#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 4.16 0.28 -0.41 0.00 -1.26 -4.92 119.30 117.14 1hk6 s MET 4 Ca 0.00 2.51 -0.30 0.00 0.00 0.00 0.00 55.69 57.90 1hk6 s MET 4 Cb 0.00 -3.03 -0.11 0.00 0.00 0.00 0.00 34.83 31.69 1hk6 s MET 4 CO 0.00 -0.54 1.56 0.50 0.00 0.00 0.00 175.02 176.54 1hk6 s ARG 5 N -1.01 4.15 0.20 3.16 6.06 -1.26 -4.92 118.95 125.33 1hk6 s ARG 5 Ca 0.59 2.52 -0.32 0.00 -2.50 0.00 0.00 55.73 56.01 1hk6 s ARG 5 Cb -0.46 -3.04 -0.12 0.00 0.06 0.00 0.00 34.95 31.39 1hk6 s ARG 5 CO 0.52 -0.59 1.69 1.14 -2.50 0.00 0.00 175.30 175.56 1hk6 s GLN 6 N -0.44 4.14 0.28 5.12 -2.07 -1.26 -4.60 119.66 120.83 1hk6 s GLN 6 Ca 0.63 2.56 -0.29 0.00 -1.82 0.00 0.00 55.36 56.43 1hk6 s GLN 6 Cb -0.46 -3.09 -0.10 0.00 -1.09 0.00 0.00 33.01 28.27 1hk6 s GLN 6 CO 0.47 -0.72 1.26 -1.25 -1.32 0.00 0.00 175.29 173.72 1hk6 s PRO 7 N 1.15 4.43 0.15 9.60 0.04 -1.26 -4.81 135.00 144.30 1hk6 s PRO 7 Ca 0.74 2.08 -0.32 0.00 0.04 0.00 0.00 61.00 63.53 1hk6 s PRO 7 Cb -0.49 -3.13 -0.12 0.00 0.04 0.00 0.00 34.50 30.80 1hk6 s PRO 7 CO 0.32 -0.11 1.74 -0.35 0.04 0.00 0.00 177.00 178.64 1hk6 n PRO 8 N 1.37 2.58 -3.83 0.56 -0.04 -1.26 -4.69 135.00 129.69 1hk6 n PRO 8 Ca 0.01 0.93 -0.36 0.00 -0.04 0.00 0.00 63.50 64.05 1hk6 n PRO 8 Cb 0.43 -2.78 -0.13 0.00 -0.04 0.00 0.00 33.50 30.98 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 1.82 3.40 -0.00 1.53 2.96 -0.69 -0.94 118.68 126.76 1hk6 s LEU 9 Ca 0.80 -0.54 -0.27 0.00 -0.22 0.00 0.00 54.13 53.90 1hk6 s LEU 9 Cb -0.55 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1hk6 s LEU 9 CO 0.37 -0.10 0.84 -0.69 -1.32 0.00 0.00 176.35 175.44 1hk6 s VAL 10 N 1.49 4.87 -0.34 1.68 1.01 -0.50 0.14 120.40 128.75 1hk6 s VAL 10 Ca 0.04 1.76 0.15 0.00 0.00 0.00 0.00 61.98 63.93 1hk6 s VAL 10 Cb -0.16 -4.18 0.44 0.00 0.00 0.00 0.00 36.38 32.47 1hk6 s VAL 10 CO 0.00 0.25 1.17 0.35 0.00 0.00 0.00 175.10 176.87 1hk6 n THR 11 N 3.54 0.57 -3.63 3.92 -2.24 0.23 -3.27 114.28 113.41 1hk6 n THR 11 Ca 0.02 -2.29 -0.04 0.00 -2.27 0.00 0.00 64.05 59.47 1hk6 n THR 11 Cb 0.51 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.32 0.09 -0.28 3.38 0.00 -0.23 -4.76 107.32 103.19 1hk6 s GLY 12 Ca 0.24 2.87 -0.17 0.00 0.00 0.00 0.00 44.72 47.66 1hk6 s GLY 12 CO -0.03 1.30 0.73 -1.50 0.00 0.00 0.00 173.10 173.60 1hk6 s ILE 13 N -0.76 0.00 0.03 0.90 2.07 -1.26 -2.62 121.20 119.56 1hk6 s ILE 13 Ca 0.07 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.00 1hk6 s ILE 13 Cb -0.02 -1.00 -0.17 0.00 0.13 0.00 0.00 42.46 41.40 1hk6 s ILE 13 CO -0.08 0.00 1.31 -1.28 -1.91 0.00 0.00 174.94 172.98 1hk6 h SER 14 N 6.76 -0.89 0.00 4.50 0.87 -1.95 -3.45 113.55 119.39 1hk6 h SER 14 Ca -0.30 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1hk6 h SER 14 Cb 1.22 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1hk6 h SER 14 CO 0.16 -0.54 0.00 -2.65 -0.53 0.00 0.00 176.83 173.27 1hk6 n PRO 15 N -5.48 2.78 0.00 2.24 -0.02 -1.26 -5.04 135.00 128.22 1hk6 n PRO 15 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1hk6 n PRO 15 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1hk6 n PRO 15 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1hk6 n ASN 16 N 0.00 0.00 -3.64 2.55 2.85 -1.26 -5.11 115.26 110.65 1hk6 n ASN 16 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 1hk6 n ASN 16 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 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 -0.11 0.61 0.00 1.20 -1.05 -1.26 -3.58 118.70 114.51 1hk6 s GLU 17 Ca 0.00 1.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.89 1hk6 s GLU 17 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 1hk6 s GLU 17 CO 0.00 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1hk6 n GLY 18 N 4.20 1.11 3.38 -3.83 0.00 -0.94 -4.92 105.19 104.19 1hk6 n GLY 18 Ca -0.19 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.13 0.07 -0.22 -0.61 -5.35 -1.25 -1.58 119.36 110.29 1hk6 n ILE 19 Ca 0.00 -0.23 0.02 0.00 -0.27 0.00 0.00 62.75 62.27 1hk6 n ILE 19 Cb 0.00 -0.56 0.11 0.00 -1.74 0.00 0.00 39.64 37.45 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 -1.46 0.09 0.00 6.28 0.11 -1.81 0.13 132.00 135.34 1hk6 h PRO 20 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1hk6 h PRO 20 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1hk6 h PRO 20 CO 0.33 0.06 0.00 0.91 -0.21 0.00 0.00 178.00 179.10 1hk6 n TRP 21 N -5.32 0.00 -2.06 0.65 7.02 -1.26 -3.20 117.44 113.27 1hk6 n TRP 21 Ca 0.10 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.16 1hk6 n TRP 21 Cb 0.38 -0.28 -0.03 0.00 -2.42 0.00 0.00 31.31 28.96 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 -2.57 3.26 0.16 -0.99 2.01 0.45 -4.85 115.64 113.11 1hk6 s THR 22 Ca 0.08 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 1hk6 s THR 22 Cb 0.06 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.01 1hk6 s THR 22 CO 0.13 0.01 1.26 -0.75 -0.69 0.00 0.00 174.62 174.59 1hk6 s LYS 23 N 2.23 4.42 -0.07 4.92 2.20 -1.26 -3.51 119.74 128.66 1hk6 s LYS 23 Ca 0.69 1.95 0.01 0.00 -0.36 0.00 0.00 55.97 58.25 1hk6 s LYS 23 Cb -0.37 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1hk6 s LYS 23 CO 0.30 -0.22 -0.07 0.14 -0.36 0.00 0.00 175.35 175.14 1hk6 s VAL 24 N 0.37 0.80 -0.13 4.02 -7.23 -1.18 -4.82 120.40 112.23 1hk6 s VAL 24 Ca 0.57 -0.23 -0.26 0.00 -1.81 0.00 0.00 61.98 60.25 1hk6 s VAL 24 Cb -0.34 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 1hk6 s VAL 24 CO 0.35 0.30 0.85 -0.89 -0.31 0.00 0.00 175.10 175.40 1hk6 s THR 25 N 1.18 4.89 0.18 5.32 2.01 -1.26 -3.52 115.64 124.45 1hk6 s THR 25 Ca -0.06 1.70 -0.28 0.00 0.31 0.00 0.00 61.69 63.36 1hk6 s THR 25 Cb -0.14 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 1hk6 s THR 25 CO -0.02 0.07 0.86 -0.63 -0.69 0.00 0.00 174.62 174.22 1hk6 s ILE 26 N 1.80 4.28 -0.10 1.82 1.01 -0.63 -3.75 121.20 125.63 1hk6 s ILE 26 Ca 0.41 1.89 -0.06 0.00 0.00 0.00 0.00 60.65 62.89 1hk6 s ILE 26 Cb -0.17 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.10 1hk6 s ILE 26 CO 0.16 0.49 0.24 -0.13 0.00 0.00 0.00 174.94 175.69 1hk6 s ARG 27 N -1.00 0.22 0.00 2.79 1.81 -1.08 -2.85 118.95 118.85 1hk6 s ARG 27 Ca 0.39 0.47 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 1hk6 s ARG 27 Cb -0.24 -0.05 0.00 0.00 -0.45 0.00 0.00 34.95 34.21 1hk6 s ARG 27 CO 0.29 -0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.19 1hk6 n GLY 28 N 3.85 1.81 3.11 -3.53 0.00 -1.25 -0.60 105.19 108.59 1hk6 n GLY 28 Ca -0.22 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 4.05 0.26 -1.25 1.61 2.02 0.12 -4.76 118.70 120.74 1hk6 s GLU 29 Ca 0.00 0.51 -0.06 0.00 0.02 0.00 0.00 54.97 55.44 1hk6 s GLU 29 Cb 0.00 -0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.21 1hk6 s GLU 29 CO 0.00 -0.13 1.08 0.09 0.02 0.00 0.00 175.26 176.33 1hk6 n ASN 30 N 3.85 -5.12 -2.10 -0.19 3.02 -1.22 -1.70 115.26 111.80 1hk6 n ASN 30 Ca -0.21 -0.53 -0.15 0.00 -0.03 0.00 0.00 54.58 53.65 1hk6 n ASN 30 Cb 0.55 -4.82 -0.12 0.00 -0.61 0.00 0.00 39.78 34.78 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 -4.57 5.61 -1.03 3.41 4.32 -1.03 -4.08 117.00 119.63 1hk6 n LEU 31 Ca -0.06 -3.37 0.00 0.00 -0.02 0.00 0.00 56.01 52.56 1hk6 n LEU 31 Cb 0.58 -1.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 1hk6 n LEU 31 CO 0.61 1.65 -0.19 0.61 -1.22 0.00 0.00 177.39 178.84 1hk6 n GLY 32 N 1.94 -4.27 2.12 -0.72 0.00 -1.26 -4.39 105.19 98.61 1hk6 n GLY 32 Ca 0.41 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1hk6 n GLY 32 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hk6 n THR 33 N 0.53 3.06 0.00 2.61 5.66 -1.26 -3.85 114.28 121.03 1hk6 n THR 33 Ca 0.00 -2.22 0.00 0.00 -3.05 0.00 0.00 64.05 58.78 1hk6 n THR 33 Cb 0.00 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 1hk6 n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1hk6 n GLY 34 N 0.23 1.92 0.30 1.09 0.00 -1.26 -4.97 105.19 102.50 1hk6 n GLY 34 Ca 0.40 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 0.65 -0.23 1.61 0.11 -1.97 -0.19 132.00 131.98 1hk6 h PRO 35 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1hk6 h PRO 35 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1hk6 h PRO 35 CO 0.00 0.43 0.05 1.79 -0.21 0.00 0.00 178.00 180.06 1hk6 h THR 36 N 0.67 1.12 0.00 -1.15 1.35 -1.99 -3.00 112.91 109.92 1hk6 h THR 36 Ca 0.41 -0.43 -0.10 0.00 -0.55 0.00 0.00 66.41 65.74 1hk6 h THR 36 Cb 0.47 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 67.75 1hk6 h THR 36 CO -0.30 0.15 -0.17 0.47 -0.25 0.00 0.00 175.52 175.43 1hk6 n ASP 37 N -4.39 4.71 -2.71 5.36 8.00 -0.08 -3.78 116.55 123.66 1hk6 n ASP 37 Ca 0.00 -2.32 -0.07 0.00 0.71 0.00 0.00 54.79 53.11 1hk6 n ASP 37 Cb 0.16 -1.16 0.10 0.00 -0.02 0.00 0.00 41.12 40.20 1hk6 n ASP 37 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1hk6 n LEU 38 N 2.13 -2.03 -0.12 0.64 0.00 -1.13 -4.49 117.00 112.00 1hk6 n LEU 38 Ca 0.22 -3.38 -0.07 0.00 0.00 0.00 0.00 56.01 52.79 1hk6 n LEU 38 Cb 0.66 0.57 0.10 0.00 0.00 0.00 0.00 43.42 44.75 1hk6 n LEU 38 CO 0.08 1.92 0.79 0.16 0.00 0.00 0.00 177.39 180.34 1hk6 h ILE 39 N 2.28 1.26 -3.80 1.96 3.07 -1.70 -3.43 117.51 117.14 1hk6 h ILE 39 Ca -0.21 -1.18 -0.68 0.00 1.55 0.00 0.00 64.86 64.33 1hk6 h ILE 39 Cb 1.20 1.01 -0.22 0.00 -0.27 0.00 0.00 36.82 38.53 1hk6 h ILE 39 CO 0.02 0.41 -0.73 -0.83 -1.05 0.00 0.00 178.15 175.97 1hk6 s GLY 40 N -3.75 1.61 -0.12 0.16 0.00 -1.25 -5.03 107.32 98.93 1hk6 s GLY 40 Ca -0.10 -0.93 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 1hk6 s GLY 40 CO 0.83 -0.66 0.31 -2.27 0.00 0.00 0.00 173.10 171.31 1hk6 s LEU 41 N -0.65 0.47 -0.03 0.66 1.98 -1.26 -1.55 118.68 118.30 1hk6 s LEU 41 Ca 0.10 0.64 -0.10 0.00 -2.89 0.00 0.00 54.13 51.87 1hk6 s LEU 41 Cb -0.11 1.00 0.02 0.00 0.66 0.00 0.00 46.19 47.75 1hk6 s LEU 41 CO 0.01 -0.15 0.23 0.42 -1.89 0.00 0.00 176.35 174.98 1hk6 s THR 42 N 0.85 0.05 -0.16 3.68 -4.23 -0.99 -2.08 115.64 112.75 1hk6 s THR 42 Ca -0.06 -0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1hk6 s THR 42 Cb -0.07 -0.48 0.04 0.00 1.34 0.00 0.00 72.50 73.33 1hk6 s THR 42 CO -0.06 -0.23 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.10 1hk6 s ILE 43 N -0.94 1.13 0.00 2.99 1.01 -0.63 -2.65 121.20 122.12 1hk6 s ILE 43 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1hk6 s ILE 43 Cb -0.05 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1hk6 s ILE 43 CO 0.02 0.18 0.00 0.00 0.00 0.00 0.00 174.94 175.14 1hk6 n GLY 45 N 0.00 1.28 3.75 0.00 0.00 -1.26 -1.42 105.19 107.54 1hk6 n GLY 45 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.96 0.47 1.61 0.00 -1.16 -4.96 115.29 115.22 1hk6 s HIS 46 Ca 0.00 1.88 -0.25 0.00 -3.00 0.00 0.00 55.06 53.69 1hk6 s HIS 46 Cb 0.00 -2.96 -0.08 0.00 -4.00 0.00 0.00 32.58 25.54 1hk6 s HIS 46 CO 0.00 0.44 1.41 -0.80 -1.00 0.00 0.00 174.74 174.79 1hk6 s ASN 47 N -1.06 5.77 -0.26 7.38 -0.87 -1.26 -1.60 114.94 123.04 1hk6 s ASN 47 Ca 0.41 2.88 0.20 0.00 -1.57 0.00 0.00 52.86 54.78 1hk6 s ASN 47 Cb -0.25 -2.65 0.47 0.00 -0.02 0.00 0.00 41.25 38.79 1hk6 s ASN 47 CO 0.31 -1.24 1.22 0.00 -2.57 0.00 0.00 177.10 174.82 1hk6 h LEU 49 N 2.04 0.66 -0.91 0.00 5.85 -1.92 -0.42 115.31 120.61 1hk6 h LEU 49 Ca -0.23 -0.53 0.09 0.00 0.84 0.00 0.00 57.88 58.05 1hk6 h LEU 49 Cb 1.32 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1hk6 h LEU 49 CO 0.07 1.06 0.56 0.17 -0.34 0.00 0.00 178.44 179.96 1hk6 h LEU 50 N 0.28 0.84 0.10 2.25 -0.00 -1.94 -2.06 115.31 114.78 1hk6 h LEU 50 Ca 0.02 0.03 -0.26 0.00 -0.00 0.00 0.00 57.88 57.67 1hk6 h LEU 50 Cb 0.93 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 1hk6 h LEU 50 CO 0.08 0.50 -1.20 0.71 -0.00 0.00 0.00 178.44 178.52 1hk6 h THR 51 N 0.95 1.53 -3.03 0.15 1.35 -1.92 -3.45 112.91 108.49 1hk6 h THR 51 Ca 0.42 -3.09 -0.54 0.00 -0.55 0.00 0.00 66.41 62.64 1hk6 h THR 51 Cb 0.31 2.92 0.08 0.00 -1.73 0.00 0.00 68.15 69.73 1hk6 h THR 51 CO -0.22 0.90 0.84 0.00 -0.25 0.00 0.00 175.52 176.79 1hk6 n ALA 52 N -2.51 2.24 -3.86 6.62 0.00 -0.17 -4.55 120.51 118.28 1hk6 n ALA 52 Ca -0.07 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 1hk6 n ALA 52 Cb 1.01 -2.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.21 2.04 0.47 0.00 2.12 0.36 -4.92 118.70 118.55 1hk6 s GLU 53 Ca 0.67 -0.47 -0.22 0.00 0.36 0.00 0.00 54.97 55.31 1hk6 s GLU 53 Cb -0.54 -1.87 -0.07 0.00 0.26 0.00 0.00 34.13 31.91 1hk6 s GLU 53 CO 0.46 -0.18 1.14 -0.46 -0.54 0.00 0.00 175.26 175.68 1hk6 s TRP 54 N 1.36 2.90 0.00 5.30 -0.00 -1.26 -2.59 118.94 124.65 1hk6 s TRP 54 Ca 0.01 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 1hk6 s TRP 54 Cb -0.13 -3.31 0.00 0.00 -0.00 0.00 0.00 33.47 30.03 1hk6 s TRP 54 CO -0.07 -1.35 0.00 -1.33 -0.00 0.00 0.00 176.95 174.20 1hk6 n MET 55 N -0.59 0.00 -3.88 5.86 2.81 -1.24 -4.98 117.12 115.10 1hk6 n MET 55 Ca 0.08 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.88 1hk6 n MET 55 Cb 0.49 -0.23 -0.01 0.00 -0.71 0.00 0.00 33.22 32.76 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 -2.29 0.04 0.00 7.83 1.04 -1.22 -4.99 113.70 114.12 1hk6 s SER 56 Ca 0.00 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 1hk6 s SER 56 Cb 0.00 0.76 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 1hk6 s SER 56 CO 0.00 -1.48 1.97 0.00 0.98 0.00 0.00 173.24 174.71 1hk6 n ALA 57 N -0.50 3.98 0.00 5.32 0.00 -1.25 -3.48 120.51 124.58 1hk6 n ALA 57 Ca -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1hk6 n ALA 57 Cb 0.60 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1hk6 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hk6 n SER 58 N 1.78 0.00 -4.74 0.00 2.88 -1.26 -2.47 113.62 109.81 1hk6 n SER 58 Ca 0.07 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.22 1hk6 n SER 58 Cb 0.49 0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1hk6 s LYS 59 N -1.09 4.46 -0.21 -1.46 2.20 -1.23 -3.65 119.74 118.76 1hk6 s LYS 59 Ca 0.00 0.99 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 1hk6 s LYS 59 Cb 0.00 -3.39 0.11 0.00 -1.51 0.00 0.00 37.83 33.04 1hk6 s LYS 59 CO 0.00 0.22 0.37 0.42 -0.36 0.00 0.00 175.35 176.00 1hk6 s ILE 60 N 0.20 -0.58 -0.15 5.43 1.01 -1.13 -3.37 121.20 122.60 1hk6 s ILE 60 Ca 0.38 0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.82 1hk6 s ILE 60 Cb -0.19 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1hk6 s ILE 60 CO 0.21 -0.02 0.93 -0.69 0.00 0.00 0.00 174.94 175.37 1hk6 s VAL 61 N 2.54 4.82 -0.29 2.92 1.01 -1.07 -1.60 120.40 128.73 1hk6 s VAL 61 Ca 0.06 1.86 -0.18 0.00 0.00 0.00 0.00 61.98 63.71 1hk6 s VAL 61 Cb -0.14 -4.23 0.16 0.00 0.00 0.00 0.00 36.38 32.17 1hk6 s VAL 61 CO -0.13 -0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.02 1hk6 s ARG 63 N 1.06 4.41 0.00 0.00 0.52 -1.26 -3.10 118.95 120.57 1hk6 s ARG 63 Ca -0.06 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1hk6 s ARG 63 Cb -0.04 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.24 1hk6 s ARG 63 CO -0.13 0.57 0.00 1.33 0.02 0.00 0.00 175.30 177.09 1hk6 n VAL 64 N 1.50 0.00 0.00 3.52 0.24 -1.19 -4.95 118.33 117.44 1hk6 n VAL 64 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 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 1.69 -0.37 3.65 7.63 0.00 -1.21 -4.64 105.19 111.93 1hk6 n GLY 65 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.10 0.43 1.61 -2.07 -1.26 -4.59 119.66 113.88 1hk6 s GLN 66 Ca 0.00 0.13 -0.24 0.00 -1.82 0.00 0.00 55.36 53.43 1hk6 s GLN 66 Cb 0.00 0.04 -0.08 0.00 -1.09 0.00 0.00 33.01 31.88 1hk6 s GLN 66 CO 0.00 -0.01 1.16 0.00 -1.32 0.00 0.00 175.29 175.12 1hk6 s ALA 67 N 0.29 3.05 0.00 2.60 0.00 -1.26 -4.34 121.76 122.09 1hk6 s ALA 67 Ca 0.03 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1hk6 s ALA 67 Cb -0.04 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1hk6 s ALA 67 CO -0.14 -0.59 0.00 1.63 0.00 0.00 0.00 175.76 176.66 1hk6 n LYS 68 N -0.25 0.00 -0.09 0.00 5.02 -1.10 -4.93 118.16 116.81 1hk6 n LYS 68 Ca 0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 1hk6 n LYS 68 Cb 0.47 -0.12 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 1hk6 n LYS 68 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1hk6 h ASN 69 N 0.00 0.39 0.00 4.39 2.35 -1.59 -3.46 115.58 117.66 1hk6 h ASN 69 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1hk6 h ASN 69 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1hk6 h ASN 69 CO 0.00 0.43 0.00 -0.67 -1.65 0.00 0.00 177.43 175.54 1hk6 n ASP 70 N -4.77 0.00 0.00 5.81 -0.08 -1.26 -5.03 116.55 111.22 1hk6 n ASP 70 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1hk6 n ASP 70 Cb 0.12 0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1hk6 n ASP 70 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1hk6 n LYS 71 N -1.13 0.00 0.00 -0.67 2.85 -1.26 -5.04 118.16 112.90 1hk6 n LYS 71 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1hk6 n LYS 71 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1hk6 n GLY 72 N -1.50 0.00 3.70 2.58 0.00 -1.26 -4.50 105.19 104.21 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 0.99 0.00 0.00 0.00 173.32 174.31 1hk6 s ASP 73 N 0.00 6.75 0.05 1.61 1.11 -1.26 -2.47 116.67 122.46 1hk6 s ASP 73 Ca 0.00 2.36 -0.24 0.00 0.18 0.00 0.00 52.55 54.85 1hk6 s ASP 73 Cb 0.00 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.35 1hk6 s ASP 73 CO 0.00 -0.74 0.72 -0.63 1.18 0.00 0.00 175.17 175.69 1hk6 s ILE 74 N 1.72 4.72 -0.01 0.77 1.01 -1.25 -2.14 121.20 126.03 1hk6 s ILE 74 Ca 0.67 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.88 1hk6 s ILE 74 Cb -0.37 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.03 1hk6 s ILE 74 CO 0.30 0.41 -0.07 -0.63 0.00 0.00 0.00 174.94 174.94 1hk6 s ILE 75 N -0.29 0.60 -0.06 2.92 -1.09 -1.08 -4.12 121.20 118.07 1hk6 s ILE 75 Ca 0.36 -0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.44 1hk6 s ILE 75 Cb -0.20 -0.51 0.04 0.00 -1.58 0.00 0.00 42.46 40.21 1hk6 s ILE 75 CO 0.22 0.17 0.10 0.54 -1.23 0.00 0.00 174.94 174.74 1hk6 s VAL 76 N -0.14 -0.15 0.09 2.92 0.11 -1.26 -2.36 120.40 119.61 1hk6 s VAL 76 Ca 0.02 0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 59.28 1hk6 s VAL 76 Cb -0.03 -0.20 -0.06 0.00 -1.53 0.00 0.00 36.38 34.55 1hk6 s VAL 76 CO -0.00 0.14 0.47 -0.89 -3.33 0.00 0.00 175.10 171.49 1hk6 s THR 77 N 1.92 4.95 -0.02 5.04 2.01 -0.60 -1.27 115.64 127.68 1hk6 s THR 77 Ca 0.00 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.78 1hk6 s THR 77 Cb -0.12 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1hk6 s THR 77 CO -0.04 0.36 -0.06 0.42 -0.69 0.00 0.00 174.62 174.61 1hk6 s THR 78 N -1.32 0.56 0.15 -0.82 -4.23 -1.12 -3.96 115.64 104.90 1hk6 s THR 78 Ca 0.32 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 1hk6 s THR 78 Cb -0.15 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.18 1hk6 s THR 78 CO 0.17 0.18 1.76 0.11 -0.54 0.00 0.00 174.62 176.31 1hk6 h LYS 79 N 6.37 0.27 0.37 3.99 1.57 -1.87 -3.03 116.57 124.24 1hk6 h LYS 79 Ca -0.32 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1hk6 h LYS 79 Cb 1.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1hk6 h LYS 79 CO 0.49 0.18 -0.18 0.66 -0.57 0.00 0.00 179.45 180.03 1hk6 h SER 80 N 0.28 -0.43 0.00 0.86 4.64 -1.96 -3.44 113.55 113.50 1hk6 h SER 80 Ca 0.14 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1hk6 h SER 80 Cb 0.10 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1hk6 h SER 80 CO -0.13 -0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 1hk6 n GLY 81 N -0.65 0.73 0.00 -0.77 0.00 -1.15 -4.48 105.19 98.88 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 3.12 3.70 -0.02 0.00 -1.19 -4.77 105.19 111.03 1hk6 n GLY 82 Ca 0.00 -0.08 -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 4.90 4.17 0.09 1.61 2.20 -1.26 -2.78 119.74 128.67 1hk6 s LYS 83 Ca 0.00 2.47 -0.28 0.00 -0.36 0.00 0.00 55.97 57.80 1hk6 s LYS 83 Cb 0.00 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 1hk6 s LYS 83 CO 0.00 -0.76 0.89 0.20 -0.36 0.00 0.00 175.35 175.32 1hk6 s GLY 84 N 2.16 2.93 -0.01 5.54 0.00 -0.40 -4.61 107.32 112.94 1hk6 s GLY 84 Ca 0.76 0.47 -0.04 0.00 0.00 0.00 0.00 44.72 45.91 1hk6 s GLY 84 CO 0.34 1.32 0.21 -0.51 0.00 0.00 0.00 173.10 174.45 1hk6 s THR 85 N -0.04 5.40 -0.06 0.90 -4.23 -0.12 -4.22 115.64 113.27 1hk6 s THR 85 Ca 0.44 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1hk6 s THR 85 Cb -0.22 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.11 1hk6 s THR 85 CO 0.27 0.34 0.11 -0.94 -0.54 0.00 0.00 174.62 173.87 1hk6 s SER 86 N -1.85 0.74 -0.34 3.99 1.04 -1.26 -1.41 113.70 114.62 1hk6 s SER 86 Ca 0.27 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.92 1hk6 s SER 86 Cb -0.13 0.08 0.40 0.00 0.10 0.00 0.00 66.02 66.47 1hk6 s SER 86 CO 0.17 -0.23 1.73 0.35 0.98 0.00 0.00 173.24 176.25 1hk6 n THR 87 N 5.09 2.63 -3.73 2.02 -2.24 -1.20 -4.79 114.28 112.06 1hk6 n THR 87 Ca -0.09 -1.50 -0.14 0.00 -2.27 0.00 0.00 64.05 60.05 1hk6 n THR 87 Cb 0.50 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.46 0.05 -0.05 2.28 -7.23 -1.26 -5.03 120.40 106.70 1hk6 s VAL 88 Ca 0.39 -0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 60.08 1hk6 s VAL 88 Cb 0.32 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.57 1hk6 s VAL 88 CO 0.05 -0.24 0.12 -0.94 -0.31 0.00 0.00 175.10 173.77 1hk6 s SER 89 N -1.43 -0.10 -0.09 4.85 1.04 -1.26 -3.87 113.70 112.84 1hk6 s SER 89 Ca -0.12 0.24 -0.24 0.00 0.48 0.00 0.00 55.95 56.31 1hk6 s SER 89 Cb -0.04 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1hk6 s SER 89 CO 0.04 -0.09 0.75 0.12 0.98 0.00 0.00 173.24 175.03 1hk6 s PHE 90 N 0.63 3.54 -0.22 5.02 5.36 -1.03 -4.90 117.98 126.37 1hk6 s PHE 90 Ca -0.05 1.27 -0.25 0.00 -0.96 0.00 0.00 56.93 56.95 1hk6 s PHE 90 Cb -0.06 -2.88 -0.01 0.00 -0.34 0.00 0.00 43.02 39.73 1hk6 s PHE 90 CO -0.03 -0.01 0.82 0.21 -1.46 0.00 0.00 175.22 174.75 1hk6 s LYS 91 N 1.19 4.21 -0.13 10.12 2.20 -1.23 -4.39 119.74 131.71 1hk6 s LYS 91 Ca 0.38 0.95 -0.20 0.00 -0.36 0.00 0.00 55.97 56.74 1hk6 s LYS 91 Cb -0.18 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1hk6 s LYS 91 CO 0.17 -0.46 0.57 -0.51 -0.36 0.00 0.00 175.35 174.76 1hk6 s LEU 92 N 2.64 4.25 0.17 5.43 1.02 -1.26 -2.20 118.68 128.72 1hk6 s LEU 92 Ca 0.35 0.90 -0.22 0.00 0.02 0.00 0.00 54.13 55.18 1hk6 s LEU 92 Cb -0.16 -2.83 -0.08 0.00 0.02 0.00 0.00 46.19 43.14 1hk6 s LEU 92 CO 0.09 -0.10 0.72 -0.76 0.02 0.00 0.00 176.35 176.32 1hk6 s LEU 93 N 1.02 4.50 0.26 1.79 1.43 -0.62 -4.87 118.68 122.19 1hk6 s LEU 93 Ca 0.29 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.60 1hk6 s LEU 93 Cb -0.16 -3.32 -0.11 0.00 0.03 0.00 0.00 46.19 42.63 1hk6 s LEU 93 CO 0.12 0.16 1.53 -0.54 0.23 0.00 0.00 176.35 177.85 1hk6 s LYS 94 N -1.42 4.20 0.21 1.70 3.01 -1.26 -3.89 119.74 122.28 1hk6 s LYS 94 Ca 0.37 2.43 -0.32 0.00 -1.01 0.00 0.00 55.97 57.44 1hk6 s LYS 94 Cb -0.20 -3.08 -0.13 0.00 -1.01 0.00 0.00 37.83 33.41 1hk6 s LYS 94 CO 0.23 -0.54 1.50 -2.30 0.51 0.00 0.00 175.35 174.75 1hk6 n PRO 95 N 2.48 2.15 -2.23 -1.68 -0.02 -1.26 -4.90 135.00 129.53 1hk6 n PRO 95 Ca 0.08 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 1hk6 n PRO 95 Cb 0.39 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1hk6 n PRO 95 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1hk6 s GLU 96 N 0.15 3.85 0.00 -0.52 0.41 -1.26 -5.20 118.70 116.13 1hk6 s GLU 96 Ca 0.72 1.51 0.05 0.00 -0.41 0.00 0.00 54.97 56.84 1hk6 s GLU 96 Cb -0.65 -3.97 0.31 0.00 -1.78 0.00 0.00 34.13 28.04 1hk6 s GLU 96 CO 0.44 -1.22 0.78 0.36 -0.49 0.00 0.00 175.26 175.14