#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 0.30 0.13 -0.41 0.00 -1.26 -5.14 119.30 112.92 1hk6 s MET 4 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 55.69 55.73 1hk6 s MET 4 Cb 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 34.83 34.88 1hk6 s MET 4 CO 0.00 -0.04 1.60 1.03 0.00 0.00 0.00 175.02 177.61 1hk6 s ARG 5 N 0.15 4.21 0.30 3.16 0.52 -1.26 -4.95 118.95 121.08 1hk6 s ARG 5 Ca 0.05 2.35 -0.29 0.00 -0.52 0.00 0.00 55.73 57.31 1hk6 s ARG 5 Cb -0.05 -3.32 -0.11 0.00 0.52 0.00 0.00 34.95 31.99 1hk6 s ARG 5 CO -0.11 -0.65 1.45 -1.14 0.02 0.00 0.00 175.30 174.88 1hk6 s GLN 6 N 1.70 4.22 0.61 3.54 0.74 -1.26 -4.68 119.66 124.53 1hk6 s GLN 6 Ca 0.71 2.40 -0.19 0.00 0.05 0.00 0.00 55.36 58.34 1hk6 s GLN 6 Cb -0.42 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 1hk6 s GLN 6 CO 0.32 -0.44 1.10 -0.35 -0.55 0.00 0.00 175.29 175.37 1hk6 n PRO 7 N 1.56 1.03 -1.63 1.67 -0.04 -1.26 -4.67 135.00 131.67 1hk6 n PRO 7 Ca 0.04 0.40 -0.45 0.00 -0.04 0.00 0.00 63.50 63.45 1hk6 n PRO 7 Cb 0.40 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1hk6 n PRO 7 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1hk6 n PRO 8 N -1.29 1.63 -3.80 0.54 -0.02 -1.25 -4.84 135.00 125.97 1hk6 n PRO 8 Ca 0.14 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.95 1hk6 n PRO 8 Cb 0.47 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.17 0.88 0.11 2.45 0.20 -0.68 -1.27 118.68 120.53 1hk6 s LEU 9 Ca 0.64 -0.30 -0.28 0.00 0.69 0.00 0.00 54.13 54.89 1hk6 s LEU 9 Cb -0.70 -0.58 -0.06 0.00 -0.43 0.00 0.00 46.19 44.42 1hk6 s LEU 9 CO 0.55 -0.20 0.87 -0.69 -0.29 0.00 0.00 176.35 176.59 1hk6 s VAL 10 N 1.88 4.52 -0.30 1.68 1.01 -0.73 -0.52 120.40 127.95 1hk6 s VAL 10 Ca 0.04 1.87 0.19 0.00 0.00 0.00 0.00 61.98 64.08 1hk6 s VAL 10 Cb -0.13 -4.23 0.47 0.00 0.00 0.00 0.00 36.38 32.49 1hk6 s VAL 10 CO -0.06 0.38 1.24 0.35 0.00 0.00 0.00 175.10 177.01 1hk6 n THR 11 N 2.51 0.80 0.00 3.92 -2.24 0.13 -4.04 114.28 115.36 1hk6 n THR 11 Ca -0.01 -2.28 0.00 0.00 -2.27 0.00 0.00 64.05 59.49 1hk6 n THR 11 Cb 0.49 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1hk6 n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hk6 n GLY 12 N -0.86 1.35 3.64 3.38 0.00 -0.45 -4.84 105.19 107.42 1hk6 n GLY 12 Ca -0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1hk6 n GLY 12 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1hk6 s ILE 13 N -1.85 0.00 0.01 -0.61 2.07 -1.26 -2.18 121.20 117.38 1hk6 s ILE 13 Ca 0.00 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.98 1hk6 s ILE 13 Cb 0.00 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.45 1hk6 s ILE 13 CO 0.00 0.00 1.07 -1.28 -1.91 0.00 0.00 174.94 172.82 1hk6 h SER 14 N 6.41 -0.78 -3.50 4.50 0.87 -1.97 -3.42 113.55 115.67 1hk6 h SER 14 Ca -0.30 0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.67 1hk6 h SER 14 Cb 1.21 0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 63.25 1hk6 h SER 14 CO 0.13 -0.39 0.16 -2.16 -0.53 0.00 0.00 176.83 174.04 1hk6 s PRO 15 N -4.57 4.03 0.45 2.24 0.04 -1.26 -4.92 135.00 131.01 1hk6 s PRO 15 Ca -0.14 0.46 0.25 0.00 0.04 0.00 0.00 61.00 61.61 1hk6 s PRO 15 Cb 0.01 -3.68 0.56 0.00 0.04 0.00 0.00 34.50 31.44 1hk6 s PRO 15 CO 0.41 -0.47 1.69 -0.97 0.04 0.00 0.00 177.00 177.69 1hk6 h ASN 16 N 8.01 0.00 -3.95 6.66 -0.73 -1.94 -3.46 115.58 120.17 1hk6 h ASN 16 Ca -0.27 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 57.84 1hk6 h ASN 16 Cb 1.12 0.00 -0.22 0.00 0.27 0.00 0.00 38.32 39.49 1hk6 h ASN 16 CO 0.78 0.05 0.00 -1.83 -0.37 0.00 0.00 177.43 176.07 1hk6 s GLU 17 N -3.31 0.72 -0.27 6.67 -1.05 -1.26 -2.95 118.70 117.25 1hk6 s GLU 17 Ca 0.05 0.86 -0.28 0.00 -0.15 0.00 0.00 54.97 55.45 1hk6 s GLU 17 Cb 0.06 0.35 0.18 0.00 -0.44 0.00 0.00 34.13 34.28 1hk6 s GLU 17 CO 0.65 -0.09 1.30 0.20 0.95 0.00 0.00 175.26 178.27 1hk6 s GLY 18 N 0.34 0.07 0.98 -3.83 0.00 -1.11 -4.97 107.32 98.80 1hk6 s GLY 18 Ca -0.00 2.83 -0.13 0.00 0.00 0.00 0.00 44.72 47.42 1hk6 s GLY 18 CO 0.01 1.29 0.62 0.29 0.00 0.00 0.00 173.10 175.31 1hk6 n ILE 19 N 0.85 0.00 -0.26 0.90 -5.35 -1.25 -2.71 119.36 111.54 1hk6 n ILE 19 Ca -0.04 -0.17 0.07 0.00 -0.27 0.00 0.00 62.75 62.33 1hk6 n ILE 19 Cb 0.58 -0.76 0.19 0.00 -1.74 0.00 0.00 39.64 37.92 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 -1.82 0.19 0.00 6.28 0.11 -1.83 0.18 132.00 135.11 1hk6 h PRO 20 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hk6 h PRO 20 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hk6 h PRO 20 CO 0.38 0.13 0.00 0.91 -0.21 0.00 0.00 178.00 179.21 1hk6 n TRP 21 N -5.24 0.00 -2.21 0.65 7.02 -1.26 -2.32 117.44 114.09 1hk6 n TRP 21 Ca 0.15 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.21 1hk6 n TRP 21 Cb 0.51 -0.41 -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 -2.83 3.52 -0.08 -0.99 2.01 0.63 -4.79 115.64 113.11 1hk6 s THR 22 Ca 0.13 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1hk6 s THR 22 Cb 0.13 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1hk6 s THR 22 CO 0.33 0.05 1.20 -0.54 -0.69 0.00 0.00 174.62 174.97 1hk6 s LYS 23 N 1.62 4.33 -0.20 4.92 1.02 -1.26 -3.07 119.74 127.09 1hk6 s LYS 23 Ca 0.64 1.65 -0.03 0.00 0.02 0.00 0.00 55.97 58.26 1hk6 s LYS 23 Cb -0.34 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 1hk6 s LYS 23 CO 0.29 -0.50 -0.07 0.14 -0.92 0.00 0.00 175.35 174.29 1hk6 s VAL 24 N 2.50 3.20 -0.24 3.17 -7.23 -0.63 -4.88 120.40 116.28 1hk6 s VAL 24 Ca 0.55 -0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 59.87 1hk6 s VAL 24 Cb -0.24 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1hk6 s VAL 24 CO 0.20 0.45 1.13 -0.89 -0.31 0.00 0.00 175.10 175.68 1hk6 s THR 25 N 1.32 4.49 0.16 5.32 2.01 -1.26 -3.21 115.64 124.46 1hk6 s THR 25 Ca 0.04 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.52 1hk6 s THR 25 Cb -0.14 -4.24 -0.07 0.00 0.01 0.00 0.00 72.50 68.06 1hk6 s THR 25 CO -0.03 -0.26 0.93 -0.63 -0.69 0.00 0.00 174.62 173.93 1hk6 s ILE 26 N 3.49 4.34 -0.03 1.82 1.01 -0.51 -3.73 121.20 127.59 1hk6 s ILE 26 Ca 0.48 2.02 -0.01 0.00 0.00 0.00 0.00 60.65 63.15 1hk6 s ILE 26 Cb -0.16 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.04 1hk6 s ILE 26 CO 0.12 0.41 0.03 -0.60 0.00 0.00 0.00 174.94 174.90 1hk6 s ARG 27 N -0.54 0.06 0.00 2.79 6.06 -0.93 -2.68 118.95 123.70 1hk6 s ARG 27 Ca 0.43 0.22 0.00 0.00 -2.50 0.00 0.00 55.73 53.88 1hk6 s ARG 27 Cb -0.24 -0.42 0.00 0.00 0.06 0.00 0.00 34.95 34.35 1hk6 s ARG 27 CO 0.30 -0.22 0.00 0.41 -2.50 0.00 0.00 175.30 173.29 1hk6 n GLY 28 N 4.58 2.15 3.12 8.12 0.00 -1.25 -0.70 105.19 121.21 1hk6 n GLY 28 Ca -0.19 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 4.29 0.28 -1.08 1.61 2.02 0.32 -4.78 118.70 121.36 1hk6 s GLU 29 Ca 0.00 0.39 -0.06 0.00 0.02 0.00 0.00 54.97 55.32 1hk6 s GLU 29 Cb 0.00 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.32 1hk6 s GLU 29 CO 0.00 -0.06 0.93 0.09 0.02 0.00 0.00 175.26 176.24 1hk6 n ASN 30 N 3.22 -4.94 -2.27 -0.19 3.02 -1.26 -1.69 115.26 111.16 1hk6 n ASN 30 Ca -0.15 -0.45 -0.23 0.00 -0.03 0.00 0.00 54.58 53.72 1hk6 n ASN 30 Cb 0.57 -4.18 -0.03 0.00 -0.61 0.00 0.00 39.78 35.53 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 -4.04 6.45 -1.37 3.41 4.32 0.61 -3.96 117.00 122.42 1hk6 n LEU 31 Ca -0.03 -3.78 0.00 0.00 -0.02 0.00 0.00 56.01 52.18 1hk6 n LEU 31 Cb 0.56 -1.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 1hk6 n LEU 31 CO 0.52 1.55 -0.27 0.61 -1.22 0.00 0.00 177.39 178.58 1hk6 n GLY 32 N 0.72 -4.63 2.12 -0.72 0.00 -1.25 -4.71 105.19 96.71 1hk6 n GLY 32 Ca 0.42 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 1.04 3.06 0.00 2.61 -2.24 -1.26 -3.91 114.28 113.59 1hk6 n THR 33 Ca 0.00 -2.22 0.00 0.00 -2.27 0.00 0.00 64.05 59.56 1hk6 n THR 33 Cb 0.00 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 0.20 1.85 0.24 3.38 0.00 -1.26 -4.93 105.19 104.67 1hk6 n GLY 34 Ca 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 0.49 -0.56 1.61 0.11 -1.94 -1.44 132.00 130.26 1hk6 h PRO 35 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1hk6 h PRO 35 Cb 0.00 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 1hk6 h PRO 35 CO 0.00 0.32 0.23 0.00 -0.21 0.00 0.00 178.00 178.34 1hk6 h THR 36 N 0.50 1.20 -0.53 -1.15 1.03 -1.99 -2.78 112.91 109.19 1hk6 h THR 36 Ca 0.30 -0.63 0.07 0.00 -0.01 0.00 0.00 66.41 66.13 1hk6 h THR 36 Cb 0.30 0.53 -0.06 0.00 -1.07 0.00 0.00 68.15 67.85 1hk6 h THR 36 CO -0.25 0.25 0.22 0.44 -0.01 0.00 0.00 175.52 176.17 1hk6 h ASP 37 N 0.80 0.25 -3.31 0.00 5.19 -1.64 -3.41 116.42 114.31 1hk6 h ASP 37 Ca 0.19 0.05 -0.53 0.00 -0.62 0.00 0.00 57.03 56.13 1hk6 h ASP 37 Cb 0.16 0.02 0.05 0.00 0.18 0.00 0.00 39.33 39.74 1hk6 h ASP 37 CO -0.02 0.17 0.76 -0.22 -3.12 0.00 0.00 179.24 176.81 1hk6 s LEU 38 N -10.34 4.39 0.00 1.55 0.20 -1.05 -1.97 118.68 111.46 1hk6 s LEU 38 Ca -0.13 2.62 0.00 0.00 0.69 0.00 0.00 54.13 57.31 1hk6 s LEU 38 Cb 0.15 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.29 1hk6 s LEU 38 CO 0.74 -0.69 0.00 2.30 -0.29 0.00 0.00 176.35 178.40 1hk6 n ILE 39 N 2.60 0.00 -4.64 6.68 -5.35 -1.22 -4.97 119.36 112.46 1hk6 n ILE 39 Ca 0.08 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.22 1hk6 n ILE 39 Cb 0.40 -0.12 -0.12 0.00 -1.74 0.00 0.00 39.64 38.06 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 -3.42 1.66 -0.12 3.28 0.00 -1.24 -5.00 107.32 102.48 1hk6 s GLY 40 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 44.72 43.77 1hk6 s GLY 40 CO 0.00 -0.51 0.28 -2.27 0.00 0.00 0.00 173.10 170.60 1hk6 s LEU 41 N -0.44 0.13 -0.14 0.66 1.98 -1.26 -0.83 118.68 118.78 1hk6 s LEU 41 Ca 0.06 0.61 -0.17 0.00 -2.89 0.00 0.00 54.13 51.75 1hk6 s LEU 41 Cb -0.12 0.84 0.04 0.00 0.66 0.00 0.00 46.19 47.62 1hk6 s LEU 41 CO 0.02 -0.19 0.46 0.42 -1.89 0.00 0.00 176.35 175.17 1hk6 s THR 42 N 1.59 0.01 -0.05 3.68 -4.23 -1.08 -3.14 115.64 112.42 1hk6 s THR 42 Ca -0.07 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1hk6 s THR 42 Cb -0.10 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 73.09 1hk6 s THR 42 CO -0.09 -0.04 0.01 -0.63 -0.54 0.00 0.00 174.62 173.33 1hk6 s ILE 43 N -0.06 0.20 -1.44 2.99 1.01 -0.72 -2.62 121.20 120.56 1hk6 s ILE 43 Ca -0.03 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 1hk6 s ILE 43 Cb -0.03 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.12 1hk6 s ILE 43 CO 0.02 0.19 0.99 0.00 0.00 0.00 0.00 174.94 176.14 1hk6 n GLY 45 N -1.81 -0.38 3.00 0.00 0.00 -1.26 -2.42 105.19 102.32 1hk6 n GLY 45 Ca -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.04 1.11 0.17 1.61 5.65 -0.60 -4.87 115.29 115.31 1hk6 s HIS 46 Ca 0.17 -0.32 -0.31 0.00 0.25 0.00 0.00 55.06 54.85 1hk6 s HIS 46 Cb -0.08 -0.81 -0.09 0.00 -1.18 0.00 0.00 32.58 30.42 1hk6 s HIS 46 CO 0.21 -0.16 1.47 1.21 -0.65 0.00 0.00 174.74 176.82 1hk6 s ASN 47 N 0.40 6.70 -0.20 9.88 3.04 -1.26 -1.76 114.94 131.74 1hk6 s ASN 47 Ca -0.07 2.51 0.15 0.00 0.04 0.00 0.00 52.86 55.49 1hk6 s ASN 47 Cb -0.11 -2.60 0.36 0.00 -1.54 0.00 0.00 41.25 37.36 1hk6 s ASN 47 CO 0.01 -0.72 1.27 0.00 -3.04 0.00 0.00 177.10 174.62 1hk6 h LEU 49 N 1.24 0.49 -1.07 0.00 5.85 -1.91 -1.51 115.31 118.39 1hk6 h LEU 49 Ca -0.36 -0.76 0.11 0.00 0.84 0.00 0.00 57.88 57.71 1hk6 h LEU 49 Cb 1.40 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 1hk6 h LEU 49 CO -0.07 1.18 0.62 0.17 -0.34 0.00 0.00 178.44 180.00 1hk6 h LEU 50 N -0.16 0.90 0.21 2.25 -0.00 -1.94 -2.19 115.31 114.38 1hk6 h LEU 50 Ca -0.07 0.03 -0.31 0.00 -0.00 0.00 0.00 57.88 57.53 1hk6 h LEU 50 Cb 1.26 -0.15 0.03 0.00 -0.00 0.00 0.00 40.66 41.79 1hk6 h LEU 50 CO 0.11 0.51 -1.39 0.71 -0.00 0.00 0.00 178.44 178.37 1hk6 h THR 51 N 0.98 1.36 -3.04 0.15 1.35 -1.95 -3.45 112.91 108.31 1hk6 h THR 51 Ca 0.46 -2.83 -0.53 0.00 -0.55 0.00 0.00 66.41 62.97 1hk6 h THR 51 Cb 0.43 3.00 0.07 0.00 -1.73 0.00 0.00 68.15 69.92 1hk6 h THR 51 CO -0.22 0.84 0.92 0.00 -0.25 0.00 0.00 175.52 176.81 1hk6 s ALA 52 N -2.63 3.81 -0.05 6.62 0.00 -0.57 -4.79 121.76 124.15 1hk6 s ALA 52 Ca -0.07 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1hk6 s ALA 52 Cb 0.05 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1hk6 s ALA 52 CO 0.92 -0.92 -0.16 -2.00 0.00 0.00 0.00 175.76 173.60 1hk6 s GLU 53 N 0.29 1.80 0.52 0.00 2.12 -0.97 -4.90 118.70 117.56 1hk6 s GLU 53 Ca 0.68 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 55.22 1hk6 s GLU 53 Cb -0.48 -1.53 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 1hk6 s GLU 53 CO 0.40 0.19 1.25 -0.46 -0.54 0.00 0.00 175.26 176.10 1hk6 s TRP 54 N 0.19 2.52 0.00 5.30 -0.00 -1.26 -3.37 118.94 122.32 1hk6 s TRP 54 Ca -0.07 1.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.50 1hk6 s TRP 54 Cb -0.13 -3.58 0.00 0.00 -0.00 0.00 0.00 33.47 29.77 1hk6 s TRP 54 CO 0.03 -2.24 0.00 -1.33 -0.00 0.00 0.00 176.95 173.41 1hk6 n MET 55 N -0.95 0.00 -3.46 5.86 2.81 -1.20 -4.91 117.12 115.27 1hk6 n MET 55 Ca 0.10 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.86 1hk6 n MET 55 Cb 0.47 -0.27 -0.03 0.00 -0.71 0.00 0.00 33.22 32.68 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 -2.95 -0.55 0.57 7.83 0.01 -0.04 -4.96 113.70 113.61 1hk6 s SER 56 Ca 0.00 0.17 0.31 0.00 1.31 0.00 0.00 55.95 57.73 1hk6 s SER 56 Cb 0.00 0.54 1.45 0.00 0.21 0.00 0.00 66.02 68.21 1hk6 s SER 56 CO 0.00 -0.81 1.83 0.00 0.41 0.00 0.00 173.24 174.67 1hk6 h ALA 57 N 2.23 2.57 -0.67 1.44 0.00 -1.85 -1.14 119.26 121.84 1hk6 h ALA 57 Ca -0.30 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.22 1hk6 h ALA 57 Cb 1.26 0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.69 1hk6 h ALA 57 CO 0.37 -1.02 -1.02 0.43 0.00 0.00 0.00 179.25 178.01 1hk6 n SER 58 N -3.90 2.66 -3.62 0.00 7.64 -1.26 -0.28 113.62 114.86 1hk6 n SER 58 Ca 0.15 -2.69 -0.04 0.00 1.01 0.00 0.00 58.87 57.30 1hk6 n SER 58 Cb 0.90 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.64 0.53 -0.18 1.43 2.20 -0.43 -3.85 119.74 115.79 1hk6 s LYS 59 Ca 0.35 0.99 -0.05 0.00 -0.36 0.00 0.00 55.97 56.89 1hk6 s LYS 59 Cb 0.37 0.22 0.09 0.00 -1.51 0.00 0.00 37.83 36.99 1hk6 s LYS 59 CO -0.02 -0.12 0.35 0.42 -0.36 0.00 0.00 175.35 175.62 1hk6 s ILE 60 N 1.72 -0.55 -0.04 5.43 1.01 -1.09 -0.86 121.20 126.81 1hk6 s ILE 60 Ca -0.09 0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.47 1hk6 s ILE 60 Cb -0.05 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1hk6 s ILE 60 CO -0.18 0.05 0.79 -0.69 0.00 0.00 0.00 174.94 174.91 1hk6 s VAL 61 N 2.53 4.96 -0.29 2.92 1.01 -1.22 -1.42 120.40 128.90 1hk6 s VAL 61 Ca 0.02 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 1hk6 s VAL 61 Cb -0.13 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.27 1hk6 s VAL 61 CO -0.12 0.24 1.02 0.00 0.00 0.00 0.00 175.10 176.24 1hk6 s ARG 63 N 1.13 4.50 0.00 0.00 1.70 -1.26 -1.61 118.95 123.41 1hk6 s ARG 63 Ca -0.07 1.08 0.00 0.00 -0.47 0.00 0.00 55.73 56.27 1hk6 s ARG 63 Cb -0.04 -3.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.05 1hk6 s ARG 63 CO -0.13 0.49 0.00 1.33 -1.08 0.00 0.00 175.30 175.91 1hk6 n VAL 64 N 1.98 0.00 0.00 4.99 0.24 -0.98 -4.92 118.33 119.64 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 1.55 0.01 3.65 7.63 0.00 -1.08 -4.55 105.19 112.40 1hk6 n GLY 65 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.08 0.32 -1.45 1.61 -2.07 -1.26 -4.67 119.66 111.05 1hk6 s GLN 66 Ca 0.00 0.52 -0.10 0.00 -1.82 0.00 0.00 55.36 53.96 1hk6 s GLN 66 Cb 0.00 0.08 0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1hk6 s GLN 66 CO 0.00 -0.06 2.43 0.00 -1.32 0.00 0.00 175.29 176.34 1hk6 n ALA 67 N 3.34 6.43 -0.24 2.60 0.00 -1.26 -4.66 120.51 126.72 1hk6 n ALA 67 Ca -0.17 -3.89 0.04 0.00 0.00 0.00 0.00 53.44 49.42 1hk6 n ALA 67 Cb 0.57 -3.23 0.17 0.00 0.00 0.00 0.00 19.45 16.96 1hk6 n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1hk6 h LYS 68 N 5.34 0.28 0.00 0.00 1.57 -1.81 -3.39 116.57 118.56 1hk6 h LYS 68 Ca 0.66 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1hk6 h LYS 68 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1hk6 h LYS 68 CO 1.73 0.18 0.00 0.09 -0.57 0.00 0.00 179.45 180.88 1hk6 n ASN 69 N -5.13 0.00 0.00 0.86 3.02 -1.20 -5.04 115.26 107.77 1hk6 n ASN 69 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1hk6 n ASN 69 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1hk6 n ASN 69 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1hk6 n ASP 70 N 0.00 0.00 -0.03 6.41 9.92 -1.26 -4.93 116.55 126.65 1hk6 n ASP 70 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1hk6 n ASP 70 Cb 0.00 0.11 -0.11 0.00 -0.64 0.00 0.00 41.12 40.49 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1hk6 h LYS 71 N 0.00 0.19 -0.61 -1.24 3.64 -1.96 -3.49 116.57 113.09 1hk6 h LYS 71 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1hk6 h LYS 71 Cb 0.00 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1hk6 h LYS 71 CO 0.00 0.86 0.00 0.41 -2.27 0.00 0.00 179.45 178.45 1hk6 n GLY 72 N 0.84 0.71 3.74 5.01 0.00 -1.26 -4.40 105.19 109.82 1hk6 n GLY 72 Ca -0.09 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.07 6.94 0.03 1.61 1.11 -1.26 -2.70 116.67 120.33 1hk6 s ASP 73 Ca 0.00 2.38 -0.24 0.00 0.18 0.00 0.00 52.55 54.86 1hk6 s ASP 73 Cb 0.00 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 1hk6 s ASP 73 CO 0.00 -0.49 0.74 -0.63 1.18 0.00 0.00 175.17 175.97 1hk6 s ILE 74 N 0.00 4.79 -0.03 0.77 1.01 -1.26 -3.81 121.20 122.66 1hk6 s ILE 74 Ca 0.55 1.56 0.02 0.00 0.00 0.00 0.00 60.65 62.79 1hk6 s ILE 74 Cb -0.36 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.04 1hk6 s ILE 74 CO 0.39 0.36 -0.08 -0.63 0.00 0.00 0.00 174.94 174.98 1hk6 s ILE 75 N 0.02 0.70 -0.13 2.92 -1.09 -1.08 -3.79 121.20 118.75 1hk6 s ILE 75 Ca 0.38 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1hk6 s ILE 75 Cb -0.20 -0.65 0.06 0.00 -1.58 0.00 0.00 42.46 40.09 1hk6 s ILE 75 CO 0.22 0.23 0.12 -0.69 -1.23 0.00 0.00 174.94 173.59 1hk6 s VAL 76 N 0.41 -0.17 0.26 2.92 1.01 -1.26 -2.62 120.40 120.96 1hk6 s VAL 76 Ca -0.06 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 1hk6 s VAL 76 Cb -0.10 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 1hk6 s VAL 76 CO 0.01 -0.07 0.90 -0.89 0.00 0.00 0.00 175.10 175.05 1hk6 s THR 77 N 2.21 4.21 -0.03 3.92 2.01 -0.01 -2.79 115.64 125.16 1hk6 s THR 77 Ca 0.04 1.87 -0.02 0.00 0.31 0.00 0.00 61.69 63.88 1hk6 s THR 77 Cb -0.14 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1hk6 s THR 77 CO -0.07 0.33 0.07 0.42 -0.69 0.00 0.00 174.62 174.68 1hk6 s THR 78 N -1.38 0.00 0.12 -0.82 -4.23 -1.08 -3.46 115.64 104.78 1hk6 s THR 78 Ca 0.44 -0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.72 1hk6 s THR 78 Cb -0.22 -0.11 -0.07 0.00 1.34 0.00 0.00 72.50 73.44 1hk6 s THR 78 CO 0.27 -0.01 1.70 0.11 -0.54 0.00 0.00 174.62 176.15 1hk6 h LYS 79 N 6.01 -0.08 0.25 3.99 1.79 -1.74 -2.98 116.57 123.82 1hk6 h LYS 79 Ca -0.25 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1hk6 h LYS 79 Cb 1.21 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1hk6 h LYS 79 CO 0.46 -0.05 -0.12 0.77 -1.08 0.00 0.00 179.45 179.43 1hk6 h SER 80 N -0.08 -0.29 0.00 0.86 0.02 -1.97 -3.44 113.55 108.65 1hk6 h SER 80 Ca 0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1hk6 h SER 80 Cb 0.17 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1hk6 h SER 80 CO -0.14 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.17 1hk6 n GLY 81 N -0.54 0.87 0.00 -3.77 0.00 -1.15 -4.59 105.19 96.02 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 2.37 3.72 -0.02 0.00 -1.14 -4.79 105.19 110.34 1hk6 n GLY 82 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 4.65 4.17 0.54 1.61 2.20 -1.26 -2.65 119.74 129.01 1hk6 s LYS 83 Ca 0.00 2.49 -0.19 0.00 -0.36 0.00 0.00 55.97 57.91 1hk6 s LYS 83 Cb 0.00 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 33.15 1hk6 s LYS 83 CO 0.00 -0.68 1.13 0.20 -0.36 0.00 0.00 175.35 175.64 1hk6 s GLY 84 N 1.15 2.63 -0.06 5.54 0.00 -1.12 -4.21 107.32 111.25 1hk6 s GLY 84 Ca 0.72 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 46.14 1hk6 s GLY 84 CO 0.32 1.18 0.31 -0.51 0.00 0.00 0.00 173.10 174.40 1hk6 s THR 85 N -1.77 0.04 -0.25 0.90 -4.23 -0.40 -4.56 115.64 105.36 1hk6 s THR 85 Ca 0.73 -0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 60.76 1hk6 s THR 85 Cb -0.24 -0.54 0.07 0.00 1.34 0.00 0.00 72.50 73.13 1hk6 s THR 85 CO 0.27 -0.16 0.64 -0.55 -0.54 0.00 0.00 174.62 174.28 1hk6 s SER 86 N -0.73 -0.79 0.14 3.99 0.15 -1.25 -1.77 113.70 113.44 1hk6 s SER 86 Ca -0.08 1.37 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1hk6 s SER 86 Cb -0.04 1.30 -0.09 0.00 -1.71 0.00 0.00 66.02 65.47 1hk6 s SER 86 CO 0.03 -0.23 1.31 0.71 1.20 0.00 0.00 173.24 176.26 1hk6 h THR 87 N 4.69 1.50 -3.53 6.45 1.35 -1.95 -3.43 112.91 118.00 1hk6 h THR 87 Ca -0.30 -2.76 -0.53 0.00 -0.55 0.00 0.00 66.41 62.28 1hk6 h THR 87 Cb 1.20 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 70.18 1hk6 h THR 87 CO 0.15 0.80 0.20 0.68 -0.25 0.00 0.00 175.52 177.10 1hk6 s VAL 88 N -3.06 4.40 -0.02 6.82 -7.23 -1.26 -5.07 120.40 114.98 1hk6 s VAL 88 Ca -0.03 1.74 0.08 0.00 -1.81 0.00 0.00 61.98 61.95 1hk6 s VAL 88 Cb 0.09 -4.16 -0.02 0.00 0.56 0.00 0.00 36.38 32.86 1hk6 s VAL 88 CO 0.84 0.49 -0.26 -0.94 -0.31 0.00 0.00 175.10 174.93 1hk6 s SER 89 N -0.96 3.00 -0.01 4.85 1.04 -1.26 -4.32 113.70 116.04 1hk6 s SER 89 Ca 0.37 -0.47 -0.24 0.00 0.48 0.00 0.00 55.95 56.09 1hk6 s SER 89 Cb -0.23 -0.33 -0.05 0.00 0.10 0.00 0.00 66.02 65.51 1hk6 s SER 89 CO 0.26 0.31 0.71 0.12 0.98 0.00 0.00 173.24 175.62 1hk6 s PHE 90 N -0.61 3.66 -0.16 5.02 5.36 -1.10 -5.00 117.98 125.15 1hk6 s PHE 90 Ca 0.10 1.33 -0.26 0.00 -0.96 0.00 0.00 56.93 57.14 1hk6 s PHE 90 Cb -0.10 -2.78 -0.01 0.00 -0.34 0.00 0.00 43.02 39.79 1hk6 s PHE 90 CO -0.01 0.21 0.88 0.21 -1.46 0.00 0.00 175.22 175.05 1hk6 s LYS 91 N 0.27 4.32 -0.27 10.12 2.20 -1.15 -4.70 119.74 130.54 1hk6 s LYS 91 Ca 0.37 1.11 -0.12 0.00 -0.36 0.00 0.00 55.97 56.97 1hk6 s LYS 91 Cb -0.19 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1hk6 s LYS 91 CO 0.20 -0.33 0.22 -1.17 -0.36 0.00 0.00 175.35 173.91 1hk6 s LEU 92 N 2.15 4.05 -0.06 5.43 2.96 -1.26 -2.76 118.68 129.18 1hk6 s LEU 92 Ca 0.41 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 54.29 1hk6 s LEU 92 Cb -0.17 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 1hk6 s LEU 92 CO 0.13 -0.05 0.28 -0.76 -1.32 0.00 0.00 176.35 174.63 1hk6 s LEU 93 N 1.67 4.43 0.29 -0.68 1.43 -1.10 -4.93 118.68 119.78 1hk6 s LEU 93 Ca 0.09 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 53.61 1hk6 s LEU 93 Cb -0.15 -2.35 -0.12 0.00 0.03 0.00 0.00 46.19 43.60 1hk6 s LEU 93 CO 0.10 0.35 1.62 2.29 0.23 0.00 0.00 176.35 180.94 1hk6 n LYS 94 N 1.96 2.74 -1.71 1.70 2.85 -1.26 -3.78 118.16 120.66 1hk6 n LYS 94 Ca -0.17 0.97 -0.43 0.00 -1.05 0.00 0.00 58.31 57.64 1hk6 n LYS 94 Cb 0.53 -2.77 -0.02 0.00 -0.65 0.00 0.00 35.03 32.12 1hk6 n LYS 94 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1hk6 n PRO 95 N 2.36 2.51 -2.58 -1.58 -0.02 -1.26 -4.86 135.00 129.57 1hk6 n PRO 95 Ca 0.09 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 62.04 1hk6 n PRO 95 Cb 0.37 -2.67 -0.02 0.00 -0.02 0.00 0.00 33.50 31.16 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 0.06 4.13 0.00 -0.52 0.41 -1.26 -5.14 118.70 116.38 1hk6 s GLU 96 Ca 0.69 1.28 0.01 0.00 -0.41 0.00 0.00 54.97 56.55 1hk6 s GLU 96 Cb -0.55 -3.73 0.09 0.00 -1.78 0.00 0.00 34.13 28.15 1hk6 s GLU 96 CO 0.44 -0.82 0.58 1.63 -0.49 0.00 0.00 175.26 176.59