#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 1.52 -3.65 -0.41 2.81 -1.26 -4.70 117.12 111.43 1hk6 n MET 4 Ca 0.00 -0.54 -0.01 0.00 -1.81 0.00 0.00 57.70 55.34 1hk6 n MET 4 Cb 0.00 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 30.89 1hk6 n MET 4 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1hk6 s ARG 5 N 0.60 0.19 0.04 0.03 6.06 -1.26 -4.94 118.95 119.67 1hk6 s ARG 5 Ca 0.36 0.32 -0.31 0.00 -2.50 0.00 0.00 55.73 53.60 1hk6 s ARG 5 Cb 0.17 0.05 -0.06 0.00 0.06 0.00 0.00 34.95 35.17 1hk6 s ARG 5 CO 0.00 -0.04 1.38 -0.65 -2.50 0.00 0.00 175.30 173.50 1hk6 s GLN 6 N 0.99 4.31 0.31 5.12 -0.21 -1.26 -4.74 119.66 124.18 1hk6 s GLN 6 Ca -0.06 1.99 -0.29 0.00 0.02 0.00 0.00 55.36 57.01 1hk6 s GLN 6 Cb -0.03 -3.45 -0.11 0.00 1.00 0.00 0.00 33.01 30.42 1hk6 s GLN 6 CO -0.12 -0.51 1.54 -2.14 -2.12 0.00 0.00 175.29 171.94 1hk6 s PRO 7 N 1.87 4.14 0.22 2.91 0.02 -1.26 -4.86 135.00 138.05 1hk6 s PRO 7 Ca 0.64 2.53 -0.32 0.00 0.02 0.00 0.00 61.00 63.87 1hk6 s PRO 7 Cb -0.33 -3.02 -0.14 0.00 0.02 0.00 0.00 34.50 31.03 1hk6 s PRO 7 CO 0.28 -0.57 1.39 -2.30 -0.33 0.00 0.00 177.00 175.47 1hk6 n PRO 8 N 1.75 1.92 -5.20 5.54 -0.02 -1.26 -4.77 135.00 132.96 1hk6 n PRO 8 Ca 0.06 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 1hk6 n PRO 8 Cb 0.38 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.23 2.12 -0.13 2.45 1.98 -0.91 -1.45 118.68 122.97 1hk6 s LEU 9 Ca 0.70 -0.54 -0.06 0.00 -2.89 0.00 0.00 54.13 51.33 1hk6 s LEU 9 Cb -0.68 -1.42 -0.04 0.00 0.66 0.00 0.00 46.19 44.71 1hk6 s LEU 9 CO 0.49 0.17 0.10 -0.69 -1.89 0.00 0.00 176.35 174.53 1hk6 s VAL 10 N 0.30 5.15 -0.36 1.68 1.01 -1.14 -0.01 120.40 127.03 1hk6 s VAL 10 Ca -0.17 0.08 0.14 0.00 0.00 0.00 0.00 61.98 62.02 1hk6 s VAL 10 Cb -0.18 -3.26 0.43 0.00 0.00 0.00 0.00 36.38 33.37 1hk6 s VAL 10 CO 0.08 0.57 1.21 0.35 0.00 0.00 0.00 175.10 177.32 1hk6 n THR 11 N 2.44 0.45 -3.65 3.92 -2.24 -0.89 -4.02 114.28 110.29 1hk6 n THR 11 Ca -0.19 -2.11 -0.02 0.00 -2.27 0.00 0.00 64.05 59.46 1hk6 n THR 11 Cb 0.54 0.90 -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 -2.07 0.25 -0.28 3.38 0.00 -1.03 -4.87 107.32 102.70 1hk6 s GLY 12 Ca 0.23 3.23 -0.16 0.00 0.00 0.00 0.00 44.72 48.02 1hk6 s GLY 12 CO -0.04 1.55 0.84 -1.50 0.00 0.00 0.00 173.10 173.94 1hk6 s ILE 13 N -0.48 0.00 0.00 0.90 2.07 -1.26 -3.05 121.20 119.39 1hk6 s ILE 13 Ca 0.08 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.08 1hk6 s ILE 13 Cb -0.03 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.42 1hk6 s ILE 13 CO -0.12 0.00 1.01 -1.28 -1.91 0.00 0.00 174.94 172.64 1hk6 h SER 14 N 6.46 -0.71 -3.41 4.50 0.87 -1.98 -3.42 113.55 115.86 1hk6 h SER 14 Ca -0.29 0.01 -0.59 0.00 -1.23 0.00 0.00 61.79 59.69 1hk6 h SER 14 Cb 1.21 0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 63.26 1hk6 h SER 14 CO 0.18 -0.32 0.06 -2.16 -0.53 0.00 0.00 176.83 174.07 1hk6 s PRO 15 N -4.38 4.25 0.26 2.24 0.04 -1.26 -4.94 135.00 131.21 1hk6 s PRO 15 Ca -0.13 0.60 0.23 0.00 0.04 0.00 0.00 61.00 61.75 1hk6 s PRO 15 Cb 0.01 -3.54 0.23 0.00 0.04 0.00 0.00 34.50 31.24 1hk6 s PRO 15 CO 0.39 -0.14 1.32 -0.97 0.04 0.00 0.00 177.00 177.64 1hk6 h ASN 16 N 7.30 0.00 -3.82 6.66 -0.73 -1.97 -3.47 115.58 119.56 1hk6 h ASN 16 Ca -0.34 -0.04 -0.07 0.00 1.87 0.00 0.00 56.30 57.72 1hk6 h ASN 16 Cb 1.15 0.00 -0.23 0.00 0.27 0.00 0.00 38.32 39.52 1hk6 h ASN 16 CO 0.76 0.02 -0.05 -1.83 -0.37 0.00 0.00 177.43 175.97 1hk6 s GLU 17 N -3.26 0.66 0.00 6.67 -1.05 -1.26 -3.65 118.70 116.81 1hk6 s GLU 17 Ca 0.04 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 55.70 1hk6 s GLU 17 Cb 0.09 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1hk6 s GLU 17 CO 0.73 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 177.25 1hk6 n GLY 18 N 3.00 1.54 3.43 -3.83 0.00 -1.20 -4.99 105.19 103.14 1hk6 n GLY 18 Ca -0.15 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.21 0.73 -0.34 -0.61 -5.35 -1.25 -3.26 119.36 109.07 1hk6 n ILE 19 Ca 0.00 -0.28 0.23 0.00 -0.27 0.00 0.00 62.75 62.44 1hk6 n ILE 19 Cb 0.00 -0.66 0.50 0.00 -1.74 0.00 0.00 39.64 37.73 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 -1.08 0.38 0.00 6.28 0.11 -1.83 0.25 132.00 136.11 1hk6 h PRO 20 Ca -0.44 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1hk6 h PRO 20 Cb 1.31 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1hk6 h PRO 20 CO 0.37 0.25 -0.20 -1.49 -0.21 0.00 0.00 178.00 176.72 1hk6 h TRP 21 N 0.39 0.00 -2.07 0.65 4.06 -1.88 0.14 115.95 117.24 1hk6 h TRP 21 Ca 0.65 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.97 1hk6 h TRP 21 Cb 1.59 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 29.81 1hk6 h TRP 21 CO -0.00 0.20 0.60 2.41 -3.56 0.00 0.00 178.44 178.09 1hk6 n THR 22 N -3.20 0.18 -2.03 1.49 -1.04 0.87 -4.63 114.28 105.91 1hk6 n THR 22 Ca 0.02 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 1hk6 n THR 22 Cb 0.54 -1.20 -0.02 0.00 -1.82 0.00 0.00 70.33 67.83 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 0.50 4.29 -0.04 -2.82 2.20 -1.26 -3.81 119.74 118.79 1hk6 s LYS 23 Ca 0.79 2.31 -0.02 0.00 -0.36 0.00 0.00 55.97 58.69 1hk6 s LYS 23 Cb -0.79 -3.06 0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1hk6 s LYS 23 CO 0.44 -0.30 0.08 0.14 -0.36 0.00 0.00 175.35 175.34 1hk6 s VAL 24 N -0.92 -0.10 -0.32 4.02 -7.23 -1.23 -4.82 120.40 109.80 1hk6 s VAL 24 Ca 0.52 0.29 -0.18 0.00 -1.81 0.00 0.00 61.98 60.80 1hk6 s VAL 24 Cb -0.42 -0.16 -0.01 0.00 0.56 0.00 0.00 36.38 36.35 1hk6 s VAL 24 CO 0.53 0.12 0.50 -0.89 -0.31 0.00 0.00 175.10 175.06 1hk6 s THR 25 N 1.59 5.04 0.23 5.32 2.01 -1.26 -3.86 115.64 124.72 1hk6 s THR 25 Ca -0.03 0.51 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1hk6 s THR 25 Cb -0.12 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1hk6 s THR 25 CO -0.04 -0.11 1.05 -0.63 -0.69 0.00 0.00 174.62 174.20 1hk6 s ILE 26 N 2.35 3.81 -0.02 1.82 1.01 -1.11 -4.10 121.20 124.96 1hk6 s ILE 26 Ca 0.19 1.72 -0.00 0.00 0.00 0.00 0.00 60.65 62.56 1hk6 s ILE 26 Cb -0.15 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1hk6 s ILE 26 CO 0.12 0.37 0.04 -0.13 0.00 0.00 0.00 174.94 175.34 1hk6 s ARG 27 N -0.98 -0.02 0.00 2.79 1.81 -1.17 -3.17 118.95 118.20 1hk6 s ARG 27 Ca 0.45 0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 1hk6 s ARG 27 Cb -0.29 -0.23 0.00 0.00 -0.45 0.00 0.00 34.95 33.98 1hk6 s ARG 27 CO 0.36 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.23 1hk6 n GLY 28 N 4.15 2.01 3.12 -3.53 0.00 -1.26 -2.09 105.19 107.59 1hk6 n GLY 28 Ca -0.27 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 4.38 0.26 -1.40 1.61 0.41 0.99 -4.77 118.70 120.19 1hk6 s GLU 29 Ca 0.00 0.53 -0.10 0.00 -0.41 0.00 0.00 54.97 55.00 1hk6 s GLU 29 Cb 0.00 -0.03 0.03 0.00 -1.78 0.00 0.00 34.13 32.35 1hk6 s GLU 29 CO 0.00 -0.13 1.09 0.09 -0.49 0.00 0.00 175.26 175.82 1hk6 n ASN 30 N 3.90 -5.32 -0.01 -0.19 3.02 -1.23 -2.14 115.26 113.29 1hk6 n ASN 30 Ca -0.22 -0.64 -0.09 0.00 -0.03 0.00 0.00 54.58 53.61 1hk6 n ASN 30 Cb 0.55 -4.62 0.07 0.00 -0.61 0.00 0.00 39.78 35.17 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 -2.41 0.62 -7.00 3.41 4.07 -1.90 -3.36 115.31 108.74 1hk6 h LEU 31 Ca -0.58 -0.30 0.21 0.00 0.08 0.00 0.00 57.88 57.29 1hk6 h LEU 31 Cb 1.37 -0.18 -0.33 0.00 1.08 0.00 0.00 40.66 42.60 1hk6 h LEU 31 CO 0.59 1.00 0.77 -0.83 -1.08 0.00 0.00 178.44 178.89 1hk6 s GLY 32 N -4.08 0.63 0.21 0.83 0.00 -1.26 -4.83 107.32 98.82 1hk6 s GLY 32 Ca -0.08 3.84 -0.07 0.00 0.00 0.00 0.00 44.72 48.41 1hk6 s GLY 32 CO 0.83 2.70 1.70 -0.91 0.00 0.00 0.00 173.10 177.43 1hk6 h THR 33 N 4.82 1.26 -0.89 0.90 1.35 -1.91 -3.26 112.91 115.18 1hk6 h THR 33 Ca -0.26 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 1hk6 h THR 33 Cb 1.16 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1hk6 h THR 33 CO 0.23 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1hk6 n GLY 34 N -0.58 2.39 0.07 5.82 0.00 -1.26 -4.74 105.19 106.89 1hk6 n GLY 34 Ca 0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1hk6 n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hk6 h PRO 35 N 0.00 0.09 -0.73 1.61 0.11 -1.92 -2.85 132.00 128.31 1hk6 h PRO 35 Ca 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1hk6 h PRO 35 Cb 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1hk6 h PRO 35 CO 0.00 0.14 0.30 1.79 -0.21 0.00 0.00 178.00 180.02 1hk6 h THR 36 N 0.02 1.24 -0.08 -1.15 1.35 -2.01 -3.05 112.91 109.24 1hk6 h THR 36 Ca 0.02 -0.76 0.03 0.00 -0.55 0.00 0.00 66.41 65.15 1hk6 h THR 36 Cb 0.07 0.37 -0.04 0.00 -1.73 0.00 0.00 68.15 66.83 1hk6 h THR 36 CO -0.00 0.31 -0.13 -0.78 -0.25 0.00 0.00 175.52 174.67 1hk6 h ASP 37 N 1.05 -0.39 -3.39 5.36 1.82 -1.92 -3.41 116.42 115.54 1hk6 h ASP 37 Ca 0.25 0.07 -0.52 0.00 -0.39 0.00 0.00 57.03 56.43 1hk6 h ASP 37 Cb 0.19 0.18 0.03 0.00 0.68 0.00 0.00 39.33 40.41 1hk6 h ASP 37 CO -0.02 -0.18 0.64 -0.22 -1.61 0.00 0.00 179.24 177.85 1hk6 s LEU 38 N -10.36 4.42 0.00 2.28 0.20 -1.09 -2.53 118.68 111.60 1hk6 s LEU 38 Ca -0.14 2.36 0.00 0.00 0.69 0.00 0.00 54.13 57.04 1hk6 s LEU 38 Cb 0.09 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 1hk6 s LEU 38 CO 0.67 -0.50 0.00 2.30 -0.29 0.00 0.00 176.35 178.53 1hk6 n ILE 39 N 2.67 0.00 -4.69 6.68 -5.35 -1.23 -4.94 119.36 112.50 1hk6 n ILE 39 Ca 0.06 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.22 1hk6 n ILE 39 Cb 0.43 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.21 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 -2.18 1.61 -0.14 3.28 0.00 -1.22 -4.95 107.32 103.71 1hk6 s GLY 40 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.59 1hk6 s GLY 40 CO 0.00 -0.89 0.35 -2.27 0.00 0.00 0.00 173.10 170.29 1hk6 s LEU 41 N -1.13 0.15 -0.08 0.66 1.98 -1.26 -1.96 118.68 117.03 1hk6 s LEU 41 Ca 0.14 0.74 -0.17 0.00 -2.89 0.00 0.00 54.13 51.95 1hk6 s LEU 41 Cb -0.11 1.11 0.04 0.00 0.66 0.00 0.00 46.19 47.89 1hk6 s LEU 41 CO 0.04 -0.18 0.41 0.42 -1.89 0.00 0.00 176.35 175.15 1hk6 s THR 42 N 1.26 0.03 -0.09 3.68 -4.23 -0.99 -1.72 115.64 113.58 1hk6 s THR 42 Ca -0.09 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1hk6 s THR 42 Cb -0.09 -0.66 0.03 0.00 1.34 0.00 0.00 72.50 73.13 1hk6 s THR 42 CO -0.10 -0.12 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.22 1hk6 s ILE 43 N -0.69 0.46 0.00 2.99 1.01 -0.97 -2.50 121.20 121.51 1hk6 s ILE 43 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1hk6 s ILE 43 Cb -0.04 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1hk6 s ILE 43 CO 0.04 0.22 0.00 0.00 0.00 0.00 0.00 174.94 175.20 1hk6 n GLY 45 N 0.00 1.18 3.72 0.00 0.00 -1.26 -2.91 105.19 105.91 1hk6 n GLY 45 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 3.58 0.38 1.61 5.65 -1.16 -4.99 115.29 120.36 1hk6 s HIS 46 Ca 0.00 1.54 -0.25 0.00 0.25 0.00 0.00 55.06 56.60 1hk6 s HIS 46 Cb 0.00 -3.25 -0.09 0.00 -1.18 0.00 0.00 32.58 28.06 1hk6 s HIS 46 CO 0.00 -0.56 1.06 0.54 -0.65 0.00 0.00 174.74 175.13 1hk6 s ASN 47 N 0.81 6.83 -0.31 9.88 4.22 -1.26 -2.28 114.94 132.83 1hk6 s ASN 47 Ca 0.54 2.09 0.18 0.00 -2.14 0.00 0.00 52.86 53.53 1hk6 s ASN 47 Cb -0.25 -2.59 0.46 0.00 1.28 0.00 0.00 41.25 40.14 1hk6 s ASN 47 CO 0.29 -0.44 1.20 0.00 -2.04 0.00 0.00 177.10 176.10 1hk6 h LEU 49 N 2.29 0.43 -0.92 0.00 7.12 -1.92 -1.59 115.31 120.71 1hk6 h LEU 49 Ca -0.21 -0.31 0.21 0.00 0.13 0.00 0.00 57.88 57.70 1hk6 h LEU 49 Cb 1.26 -0.12 -0.12 0.00 -0.53 0.00 0.00 40.66 41.16 1hk6 h LEU 49 CO 0.15 0.63 0.47 0.17 -0.13 0.00 0.00 178.44 179.73 1hk6 h LEU 50 N 0.22 0.49 0.14 2.25 -0.00 -1.94 -0.73 115.31 115.74 1hk6 h LEU 50 Ca 0.07 0.13 -0.28 0.00 -0.00 0.00 0.00 57.88 57.80 1hk6 h LEU 50 Cb 0.41 0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1hk6 h LEU 50 CO 0.01 0.09 -1.30 0.71 -0.00 0.00 0.00 178.44 177.95 1hk6 h THR 51 N 0.52 1.44 -2.98 0.15 1.35 -1.94 -3.46 112.91 107.99 1hk6 h THR 51 Ca 0.56 -3.01 -0.56 0.00 -0.55 0.00 0.00 66.41 62.86 1hk6 h THR 51 Cb 1.01 2.93 0.08 0.00 -1.73 0.00 0.00 68.15 70.45 1hk6 h THR 51 CO -0.47 0.88 0.75 0.00 -0.25 0.00 0.00 175.52 176.43 1hk6 n ALA 52 N -2.56 1.86 -3.02 6.62 0.00 -0.28 -4.65 120.51 118.47 1hk6 n ALA 52 Ca -0.10 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.48 1hk6 n ALA 52 Cb 1.03 -2.37 -0.16 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.45 1.69 0.57 0.00 2.12 0.36 -4.94 118.70 118.05 1hk6 s GLU 53 Ca 0.66 -0.54 -0.17 0.00 0.36 0.00 0.00 54.97 55.27 1hk6 s GLU 53 Cb -0.57 -1.46 -0.05 0.00 0.26 0.00 0.00 34.13 32.31 1hk6 s GLU 53 CO 0.49 0.19 1.07 -0.46 -0.54 0.00 0.00 175.26 176.01 1hk6 s TRP 54 N 0.17 2.91 0.00 5.30 -0.00 -1.26 -2.49 118.94 123.57 1hk6 s TRP 54 Ca -0.06 1.54 0.00 0.00 -0.00 0.00 0.00 56.10 57.58 1hk6 s TRP 54 Cb -0.12 -3.07 0.00 0.00 -0.00 0.00 0.00 33.47 30.28 1hk6 s TRP 54 CO 0.02 -1.16 0.00 -1.33 -0.00 0.00 0.00 176.95 174.49 1hk6 n MET 55 N -1.71 0.00 -3.87 5.86 2.81 -1.22 -4.89 117.12 114.10 1hk6 n MET 55 Ca 0.09 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.97 1hk6 n MET 55 Cb 0.52 -0.13 0.01 0.00 -0.71 0.00 0.00 33.22 32.91 1hk6 n MET 55 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1hk6 s SER 56 N -3.51 -0.02 0.00 7.83 0.15 -1.18 -4.98 113.70 111.98 1hk6 s SER 56 Ca 0.00 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1hk6 s SER 56 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1hk6 s SER 56 CO 0.00 -0.71 1.33 0.00 1.20 0.00 0.00 173.24 175.06 1hk6 n ALA 57 N -0.71 3.07 -1.58 5.45 0.00 -1.23 -2.94 120.51 122.56 1hk6 n ALA 57 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1hk6 n ALA 57 Cb 0.60 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.12 -0.04 -3.64 0.00 3.41 -1.26 -3.48 113.62 109.74 1hk6 n SER 58 Ca 0.00 -0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.42 1hk6 n SER 58 Cb 0.43 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.55 -0.22 4.33 2.20 -1.15 -4.26 119.74 121.18 1hk6 s LYS 59 Ca 0.00 0.85 -0.04 0.00 -0.36 0.00 0.00 55.97 56.42 1hk6 s LYS 59 Cb 0.00 0.16 0.12 0.00 -1.51 0.00 0.00 37.83 36.60 1hk6 s LYS 59 CO -0.00 -0.10 0.38 0.42 -0.36 0.00 0.00 175.35 175.70 1hk6 s ILE 60 N 1.10 -0.61 -0.01 5.43 1.01 -1.19 -3.13 121.20 123.81 1hk6 s ILE 60 Ca -0.06 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 1hk6 s ILE 60 Cb -0.04 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1hk6 s ILE 60 CO -0.13 -0.05 0.89 -0.69 0.00 0.00 0.00 174.94 174.96 1hk6 s VAL 61 N 2.56 4.88 -0.15 2.92 1.01 -1.04 -2.74 120.40 127.85 1hk6 s VAL 61 Ca 0.08 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 1hk6 s VAL 61 Cb -0.14 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.14 1hk6 s VAL 61 CO -0.14 0.21 1.04 0.00 0.00 0.00 0.00 175.10 176.21 1hk6 s ARG 63 N -1.71 4.54 0.25 0.00 0.52 -1.26 -3.52 118.95 117.77 1hk6 s ARG 63 Ca 0.02 1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 56.06 1hk6 s ARG 63 Cb -0.01 -3.33 -0.13 0.00 0.52 0.00 0.00 34.95 32.00 1hk6 s ARG 63 CO -0.03 0.38 1.35 0.28 0.02 0.00 0.00 175.30 177.30 1hk6 n VAL 64 N 2.36 1.15 0.00 3.52 0.31 0.48 -4.98 118.33 121.16 1hk6 n VAL 64 Ca -0.03 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1hk6 n VAL 64 Cb 0.50 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 1.90 -1.89 3.60 2.92 0.00 -1.26 -4.37 105.19 106.09 1hk6 n GLY 65 Ca 0.11 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 0.81 0.28 1.61 -2.07 -1.25 -4.68 119.66 114.36 1hk6 s GLN 66 Ca 0.00 0.68 -0.28 0.00 -1.82 0.00 0.00 55.36 53.94 1hk6 s GLN 66 Cb 0.00 0.39 -0.15 0.00 -1.09 0.00 0.00 33.01 32.17 1hk6 s GLN 66 CO 0.00 -0.16 0.86 0.00 -1.32 0.00 0.00 175.29 174.68 1hk6 n ALA 67 N 2.01 -0.92 0.00 2.60 0.00 -1.26 -4.27 120.51 118.67 1hk6 n ALA 67 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1hk6 n ALA 67 Cb 0.56 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1hk6 n ALA 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1hk6 n LYS 68 N 0.76 0.00 -3.77 0.00 3.00 -1.26 -4.93 118.16 111.96 1hk6 n LYS 68 Ca 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.44 1hk6 n LYS 68 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 35.30 1hk6 n LYS 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1hk6 s ASN 69 N -2.44 -0.04 -1.69 3.14 2.20 -1.15 -5.00 114.94 109.98 1hk6 s ASN 69 Ca 0.00 -0.22 -0.18 0.00 -0.94 0.00 0.00 52.86 51.52 1hk6 s ASN 69 Cb 0.00 0.20 0.15 0.00 -2.00 0.00 0.00 41.25 39.60 1hk6 s ASN 69 CO 0.00 -0.39 0.78 -0.67 -2.94 0.00 0.00 177.10 173.88 1hk6 n ASP 70 N -0.75 -3.25 0.00 3.54 2.03 -1.26 -3.68 116.55 113.18 1hk6 n ASP 70 Ca -0.04 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1hk6 n ASP 70 Cb 0.61 -2.81 0.00 0.00 -0.72 0.00 0.00 41.12 38.20 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1hk6 n LYS 71 N -4.40 0.00 0.00 -0.67 4.01 -1.26 -2.58 118.16 113.26 1hk6 n LYS 71 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1hk6 n LYS 71 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hk6 n GLY 72 N 0.00 0.00 3.73 0.72 0.00 -1.24 -4.75 105.19 103.65 1hk6 n GLY 72 Ca 0.00 0.00 -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 0.51 0.00 0.00 0.00 173.32 173.83 1hk6 s ASP 73 N 0.00 6.56 -0.07 1.61 -4.77 -1.07 -2.56 116.67 116.37 1hk6 s ASP 73 Ca 0.00 2.70 -0.24 0.00 -3.30 0.00 0.00 52.55 51.70 1hk6 s ASP 73 Cb 0.00 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1hk6 s ASP 73 CO 0.00 -0.81 0.75 -0.63 0.70 0.00 0.00 175.17 175.18 1hk6 s ILE 74 N 0.65 5.00 0.01 2.11 1.01 -1.21 -3.05 121.20 125.72 1hk6 s ILE 74 Ca 0.66 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.89 1hk6 s ILE 74 Cb -0.44 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 1hk6 s ILE 74 CO 0.37 0.21 -0.10 -0.63 0.00 0.00 0.00 174.94 174.79 1hk6 s ILE 75 N 1.03 0.77 -0.05 2.92 -1.09 -1.04 -3.75 121.20 119.99 1hk6 s ILE 75 Ca 0.39 -0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1hk6 s ILE 75 Cb -0.18 -0.68 0.04 0.00 -1.58 0.00 0.00 42.46 40.06 1hk6 s ILE 75 CO 0.19 0.11 0.09 0.54 -1.23 0.00 0.00 174.94 174.63 1hk6 s VAL 76 N -0.45 -0.14 0.25 2.92 0.11 -1.26 -2.34 120.40 119.49 1hk6 s VAL 76 Ca 0.02 0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 1hk6 s VAL 76 Cb -0.05 -0.19 -0.08 0.00 -1.53 0.00 0.00 36.38 34.53 1hk6 s VAL 76 CO 0.00 0.15 0.68 -0.89 -3.33 0.00 0.00 175.10 171.70 1hk6 s THR 77 N 1.94 4.71 -0.01 5.04 2.01 -0.83 -1.26 115.64 127.25 1hk6 s THR 77 Ca 0.01 0.95 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 1hk6 s THR 77 Cb -0.12 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1hk6 s THR 77 CO -0.04 0.01 0.02 0.42 -0.69 0.00 0.00 174.62 174.34 1hk6 s THR 78 N -1.75 0.01 0.19 -0.82 -4.23 -1.26 -3.42 115.64 104.36 1hk6 s THR 78 Ca 0.48 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.77 1hk6 s THR 78 Cb -0.13 -0.06 0.13 0.00 1.34 0.00 0.00 72.50 73.78 1hk6 s THR 78 CO 0.19 -0.04 1.68 0.11 -0.54 0.00 0.00 174.62 176.02 1hk6 h LYS 79 N 5.98 0.10 -0.17 3.99 1.79 -1.80 -2.23 116.57 124.23 1hk6 h LYS 79 Ca -0.25 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.16 1hk6 h LYS 79 Cb 1.21 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1hk6 h LYS 79 CO 0.49 0.06 -0.11 0.66 -1.08 0.00 0.00 179.45 179.47 1hk6 h SER 80 N 0.10 0.39 0.00 0.86 4.64 -1.97 -3.44 113.55 114.13 1hk6 h SER 80 Ca 0.25 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1hk6 h SER 80 Cb 0.38 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1hk6 h SER 80 CO -0.43 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1hk6 n GLY 81 N 0.08 -1.29 0.00 -0.77 0.00 -0.84 -4.43 105.19 97.93 1hk6 n GLY 81 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 2.24 0.18 3.63 -0.02 0.00 -1.22 -4.88 105.19 105.13 1hk6 n GLY 82 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.97 0.41 0.67 1.61 2.20 -1.26 -4.73 119.74 117.67 1hk6 s LYS 83 Ca 0.00 0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 56.18 1hk6 s LYS 83 Cb 0.00 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1hk6 s LYS 83 CO 0.00 -0.09 1.14 0.20 -0.36 0.00 0.00 175.35 176.24 1hk6 s GLY 84 N 1.43 2.26 -0.06 5.54 0.00 -0.39 -4.51 107.32 111.59 1hk6 s GLY 84 Ca -0.09 0.67 -0.05 0.00 0.00 0.00 0.00 44.72 45.25 1hk6 s GLY 84 CO -0.16 1.04 0.15 -0.51 0.00 0.00 0.00 173.10 173.63 1hk6 s THR 85 N -2.18 0.00 -0.19 0.90 -4.23 -0.53 -4.51 115.64 104.90 1hk6 s THR 85 Ca 0.70 -0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 61.05 1hk6 s THR 85 Cb -0.23 -0.22 0.05 0.00 1.34 0.00 0.00 72.50 73.44 1hk6 s THR 85 CO 0.41 -0.00 0.50 -0.55 -0.54 0.00 0.00 174.62 174.44 1hk6 s SER 86 N 0.08 -0.57 -0.39 3.99 0.15 -1.25 -2.90 113.70 112.81 1hk6 s SER 86 Ca -0.00 1.04 -0.00 0.00 0.70 0.00 0.00 55.95 57.69 1hk6 s SER 86 Cb -0.01 1.01 0.32 0.00 -1.71 0.00 0.00 66.02 65.63 1hk6 s SER 86 CO 0.00 -0.19 1.91 0.35 1.20 0.00 0.00 173.24 176.51 1hk6 n THR 87 N 3.33 2.87 -3.78 6.45 -2.24 -1.26 -4.69 114.28 114.97 1hk6 n THR 87 Ca -0.17 -1.82 -0.13 0.00 -2.27 0.00 0.00 64.05 59.66 1hk6 n THR 87 Cb 0.56 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.58 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 -2.81 0.04 -0.02 2.28 -7.23 -1.26 -5.08 120.40 106.32 1hk6 s VAL 88 Ca 0.40 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1hk6 s VAL 88 Cb 0.32 -0.52 0.01 0.00 0.56 0.00 0.00 36.38 36.74 1hk6 s VAL 88 CO 0.01 -0.19 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.12 1hk6 s SER 89 N -0.83 0.77 0.01 4.85 0.01 -1.26 -3.36 113.70 113.89 1hk6 s SER 89 Ca -0.09 -0.11 -0.24 0.00 1.31 0.00 0.00 55.95 56.82 1hk6 s SER 89 Cb -0.05 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1hk6 s SER 89 CO 0.03 0.03 0.71 0.12 0.41 0.00 0.00 173.24 174.54 1hk6 s PHE 90 N 0.25 3.70 -0.14 2.43 5.36 -1.06 -4.91 117.98 123.61 1hk6 s PHE 90 Ca -0.03 1.37 -0.25 0.00 -0.96 0.00 0.00 56.93 57.07 1hk6 s PHE 90 Cb -0.07 -2.77 -0.02 0.00 -0.34 0.00 0.00 43.02 39.82 1hk6 s PHE 90 CO -0.00 0.26 0.78 0.21 -1.46 0.00 0.00 175.22 175.01 1hk6 s LYS 91 N 0.07 4.34 0.02 10.12 2.20 -1.24 -4.60 119.74 130.65 1hk6 s LYS 91 Ca 0.37 0.96 -0.24 0.00 -0.36 0.00 0.00 55.97 56.69 1hk6 s LYS 91 Cb -0.19 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 1hk6 s LYS 91 CO 0.21 -0.21 0.74 -0.51 -0.36 0.00 0.00 175.35 175.22 1hk6 s LEU 92 N 1.73 4.43 -0.13 5.43 2.01 -1.26 -3.27 118.68 127.61 1hk6 s LEU 92 Ca 0.38 1.39 -0.03 0.00 0.01 0.00 0.00 54.13 55.88 1hk6 s LEU 92 Cb -0.17 -3.19 -0.03 0.00 0.01 0.00 0.00 46.19 42.81 1hk6 s LEU 92 CO 0.14 0.00 -0.02 -0.76 1.01 0.00 0.00 176.35 176.72 1hk6 s LEU 93 N 0.07 3.38 0.05 1.79 1.43 -1.20 -4.91 118.68 119.28 1hk6 s LEU 93 Ca 0.38 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 1hk6 s LEU 93 Cb -0.20 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 1hk6 s LEU 93 CO 0.22 0.26 1.64 -0.75 0.23 0.00 0.00 176.35 177.94 1hk6 s LYS 94 N -0.16 4.20 0.21 1.70 2.47 -1.26 -3.82 119.74 123.08 1hk6 s LYS 94 Ca 0.04 2.28 -0.31 0.00 -1.56 0.00 0.00 55.97 56.42 1hk6 s LYS 94 Cb -0.13 -3.66 -0.10 0.00 -1.46 0.00 0.00 37.83 32.48 1hk6 s LYS 94 CO 0.02 -0.74 1.49 -1.25 0.16 0.00 0.00 175.35 175.03 1hk6 s PRO 95 N 2.84 4.25 -0.40 4.03 0.04 -1.26 -4.95 135.00 139.55 1hk6 s PRO 95 Ca 0.73 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 64.04 1hk6 s PRO 95 Cb -0.38 -3.13 0.09 0.00 0.04 0.00 0.00 34.50 31.12 1hk6 s PRO 95 CO 0.32 -0.50 0.21 -2.00 0.04 0.00 0.00 177.00 175.06 1hk6 s GLU 96 N 0.31 2.29 0.00 4.56 2.12 -1.26 -5.19 118.70 121.53 1hk6 s GLU 96 Ca 0.64 -1.63 0.03 0.00 0.36 0.00 0.00 54.97 54.36 1hk6 s GLU 96 Cb -0.42 -3.62 0.15 0.00 0.26 0.00 0.00 34.13 30.50 1hk6 s GLU 96 CO 0.38 -0.99 0.64 1.63 -0.54 0.00 0.00 175.26 176.38