#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk6 h MET 4 N 0.00 -0.23 -6.49 -0.41 1.85 -2.06 -3.42 114.93 104.18 1hk6 h MET 4 Ca 0.00 0.02 -0.53 0.00 -0.61 0.00 0.00 59.70 58.57 1hk6 h MET 4 Cb 0.00 0.05 0.01 0.00 0.43 0.00 0.00 31.60 32.09 1hk6 h MET 4 CO 0.00 -0.15 0.69 1.03 -0.40 0.00 0.00 176.91 178.08 1hk6 s ARG 5 N -6.15 4.35 0.16 0.39 3.00 -1.26 -5.00 118.95 114.44 1hk6 s ARG 5 Ca -0.14 1.96 -0.30 0.00 0.00 0.00 0.00 55.73 57.24 1hk6 s ARG 5 Cb 0.06 -3.34 -0.07 0.00 0.00 0.00 0.00 34.95 31.60 1hk6 s ARG 5 CO 0.65 -0.40 1.00 -0.65 0.00 0.00 0.00 175.30 175.90 1hk6 s GLN 6 N 1.32 4.70 0.36 3.54 -0.21 -1.26 -4.91 119.66 123.20 1hk6 s GLN 6 Ca 0.62 1.55 -0.28 0.00 0.02 0.00 0.00 55.36 57.27 1hk6 s GLN 6 Cb -0.33 -3.32 -0.11 0.00 1.00 0.00 0.00 33.01 30.24 1hk6 s GLN 6 CO 0.29 0.24 1.51 -1.25 -2.12 0.00 0.00 175.29 173.96 1hk6 s PRO 7 N -0.39 4.10 0.51 2.91 0.04 -1.26 -4.85 135.00 136.07 1hk6 s PRO 7 Ca 0.46 2.59 -0.21 0.00 0.04 0.00 0.00 61.00 63.89 1hk6 s PRO 7 Cb -0.26 -2.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 1hk6 s PRO 7 CO 0.32 -0.57 0.89 -2.30 0.04 0.00 0.00 177.00 175.39 1hk6 n PRO 8 N 0.74 1.01 -3.44 0.56 -0.02 -1.24 -4.81 135.00 127.79 1hk6 n PRO 8 Ca 0.02 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1hk6 n PRO 8 Cb 0.39 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.79 -0.52 0.05 2.45 2.96 0.04 -0.43 118.68 122.44 1hk6 s LEU 9 Ca 0.69 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.59 1hk6 s LEU 9 Cb -0.48 0.99 -0.04 0.00 0.50 0.00 0.00 46.19 47.15 1hk6 s LEU 9 CO 0.53 -0.29 1.01 -0.69 -1.32 0.00 0.00 176.35 175.59 1hk6 s VAL 10 N 2.51 4.62 -0.32 1.68 1.01 -0.53 0.01 120.40 129.38 1hk6 s VAL 10 Ca 0.09 1.96 0.17 0.00 0.00 0.00 0.00 61.98 64.20 1hk6 s VAL 10 Cb -0.15 -4.26 0.46 0.00 0.00 0.00 0.00 36.38 32.43 1hk6 s VAL 10 CO -0.14 0.20 1.21 0.35 0.00 0.00 0.00 175.10 176.72 1hk6 n THR 11 N 3.54 0.70 0.00 3.92 -2.24 -0.49 -4.05 114.28 115.66 1hk6 n THR 11 Ca 0.05 -2.29 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 1hk6 n THR 11 Cb 0.50 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.68 1.27 3.64 3.38 0.00 -0.27 -4.77 105.19 107.76 1hk6 n GLY 12 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.64 -0.03 -0.01 -0.61 2.07 -1.26 -2.27 121.20 117.44 1hk6 s ILE 13 Ca 0.00 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.03 1hk6 s ILE 13 Cb 0.00 -1.00 -0.12 0.00 0.13 0.00 0.00 42.46 41.47 1hk6 s ILE 13 CO 0.00 0.00 0.88 0.28 -1.91 0.00 0.00 174.94 174.19 1hk6 h SER 14 N 6.89 -0.64 -3.54 4.50 0.02 -1.95 -3.43 113.55 115.41 1hk6 h SER 14 Ca -0.29 0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.06 1hk6 h SER 14 Cb 1.22 0.16 -0.12 0.00 0.14 0.00 0.00 62.40 63.81 1hk6 h SER 14 CO 0.16 -0.23 -0.05 -2.16 -1.14 0.00 0.00 176.83 173.41 1hk6 s PRO 15 N -4.02 4.12 -0.35 3.45 0.04 -1.26 -4.95 135.00 132.02 1hk6 s PRO 15 Ca -0.11 0.33 0.07 0.00 0.04 0.00 0.00 61.00 61.33 1hk6 s PRO 15 Cb 0.01 -3.61 0.61 0.00 0.04 0.00 0.00 34.50 31.55 1hk6 s PRO 15 CO 0.34 -0.25 1.70 0.09 0.04 0.00 0.00 177.00 178.92 1hk6 n ASN 16 N 5.17 3.40 -3.63 6.66 4.13 -1.26 -4.90 115.26 124.83 1hk6 n ASN 16 Ca -0.05 -3.59 0.03 0.00 1.68 0.00 0.00 54.58 52.65 1hk6 n ASN 16 Cb 0.50 -0.73 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 1hk6 n ASN 16 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1hk6 s GLU 17 N -3.21 0.00 0.00 3.52 -1.05 -1.26 -4.57 118.70 112.12 1hk6 s GLU 17 Ca 0.51 0.00 0.00 0.00 -0.15 0.00 0.00 54.97 55.33 1hk6 s GLU 17 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1hk6 s GLU 17 CO 0.07 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.69 1hk6 n GLY 18 N 3.07 3.08 3.41 -3.83 0.00 -1.22 -5.03 105.19 104.67 1hk6 n GLY 18 Ca -0.16 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.79 0.42 -0.32 -0.61 -5.35 -1.26 -2.97 119.36 108.49 1hk6 n ILE 19 Ca 0.00 -0.25 0.12 0.00 -0.27 0.00 0.00 62.75 62.35 1hk6 n ILE 19 Cb 0.00 -0.62 0.30 0.00 -1.74 0.00 0.00 39.64 37.57 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 -1.26 0.56 0.00 6.28 0.11 -1.79 0.20 132.00 136.10 1hk6 h PRO 20 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hk6 h PRO 20 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1hk6 h PRO 20 CO 0.36 0.37 0.00 0.91 -0.21 0.00 0.00 178.00 179.43 1hk6 n TRP 21 N -4.91 0.00 -2.09 0.65 7.02 -1.26 -2.21 117.44 114.64 1hk6 n TRP 21 Ca 0.21 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.27 1hk6 n TRP 21 Cb 0.58 -0.45 -0.03 0.00 -2.42 0.00 0.00 31.31 28.99 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 -2.90 3.30 0.18 -0.99 2.01 0.71 -4.84 115.64 113.12 1hk6 s THR 22 Ca 0.09 0.81 -0.30 0.00 0.31 0.00 0.00 61.69 62.60 1hk6 s THR 22 Cb 0.10 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 1hk6 s THR 22 CO 0.26 0.02 1.27 -0.75 -0.69 0.00 0.00 174.62 174.73 1hk6 s LYS 23 N 2.00 4.42 -0.10 4.92 2.20 -1.26 -3.82 119.74 128.10 1hk6 s LYS 23 Ca 0.68 1.97 0.02 0.00 -0.36 0.00 0.00 55.97 58.28 1hk6 s LYS 23 Cb -0.36 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1hk6 s LYS 23 CO 0.30 -0.21 -0.17 0.14 -0.36 0.00 0.00 175.35 175.05 1hk6 s VAL 24 N 0.18 1.59 -0.66 4.02 -7.23 -1.18 -4.88 120.40 112.24 1hk6 s VAL 24 Ca 0.56 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.74 1hk6 s VAL 24 Cb -0.35 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1hk6 s VAL 24 CO 0.36 0.46 1.33 -0.89 -0.31 0.00 0.00 175.10 176.05 1hk6 s THR 25 N 0.77 3.77 0.31 5.32 2.01 -1.26 -3.93 115.64 122.62 1hk6 s THR 25 Ca -0.11 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1hk6 s THR 25 Cb -0.16 -4.71 -0.10 0.00 0.01 0.00 0.00 72.50 67.54 1hk6 s THR 25 CO 0.02 -1.54 1.23 -0.63 -0.69 0.00 0.00 174.62 173.00 1hk6 s ILE 26 N 5.88 3.03 -0.07 1.82 1.01 -1.15 -3.49 121.20 128.22 1hk6 s ILE 26 Ca 0.42 1.03 -0.03 0.00 0.00 0.00 0.00 60.65 62.07 1hk6 s ILE 26 Cb -0.09 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.77 1hk6 s ILE 26 CO 0.20 0.24 0.16 -0.13 0.00 0.00 0.00 174.94 175.41 1hk6 s ARG 27 N -1.58 0.12 0.00 2.79 1.81 -0.96 -3.40 118.95 117.72 1hk6 s ARG 27 Ca 0.48 0.39 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 1hk6 s ARG 27 Cb -0.37 -0.15 0.00 0.00 -0.45 0.00 0.00 34.95 33.99 1hk6 s ARG 27 CO 0.48 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.36 1hk6 n GLY 28 N 4.10 1.97 3.24 -3.53 0.00 -1.26 -1.11 105.19 108.60 1hk6 n GLY 28 Ca -0.25 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 4.32 0.40 -1.27 1.61 2.02 0.10 -4.76 118.70 121.12 1hk6 s GLU 29 Ca 0.00 0.58 -0.07 0.00 0.02 0.00 0.00 54.97 55.49 1hk6 s GLU 29 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.36 1hk6 s GLU 29 CO 0.00 -0.09 0.97 0.09 0.02 0.00 0.00 175.26 176.26 1hk6 n ASN 30 N 3.32 -5.93 -2.59 -0.19 3.02 -1.25 -0.78 115.26 110.86 1hk6 n ASN 30 Ca -0.17 -0.44 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 1hk6 n ASN 30 Cb 0.57 -4.59 -0.09 0.00 -0.61 0.00 0.00 39.78 35.06 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 -4.41 6.63 -0.01 3.41 4.32 -1.26 -3.73 117.00 121.95 1hk6 n LEU 31 Ca -0.01 -3.91 0.00 0.00 -0.02 0.00 0.00 56.01 52.06 1hk6 n LEU 31 Cb 0.57 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 40.99 1hk6 n LEU 31 CO 0.56 1.83 0.00 0.61 -1.22 0.00 0.00 177.39 179.16 1hk6 n GLY 32 N 2.03 -2.55 0.24 -0.72 0.00 -1.26 -4.71 105.19 98.21 1hk6 n GLY 32 Ca 0.54 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 1.29 -3.80 2.61 1.35 -1.89 -3.38 112.91 109.10 1hk6 h THR 33 Ca 0.00 -1.54 -0.15 0.00 -0.55 0.00 0.00 66.41 64.17 1hk6 h THR 33 Cb 0.00 1.49 -0.08 0.00 -1.73 0.00 0.00 68.15 67.83 1hk6 h THR 33 CO 0.00 0.49 -0.11 -0.83 -0.25 0.00 0.00 175.52 174.82 1hk6 s GLY 34 N -4.00 0.96 0.22 5.82 0.00 -1.26 -4.67 107.32 104.40 1hk6 s GLY 34 Ca -0.08 -1.17 -0.07 0.00 0.00 0.00 0.00 44.72 43.40 1hk6 s GLY 34 CO 0.83 -0.77 1.79 -0.56 0.00 0.00 0.00 173.10 174.39 1hk6 h PRO 35 N 2.17 0.62 -1.00 2.90 0.13 -1.93 -1.83 132.00 133.07 1hk6 h PRO 35 Ca -0.28 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.85 1hk6 h PRO 35 Cb 1.25 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1hk6 h PRO 35 CO 0.38 0.41 0.65 0.00 -0.23 0.00 0.00 178.00 179.21 1hk6 h THR 36 N 0.64 1.17 -0.26 1.56 1.03 -2.01 -2.61 112.91 112.43 1hk6 h THR 36 Ca 0.34 -0.43 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 1hk6 h THR 36 Cb 0.32 -0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.19 1hk6 h THR 36 CO -0.24 0.23 0.11 0.44 -0.01 0.00 0.00 175.52 176.05 1hk6 h ASP 37 N 1.26 0.36 -2.63 0.00 5.19 -1.75 -3.43 116.42 115.42 1hk6 h ASP 37 Ca 0.40 -0.16 -0.52 0.00 -0.62 0.00 0.00 57.03 56.13 1hk6 h ASP 37 Cb 0.01 -0.09 0.06 0.00 0.18 0.00 0.00 39.33 39.49 1hk6 h ASP 37 CO -0.13 0.42 1.01 -0.11 -3.12 0.00 0.00 179.24 177.31 1hk6 n LEU 38 N -4.78 3.98 0.00 1.55 0.00 -0.98 -0.34 117.00 116.42 1hk6 n LEU 38 Ca -0.03 1.06 0.00 0.00 0.00 0.00 0.00 56.01 57.04 1hk6 n LEU 38 Cb 0.12 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 41.97 1hk6 n LEU 38 CO 0.36 0.17 0.00 2.30 0.00 0.00 0.00 177.39 180.22 1hk6 n ILE 39 N 4.00 0.00 -3.97 1.96 -5.35 -1.21 -4.87 119.36 109.91 1hk6 n ILE 39 Ca 0.16 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.29 1hk6 n ILE 39 Cb 0.35 -0.19 -0.08 0.00 -1.74 0.00 0.00 39.64 37.98 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 -3.59 1.99 -0.15 3.28 0.00 -0.77 -5.00 107.32 103.08 1hk6 s GLY 40 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 1hk6 s GLY 40 CO 0.00 -0.12 0.34 -2.27 0.00 0.00 0.00 173.10 171.05 1hk6 s LEU 41 N -0.15 -0.04 -0.20 0.66 1.98 -1.26 -1.57 118.68 118.10 1hk6 s LEU 41 Ca 0.08 0.75 -0.20 0.00 -2.89 0.00 0.00 54.13 51.88 1hk6 s LEU 41 Cb -0.12 1.08 0.06 0.00 0.66 0.00 0.00 46.19 47.86 1hk6 s LEU 41 CO 0.01 -0.20 0.57 0.42 -1.89 0.00 0.00 176.35 175.26 1hk6 s THR 42 N 1.66 0.00 -0.11 3.68 -4.23 -0.96 -2.90 115.64 112.78 1hk6 s THR 42 Ca -0.07 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1hk6 s THR 42 Cb -0.10 -0.80 0.02 0.00 1.34 0.00 0.00 72.50 72.96 1hk6 s THR 42 CO -0.11 -0.01 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.20 1hk6 s ILE 43 N 0.17 1.41 -1.48 2.99 1.01 0.11 -2.40 121.20 123.01 1hk6 s ILE 43 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1hk6 s ILE 43 Cb -0.04 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.14 1hk6 s ILE 43 CO 0.01 0.43 0.71 0.00 0.00 0.00 0.00 174.94 176.09 1hk6 n GLY 45 N -1.55 2.36 3.73 0.00 0.00 -1.26 -3.19 105.19 105.28 1hk6 n GLY 45 Ca -0.06 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1hk6 n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hk6 s HIS 46 N -0.39 3.46 0.28 1.61 5.65 -0.48 -4.99 115.29 120.43 1hk6 s HIS 46 Ca 0.00 1.40 -0.29 0.00 0.25 0.00 0.00 55.06 56.42 1hk6 s HIS 46 Cb 0.00 -3.40 -0.10 0.00 -1.18 0.00 0.00 32.58 27.90 1hk6 s HIS 46 CO 0.00 -1.15 1.27 1.21 -0.65 0.00 0.00 174.74 175.42 1hk6 s ASN 47 N 0.46 6.91 -0.28 9.88 2.47 -1.26 -0.72 114.94 132.40 1hk6 s ASN 47 Ca 0.55 2.52 0.17 0.00 0.42 0.00 0.00 52.86 56.52 1hk6 s ASN 47 Cb -0.31 -2.63 0.44 0.00 -1.45 0.00 0.00 41.25 37.29 1hk6 s ASN 47 CO 0.33 -0.45 1.33 0.00 -3.72 0.00 0.00 177.10 174.59 1hk6 h LEU 49 N 1.63 0.64 -0.91 0.00 5.85 -1.92 -2.18 115.31 118.41 1hk6 h LEU 49 Ca -0.32 -0.72 0.15 0.00 0.84 0.00 0.00 57.88 57.84 1hk6 h LEU 49 Cb 1.31 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 1hk6 h LEU 49 CO -0.03 1.26 0.50 0.17 -0.34 0.00 0.00 178.44 180.01 1hk6 h LEU 50 N 0.07 0.64 0.12 2.25 -0.00 -1.93 -1.37 115.31 115.08 1hk6 h LEU 50 Ca -0.07 0.09 -0.27 0.00 -0.00 0.00 0.00 57.88 57.63 1hk6 h LEU 50 Cb 1.33 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1hk6 h LEU 50 CO 0.13 0.27 -1.24 0.71 -0.00 0.00 0.00 178.44 178.30 1hk6 h THR 51 N 0.70 1.50 -2.62 0.15 1.35 -1.93 -3.45 112.91 108.61 1hk6 h THR 51 Ca 0.50 -3.08 -0.55 0.00 -0.55 0.00 0.00 66.41 62.73 1hk6 h THR 51 Cb 0.70 2.93 0.06 0.00 -1.73 0.00 0.00 68.15 70.11 1hk6 h THR 51 CO -0.36 0.90 0.90 0.00 -0.25 0.00 0.00 175.52 176.71 1hk6 n ALA 52 N -2.53 2.22 -3.19 6.62 0.00 -0.52 -4.61 120.51 118.50 1hk6 n ALA 52 Ca -0.08 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.51 1hk6 n ALA 52 Cb 1.02 -2.44 -0.16 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 0.75 1.89 0.44 0.00 2.56 -0.37 -4.93 118.70 119.03 1hk6 s GLU 53 Ca 0.74 -0.55 -0.24 0.00 0.00 0.00 0.00 54.97 54.92 1hk6 s GLU 53 Cb -0.57 -1.56 -0.08 0.00 2.00 0.00 0.00 34.13 33.92 1hk6 s GLU 53 CO 0.37 0.14 1.21 -0.46 -0.56 0.00 0.00 175.26 175.96 1hk6 s TRP 54 N 0.36 2.87 0.00 5.30 -0.00 -1.26 -3.07 118.94 123.14 1hk6 s TRP 54 Ca -0.11 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.50 1hk6 s TRP 54 Cb -0.14 -3.48 0.00 0.00 -0.00 0.00 0.00 33.47 29.85 1hk6 s TRP 54 CO 0.04 -1.69 0.00 -1.33 -0.00 0.00 0.00 176.95 173.96 1hk6 n MET 55 N -0.22 0.00 0.00 5.86 2.81 -1.20 -4.97 117.12 119.40 1hk6 n MET 55 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1hk6 n MET 55 Cb 0.46 -0.29 0.00 0.00 -0.71 0.00 0.00 33.22 32.68 1hk6 n MET 55 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1hk6 n SER 56 N -2.50 0.00 -1.88 7.83 3.41 -1.24 -4.99 113.62 114.25 1hk6 n SER 56 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1hk6 n SER 56 Cb 0.18 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.24 1hk6 n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hk6 n ALA 57 N -3.00 4.81 -2.24 7.33 0.00 -1.26 -4.09 120.51 122.06 1hk6 n ALA 57 Ca 0.00 -2.03 -0.00 0.00 0.00 0.00 0.00 53.44 51.41 1hk6 n ALA 57 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.49 -0.00 -3.64 0.00 3.41 -1.26 -3.80 113.62 107.84 1hk6 n SER 58 Ca 0.41 -0.74 -0.04 0.00 -0.26 0.00 0.00 58.87 58.23 1hk6 n SER 58 Cb 1.13 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.01 1hk6 n SER 58 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1hk6 s LYS 59 N 0.00 0.53 -0.23 4.33 2.20 -1.26 -4.25 119.74 121.06 1hk6 s LYS 59 Ca 0.00 0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 56.51 1hk6 s LYS 59 Cb 0.00 0.13 0.12 0.00 -1.51 0.00 0.00 37.83 36.57 1hk6 s LYS 59 CO -0.00 -0.11 0.38 0.42 -0.36 0.00 0.00 175.35 175.67 1hk6 s ILE 60 N 1.53 -0.60 -0.04 5.43 1.01 -1.22 -3.20 121.20 124.11 1hk6 s ILE 60 Ca -0.09 -0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 1hk6 s ILE 60 Cb -0.04 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1hk6 s ILE 60 CO -0.17 -0.09 0.79 0.68 0.00 0.00 0.00 174.94 176.15 1hk6 s VAL 61 N 2.55 4.98 -0.18 2.92 -7.23 -1.17 -2.95 120.40 119.31 1hk6 s VAL 61 Ca 0.10 1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 61.61 1hk6 s VAL 61 Cb -0.15 -4.13 0.14 0.00 0.56 0.00 0.00 36.38 32.80 1hk6 s VAL 61 CO -0.15 0.23 1.07 0.00 -0.31 0.00 0.00 175.10 175.94 1hk6 s ARG 63 N -1.25 4.48 0.24 0.00 0.52 -1.26 -3.10 118.95 118.57 1hk6 s ARG 63 Ca 0.01 1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 56.01 1hk6 s ARG 63 Cb -0.01 -3.46 -0.10 0.00 0.52 0.00 0.00 34.95 31.91 1hk6 s ARG 63 CO -0.01 0.01 1.43 0.14 0.02 0.00 0.00 175.30 176.89 1hk6 s VAL 64 N 0.92 2.71 0.00 3.52 -7.23 -0.94 -4.88 120.40 114.51 1hk6 s VAL 64 Ca 0.43 0.59 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 1hk6 s VAL 64 Cb -0.19 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.37 1hk6 s VAL 64 CO 0.22 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 1hk6 n GLY 65 N 2.31 -0.62 2.87 2.32 0.00 -1.24 -4.20 105.19 106.62 1hk6 n GLY 65 Ca 0.07 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.01 0.18 1.61 -2.07 -1.26 -4.57 119.66 113.56 1hk6 s GLN 66 Ca 0.00 0.07 -0.33 0.00 -1.82 0.00 0.00 55.36 53.28 1hk6 s GLN 66 Cb 0.00 -0.04 -0.15 0.00 -1.09 0.00 0.00 33.01 31.72 1hk6 s GLN 66 CO 0.00 -0.04 1.23 0.00 -1.32 0.00 0.00 175.29 175.16 1hk6 n ALA 67 N 3.32 -0.40 0.00 2.60 0.00 -1.26 -4.42 120.51 120.35 1hk6 n ALA 67 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1hk6 n ALA 67 Cb 0.58 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.91 0.00 0.16 0.00 5.02 -1.19 -4.95 118.16 119.10 1hk6 n LYS 68 Ca 0.15 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 1hk6 n LYS 68 Cb 0.25 -0.19 -0.08 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.32 0.00 4.39 2.35 -1.87 -3.47 115.58 116.66 1hk6 h ASN 69 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1hk6 h ASN 69 Cb 0.00 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1hk6 h ASN 69 CO 0.00 -0.08 0.00 -0.90 -1.65 0.00 0.00 177.43 174.80 1hk6 n ASP 70 N -5.18 0.00 0.12 5.81 5.68 -1.26 -5.04 116.55 116.68 1hk6 n ASP 70 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1hk6 n ASP 70 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1hk6 n ASP 70 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hk6 n LYS 71 N -0.72 0.00 0.00 0.11 4.76 -1.26 -5.06 118.16 115.98 1hk6 n LYS 71 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1hk6 n LYS 71 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1hk6 n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hk6 n GLY 72 N 0.40 0.00 3.73 0.72 0.00 -1.26 -4.61 105.19 104.16 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 6.58 0.05 1.61 1.01 -1.26 -2.67 116.67 121.99 1hk6 s ASP 73 Ca 0.00 2.66 -0.24 0.00 0.71 0.00 0.00 52.55 55.68 1hk6 s ASP 73 Cb 0.00 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 1hk6 s ASP 73 CO 0.00 -0.81 0.74 -0.63 0.21 0.00 0.00 175.17 174.68 1hk6 s ILE 74 N 0.78 4.71 -0.03 0.77 1.01 -1.25 -3.20 121.20 124.00 1hk6 s ILE 74 Ca 0.67 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.91 1hk6 s ILE 74 Cb -0.44 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 37.96 1hk6 s ILE 74 CO 0.35 0.40 -0.05 -0.63 0.00 0.00 0.00 174.94 175.01 1hk6 s ILE 75 N -0.24 0.53 -0.08 2.92 -1.09 -1.01 -4.32 121.20 117.92 1hk6 s ILE 75 Ca 0.37 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 1hk6 s ILE 75 Cb -0.20 -0.52 0.04 0.00 -1.58 0.00 0.00 42.46 40.20 1hk6 s ILE 75 CO 0.22 0.20 0.11 -0.69 -1.23 0.00 0.00 174.94 173.55 1hk6 s VAL 76 N 0.48 -0.18 -0.17 2.92 1.01 -1.26 -2.26 120.40 120.94 1hk6 s VAL 76 Ca -0.06 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 1hk6 s VAL 76 Cb -0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1hk6 s VAL 76 CO 0.00 0.11 0.19 -0.89 0.00 0.00 0.00 175.10 174.51 1hk6 s THR 77 N 2.22 5.38 0.00 3.92 2.01 -0.61 -2.99 115.64 125.58 1hk6 s THR 77 Ca 0.04 0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 1hk6 s THR 77 Cb -0.13 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1hk6 s THR 77 CO -0.05 0.46 0.20 0.42 -0.69 0.00 0.00 174.62 174.96 1hk6 s THR 78 N 0.13 5.40 0.12 -0.82 -4.23 -1.07 -1.85 115.64 113.33 1hk6 s THR 78 Ca 0.12 -0.12 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1hk6 s THR 78 Cb -0.12 -3.55 -0.08 0.00 1.34 0.00 0.00 72.50 70.09 1hk6 s THR 78 CO 0.01 0.31 1.74 0.50 -0.54 0.00 0.00 174.62 176.64 1hk6 h LYS 79 N 3.76 0.10 0.22 3.99 1.63 -1.01 -3.17 116.57 122.08 1hk6 h LYS 79 Ca -0.49 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 1hk6 h LYS 79 Cb 1.19 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1hk6 h LYS 79 CO 0.69 0.07 -0.10 0.66 -3.45 0.00 0.00 179.45 177.31 1hk6 h SER 80 N 0.10 -0.25 0.00 4.20 4.64 -1.96 -3.45 113.55 116.84 1hk6 h SER 80 Ca 0.06 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1hk6 h SER 80 Cb 0.05 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1hk6 h SER 80 CO -0.08 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1hk6 n GLY 81 N 0.22 0.38 0.00 -0.77 0.00 -1.20 -4.94 105.19 98.88 1hk6 n GLY 81 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 4.38 2.64 3.70 -0.02 0.00 -1.22 -4.74 105.19 109.93 1hk6 n GLY 82 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.72 4.21 0.00 1.61 2.20 -1.26 -2.58 119.74 128.64 1hk6 s LYS 83 Ca 0.00 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1hk6 s LYS 83 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1hk6 s LYS 83 CO 0.00 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1hk6 n GLY 84 N 3.91 0.89 3.46 5.54 0.00 -1.16 -4.73 105.19 113.10 1hk6 n GLY 84 Ca 0.15 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 1hk6 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hk6 s THR 85 N 0.04 0.01 -0.28 2.61 -4.23 0.43 -4.89 115.64 109.33 1hk6 s THR 85 Ca 0.00 -0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 1hk6 s THR 85 Cb 0.00 -0.95 0.12 0.00 1.34 0.00 0.00 72.50 73.01 1hk6 s THR 85 CO 0.00 -0.06 0.62 -0.94 -0.54 0.00 0.00 174.62 173.70 1hk6 s SER 86 N -1.46 -0.98 -0.50 3.99 1.04 -1.26 -1.45 113.70 113.08 1hk6 s SER 86 Ca -0.09 1.47 -0.00 0.00 0.48 0.00 0.00 55.95 57.80 1hk6 s SER 86 Cb -0.01 2.03 0.40 0.00 0.10 0.00 0.00 66.02 68.55 1hk6 s SER 86 CO 0.06 -0.22 1.96 0.35 0.98 0.00 0.00 173.24 176.36 1hk6 n THR 87 N 5.29 3.19 -3.74 2.02 -2.24 -1.26 -4.77 114.28 112.77 1hk6 n THR 87 Ca -0.13 -2.23 -0.11 0.00 -2.27 0.00 0.00 64.05 59.32 1hk6 n THR 87 Cb 0.50 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.60 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 -3.58 0.09 -0.09 2.28 -7.23 -1.26 -5.10 120.40 105.51 1hk6 s VAL 88 Ca 0.51 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.87 1hk6 s VAL 88 Cb 0.40 -1.09 0.03 0.00 0.56 0.00 0.00 36.38 36.28 1hk6 s VAL 88 CO 0.02 -0.41 0.22 -0.94 -0.31 0.00 0.00 175.10 173.67 1hk6 s SER 89 N -2.44 -0.23 -0.05 4.85 1.04 -1.26 -3.82 113.70 111.79 1hk6 s SER 89 Ca -0.01 0.45 -0.25 0.00 0.48 0.00 0.00 55.95 56.63 1hk6 s SER 89 Cb 0.01 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1hk6 s SER 89 CO -0.07 -0.11 0.75 0.12 0.98 0.00 0.00 173.24 174.91 1hk6 s PHE 90 N 0.54 3.60 -0.22 5.02 5.36 -1.09 -4.89 117.98 126.31 1hk6 s PHE 90 Ca -0.04 1.34 -0.27 0.00 -0.96 0.00 0.00 56.93 57.00 1hk6 s PHE 90 Cb -0.05 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.78 1hk6 s PHE 90 CO -0.03 0.09 0.94 0.21 -1.46 0.00 0.00 175.22 174.98 1hk6 s LYS 91 N 0.75 4.25 -0.10 10.12 2.20 -1.26 -4.55 119.74 131.15 1hk6 s LYS 91 Ca 0.40 1.18 -0.26 0.00 -0.36 0.00 0.00 55.97 56.93 1hk6 s LYS 91 Cb -0.18 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 1hk6 s LYS 91 CO 0.20 -0.53 0.83 -0.51 -0.36 0.00 0.00 175.35 174.98 1hk6 s LEU 92 N 2.87 4.26 -0.09 5.43 2.01 -1.26 -3.45 118.68 128.45 1hk6 s LEU 92 Ca 0.41 1.30 -0.14 0.00 0.01 0.00 0.00 54.13 55.70 1hk6 s LEU 92 Cb -0.16 -3.28 -0.05 0.00 0.01 0.00 0.00 46.19 42.72 1hk6 s LEU 92 CO 0.08 -0.29 0.36 -0.76 1.01 0.00 0.00 176.35 176.75 1hk6 s LEU 93 N 1.50 4.36 0.12 1.79 1.43 -1.16 -4.95 118.68 121.78 1hk6 s LEU 93 Ca 0.41 0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 53.94 1hk6 s LEU 93 Cb -0.18 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 1hk6 s LEU 93 CO 0.18 0.20 1.48 -0.54 0.23 0.00 0.00 176.35 177.90 1hk6 s LYS 94 N -0.26 4.27 0.27 1.70 -0.14 -1.26 -4.13 119.74 120.18 1hk6 s LYS 94 Ca 0.21 2.20 -0.30 0.00 -1.36 0.00 0.00 55.97 56.71 1hk6 s LYS 94 Cb -0.15 -3.27 -0.11 0.00 -1.68 0.00 0.00 37.83 32.62 1hk6 s LYS 94 CO 0.09 -0.54 1.61 -2.14 -0.76 0.00 0.00 175.35 173.61 1hk6 s PRO 95 N 1.35 4.13 -0.32 -1.68 0.02 -1.26 -4.92 135.00 132.32 1hk6 s PRO 95 Ca 0.67 2.56 -0.29 0.00 0.02 0.00 0.00 61.00 63.97 1hk6 s PRO 95 Cb -0.39 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 1hk6 s PRO 95 CO 0.31 -0.65 1.48 -2.00 -0.33 0.00 0.00 177.00 175.80 1hk6 s GLU 96 N -0.07 3.71 0.00 5.54 2.12 -1.26 -5.22 118.70 123.52 1hk6 s GLU 96 Ca 0.66 1.28 0.00 0.00 0.36 0.00 0.00 54.97 57.27 1hk6 s GLU 96 Cb -0.48 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 29.91 1hk6 s GLU 96 CO 0.44 -1.39 0.00 1.63 -0.54 0.00 0.00 175.26 175.40