#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 4.17 0.10 -0.41 1.00 -1.26 -4.91 119.30 117.99 1hk6 s MET 4 Ca 0.00 2.49 -0.31 0.00 0.00 0.00 0.00 55.69 57.87 1hk6 s MET 4 Cb 0.00 -3.02 -0.10 0.00 0.00 0.00 0.00 34.83 31.72 1hk6 s MET 4 CO 0.00 -0.51 1.77 1.03 0.00 0.00 0.00 175.02 177.31 1hk6 s ARG 5 N -1.28 4.16 0.32 2.03 0.52 -1.26 -4.97 118.95 118.47 1hk6 s ARG 5 Ca 0.57 2.50 -0.27 0.00 -0.52 0.00 0.00 55.73 58.01 1hk6 s ARG 5 Cb -0.45 -3.62 -0.09 0.00 0.52 0.00 0.00 34.95 31.30 1hk6 s ARG 5 CO 0.54 -0.81 1.05 1.14 0.02 0.00 0.00 175.30 177.24 1hk6 s GLN 6 N 2.78 4.49 0.51 3.54 -2.07 -1.26 -4.94 119.66 122.70 1hk6 s GLN 6 Ca 0.79 1.63 -0.23 0.00 -1.82 0.00 0.00 55.36 55.73 1hk6 s GLN 6 Cb -0.44 -2.93 -0.06 0.00 -1.09 0.00 0.00 33.01 28.49 1hk6 s GLN 6 CO 0.35 0.12 1.34 -1.25 -1.32 0.00 0.00 175.29 174.53 1hk6 s PRO 7 N -1.85 3.37 -0.25 9.60 0.04 -1.26 -4.86 135.00 139.79 1hk6 s PRO 7 Ca 0.49 2.20 -0.38 0.00 0.04 0.00 0.00 61.00 63.35 1hk6 s PRO 7 Cb -0.27 -2.37 -0.14 0.00 0.04 0.00 0.00 34.50 31.76 1hk6 s PRO 7 CO 0.34 -1.00 1.84 -2.30 0.04 0.00 0.00 177.00 175.92 1hk6 n PRO 8 N -0.74 1.35 -3.49 0.56 -0.02 -1.26 -4.88 135.00 126.51 1hk6 n PRO 8 Ca 0.09 0.48 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 1hk6 n PRO 8 Cb 0.45 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 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 4.16 4.24 -0.06 2.45 1.98 -0.23 -2.94 118.68 128.29 1hk6 s LEU 9 Ca 0.99 -0.10 -0.12 0.00 -2.89 0.00 0.00 54.13 52.01 1hk6 s LEU 9 Cb -0.97 -2.23 -0.05 0.00 0.66 0.00 0.00 46.19 43.59 1hk6 s LEU 9 CO 0.61 -0.19 0.30 -0.69 -1.89 0.00 0.00 176.35 174.49 1hk6 s VAL 10 N 1.87 5.23 -0.32 1.68 1.01 -1.10 0.14 120.40 128.91 1hk6 s VAL 10 Ca 0.09 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1hk6 s VAL 10 Cb -0.16 -3.58 0.18 0.00 0.00 0.00 0.00 36.38 32.81 1hk6 s VAL 10 CO 0.11 0.59 1.14 1.07 0.00 0.00 0.00 175.10 178.00 1hk6 n THR 11 N 1.97 0.00 -3.64 3.92 5.66 -0.88 -3.68 114.28 117.63 1hk6 n THR 11 Ca -0.16 -0.89 -0.08 0.00 -3.05 0.00 0.00 64.05 59.87 1hk6 n THR 11 Cb 0.53 0.72 -0.07 0.00 -1.55 0.00 0.00 70.33 69.97 1hk6 n THR 11 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1hk6 s GLY 12 N -0.53 -0.11 -0.28 1.09 0.00 0.22 -4.81 107.32 102.89 1hk6 s GLY 12 Ca 0.09 2.76 -0.18 0.00 0.00 0.00 0.00 44.72 47.39 1hk6 s GLY 12 CO -0.04 1.89 0.86 -1.50 0.00 0.00 0.00 173.10 174.31 1hk6 s ILE 13 N 0.29 0.00 -0.01 0.90 2.07 -1.26 -1.59 121.20 121.61 1hk6 s ILE 13 Ca 0.03 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.04 1hk6 s ILE 13 Cb -0.05 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.41 1hk6 s ILE 13 CO -0.07 0.00 0.94 -1.28 -1.91 0.00 0.00 174.94 172.61 1hk6 h SER 14 N 6.01 -0.63 -3.55 4.50 0.87 -1.95 -3.43 113.55 115.37 1hk6 h SER 14 Ca -0.29 -0.01 -0.61 0.00 -1.23 0.00 0.00 61.79 59.65 1hk6 h SER 14 Cb 1.20 0.16 -0.12 0.00 -0.44 0.00 0.00 62.40 63.20 1hk6 h SER 14 CO 0.16 -0.23 -0.08 -2.16 -0.53 0.00 0.00 176.83 173.99 1hk6 s PRO 15 N -4.15 4.11 -0.37 2.24 0.04 -1.26 -4.95 135.00 130.66 1hk6 s PRO 15 Ca -0.12 0.29 0.04 0.00 0.04 0.00 0.00 61.00 61.25 1hk6 s PRO 15 Cb 0.01 -3.61 0.56 0.00 0.04 0.00 0.00 34.50 31.51 1hk6 s PRO 15 CO 0.37 -0.24 1.76 0.27 0.04 0.00 0.00 177.00 179.20 1hk6 n ASN 16 N 5.14 3.68 0.00 6.66 0.23 -1.26 -4.84 115.26 124.86 1hk6 n ASN 16 Ca -0.05 -3.32 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 1hk6 n ASN 16 Cb 0.50 -0.78 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1hk6 n GLU 17 N -0.83 0.00 0.00 -3.83 0.28 -1.26 -4.37 120.64 110.63 1hk6 n GLU 17 Ca 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1hk6 n GLU 17 Cb 1.47 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.34 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 -0.00 2.24 3.53 -1.84 0.00 -1.21 -4.97 105.19 102.94 1hk6 n GLY 18 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.40 0.00 -0.32 -0.61 -5.35 -1.25 -2.52 119.36 108.91 1hk6 n ILE 19 Ca 0.00 -0.25 0.17 0.00 -0.27 0.00 0.00 62.75 62.40 1hk6 n ILE 19 Cb 0.00 -0.96 0.37 0.00 -1.74 0.00 0.00 39.64 37.31 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 -2.30 0.34 0.00 6.28 0.11 -1.74 0.30 132.00 134.99 1hk6 h PRO 20 Ca -0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1hk6 h PRO 20 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1hk6 h PRO 20 CO 0.45 0.22 0.00 -1.49 -0.21 0.00 0.00 178.00 176.97 1hk6 h TRP 21 N 0.35 0.00 -2.56 0.65 4.06 -1.87 -1.81 115.95 114.76 1hk6 h TRP 21 Ca 0.63 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 61.02 1hk6 h TRP 21 Cb 1.31 0.00 0.07 0.00 -1.00 0.00 0.00 29.16 29.53 1hk6 h TRP 21 CO -0.11 0.00 0.83 2.41 -3.56 0.00 0.00 178.44 178.01 1hk6 n THR 22 N -2.69 0.30 -2.44 1.49 -1.04 0.11 -4.71 114.28 105.30 1hk6 n THR 22 Ca 0.04 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 1hk6 n THR 22 Cb 0.42 -1.69 -0.04 0.00 -1.82 0.00 0.00 70.33 67.20 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 0.56 4.61 -0.03 -2.82 2.20 -1.26 -2.95 119.74 120.05 1hk6 s LYS 23 Ca 0.74 1.84 -0.00 0.00 -0.36 0.00 0.00 55.97 58.19 1hk6 s LYS 23 Cb -0.61 -3.18 0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1hk6 s LYS 23 CO 0.40 0.17 0.03 0.14 -0.36 0.00 0.00 175.35 175.73 1hk6 s VAL 24 N -1.12 -0.02 -0.29 4.02 -7.23 -0.93 -4.84 120.40 109.99 1hk6 s VAL 24 Ca 0.45 0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 60.64 1hk6 s VAL 24 Cb -0.33 -0.13 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1hk6 s VAL 24 CO 0.42 0.12 0.67 -0.89 -0.31 0.00 0.00 175.10 175.10 1hk6 s THR 25 N 1.25 4.92 0.12 5.32 2.01 -1.26 -2.99 115.64 125.01 1hk6 s THR 25 Ca -0.07 1.03 -0.23 0.00 0.31 0.00 0.00 61.69 62.73 1hk6 s THR 25 Cb -0.13 -4.01 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 1hk6 s THR 25 CO -0.03 -0.10 0.71 -0.63 -0.69 0.00 0.00 174.62 173.88 1hk6 s ILE 26 N 2.65 4.54 -0.05 1.82 1.01 -0.61 -3.43 121.20 127.13 1hk6 s ILE 26 Ca 0.27 1.55 -0.04 0.00 0.00 0.00 0.00 60.65 62.43 1hk6 s ILE 26 Cb -0.15 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1hk6 s ILE 26 CO 0.11 0.50 0.12 -0.13 0.00 0.00 0.00 174.94 175.54 1hk6 s ARG 27 N -0.94 0.12 0.00 2.79 0.52 -0.62 -1.78 118.95 119.04 1hk6 s ARG 27 Ca 0.34 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1hk6 s ARG 27 Cb -0.22 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.25 1hk6 s ARG 27 CO 0.23 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1hk6 n GLY 28 N 3.34 1.24 3.10 -3.53 0.00 -1.25 -0.61 105.19 107.48 1hk6 n GLY 28 Ca -0.16 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 3.93 0.26 -1.25 1.61 0.41 0.12 -4.71 118.70 119.07 1hk6 s GLU 29 Ca 0.00 0.41 -0.08 0.00 -0.41 0.00 0.00 54.97 54.89 1hk6 s GLU 29 Cb 0.00 0.05 0.01 0.00 -1.78 0.00 0.00 34.13 32.40 1hk6 s GLU 29 CO 0.00 -0.08 1.09 0.09 -0.49 0.00 0.00 175.26 175.87 1hk6 n ASN 30 N 3.41 -6.04 -2.20 -0.19 3.02 -1.26 -1.06 115.26 110.94 1hk6 n ASN 30 Ca -0.17 -0.50 -0.17 0.00 -0.03 0.00 0.00 54.58 53.71 1hk6 n ASN 30 Cb 0.56 -4.66 -0.13 0.00 -0.61 0.00 0.00 39.78 34.94 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 -4.65 5.74 -0.59 3.41 4.32 -0.72 -4.15 117.00 120.37 1hk6 n LEU 31 Ca 0.01 -3.49 0.00 0.00 -0.02 0.00 0.00 56.01 52.51 1hk6 n LEU 31 Cb 0.56 -1.38 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 1hk6 n LEU 31 CO 0.60 1.73 -0.16 0.61 -1.22 0.00 0.00 177.39 178.95 1hk6 n GLY 32 N 2.11 -3.80 0.31 -0.72 0.00 -1.26 -4.76 105.19 97.07 1hk6 n GLY 32 Ca 0.46 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.67 1hk6 n GLY 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1hk6 h THR 33 N 0.88 1.12 -1.14 2.61 1.35 -1.91 -3.40 112.91 112.41 1hk6 h THR 33 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1hk6 h THR 33 Cb 0.00 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1hk6 h THR 33 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 1hk6 n GLY 34 N -1.45 2.99 0.18 5.82 0.00 -1.26 -4.67 105.19 106.80 1hk6 n GLY 34 Ca 0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.58 -0.93 1.61 0.13 -1.95 -3.10 132.00 128.34 1hk6 h PRO 35 Ca 0.00 -0.35 0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1hk6 h PRO 35 Cb 0.00 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.10 1hk6 h PRO 35 CO 0.00 0.96 0.59 1.79 -0.23 0.00 0.00 178.00 181.11 1hk6 h THR 36 N 0.26 1.07 -0.54 1.56 1.35 -2.00 -1.56 112.91 113.04 1hk6 h THR 36 Ca 0.02 -0.37 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 1hk6 h THR 36 Cb 0.91 -0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 67.20 1hk6 h THR 36 CO 0.07 0.20 0.16 0.44 -0.25 0.00 0.00 175.52 176.14 1hk6 h ASP 37 N 1.07 0.75 0.00 5.36 5.19 -1.96 -3.27 116.42 123.56 1hk6 h ASP 37 Ca 0.40 -0.12 -0.57 0.00 -0.62 0.00 0.00 57.03 56.13 1hk6 h ASP 37 Cb 0.17 -0.20 0.02 0.00 0.18 0.00 0.00 39.33 39.50 1hk6 h ASP 37 CO -0.17 0.72 3.16 -0.11 -3.12 0.00 0.00 179.24 179.72 1hk6 n LEU 38 N -4.29 6.65 -0.02 1.55 7.94 -0.59 -2.61 117.00 125.63 1hk6 n LEU 38 Ca 0.04 -3.65 -0.07 0.00 -1.11 0.00 0.00 56.01 51.22 1hk6 n LEU 38 Cb 0.21 -1.36 0.10 0.00 0.53 0.00 0.00 43.42 42.90 1hk6 n LEU 38 CO 0.39 1.17 0.61 0.16 -1.11 0.00 0.00 177.39 178.62 1hk6 h ILE 39 N 3.44 1.29 -4.30 1.96 3.07 -1.71 -3.44 117.51 117.82 1hk6 h ILE 39 Ca 0.65 -1.52 -0.54 0.00 1.55 0.00 0.00 64.86 65.00 1hk6 h ILE 39 Cb 0.32 1.50 -0.29 0.00 -0.27 0.00 0.00 36.82 38.07 1hk6 h ILE 39 CO 1.69 0.48 -0.83 -0.83 -1.05 0.00 0.00 178.15 177.61 1hk6 s GLY 40 N -4.02 0.85 0.01 0.16 0.00 -1.26 -5.06 107.32 98.00 1hk6 s GLY 40 Ca -0.08 -0.74 -0.15 0.00 0.00 0.00 0.00 44.72 43.75 1hk6 s GLY 40 CO 0.83 -0.61 0.32 -2.27 0.00 0.00 0.00 173.10 171.36 1hk6 s LEU 41 N -0.39 0.82 -0.11 0.66 2.96 -1.26 -1.25 118.68 120.10 1hk6 s LEU 41 Ca 0.06 0.00 -0.13 0.00 -0.22 0.00 0.00 54.13 53.85 1hk6 s LEU 41 Cb -0.07 1.33 0.03 0.00 0.50 0.00 0.00 46.19 47.99 1hk6 s LEU 41 CO -0.01 -0.51 0.34 0.42 -1.32 0.00 0.00 176.35 175.28 1hk6 s THR 42 N -1.77 0.01 -0.03 3.68 -4.23 -1.13 -3.74 115.64 108.43 1hk6 s THR 42 Ca -0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1hk6 s THR 42 Cb -0.03 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.32 1hk6 s THR 42 CO 0.02 -0.04 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.43 1hk6 s ILE 43 N -0.04 0.17 -1.17 2.99 1.01 -0.51 -3.20 121.20 120.45 1hk6 s ILE 43 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1hk6 s ILE 43 Cb -0.03 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.19 1hk6 s ILE 43 CO 0.01 0.14 0.05 0.00 0.00 0.00 0.00 174.94 175.13 1hk6 n GLY 45 N -0.87 2.07 3.80 0.00 0.00 -1.26 -1.32 105.19 107.60 1hk6 n GLY 45 Ca -0.15 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 1hk6 n GLY 45 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hk6 s HIS 46 N -0.58 3.84 0.51 1.61 0.00 -0.46 -4.98 115.29 115.24 1hk6 s HIS 46 Ca 0.00 1.45 -0.23 0.00 -3.00 0.00 0.00 55.06 53.28 1hk6 s HIS 46 Cb 0.00 -2.63 -0.06 0.00 -4.00 0.00 0.00 32.58 25.89 1hk6 s HIS 46 CO 0.00 0.53 1.38 1.21 -1.00 0.00 0.00 174.74 176.86 1hk6 s ASN 47 N -1.19 5.48 -0.24 7.38 2.47 -1.26 -1.43 114.94 126.16 1hk6 s ASN 47 Ca 0.34 2.81 0.17 0.00 0.42 0.00 0.00 52.86 56.59 1hk6 s ASN 47 Cb -0.21 -2.64 0.41 0.00 -1.45 0.00 0.00 41.25 37.36 1hk6 s ASN 47 CO 0.23 -1.43 1.28 0.00 -3.72 0.00 0.00 177.10 173.45 1hk6 h LEU 49 N 1.57 0.29 -1.51 0.00 5.85 -1.90 -0.92 115.31 118.69 1hk6 h LEU 49 Ca -0.31 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 57.88 1hk6 h LEU 49 Cb 1.36 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1hk6 h LEU 49 CO -0.02 0.80 0.38 0.17 -0.34 0.00 0.00 178.44 179.44 1hk6 h LEU 50 N -0.22 0.54 0.21 2.25 8.10 -1.97 -2.33 115.31 121.90 1hk6 h LEU 50 Ca 0.00 -0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.67 1hk6 h LEU 50 Cb 0.76 -0.12 0.03 0.00 -0.44 0.00 0.00 40.66 40.88 1hk6 h LEU 50 CO 0.04 0.37 -1.43 0.71 -4.11 0.00 0.00 178.44 174.02 1hk6 h THR 51 N 0.63 1.32 -3.47 0.15 1.35 -1.95 -3.45 112.91 107.49 1hk6 h THR 51 Ca 0.24 -2.81 -0.52 0.00 -0.55 0.00 0.00 66.41 62.77 1hk6 h THR 51 Cb 0.16 2.99 0.04 0.00 -1.73 0.00 0.00 68.15 69.61 1hk6 h THR 51 CO -0.07 0.84 0.66 0.00 -0.25 0.00 0.00 175.52 176.71 1hk6 s ALA 52 N -2.62 3.54 -0.08 6.62 0.00 -0.35 -4.67 121.76 124.20 1hk6 s ALA 52 Ca -0.08 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1hk6 s ALA 52 Cb 0.05 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.69 1hk6 s ALA 52 CO 0.92 -0.57 -0.14 -2.00 0.00 0.00 0.00 175.76 173.96 1hk6 s GLU 53 N -0.44 2.00 0.63 0.00 2.56 -0.19 -4.87 118.70 118.38 1hk6 s GLU 53 Ca 0.56 -0.51 -0.18 0.00 0.00 0.00 0.00 54.97 54.84 1hk6 s GLU 53 Cb -0.38 -1.64 -0.02 0.00 2.00 0.00 0.00 34.13 34.10 1hk6 s GLU 53 CO 0.41 0.02 1.27 -0.46 -0.56 0.00 0.00 175.26 175.94 1hk6 s TRP 54 N 0.72 2.16 0.00 5.30 -0.00 -1.26 -2.70 118.94 123.16 1hk6 s TRP 54 Ca -0.13 1.49 0.00 0.00 -0.00 0.00 0.00 56.10 57.46 1hk6 s TRP 54 Cb -0.16 -3.63 0.00 0.00 -0.00 0.00 0.00 33.47 29.68 1hk6 s TRP 54 CO 0.03 -2.72 0.00 -1.33 -0.00 0.00 0.00 176.95 172.93 1hk6 n MET 55 N -1.83 0.00 -3.46 5.86 2.81 -1.20 -4.84 117.12 114.46 1hk6 n MET 55 Ca 0.15 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.93 1hk6 n MET 55 Cb 0.49 -0.25 -0.02 0.00 -0.71 0.00 0.00 33.22 32.73 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1hk6 s SER 56 N -3.45 -0.52 0.53 7.83 0.01 0.32 -4.97 113.70 113.46 1hk6 s SER 56 Ca 0.00 -0.04 0.28 0.00 1.31 0.00 0.00 55.95 57.50 1hk6 s SER 56 Cb 0.00 0.58 1.42 0.00 0.21 0.00 0.00 66.02 68.22 1hk6 s SER 56 CO 0.00 -0.94 1.94 0.00 0.41 0.00 0.00 173.24 174.64 1hk6 h ALA 57 N 2.00 2.65 -0.45 1.44 0.00 -1.83 -1.55 119.26 121.51 1hk6 h ALA 57 Ca -0.31 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 1hk6 h ALA 57 Cb 1.30 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.80 1hk6 h ALA 57 CO 0.36 -0.86 -0.84 0.43 0.00 0.00 0.00 179.25 178.34 1hk6 n SER 58 N -4.33 3.15 -3.64 0.00 7.64 -1.26 -1.76 113.62 113.42 1hk6 n SER 58 Ca 0.15 -3.24 -0.06 0.00 1.01 0.00 0.00 58.87 56.72 1hk6 n SER 58 Cb 0.78 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 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 -3.23 0.56 -0.17 1.43 2.20 -0.58 -3.74 119.74 116.21 1hk6 s LYS 59 Ca 0.41 0.88 -0.07 0.00 -0.36 0.00 0.00 55.97 56.83 1hk6 s LYS 59 Cb 0.38 0.16 0.07 0.00 -1.51 0.00 0.00 37.83 36.93 1hk6 s LYS 59 CO -0.02 -0.10 0.37 0.42 -0.36 0.00 0.00 175.35 175.66 1hk6 s ILE 60 N 1.17 -0.42 -0.04 5.43 1.01 -0.74 -0.52 121.20 127.09 1hk6 s ILE 60 Ca -0.06 0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.49 1hk6 s ILE 60 Cb -0.04 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 1hk6 s ILE 60 CO -0.14 0.07 0.86 -0.69 0.00 0.00 0.00 174.94 175.04 1hk6 s VAL 61 N 2.21 4.94 -0.29 2.92 1.01 -1.10 -1.58 120.40 128.52 1hk6 s VAL 61 Ca -0.03 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.51 1hk6 s VAL 61 Cb -0.11 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.22 1hk6 s VAL 61 CO -0.11 0.18 1.09 0.00 0.00 0.00 0.00 175.10 176.26 1hk6 s ARG 63 N 0.56 4.49 0.00 0.00 0.52 -1.26 -2.20 118.95 121.05 1hk6 s ARG 63 Ca -0.00 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 1hk6 s ARG 63 Cb -0.04 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.13 1hk6 s ARG 63 CO -0.10 0.49 0.00 1.33 0.02 0.00 0.00 175.30 177.03 1hk6 n VAL 64 N 2.02 0.00 0.00 3.52 0.24 -1.15 -4.90 118.33 118.06 1hk6 n VAL 64 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1hk6 n VAL 64 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.66 -0.92 3.75 7.63 0.00 -0.69 -4.63 105.19 111.99 1hk6 n GLY 65 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.42 4.30 -0.89 1.61 -2.07 -1.26 -4.15 119.66 116.77 1hk6 s GLN 66 Ca 0.00 2.27 -0.08 0.00 -1.82 0.00 0.00 55.36 55.73 1hk6 s GLN 66 Cb 0.00 -3.10 -0.16 0.00 -1.09 0.00 0.00 33.01 28.67 1hk6 s GLN 66 CO 0.00 -0.34 3.14 0.00 -1.32 0.00 0.00 175.29 176.77 1hk6 n ALA 67 N 1.75 6.79 -0.31 2.60 0.00 -1.26 -4.64 120.51 125.45 1hk6 n ALA 67 Ca 0.04 -2.67 0.08 0.00 0.00 0.00 0.00 53.44 50.89 1hk6 n ALA 67 Cb 0.41 -2.90 0.24 0.00 0.00 0.00 0.00 19.45 17.19 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 4.28 0.65 0.00 0.00 1.63 -1.84 -3.39 116.57 117.90 1hk6 h LYS 68 Ca 0.56 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1hk6 h LYS 68 Cb 0.77 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1hk6 h LYS 68 CO 1.11 0.43 0.00 -1.71 -3.45 0.00 0.00 179.45 175.82 1hk6 n ASN 69 N -4.84 0.00 0.08 4.20 2.85 -0.43 -4.97 115.26 112.14 1hk6 n ASN 69 Ca 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1hk6 n ASN 69 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 1hk6 n ASN 69 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1hk6 n ASP 70 N 0.00 -0.82 -0.09 1.20 9.92 -1.26 -4.98 116.55 120.52 1hk6 n ASP 70 Ca 0.00 0.28 -0.23 0.00 -0.53 0.00 0.00 54.79 54.31 1hk6 n ASP 70 Cb 0.00 0.95 -0.12 0.00 -0.64 0.00 0.00 41.12 41.31 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hk6 n LYS 71 N -2.89 0.62 0.00 -1.24 5.02 -1.26 -4.98 118.16 113.42 1hk6 n LYS 71 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1hk6 n LYS 71 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 1.57 1.00 3.72 0.72 0.00 -1.26 -4.15 105.19 106.78 1hk6 n GLY 72 Ca -0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.21 6.61 -0.19 1.61 1.11 -1.26 -2.75 116.67 120.58 1hk6 s ASP 73 Ca 0.00 2.59 -0.13 0.00 0.18 0.00 0.00 52.55 55.19 1hk6 s ASP 73 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 1hk6 s ASP 73 CO 0.00 -0.80 0.25 -0.63 1.18 0.00 0.00 175.17 175.17 1hk6 s ILE 74 N 1.11 5.32 -0.01 0.77 1.01 -1.26 -3.81 121.20 124.32 1hk6 s ILE 74 Ca 0.69 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.79 1hk6 s ILE 74 Cb -0.43 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1hk6 s ILE 74 CO 0.31 0.37 -0.06 -0.63 0.00 0.00 0.00 174.94 174.93 1hk6 s ILE 75 N 0.68 0.52 -0.09 2.92 1.01 -1.19 -3.53 121.20 121.52 1hk6 s ILE 75 Ca 0.13 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1hk6 s ILE 75 Cb -0.13 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 41.89 1hk6 s ILE 75 CO 0.03 0.16 -0.17 -0.69 0.00 0.00 0.00 174.94 174.27 1hk6 s VAL 76 N 0.05 1.55 -0.10 2.92 1.01 -1.26 -2.85 120.40 121.73 1hk6 s VAL 76 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1hk6 s VAL 76 Cb -0.05 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1hk6 s VAL 76 CO -0.00 0.45 0.23 -0.89 0.00 0.00 0.00 175.10 174.89 1hk6 s THR 77 N 0.61 5.35 -0.00 3.92 2.01 -0.38 -2.00 115.64 125.13 1hk6 s THR 77 Ca -0.15 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.29 1hk6 s THR 77 Cb -0.16 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1hk6 s THR 77 CO 0.05 0.57 -0.06 0.42 -0.69 0.00 0.00 174.62 174.91 1hk6 s THR 78 N -0.80 0.47 0.17 -0.82 -4.23 -1.13 -3.99 115.64 105.33 1hk6 s THR 78 Ca 0.17 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.26 1hk6 s THR 78 Cb -0.13 -0.41 0.06 0.00 1.34 0.00 0.00 72.50 73.36 1hk6 s THR 78 CO 0.06 0.12 1.76 0.11 -0.54 0.00 0.00 174.62 176.13 1hk6 h LYS 79 N 5.95 0.36 0.26 3.99 1.57 -1.85 -2.80 116.57 124.06 1hk6 h LYS 79 Ca -0.29 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1hk6 h LYS 79 Cb 1.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1hk6 h LYS 79 CO 0.50 0.24 -0.13 0.66 -0.57 0.00 0.00 179.45 180.15 1hk6 h SER 80 N 0.37 -0.30 0.00 0.86 4.64 -1.97 -3.44 113.55 113.71 1hk6 h SER 80 Ca 0.20 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1hk6 h SER 80 Cb 0.17 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1hk6 h SER 80 CO -0.18 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 1hk6 n GLY 81 N -0.48 0.70 0.00 -0.77 0.00 -1.07 -5.02 105.19 98.55 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 2.45 3.68 -0.02 0.00 -1.14 -4.69 105.19 110.47 1hk6 n GLY 82 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 4.19 4.26 0.00 1.61 2.20 -1.26 -2.82 119.74 127.92 1hk6 s LYS 83 Ca 0.00 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 1hk6 s LYS 83 Cb 0.00 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1hk6 s LYS 83 CO 0.00 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1hk6 n GLY 84 N 3.69 0.69 0.00 5.54 0.00 -0.85 -4.81 105.19 109.45 1hk6 n GLY 84 Ca 0.14 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.08 0.00 -3.59 2.61 -2.24 -1.15 -4.66 114.28 105.17 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 -0.55 -0.57 0.00 0.00 175.07 173.95 1hk6 s SER 86 N -0.96 -0.45 0.21 3.42 0.15 -1.23 -2.72 113.70 112.13 1hk6 s SER 86 Ca 0.00 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.35 1hk6 s SER 86 Cb 0.00 1.27 0.15 0.00 -1.71 0.00 0.00 66.02 65.73 1hk6 s SER 86 CO 0.00 -0.11 1.50 0.71 1.20 0.00 0.00 173.24 176.54 1hk6 h THR 87 N 5.10 1.38 -3.57 6.45 1.35 -1.93 -3.44 112.91 118.24 1hk6 h THR 87 Ca -0.25 -2.04 -0.46 0.00 -0.55 0.00 0.00 66.41 63.12 1hk6 h THR 87 Cb 1.17 2.02 0.10 0.00 -1.73 0.00 0.00 68.15 69.72 1hk6 h THR 87 CO 0.18 0.61 0.27 0.68 -0.25 0.00 0.00 175.52 177.00 1hk6 s VAL 88 N -3.72 2.16 -0.24 6.82 -7.23 -1.26 -5.12 120.40 111.81 1hk6 s VAL 88 Ca -0.05 -0.24 -0.18 0.00 -1.81 0.00 0.00 61.98 59.69 1hk6 s VAL 88 Cb 0.11 -2.91 0.07 0.00 0.56 0.00 0.00 36.38 34.21 1hk6 s VAL 88 CO 0.82 0.00 0.62 -0.94 -0.31 0.00 0.00 175.10 175.29 1hk6 s SER 89 N -4.66 -0.73 -0.11 4.85 1.04 -1.26 -4.48 113.70 108.35 1hk6 s SER 89 Ca 0.65 1.29 -0.24 0.00 0.48 0.00 0.00 55.95 58.13 1hk6 s SER 89 Cb -0.08 1.25 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 1hk6 s SER 89 CO 0.47 -0.22 0.77 0.12 0.98 0.00 0.00 173.24 175.36 1hk6 s PHE 90 N 0.88 3.51 -0.24 5.02 5.36 -1.11 -4.92 117.98 126.47 1hk6 s PHE 90 Ca -0.04 1.26 -0.26 0.00 -0.96 0.00 0.00 56.93 56.94 1hk6 s PHE 90 Cb -0.05 -2.91 -0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1hk6 s PHE 90 CO -0.07 -0.07 0.88 0.21 -1.46 0.00 0.00 175.22 174.71 1hk6 s LYS 91 N 1.42 4.19 -0.03 10.12 2.20 -1.26 -4.30 119.74 132.08 1hk6 s LYS 91 Ca 0.38 1.02 -0.25 0.00 -0.36 0.00 0.00 55.97 56.77 1hk6 s LYS 91 Cb -0.17 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1hk6 s LYS 91 CO 0.16 -0.55 0.76 -1.17 -0.36 0.00 0.00 175.35 174.18 1hk6 s LEU 92 N 2.94 4.36 -0.07 5.43 2.96 -1.26 -3.36 118.68 129.67 1hk6 s LEU 92 Ca 0.37 1.32 -0.14 0.00 -0.22 0.00 0.00 54.13 55.46 1hk6 s LEU 92 Cb -0.15 -3.19 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 1hk6 s LEU 92 CO 0.07 -0.10 0.36 -0.76 -1.32 0.00 0.00 176.35 174.60 1hk6 s LEU 93 N 0.61 4.38 0.32 -0.68 1.43 -1.05 -4.91 118.68 118.79 1hk6 s LEU 93 Ca 0.40 0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 1hk6 s LEU 93 Cb -0.19 -2.49 -0.11 0.00 0.03 0.00 0.00 46.19 43.44 1hk6 s LEU 93 CO 0.21 0.24 1.44 -0.54 0.23 0.00 0.00 176.35 177.93 1hk6 s LYS 94 N -0.47 4.22 0.27 1.70 1.02 -1.26 -3.94 119.74 121.28 1hk6 s LYS 94 Ca 0.21 2.41 -0.30 0.00 0.02 0.00 0.00 55.97 58.30 1hk6 s LYS 94 Cb -0.15 -3.04 -0.12 0.00 -0.52 0.00 0.00 37.83 34.00 1hk6 s LYS 94 CO 0.09 -0.43 1.63 -1.25 -0.92 0.00 0.00 175.35 174.48 1hk6 s PRO 95 N -1.31 4.12 -1.08 -1.68 0.04 -1.26 -4.86 135.00 128.96 1hk6 s PRO 95 Ca 0.55 2.59 -0.22 0.00 0.04 0.00 0.00 61.00 63.97 1hk6 s PRO 95 Cb -0.44 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 1hk6 s PRO 95 CO 0.53 -0.67 1.92 0.39 0.04 0.00 0.00 177.00 179.21 1hk6 n GLU 96 N 2.60 1.74 0.00 4.56 1.02 -1.26 -5.20 120.64 124.10 1hk6 n GLU 96 Ca 0.10 -2.37 0.02 0.00 -0.02 0.00 0.00 57.16 54.90 1hk6 n GLU 96 Cb 0.37 -3.47 0.13 0.00 -0.02 0.00 0.00 31.44 28.45 1hk6 n GLU 96 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94