#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 -5.27 -1.73 -0.41 0.00 -1.26 -4.90 117.12 103.55 1hk6 n MET 4 Ca 0.00 0.76 -0.42 0.00 -0.00 0.00 0.00 57.70 58.04 1hk6 n MET 4 Cb 0.00 -5.57 -0.02 0.00 0.00 0.00 0.00 33.22 27.63 1hk6 n MET 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1hk6 n ARG 5 N -4.06 2.55 -1.85 2.12 5.12 -1.26 -4.92 116.66 114.36 1hk6 n ARG 5 Ca -0.26 0.90 -0.41 0.00 -1.93 0.00 0.00 57.85 56.15 1hk6 n ARG 5 Cb 0.66 -2.65 -0.02 0.00 -1.16 0.00 0.00 32.46 29.30 1hk6 n ARG 5 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1hk6 s GLN 6 N -0.75 4.17 0.47 5.56 -2.07 -1.26 -4.65 119.66 121.12 1hk6 s GLN 6 Ca 0.63 2.49 -0.23 0.00 -1.82 0.00 0.00 55.36 56.43 1hk6 s GLN 6 Cb -0.53 -3.05 -0.07 0.00 -1.09 0.00 0.00 33.01 28.28 1hk6 s GLN 6 CO 0.51 -0.56 1.23 -1.25 -1.32 0.00 0.00 175.29 173.90 1hk6 s PRO 7 N -0.58 3.67 -0.05 9.60 0.04 -1.26 -4.76 135.00 141.67 1hk6 s PRO 7 Ca 0.61 1.93 -0.33 0.00 0.04 0.00 0.00 61.00 63.25 1hk6 s PRO 7 Cb -0.46 -2.44 -0.11 0.00 0.04 0.00 0.00 34.50 31.52 1hk6 s PRO 7 CO 0.48 -0.67 1.88 -0.35 0.04 0.00 0.00 177.00 178.38 1hk6 n PRO 8 N -0.48 2.30 -3.41 0.56 -0.04 -1.25 -4.91 135.00 127.76 1hk6 n PRO 8 Ca 0.07 0.84 -0.44 0.00 -0.04 0.00 0.00 63.50 63.93 1hk6 n PRO 8 Cb 0.47 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.16 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 3.90 5.91 0.10 1.53 0.20 -0.53 -2.40 118.68 127.38 1hk6 s LEU 9 Ca 0.91 -1.77 -0.26 0.00 0.69 0.00 0.00 54.13 53.71 1hk6 s LEU 9 Cb -0.65 -2.13 -0.07 0.00 -0.43 0.00 0.00 46.19 42.92 1hk6 s LEU 9 CO 0.49 -0.77 0.79 -0.69 -0.29 0.00 0.00 176.35 175.88 1hk6 s VAL 10 N 1.52 4.56 -0.36 1.68 1.01 -0.52 -2.04 120.40 126.24 1hk6 s VAL 10 Ca 0.04 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.77 1hk6 s VAL 10 Cb -0.28 -4.15 0.23 0.00 0.00 0.00 0.00 36.38 32.19 1hk6 s VAL 10 CO 0.02 0.42 1.21 1.07 0.00 0.00 0.00 175.10 177.82 1hk6 n THR 11 N 2.31 0.00 -3.62 3.92 5.66 -0.85 -2.99 114.28 118.71 1hk6 n THR 11 Ca -0.03 -1.04 -0.11 0.00 -3.05 0.00 0.00 64.05 59.82 1hk6 n THR 11 Cb 0.49 0.85 -0.07 0.00 -1.55 0.00 0.00 70.33 70.06 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 -0.66 -0.27 -0.28 1.09 0.00 -0.84 -4.88 107.32 101.49 1hk6 s GLY 12 Ca 0.13 2.41 -0.17 0.00 0.00 0.00 0.00 44.72 47.10 1hk6 s GLY 12 CO -0.06 1.69 0.84 -1.50 0.00 0.00 0.00 173.10 174.07 1hk6 s ILE 13 N 0.06 0.00 0.05 0.90 2.07 -1.26 -2.33 121.20 120.69 1hk6 s ILE 13 Ca 0.01 0.00 -0.33 0.00 -1.41 0.00 0.00 60.65 58.93 1hk6 s ILE 13 Cb -0.04 -1.00 -0.18 0.00 0.13 0.00 0.00 42.46 41.37 1hk6 s ILE 13 CO -0.03 0.00 1.49 -1.28 -1.91 0.00 0.00 174.94 173.21 1hk6 h SER 14 N 6.38 -0.99 -0.39 4.50 0.87 -1.96 -3.45 113.55 118.51 1hk6 h SER 14 Ca -0.29 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1hk6 h SER 14 Cb 1.21 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1hk6 h SER 14 CO 0.17 -0.71 0.00 -0.81 -0.53 0.00 0.00 176.83 174.95 1hk6 n PRO 15 N -5.15 1.40 -0.33 2.24 -0.04 -1.26 -5.06 135.00 126.80 1hk6 n PRO 15 Ca -0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.31 1hk6 n PRO 15 Cb 0.46 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.91 1hk6 n PRO 15 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1hk6 n ASN 16 N 0.00 -0.10 -3.52 3.54 5.15 -1.26 -5.08 115.26 113.99 1hk6 n ASN 16 Ca 0.00 -0.34 0.03 0.00 -0.60 0.00 0.00 54.58 53.67 1hk6 n ASN 16 Cb 0.00 0.03 -0.05 0.00 -0.53 0.00 0.00 39.78 39.23 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1hk6 s GLU 17 N 0.00 0.02 0.00 1.20 1.03 -1.26 -3.93 118.70 115.76 1hk6 s GLU 17 Ca 0.00 0.04 0.00 0.00 0.03 0.00 0.00 54.97 55.04 1hk6 s GLU 17 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 34.13 33.34 1hk6 s GLU 17 CO 0.00 -0.01 0.00 0.41 -1.33 0.00 0.00 175.26 174.33 1hk6 n GLY 18 N 3.44 2.80 3.40 -3.83 0.00 -1.08 -4.93 105.19 104.99 1hk6 n GLY 18 Ca -0.14 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.73 0.00 -0.34 -0.61 -5.35 -1.24 -2.68 119.36 108.42 1hk6 n ILE 19 Ca 0.00 -0.21 0.13 0.00 -0.27 0.00 0.00 62.75 62.40 1hk6 n ILE 19 Cb 0.00 -0.62 0.32 0.00 -1.74 0.00 0.00 39.64 37.59 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 -1.64 0.65 0.00 6.28 0.11 -1.80 0.18 132.00 135.77 1hk6 h PRO 20 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hk6 h PRO 20 Cb 1.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hk6 h PRO 20 CO 0.35 0.43 0.00 0.91 -0.21 0.00 0.00 178.00 179.48 1hk6 n TRP 21 N -4.84 0.00 -1.96 0.65 7.02 -1.26 -2.89 117.44 114.16 1hk6 n TRP 21 Ca 0.23 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.29 1hk6 n TRP 21 Cb 0.59 -0.29 -0.03 0.00 -2.42 0.00 0.00 31.31 29.16 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 -2.58 2.75 0.25 -0.99 2.01 0.63 -4.89 115.64 112.82 1hk6 s THR 22 Ca 0.20 0.51 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 1hk6 s THR 22 Cb 0.14 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 1hk6 s THR 22 CO 0.32 0.04 1.25 -0.75 -0.69 0.00 0.00 174.62 174.79 1hk6 s LYS 23 N 1.30 4.44 -0.08 4.92 2.47 -1.26 -3.85 119.74 127.67 1hk6 s LYS 23 Ca 0.70 2.03 -0.04 0.00 -1.56 0.00 0.00 55.97 57.10 1hk6 s LYS 23 Cb -0.42 -3.16 0.04 0.00 -1.46 0.00 0.00 37.83 32.83 1hk6 s LYS 23 CO 0.31 -0.12 0.19 0.14 0.16 0.00 0.00 175.35 176.03 1hk6 s VAL 24 N -0.54 -0.04 -0.30 4.02 -7.23 -1.25 -4.90 120.40 110.16 1hk6 s VAL 24 Ca 0.51 0.16 -0.22 0.00 -1.81 0.00 0.00 61.98 60.62 1hk6 s VAL 24 Cb -0.36 -0.30 -0.00 0.00 0.56 0.00 0.00 36.38 36.28 1hk6 s VAL 24 CO 0.43 0.06 0.74 -0.89 -0.31 0.00 0.00 175.10 175.13 1hk6 s THR 25 N 1.15 4.84 0.18 5.32 2.01 -1.26 -3.93 115.64 123.96 1hk6 s THR 25 Ca -0.09 1.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 1hk6 s THR 25 Cb -0.10 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.23 1hk6 s THR 25 CO -0.07 -0.20 0.93 -0.63 -0.69 0.00 0.00 174.62 173.96 1hk6 s ILE 26 N 2.84 4.26 -0.01 1.82 1.01 -1.07 -3.81 121.20 126.24 1hk6 s ILE 26 Ca 0.30 2.05 0.00 0.00 0.00 0.00 0.00 60.65 63.00 1hk6 s ILE 26 Cb -0.14 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 38.02 1hk6 s ILE 26 CO 0.12 0.43 0.00 -0.13 0.00 0.00 0.00 174.94 175.36 1hk6 s ARG 27 N -0.72 0.02 0.00 2.79 1.81 -0.98 -3.01 118.95 118.86 1hk6 s ARG 27 Ca 0.43 0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.47 1hk6 s ARG 27 Cb -0.25 -0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.16 1hk6 s ARG 27 CO 0.31 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.30 1hk6 n GLY 28 N 3.34 1.18 3.29 -3.53 0.00 -1.24 -1.98 105.19 106.26 1hk6 n GLY 28 Ca -0.16 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 4.55 0.45 -1.23 1.61 0.41 -0.87 -4.77 118.70 118.86 1hk6 s GLU 29 Ca 0.00 0.60 -0.07 0.00 -0.41 0.00 0.00 54.97 55.09 1hk6 s GLU 29 Cb 0.00 0.18 0.01 0.00 -1.78 0.00 0.00 34.13 32.54 1hk6 s GLU 29 CO 0.00 -0.08 0.91 0.09 -0.49 0.00 0.00 175.26 175.69 1hk6 n ASN 30 N 3.13 -5.78 -2.25 -0.19 3.02 -1.19 -1.46 115.26 110.55 1hk6 n ASN 30 Ca -0.15 -0.42 -0.18 0.00 -0.03 0.00 0.00 54.58 53.81 1hk6 n ASN 30 Cb 0.57 -4.44 -0.14 0.00 -0.61 0.00 0.00 39.78 35.16 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 -4.22 5.88 -0.32 3.41 4.32 -1.23 -3.91 117.00 120.92 1hk6 n LEU 31 Ca -0.02 -3.47 0.00 0.00 -0.02 0.00 0.00 56.01 52.50 1hk6 n LEU 31 Cb 0.57 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1hk6 n LEU 31 CO 0.53 1.76 -0.09 0.61 -1.22 0.00 0.00 177.39 178.98 1hk6 n GLY 32 N 2.39 -3.48 0.33 -0.72 0.00 -1.26 -4.63 105.19 97.81 1hk6 n GLY 32 Ca 0.48 -0.97 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 0.45 1.13 -0.54 2.61 1.35 -1.93 -3.41 112.91 112.57 1hk6 h THR 33 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1hk6 h THR 33 Cb 0.00 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1hk6 h THR 33 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1hk6 n GLY 34 N -1.46 2.09 0.16 5.82 0.00 -1.26 -4.73 105.19 105.81 1hk6 n GLY 34 Ca 0.06 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 0.47 -0.85 1.61 0.11 -1.91 -1.69 132.00 129.73 1hk6 h PRO 35 Ca 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1hk6 h PRO 35 Cb 0.00 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 30.97 1hk6 h PRO 35 CO 0.00 0.37 0.53 1.79 -0.21 0.00 0.00 178.00 180.48 1hk6 h THR 36 N 0.43 1.23 -0.12 -1.15 1.35 -2.00 -2.93 112.91 109.73 1hk6 h THR 36 Ca 0.12 -0.49 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 1hk6 h THR 36 Cb 0.03 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1hk6 h THR 36 CO -0.02 0.24 -0.00 -0.78 -0.25 0.00 0.00 175.52 174.70 1hk6 h ASP 37 N 1.16 0.20 -2.91 5.36 1.82 -1.92 -3.43 116.42 116.71 1hk6 h ASP 37 Ca 0.31 -0.32 -0.52 0.00 -0.39 0.00 0.00 57.03 56.11 1hk6 h ASP 37 Cb -0.07 -0.05 0.04 0.00 0.68 0.00 0.00 39.33 39.93 1hk6 h ASP 37 CO -0.06 0.47 0.86 -0.22 -1.61 0.00 0.00 179.24 178.68 1hk6 s LEU 38 N -9.52 4.37 0.00 2.28 0.20 -0.65 -2.77 118.68 112.59 1hk6 s LEU 38 Ca -0.14 2.61 0.00 0.00 0.69 0.00 0.00 54.13 57.29 1hk6 s LEU 38 Cb 0.05 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 1hk6 s LEU 38 CO 0.71 -0.80 0.00 2.30 -0.29 0.00 0.00 176.35 178.26 1hk6 n ILE 39 N 3.72 0.00 -1.79 6.68 -5.35 -1.16 -4.89 119.36 116.58 1hk6 n ILE 39 Ca 0.13 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.27 1hk6 n ILE 39 Cb 0.39 -0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 38.17 1hk6 n ILE 39 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hk6 n GLY 40 N 0.10 4.96 3.70 3.28 0.00 -0.92 -4.88 105.19 111.43 1hk6 n GLY 40 Ca 0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1hk6 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hk6 s LEU 41 N -2.88 4.34 -0.12 0.99 1.98 -1.26 -2.09 118.68 119.64 1hk6 s LEU 41 Ca 0.54 2.19 -0.22 0.00 -2.89 0.00 0.00 54.13 53.76 1hk6 s LEU 41 Cb 0.35 -3.57 0.05 0.00 0.66 0.00 0.00 46.19 43.68 1hk6 s LEU 41 CO -0.25 -0.68 0.54 0.42 -1.89 0.00 0.00 176.35 174.50 1hk6 s THR 42 N 1.84 0.01 -0.05 3.68 -4.23 -0.27 -2.52 115.64 114.11 1hk6 s THR 42 Ca 0.64 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1hk6 s THR 42 Cb -0.33 -0.81 0.03 0.00 1.34 0.00 0.00 72.50 72.73 1hk6 s THR 42 CO 0.28 -0.05 0.02 -0.63 -0.54 0.00 0.00 174.62 173.69 1hk6 s ILE 43 N -0.47 0.16 -1.48 2.99 1.01 -0.27 -2.02 121.20 121.12 1hk6 s ILE 43 Ca -0.06 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 1hk6 s ILE 43 Cb -0.03 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.14 1hk6 s ILE 43 CO 0.04 0.19 0.71 0.00 0.00 0.00 0.00 174.94 175.89 1hk6 n GLY 45 N -1.56 1.89 3.72 0.00 0.00 -1.26 -3.03 105.19 104.95 1hk6 n GLY 45 Ca -0.07 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.39 3.41 0.33 1.61 5.65 -0.78 -5.00 115.29 120.12 1hk6 s HIS 46 Ca 0.00 1.30 -0.28 0.00 0.25 0.00 0.00 55.06 56.33 1hk6 s HIS 46 Cb 0.00 -3.46 -0.09 0.00 -1.18 0.00 0.00 32.58 27.84 1hk6 s HIS 46 CO 0.00 -1.41 1.14 0.54 -0.65 0.00 0.00 174.74 174.35 1hk6 s ASN 47 N 0.71 6.96 -0.31 9.88 4.22 -1.26 -1.12 114.94 134.01 1hk6 s ASN 47 Ca 0.57 2.31 0.17 0.00 -2.14 0.00 0.00 52.86 53.78 1hk6 s ASN 47 Cb -0.32 -2.62 0.45 0.00 1.28 0.00 0.00 41.25 40.05 1hk6 s ASN 47 CO 0.32 -0.37 1.27 0.00 -2.04 0.00 0.00 177.10 176.28 1hk6 h LEU 49 N 2.04 0.57 -1.23 0.00 5.85 -1.90 -1.26 115.31 119.38 1hk6 h LEU 49 Ca -0.26 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 57.97 1hk6 h LEU 49 Cb 1.27 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1hk6 h LEU 49 CO 0.07 0.89 0.00 0.17 -0.34 0.00 0.00 178.44 179.23 1hk6 h LEU 50 N 0.24 0.49 0.21 2.25 8.10 -1.93 -3.00 115.31 121.67 1hk6 h LEU 50 Ca 0.04 -0.09 -0.31 0.00 0.11 0.00 0.00 57.88 57.63 1hk6 h LEU 50 Cb 0.71 -0.13 0.03 0.00 -0.44 0.00 0.00 40.66 40.83 1hk6 h LEU 50 CO 0.05 0.56 -1.39 0.71 -4.11 0.00 0.00 178.44 174.26 1hk6 h THR 51 N 0.51 1.36 -3.68 0.15 1.35 -1.94 -3.45 112.91 107.20 1hk6 h THR 51 Ca 0.11 -2.82 -0.52 0.00 -0.55 0.00 0.00 66.41 62.62 1hk6 h THR 51 Cb 0.33 3.00 0.06 0.00 -1.73 0.00 0.00 68.15 69.81 1hk6 h THR 51 CO 0.01 0.84 0.69 0.00 -0.25 0.00 0.00 175.52 176.81 1hk6 s ALA 52 N -2.63 3.55 -0.08 6.62 0.00 -0.48 -4.76 121.76 123.97 1hk6 s ALA 52 Ca -0.07 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1hk6 s ALA 52 Cb 0.05 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1hk6 s ALA 52 CO 0.93 -0.69 -0.15 -2.00 0.00 0.00 0.00 175.76 173.84 1hk6 s GLU 53 N -1.20 2.06 0.58 0.00 2.56 -0.53 -4.91 118.70 117.27 1hk6 s GLU 53 Ca 0.53 -0.53 -0.19 0.00 0.00 0.00 0.00 54.97 54.78 1hk6 s GLU 53 Cb -0.41 -1.69 -0.04 0.00 2.00 0.00 0.00 34.13 33.99 1hk6 s GLU 53 CO 0.49 0.02 1.21 -0.46 -0.56 0.00 0.00 175.26 175.96 1hk6 s TRP 54 N 0.73 2.41 0.00 5.30 -0.00 -1.26 -2.78 118.94 123.34 1hk6 s TRP 54 Ca -0.13 1.51 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 1hk6 s TRP 54 Cb -0.16 -3.48 0.00 0.00 -0.00 0.00 0.00 33.47 29.83 1hk6 s TRP 54 CO 0.03 -2.20 0.00 -1.33 -0.00 0.00 0.00 176.95 173.45 1hk6 n MET 55 N -1.52 0.00 -3.91 5.86 2.81 -1.20 -4.90 117.12 114.27 1hk6 n MET 55 Ca 0.13 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.92 1hk6 n MET 55 Cb 0.49 -0.27 -0.00 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 0.29 0.00 7.83 0.01 -0.92 -4.96 113.70 112.51 1hk6 s SER 56 Ca 0.00 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.03 1hk6 s SER 56 Cb 0.00 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.01 1hk6 s SER 56 CO 0.00 -1.53 1.48 0.00 0.41 0.00 0.00 173.24 173.60 1hk6 n ALA 57 N -0.53 3.29 0.00 1.44 0.00 -1.26 -3.53 120.51 119.92 1hk6 n ALA 57 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1hk6 n ALA 57 Cb 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.29 0.00 -4.73 0.00 3.41 -1.26 -3.19 113.62 109.14 1hk6 n SER 58 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1hk6 n SER 58 Cb 0.43 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.93 4.51 -0.19 4.33 2.20 -1.23 -3.59 119.74 124.84 1hk6 s LYS 59 Ca 0.00 1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 56.68 1hk6 s LYS 59 Cb 0.00 -3.40 0.09 0.00 -1.51 0.00 0.00 37.83 33.01 1hk6 s LYS 59 CO 0.00 0.16 0.31 0.42 -0.36 0.00 0.00 175.35 175.88 1hk6 s ILE 60 N 0.37 -0.49 -0.19 5.43 1.01 -1.16 -2.16 121.20 124.01 1hk6 s ILE 60 Ca 0.41 0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.90 1hk6 s ILE 60 Cb -0.20 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 1hk6 s ILE 60 CO 0.23 -0.02 0.83 -0.69 0.00 0.00 0.00 174.94 175.29 1hk6 s VAL 61 N 2.47 4.87 -0.23 2.92 1.01 -1.12 -2.59 120.40 127.73 1hk6 s VAL 61 Ca 0.05 1.61 -0.28 0.00 0.00 0.00 0.00 61.98 63.36 1hk6 s VAL 61 Cb -0.14 -4.13 0.14 0.00 0.00 0.00 0.00 36.38 32.25 1hk6 s VAL 61 CO -0.12 0.00 1.11 0.00 0.00 0.00 0.00 175.10 176.09 1hk6 s ARG 63 N -0.60 4.48 0.28 0.00 0.52 -1.26 -3.79 118.95 118.58 1hk6 s ARG 63 Ca 0.02 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 1hk6 s ARG 63 Cb -0.02 -3.37 -0.13 0.00 0.52 0.00 0.00 34.95 31.95 1hk6 s ARG 63 CO -0.04 0.26 1.39 1.33 0.02 0.00 0.00 175.30 178.27 1hk6 n VAL 64 N 2.91 1.33 0.00 3.52 0.24 -1.14 -4.98 118.33 120.21 1hk6 n VAL 64 Ca -0.03 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1hk6 n VAL 64 Cb 0.50 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 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 -1.90 3.01 7.63 0.00 -1.26 -4.37 105.19 109.95 1hk6 n GLY 65 Ca 0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.22 0.23 1.61 -2.07 -1.26 -4.56 119.66 113.83 1hk6 s GLN 66 Ca 0.00 -0.07 -0.31 0.00 -1.82 0.00 0.00 55.36 53.15 1hk6 s GLN 66 Cb 0.00 0.10 -0.14 0.00 -1.09 0.00 0.00 33.01 31.88 1hk6 s GLN 66 CO 0.00 -0.04 1.37 0.00 -1.32 0.00 0.00 175.29 175.30 1hk6 n ALA 67 N 2.50 0.85 0.00 2.60 0.00 -1.26 -4.20 120.51 121.00 1hk6 n ALA 67 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1hk6 n ALA 67 Cb 0.58 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1hk6 n ALA 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hk6 n LYS 68 N 1.95 0.00 -3.60 0.00 4.76 -1.17 -5.00 118.16 115.09 1hk6 n LYS 68 Ca 0.12 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.50 1hk6 n LYS 68 Cb 0.31 -0.33 -0.04 0.00 -1.84 0.00 0.00 35.03 33.13 1hk6 n LYS 68 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1hk6 s ASN 69 N -2.77 -0.17 0.00 4.39 6.03 -1.26 -4.97 114.94 116.19 1hk6 s ASN 69 Ca 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 52.86 51.96 1hk6 s ASN 69 Cb 0.00 0.15 0.00 0.00 -3.03 0.00 0.00 41.25 38.37 1hk6 s ASN 69 CO 0.00 -0.20 0.00 0.47 -2.03 0.00 0.00 177.10 175.34 1hk6 n ASP 70 N 0.36 0.00 -1.67 3.54 9.92 -1.26 -4.38 116.55 123.06 1hk6 n ASP 70 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1hk6 n ASP 70 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1hk6 n ASP 70 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1hk6 n LYS 71 N 0.00 -4.46 0.00 -1.24 4.81 -1.26 -4.51 118.16 111.49 1hk6 n LYS 71 Ca 0.00 3.24 0.00 0.00 -0.87 0.00 0.00 58.31 60.68 1hk6 n LYS 71 Cb 0.00 -3.46 0.00 0.00 0.02 0.00 0.00 35.03 31.59 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hk6 n GLY 72 N 1.04 1.54 3.60 3.14 0.00 -1.24 -4.76 105.19 108.51 1hk6 n GLY 72 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 1hk6 n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hk6 n ASP 73 N 1.02 1.27 -4.21 1.61 5.75 -1.26 -3.35 116.55 117.38 1hk6 n ASP 73 Ca 0.00 1.13 -0.34 0.00 -0.01 0.00 0.00 54.79 55.57 1hk6 n ASP 73 Cb 0.00 -1.08 -0.15 0.00 -1.03 0.00 0.00 41.12 38.86 1hk6 n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1hk6 s ILE 74 N 1.08 2.81 -0.04 2.12 1.01 -1.26 -0.98 121.20 125.94 1hk6 s ILE 74 Ca 0.90 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.78 1hk6 s ILE 74 Cb -1.11 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1hk6 s ILE 74 CO 0.56 0.36 -0.24 -0.63 0.00 0.00 0.00 174.94 174.98 1hk6 s ILE 75 N 1.36 1.95 -0.25 2.92 1.09 -0.86 -3.31 121.20 124.11 1hk6 s ILE 75 Ca 0.03 -1.03 -0.04 0.00 -1.10 0.00 0.00 60.65 58.51 1hk6 s ILE 75 Cb -0.15 -1.64 0.10 0.00 -1.06 0.00 0.00 42.46 39.71 1hk6 s ILE 75 CO -0.06 0.55 0.16 0.54 -0.10 0.00 0.00 174.94 176.02 1hk6 s VAL 76 N -0.34 -0.16 0.07 2.92 0.11 -1.25 -1.11 120.40 120.64 1hk6 s VAL 76 Ca 0.03 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 1hk6 s VAL 76 Cb -0.12 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1hk6 s VAL 76 CO 0.01 -0.52 1.07 -0.89 -3.33 0.00 0.00 175.10 171.44 1hk6 s THR 77 N 2.18 4.35 0.01 5.04 2.01 -0.89 -2.15 115.64 126.20 1hk6 s THR 77 Ca 0.07 1.79 0.07 0.00 0.31 0.00 0.00 61.69 63.93 1hk6 s THR 77 Cb -0.16 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 1hk6 s THR 77 CO -0.27 0.20 -0.22 0.42 -0.69 0.00 0.00 174.62 174.06 1hk6 s THR 78 N 0.60 1.77 0.20 -0.82 -4.23 -1.26 -2.17 115.64 109.74 1hk6 s THR 78 Ca 0.53 -1.10 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1hk6 s THR 78 Cb -0.26 -1.50 0.16 0.00 1.34 0.00 0.00 72.50 72.25 1hk6 s THR 78 CO 0.30 0.37 1.68 0.11 -0.54 0.00 0.00 174.62 176.54 1hk6 h LYS 79 N 5.22 0.14 -0.06 3.99 1.79 -1.86 -2.28 116.57 123.52 1hk6 h LYS 79 Ca -0.42 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.02 1hk6 h LYS 79 Cb 1.14 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1hk6 h LYS 79 CO 0.46 0.09 -0.05 0.77 -1.08 0.00 0.00 179.45 179.64 1hk6 h SER 80 N 0.14 0.15 0.00 0.86 0.02 -1.96 -3.44 113.55 109.33 1hk6 h SER 80 Ca 0.29 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1hk6 h SER 80 Cb 0.46 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1hk6 h SER 80 CO -0.46 0.59 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 1hk6 n GLY 81 N 0.17 -1.13 0.16 -3.77 0.00 -0.86 -4.41 105.19 95.35 1hk6 n GLY 81 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.46 0.18 3.58 -0.02 0.00 -1.21 -4.86 105.19 105.33 1hk6 n GLY 82 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.10 0.35 0.40 1.61 2.47 -1.26 -4.65 119.74 117.56 1hk6 s LYS 83 Ca 0.00 0.66 -0.24 0.00 -1.56 0.00 0.00 55.97 54.83 1hk6 s LYS 83 Cb 0.00 0.17 -0.09 0.00 -1.46 0.00 0.00 37.83 36.45 1hk6 s LYS 83 CO 0.00 -0.08 1.08 0.20 0.16 0.00 0.00 175.35 176.70 1hk6 s GLY 84 N 1.62 2.77 -0.05 5.54 0.00 -0.91 -4.41 107.32 111.88 1hk6 s GLY 84 Ca -0.07 0.77 -0.04 0.00 0.00 0.00 0.00 44.72 45.37 1hk6 s GLY 84 CO -0.15 1.22 0.13 -0.51 0.00 0.00 0.00 173.10 173.79 1hk6 s THR 85 N -1.59 -0.01 -0.05 0.90 -4.23 -1.01 -4.18 115.64 105.48 1hk6 s THR 85 Ca 0.58 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1hk6 s THR 85 Cb -0.24 -0.19 0.02 0.00 1.34 0.00 0.00 72.50 73.42 1hk6 s THR 85 CO 0.30 0.01 -0.06 -0.55 -0.54 0.00 0.00 174.62 173.78 1hk6 s SER 86 N 0.22 1.12 0.20 3.99 0.15 -1.21 -1.44 113.70 116.73 1hk6 s SER 86 Ca -0.01 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1hk6 s SER 86 Cb -0.02 -0.53 0.13 0.00 -1.71 0.00 0.00 66.02 63.89 1hk6 s SER 86 CO -0.01 -0.03 1.48 0.71 1.20 0.00 0.00 173.24 176.59 1hk6 h THR 87 N 6.10 1.45 -3.53 6.45 1.35 -1.91 -3.43 112.91 119.38 1hk6 h THR 87 Ca -0.36 -2.31 -0.45 0.00 -0.55 0.00 0.00 66.41 62.73 1hk6 h THR 87 Cb 1.16 2.24 0.13 0.00 -1.73 0.00 0.00 68.15 69.95 1hk6 h THR 87 CO 0.47 0.68 0.31 0.68 -0.25 0.00 0.00 175.52 177.41 1hk6 s VAL 88 N -3.47 2.07 -0.24 6.82 -7.23 -1.26 -5.08 120.40 112.01 1hk6 s VAL 88 Ca -0.03 -0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 59.78 1hk6 s VAL 88 Cb 0.11 -2.88 0.07 0.00 0.56 0.00 0.00 36.38 34.24 1hk6 s VAL 88 CO 0.81 0.00 0.61 -0.94 -0.31 0.00 0.00 175.10 175.27 1hk6 s SER 89 N -4.78 -0.77 -0.11 4.85 1.04 -1.26 -4.43 113.70 108.25 1hk6 s SER 89 Ca 0.69 1.31 -0.24 0.00 0.48 0.00 0.00 55.95 58.19 1hk6 s SER 89 Cb -0.06 1.23 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 1hk6 s SER 89 CO 0.49 -0.22 0.76 0.12 0.98 0.00 0.00 173.24 175.37 1hk6 s PHE 90 N 1.17 3.51 -0.20 5.02 5.36 -1.21 -4.87 117.98 126.76 1hk6 s PHE 90 Ca -0.07 1.26 -0.25 0.00 -0.96 0.00 0.00 56.93 56.91 1hk6 s PHE 90 Cb -0.05 -2.90 -0.01 0.00 -0.34 0.00 0.00 43.02 39.72 1hk6 s PHE 90 CO -0.12 -0.05 0.81 0.21 -1.46 0.00 0.00 175.22 174.61 1hk6 s LYS 91 N 1.35 4.25 -0.03 10.12 2.20 -1.25 -3.64 119.74 132.74 1hk6 s LYS 91 Ca 0.38 0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 56.67 1hk6 s LYS 91 Cb -0.17 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1hk6 s LYS 91 CO 0.16 -0.39 0.89 -0.51 -0.36 0.00 0.00 175.35 175.14 1hk6 s LEU 92 N 2.38 4.35 -0.13 5.43 2.01 -1.26 -2.63 118.68 128.82 1hk6 s LEU 92 Ca 0.36 1.49 -0.07 0.00 0.01 0.00 0.00 54.13 55.93 1hk6 s LEU 92 Cb -0.16 -3.41 -0.04 0.00 0.01 0.00 0.00 46.19 42.59 1hk6 s LEU 92 CO 0.10 -0.22 0.13 -0.76 1.01 0.00 0.00 176.35 176.61 1hk6 s LEU 93 N 1.00 4.30 0.32 1.79 1.43 -1.09 -4.84 118.68 121.58 1hk6 s LEU 93 Ca 0.47 0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 1hk6 s LEU 93 Cb -0.20 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 1hk6 s LEU 93 CO 0.24 0.38 1.32 -0.54 0.23 0.00 0.00 176.35 177.99 1hk6 s LYS 94 N -0.87 4.34 0.20 1.70 1.02 -1.26 -3.62 119.74 121.24 1hk6 s LYS 94 Ca 0.14 2.23 -0.30 0.00 0.02 0.00 0.00 55.97 58.06 1hk6 s LYS 94 Cb -0.12 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 34.03 1hk6 s LYS 94 CO 0.03 -0.22 1.36 -1.25 -0.92 0.00 0.00 175.35 174.35 1hk6 s PRO 95 N -1.66 4.34 -1.09 -1.68 0.04 -1.26 -4.89 135.00 128.80 1hk6 s PRO 95 Ca 0.50 2.12 -0.21 0.00 0.04 0.00 0.00 61.00 63.45 1hk6 s PRO 95 Cb -0.40 -3.18 -0.08 0.00 0.04 0.00 0.00 34.50 30.88 1hk6 s PRO 95 CO 0.52 -0.33 1.92 -1.91 0.04 0.00 0.00 177.00 177.24 1hk6 n GLU 96 N 2.82 1.86 0.00 4.56 0.00 -1.26 -5.20 120.64 123.42 1hk6 n GLU 96 Ca 0.07 -2.40 0.10 0.00 0.00 0.00 0.00 57.16 54.93 1hk6 n GLU 96 Cb 0.42 -3.43 0.62 0.00 0.00 0.00 0.00 31.44 29.04 1hk6 n GLU 96 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49