0.00 -0.58 5.86 2.81 -1.12 -4.86 117.12 117.60 1hk6 n MET 55 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1hk6 n MET 55 Cb 0.51 -0.22 0.00 0.00 -0.71 0.00 0.00 33.22 32.80 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1hk6 n SER 56 N -2.00 0.00 -1.42 7.83 3.41 -1.08 -4.94 113.62 115.42 1hk6 n SER 56 Ca 0.00 -0.49 -0.04 0.00 -0.26 0.00 0.00 58.87 58.08 1hk6 n SER 56 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1hk6 n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hk6 n ALA 57 N -3.00 3.72 0.00 7.33 0.00 -1.26 -4.05 120.51 123.25 1hk6 n ALA 57 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1hk6 n ALA 57 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.84 0.00 -4.73 0.00 3.41 -1.26 -3.67 113.62 108.21 1hk6 n SER 58 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.27 1hk6 n SER 58 Cb 0.57 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.34 4.59 -0.23 4.33 2.20 -1.25 -3.64 119.74 124.40 1hk6 s LYS 59 Ca 0.00 1.58 -0.03 0.00 -0.36 0.00 0.00 55.97 57.16 1hk6 s LYS 59 Cb 0.00 -3.36 0.13 0.00 -1.51 0.00 0.00 37.83 33.09 1hk6 s LYS 59 CO 0.00 0.04 0.38 0.42 -0.36 0.00 0.00 175.35 175.83 1hk6 s ILE 60 N 0.30 -0.61 -0.10 5.43 1.01 -1.05 -2.63 121.20 123.56 1hk6 s ILE 60 Ca 0.51 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.84 1hk6 s ILE 60 Cb -0.26 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1hk6 s ILE 60 CO 0.31 -0.09 0.99 -0.69 0.00 0.00 0.00 174.94 175.47 1hk6 s VAL 61 N 2.55 4.80 -0.29 2.92 1.01 -0.90 -1.70 120.40 128.80 1hk6 s VAL 61 Ca 0.10 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 63.93 1hk6 s VAL 61 Cb -0.15 -4.31 0.15 0.00 0.00 0.00 0.00 36.38 32.08 1hk6 s VAL 61 CO -0.15 0.03 1.04 0.00 0.00 0.00 0.00 175.10 176.01 1hk6 s ARG 63 N 1.12 4.29 0.00 0.00 1.70 -1.26 -2.57 118.95 122.23 1hk6 s ARG 63 Ca -0.07 0.84 0.00 0.00 -0.47 0.00 0.00 55.73 56.03 1hk6 s ARG 63 Cb -0.04 -3.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 1hk6 s ARG 63 CO -0.13 0.61 0.00 1.33 -1.08 0.00 0.00 175.30 176.02 1hk6 n VAL 64 N 1.60 0.00 0.00 4.99 0.24 -1.19 -4.94 118.33 119.03 1hk6 n VAL 64 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1hk6 n VAL 64 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1hk6 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hk6 n GLY 65 N 1.82 0.37 3.65 7.63 0.00 -1.13 -4.65 105.19 112.88 1hk6 n GLY 65 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 0.23 -1.57 1.61 -2.07 -1.26 -4.67 119.66 111.93 1hk6 s GLN 66 Ca 0.00 0.31 -0.11 0.00 -1.82 0.00 0.00 55.36 53.74 1hk6 s GLN 66 Cb 0.00 0.09 -0.07 0.00 -1.09 0.00 0.00 33.01 31.94 1hk6 s GLN 66 CO 0.00 -0.03 2.81 0.00 -1.32 0.00 0.00 175.29 176.75 1hk6 n ALA 67 N 2.35 7.12 -0.29 2.60 0.00 -1.26 -4.69 120.51 126.34 1hk6 n ALA 67 Ca -0.13 -3.53 0.11 0.00 0.00 0.00 0.00 53.44 49.89 1hk6 n ALA 67 Cb 0.57 -3.39 0.27 0.00 0.00 0.00 0.00 19.45 16.89 1hk6 n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1hk6 h LYS 68 N 5.23 0.40 0.00 0.00 3.11 -1.63 -3.34 116.57 120.34 1hk6 h LYS 68 Ca 0.81 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.63 1hk6 h LYS 68 Cb 0.34 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1hk6 h LYS 68 CO 1.79 0.26 0.00 -1.71 -2.81 0.00 0.00 179.45 176.99 1hk6 n ASN 69 N -5.04 0.00 0.01 4.20 2.85 -0.13 -4.98 115.26 112.17 1hk6 n ASN 69 Ca 0.20 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1hk6 n ASN 69 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1hk6 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1hk6 n ASP 70 N 0.00 -0.13 0.07 1.20 -0.08 -1.25 -4.97 116.55 111.39 1hk6 n ASP 70 Ca 0.00 0.05 -0.18 0.00 -1.51 0.00 0.00 54.79 53.15 1hk6 n ASP 70 Cb 0.00 0.30 -0.09 0.00 2.34 0.00 0.00 41.12 43.67 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1hk6 h LYS 71 N 0.00 0.57 -0.23 -0.67 3.64 -1.97 -3.48 116.57 114.42 1hk6 h LYS 71 Ca 0.00 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1hk6 h LYS 71 Cb 0.00 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1hk6 h LYS 71 CO 0.00 1.27 0.00 0.41 -2.27 0.00 0.00 179.45 178.86 1hk6 n GLY 72 N 1.14 1.11 3.74 5.01 0.00 -1.26 -4.57 105.19 110.36 1hk6 n GLY 72 Ca -0.10 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.31 7.19 -0.89 1.61 1.01 -1.26 -2.16 116.67 119.86 1hk6 s ASP 73 Ca 0.00 2.16 -0.21 0.00 0.71 0.00 0.00 52.55 55.21 1hk6 s ASP 73 Cb 0.00 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.41 1hk6 s ASP 73 CO 0.00 -0.28 1.21 -0.63 0.21 0.00 0.00 175.17 175.68 1hk6 s ILE 74 N -0.24 4.33 0.11 0.77 1.01 -1.26 -2.96 121.20 122.97 1hk6 s ILE 74 Ca 0.50 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 1hk6 s ILE 74 Cb -0.31 -4.86 -0.07 0.00 0.01 0.00 0.00 42.46 37.23 1hk6 s ILE 74 CO 0.36 -1.66 0.67 -0.63 0.00 0.00 0.00 174.94 173.69 1hk6 s ILE 75 N 3.86 4.57 -0.05 2.92 1.09 -0.95 -4.44 121.20 128.20 1hk6 s ILE 75 Ca 0.35 1.46 -0.02 0.00 -1.10 0.00 0.00 60.65 61.34 1hk6 s ILE 75 Cb -0.06 -4.02 0.03 0.00 -1.06 0.00 0.00 42.46 37.36 1hk6 s ILE 75 CO -0.04 0.53 0.09 0.54 -0.10 0.00 0.00 174.94 175.95 1hk6 s VAL 76 N -1.06 -0.11 0.03 2.92 0.11 -1.26 -2.20 120.40 118.82 1hk6 s VAL 76 Ca 0.33 0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 59.58 1hk6 s VAL 76 Cb -0.21 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1hk6 s VAL 76 CO 0.23 0.12 0.33 -0.89 -3.33 0.00 0.00 175.10 171.55 1hk6 s THR 77 N 1.62 5.21 -0.00 5.04 2.01 0.58 -2.98 115.64 127.11 1hk6 s THR 77 Ca -0.03 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.37 1hk6 s THR 77 Cb -0.12 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1hk6 s THR 77 CO -0.04 0.37 -0.18 0.42 -0.69 0.00 0.00 174.62 174.50 1hk6 s THR 78 N -1.30 1.40 0.13 -0.82 -4.23 -1.13 -3.43 115.64 106.27 1hk6 s THR 78 Ca 0.29 -0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 59.78 1hk6 s THR 78 Cb -0.14 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 1hk6 s THR 78 CO 0.16 0.34 1.73 0.50 -0.54 0.00 0.00 174.62 176.81 1hk6 h LYS 79 N 5.54 0.12 0.34 3.99 1.63 -1.18 -3.07 116.57 123.93 1hk6 h LYS 79 Ca -0.38 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.40 1hk6 h LYS 79 Cb 1.15 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1hk6 h LYS 79 CO 0.47 0.08 -0.16 1.03 -3.45 0.00 0.00 179.45 177.42 1hk6 h SER 80 N 0.12 -0.38 0.00 4.20 0.87 -1.97 -3.45 113.55 112.95 1hk6 h SER 80 Ca 0.11 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1hk6 h SER 80 Cb 0.12 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1hk6 h SER 80 CO -0.16 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.76 1hk6 n GLY 81 N -0.22 0.85 0.00 5.77 0.00 -1.17 -5.11 105.19 105.32 1hk6 n GLY 81 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.46 3.65 -0.02 0.00 -1.19 -4.73 105.19 110.36 1hk6 n GLY 82 Ca 0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 4.00 4.06 0.00 1.61 2.20 -1.26 -2.83 119.74 127.51 1hk6 s LYS 83 Ca 0.00 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1hk6 s LYS 83 Cb 0.00 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1hk6 s LYS 83 CO 0.00 -0.96 0.00 0.41 -0.36 0.00 0.00 175.35 174.44 1hk6 n GLY 84 N 4.12 1.53 0.00 5.54 0.00 -1.16 -4.90 105.19 110.32 1hk6 n GLY 84 Ca 0.16 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1hk6 n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hk6 n THR 85 N 0.00 0.00 -3.60 2.61 -2.24 -1.03 -4.79 114.28 105.24 1hk6 n THR 85 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1hk6 n THR 85 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1hk6 n THR 85 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1hk6 s SER 86 N -0.78 -0.45 0.14 3.42 1.04 -1.26 -3.34 113.70 112.46 1hk6 s SER 86 Ca 0.00 0.70 -0.01 0.00 0.48 0.00 0.00 55.95 57.12 1hk6 s SER 86 Cb 0.00 1.26 -0.07 0.00 0.10 0.00 0.00 66.02 67.31 1hk6 s SER 86 CO 0.00 -0.11 1.33 0.71 0.98 0.00 0.00 173.24 176.15 1hk6 h THR 87 N 5.08 1.45 -3.68 2.02 1.35 -1.96 -3.44 112.91 113.74 1hk6 h THR 87 Ca -0.26 -2.57 -0.50 0.00 -0.55 0.00 0.00 66.41 62.53 1hk6 h THR 87 Cb 1.17 2.48 -0.03 0.00 -1.73 0.00 0.00 68.15 70.04 1hk6 h THR 87 CO 0.18 0.76 0.15 0.68 -0.25 0.00 0.00 175.52 177.04 1hk6 s VAL 88 N -3.20 4.54 -0.02 6.82 -7.23 -1.26 -5.08 120.40 114.98 1hk6 s VAL 88 Ca -0.04 1.27 0.01 0.00 -1.81 0.00 0.00 61.98 61.42 1hk6 s VAL 88 Cb 0.09 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 33.25 1hk6 s VAL 88 CO 0.85 0.06 -0.05 -0.44 -0.31 0.00 0.00 175.10 175.21 1hk6 s SER 89 N -1.85 0.80 0.02 4.85 0.01 -1.26 -4.07 113.70 112.20 1hk6 s SER 89 Ca 0.48 -0.11 -0.20 0.00 1.31 0.00 0.00 55.95 57.43 1hk6 s SER 89 Cb -0.15 -0.26 -0.06 0.00 0.21 0.00 0.00 66.02 65.77 1hk6 s SER 89 CO 0.20 0.01 0.57 0.12 0.41 0.00 0.00 173.24 174.55 1hk6 s PHE 90 N 0.41 3.72 -0.24 2.43 5.36 -0.92 -4.99 117.98 123.75 1hk6 s PHE 90 Ca -0.05 1.20 -0.09 0.00 -0.96 0.00 0.00 56.93 57.03 1hk6 s PHE 90 Cb -0.09 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 40.00 1hk6 s PHE 90 CO -0.00 0.44 0.12 0.21 -1.46 0.00 0.00 175.22 174.53 1hk6 s LYS 91 N -0.51 3.90 -0.01 10.12 2.20 -1.25 -4.67 119.74 129.52 1hk6 s LYS 91 Ca 0.30 -0.36 -0.25 0.00 -0.36 0.00 0.00 55.97 55.30 1hk6 s LYS 91 Cb -0.18 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1hk6 s LYS 91 CO 0.17 -0.03 0.75 -0.51 -0.36 0.00 0.00 175.35 175.37 1hk6 s LEU 92 N 1.26 4.38 0.02 5.43 1.02 -1.26 -3.22 118.68 126.31 1hk6 s LEU 92 Ca 0.06 1.34 -0.18 0.00 0.02 0.00 0.00 54.13 55.37 1hk6 s LEU 92 Cb -0.14 -3.18 -0.06 0.00 0.02 0.00 0.00 46.19 42.82 1hk6 s LEU 92 CO 0.05 -0.07 0.52 -0.76 0.02 0.00 0.00 176.35 176.11 1hk6 s LEU 93 N 0.43 4.47 0.24 1.79 1.43 -0.78 -4.86 118.68 121.39 1hk6 s LEU 93 Ca 0.39 1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.30 1hk6 s LEU 93 Cb -0.19 -2.79 -0.10 0.00 0.03 0.00 0.00 46.19 43.15 1hk6 s LEU 93 CO 0.21 0.23 1.36 -0.54 0.23 0.00 0.00 176.35 177.85 1hk6 s LYS 94 N -0.76 4.33 0.15 1.70 1.02 -1.26 -3.59 119.74 121.34 1hk6 s LYS 94 Ca 0.27 2.18 -0.33 0.00 0.02 0.00 0.00 55.97 58.11 1hk6 s LYS 94 Cb -0.18 -3.14 -0.13 0.00 -0.52 0.00 0.00 37.83 33.86 1hk6 s LYS 94 CO 0.16 -0.31 1.68 -2.30 -0.92 0.00 0.00 175.35 173.65 1hk6 n PRO 95 N 2.26 2.42 -2.24 -1.68 -0.02 -1.26 -4.90 135.00 129.58 1hk6 n PRO 95 Ca 0.06 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 1hk6 n PRO 95 Cb 0.42 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 1hk6 n PRO 95 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1hk6 s GLU 96 N 1.43 3.77 0.00 -0.52 2.12 -1.26 -5.20 118.70 119.04 1hk6 s GLU 96 Ca 0.79 1.40 0.11 0.00 0.36 0.00 0.00 54.97 57.64 1hk6 s GLU 96 Cb -0.60 -3.99 0.68 0.00 0.26 0.00 0.00 34.13 30.48 1hk6 s GLU 96 CO 0.37 -1.31 1.12 0.36 -0.54 0.00 0.00 175.26 175.25