#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hae s HIS 2 N 0.00 3.79 -0.86 1.43 5.65 -0.60 -4.66 115.29 120.04 1hae s HIS 2 Ca 0.00 1.64 -0.20 0.00 0.25 0.00 0.00 55.06 56.75 1hae s HIS 2 Cb 0.00 -2.92 0.11 0.00 -1.18 0.00 0.00 32.58 28.59 1hae s HIS 2 CO 0.00 0.27 1.10 -0.51 -0.65 0.00 0.00 174.74 174.96 1hae s LEU 3 N -0.17 4.77 -0.09 8.88 1.43 -1.26 -1.00 118.68 131.24 1hae s LEU 3 Ca 0.42 -1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 51.69 1hae s LEU 3 Cb -0.22 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1hae s LEU 3 CO 0.27 -1.20 0.27 0.68 0.23 0.00 0.00 176.35 176.60 1hae s VAL 4 N 3.21 5.29 0.16 -1.59 -7.23 -0.94 -4.81 120.40 114.49 1hae s VAL 4 Ca 0.31 0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 60.67 1hae s VAL 4 Cb -0.08 -3.57 -0.10 0.00 0.56 0.00 0.00 36.38 33.20 1hae s VAL 4 CO -0.04 0.54 1.52 -0.75 -0.31 0.00 0.00 175.10 176.06 1hae s LYS 5 N -0.60 4.24 0.35 4.82 2.20 -1.26 -0.55 119.74 128.93 1hae s LYS 5 Ca 0.18 2.29 -0.28 0.00 -0.36 0.00 0.00 55.97 57.81 1hae s LYS 5 Cb -0.14 -3.17 -0.12 0.00 -1.51 0.00 0.00 37.83 32.89 1hae s LYS 5 CO 0.07 -0.56 1.26 0.00 -0.36 0.00 0.00 175.35 175.76 1hae s ALA 7 N -1.10 2.02 0.25 0.00 0.00 -1.26 -4.43 121.76 117.23 1hae s ALA 7 Ca 0.56 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1hae s ALA 7 Cb -0.57 -3.37 0.48 0.00 0.00 0.00 0.00 23.12 19.66 1hae s ALA 7 CO 0.62 -2.03 1.70 1.05 0.00 0.00 0.00 175.76 177.10 1hae h GLU 8 N -1.05 0.31 0.00 0.00 9.09 -1.98 0.43 114.58 121.38 1hae h GLU 8 Ca -0.45 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 58.94 1hae h GLU 8 Cb 1.26 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1hae h GLU 8 CO 0.48 0.21 -0.01 1.57 0.05 0.00 0.00 179.01 181.31 1hae h LYS 9 N 0.32 0.00 0.00 1.06 2.10 -2.04 -2.63 116.57 115.39 1hae h LYS 9 Ca 0.43 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.94 1hae h LYS 9 Cb 0.72 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.02 1hae h LYS 9 CO -0.48 0.01 -2.01 0.39 -2.00 0.00 0.00 179.45 175.35 1hae n GLU 10 N -4.10 0.66 0.27 0.07 1.02 0.43 -4.46 120.64 114.52 1hae n GLU 10 Ca -0.03 -0.07 0.18 0.00 -0.02 0.00 0.00 57.16 57.21 1hae n GLU 10 Cb 0.09 -1.57 0.80 0.00 -0.02 0.00 0.00 31.44 30.75 1hae n GLU 10 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1hae h LYS 11 N 0.00 0.00 0.00 3.49 2.10 0.10 -0.48 116.57 121.78 1hae h LYS 11 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1hae h LYS 11 Cb 1.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.81 1hae h LYS 11 CO 0.01 0.00 0.00 1.79 -2.00 0.00 0.00 179.45 179.25 1hae h THR 12 N 0.00 0.00 -0.79 0.07 1.35 -1.78 -3.15 112.91 108.61 1hae h THR 12 Ca 0.00 -0.41 0.23 0.00 -0.55 0.00 0.00 66.41 65.69 1hae h THR 12 Cb 0.31 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 1hae h THR 12 CO 0.00 0.00 0.68 0.15 -0.25 0.00 0.00 175.52 176.10 1hae h PHE 13 N 0.00 0.00 -3.35 4.73 3.57 -1.36 -3.32 116.94 117.20 1hae h PHE 13 Ca 0.00 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.95 1hae h PHE 13 Cb 0.44 0.00 -0.38 0.00 2.79 0.00 0.00 35.95 38.80 1hae h PHE 13 CO 0.00 0.00 -0.79 0.00 -2.23 0.00 0.00 178.31 175.29 1hae n VAL 15 N 4.88 0.00 -3.87 0.00 0.24 -0.83 -3.56 118.33 115.19 1hae n VAL 15 Ca -0.11 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.34 61.73 1hae n VAL 15 Cb 0.47 -1.45 0.02 0.00 -1.47 0.00 0.00 33.84 31.41 1hae n VAL 15 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1hae n ASN 16 N -3.01 -2.55 -1.03 -1.34 3.02 -1.26 -1.05 115.26 108.05 1hae n ASN 16 Ca 0.02 -0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 53.59 1hae n ASN 16 Cb 0.08 -3.72 -0.05 0.00 -0.61 0.00 0.00 39.78 35.48 1hae n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hae n GLY 17 N -1.68 1.18 3.66 7.41 0.00 -1.26 -4.56 105.19 109.94 1hae n GLY 17 Ca -0.14 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1hae n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hae s GLY 18 N -2.82 1.51 -0.95 -0.02 0.00 -0.21 -4.58 107.32 100.25 1hae s GLY 18 Ca 0.00 1.09 -0.24 0.00 0.00 0.00 0.00 44.72 45.57 1hae s GLY 18 CO 0.00 3.18 1.41 -0.54 0.00 0.00 0.00 173.10 177.15 1hae s GLU 19 N 4.08 3.48 0.05 2.90 2.02 -0.93 -4.72 118.70 125.58 1hae s GLU 19 Ca 0.79 -0.89 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 1hae s GLU 19 Cb -0.37 -5.06 -0.05 0.00 0.10 0.00 0.00 34.13 28.76 1hae s GLU 19 CO 0.34 -2.20 1.13 0.00 0.02 0.00 0.00 175.26 174.54 1hae s PHE 21 N 1.01 1.62 -0.12 0.00 0.40 0.12 -1.66 117.98 119.36 1hae s PHE 21 Ca 0.56 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1hae s PHE 21 Cb -0.27 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.37 1hae s PHE 21 CO 0.29 0.08 -0.16 -1.64 0.70 0.00 0.00 175.22 174.49 1hae s MET 22 N -3.80 2.35 -1.34 0.44 -1.94 0.28 -1.28 119.30 114.01 1hae s MET 22 Ca 0.27 -0.61 -0.16 0.00 -1.71 0.00 0.00 55.69 53.48 1hae s MET 22 Cb 0.04 -1.99 0.02 0.00 2.01 0.00 0.00 34.83 34.91 1hae s MET 22 CO 0.08 -0.07 2.08 0.28 -0.01 0.00 0.00 175.02 177.38 1hae n VAL 23 N 4.23 3.34 -2.27 -6.03 0.31 0.08 -2.22 118.33 115.77 1hae n VAL 23 Ca -0.19 -3.07 -0.41 0.00 -0.01 0.00 0.00 64.34 60.66 1hae n VAL 23 Cb 0.51 -2.51 -0.03 0.00 -0.91 0.00 0.00 33.84 30.91 1hae n VAL 23 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1hae s LYS 24 N 3.73 3.13 0.28 5.55 -0.14 -0.17 -4.56 119.74 127.56 1hae s LYS 24 Ca 0.50 0.55 0.09 0.00 -1.36 0.00 0.00 55.97 55.75 1hae s LYS 24 Cb 0.11 -4.20 -0.06 0.00 -1.68 0.00 0.00 37.83 32.01 1hae s LYS 24 CO -0.02 -2.14 -0.12 0.34 -0.76 0.00 0.00 175.35 172.64 1hae s ASP 25 N 5.47 3.22 -1.18 2.83 2.15 -1.26 -1.50 116.67 126.40 1hae s ASP 25 Ca 0.58 -1.12 -0.09 0.00 0.43 0.00 0.00 52.55 52.35 1hae s ASP 25 Cb -0.12 -0.25 -0.13 0.00 -0.30 0.00 0.00 42.92 42.12 1hae s ASP 25 CO 0.24 -0.16 3.08 0.18 -0.17 0.00 0.00 175.17 178.33 1hae n LEU 26 N -0.61 7.68 0.04 -1.34 4.77 -1.26 -3.42 117.00 122.86 1hae n LEU 26 Ca -0.06 -3.98 0.00 0.00 -0.03 0.00 0.00 56.01 51.94 1hae n LEU 26 Cb 0.62 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1hae n LEU 26 CO 0.39 1.90 0.00 -1.20 -1.33 0.00 0.00 177.39 177.15 1hae n SER 27 N 3.34 -0.50 -4.62 -1.43 7.64 -1.26 -5.15 113.62 111.64 1hae n SER 27 Ca 0.68 0.15 -0.27 0.00 1.01 0.00 0.00 58.87 60.45 1hae n SER 27 Cb 0.39 0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 64.20 1hae n SER 27 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hae s ASN 28 N -3.43 4.54 -0.06 6.43 2.20 -1.22 -5.07 114.94 118.34 1hae s ASN 28 Ca 0.00 -0.47 -0.26 0.00 -0.94 0.00 0.00 52.86 51.18 1hae s ASN 28 Cb 0.00 -0.89 -0.23 0.00 -2.00 0.00 0.00 41.25 38.14 1hae s ASN 28 CO 0.00 0.10 1.06 1.55 -2.94 0.00 0.00 177.10 176.87 1hae h PRO 29 N 2.80 0.06 0.00 3.55 0.13 -1.94 -3.41 132.00 133.19 1hae h PRO 29 Ca -0.47 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.43 1hae h PRO 29 Cb 1.20 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1hae h PRO 29 CO 0.56 0.76 -0.30 -1.13 -0.23 0.00 0.00 178.00 177.66 1hae n SER 30 N -4.69 -2.15 -4.70 1.44 3.41 -1.26 -4.94 113.62 100.74 1hae n SER 30 Ca -0.09 -2.98 -0.42 0.00 -0.26 0.00 0.00 58.87 55.12 1hae n SER 30 Cb 0.38 1.59 -0.03 0.00 -0.26 0.00 0.00 64.21 65.90 1hae n SER 30 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hae s ARG 31 N 0.33 4.25 0.06 4.33 0.52 -1.26 -4.88 118.95 122.29 1hae s ARG 31 Ca 0.25 2.17 -0.19 0.00 -0.52 0.00 0.00 55.73 57.44 1hae s ARG 31 Cb 0.26 -3.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.21 1hae s ARG 31 CO -0.14 -0.61 0.57 0.71 0.02 0.00 0.00 175.30 175.85 1hae s TYR 32 N 2.06 3.79 -0.17 -0.53 2.02 -1.26 -0.74 117.35 122.52 1hae s TYR 32 Ca 0.68 1.26 -0.03 0.00 -0.37 0.00 0.00 57.07 58.62 1hae s TYR 32 Cb -0.37 -2.51 0.06 0.00 -0.40 0.00 0.00 41.96 38.73 1hae s TYR 32 CO 0.30 0.56 0.05 -1.17 -1.57 0.00 0.00 175.55 173.72 1hae s LEU 33 N -0.99 0.84 -0.23 -1.29 1.98 -0.40 -4.90 118.68 113.69 1hae s LEU 33 Ca 0.29 -0.64 -0.04 0.00 -2.89 0.00 0.00 54.13 50.85 1hae s LEU 33 Cb -0.19 -0.46 -0.00 0.00 0.66 0.00 0.00 46.19 46.19 1hae s LEU 33 CO 0.19 -0.30 -0.04 0.00 -1.89 0.00 0.00 176.35 174.31 1hae s LYS 35 N 1.47 3.95 0.70 0.00 1.02 0.03 -4.87 119.74 122.05 1hae s LYS 35 Ca 0.05 -2.02 -0.12 0.00 0.02 0.00 0.00 55.97 53.90 1hae s LYS 35 Cb -0.15 -5.39 0.02 0.00 -0.52 0.00 0.00 37.83 31.79 1hae s LYS 35 CO -0.03 -2.12 1.07 0.00 -0.92 0.00 0.00 175.35 173.35 1hae s GLN 37 N -4.79 3.58 -0.30 0.00 -1.52 -1.26 -4.87 119.66 110.50 1hae s GLN 37 Ca 0.60 1.99 -0.28 0.00 -1.95 0.00 0.00 55.36 55.72 1hae s GLN 37 Cb -0.16 -2.41 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1hae s GLN 37 CO 0.52 -0.76 1.93 -1.25 -0.25 0.00 0.00 175.29 175.48 1hae s PRO 38 N -2.69 3.25 0.00 2.91 0.04 -1.26 -3.08 135.00 134.16 1hae s PRO 38 Ca 0.65 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1hae s PRO 38 Cb -0.34 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1hae s PRO 38 CO 0.41 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1hae n GLY 39 N 5.54 1.00 3.09 0.56 0.00 -1.26 -4.89 105.19 109.21 1hae n GLY 39 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1hae n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hae s PHE 40 N -1.96 0.68 0.33 1.61 0.40 -1.18 -1.53 117.98 116.32 1hae s PHE 40 Ca 0.00 -0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 55.59 1hae s PHE 40 Cb 0.00 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 43.13 1hae s PHE 40 CO 0.00 -0.14 0.54 -0.08 0.70 0.00 0.00 175.22 176.24 1hae s THR 41 N -2.22 0.00 0.00 0.64 -1.32 0.16 -4.90 115.64 108.00 1hae s THR 41 Ca -0.03 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 1hae s THR 41 Cb -0.04 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1hae s THR 41 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1hae n GLY 42 N -0.52 1.27 0.31 6.08 0.00 -1.26 -1.69 105.19 109.39 1hae n GLY 42 Ca -0.02 -1.85 0.10 0.00 0.00 0.00 0.00 46.02 44.25 1hae n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hae h ALA 43 N 0.00 1.35 -0.22 4.61 0.00 -2.00 -1.64 119.26 121.35 1hae h ALA 43 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1hae h ALA 43 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1hae h ALA 43 CO 0.00 -0.23 -0.03 0.54 0.00 0.00 0.00 179.25 179.53 1hae n ARG 44 N -4.97 2.28 -3.73 0.00 1.74 -1.26 -4.97 116.66 105.75 1hae n ARG 44 Ca 0.19 -2.89 -0.23 0.00 -0.77 0.00 0.00 57.85 54.15 1hae n ARG 44 Cb 0.55 -1.76 0.04 0.00 -1.02 0.00 0.00 32.46 30.26 1hae n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hae h THR 46 N -1.99 0.82 -3.43 0.00 1.35 -1.68 -3.40 112.91 104.59 1hae h THR 46 Ca -0.60 -2.35 -0.60 0.00 -0.55 0.00 0.00 66.41 62.31 1hae h THR 46 Cb 1.36 2.55 -0.10 0.00 -1.73 0.00 0.00 68.15 70.23 1hae h THR 46 CO 0.59 0.74 0.13 -1.61 -0.25 0.00 0.00 175.52 175.12 1hae s GLU 47 N -2.51 4.19 0.49 4.72 0.41 -0.68 -4.94 118.70 120.39 1hae s GLU 47 Ca -0.22 0.60 -0.20 0.00 -0.41 0.00 0.00 54.97 54.75 1hae s GLU 47 Cb 0.06 -3.59 -0.08 0.00 -1.78 0.00 0.00 34.13 28.73 1hae s GLU 47 CO 0.75 -0.28 1.02 0.54 -0.49 0.00 0.00 175.26 176.80 1hae s ASN 48 N 1.25 6.42 0.34 -0.19 4.22 -1.26 -0.67 114.94 125.05 1hae s ASN 48 Ca 0.28 1.84 0.04 0.00 -2.14 0.00 0.00 52.86 52.87 1hae s ASN 48 Cb -0.16 -2.55 -0.05 0.00 1.28 0.00 0.00 41.25 39.77 1hae s ASN 48 CO 0.10 -0.73 0.07 0.68 -2.04 0.00 0.00 177.10 175.18 1hae s VAL 49 N -2.13 1.06 -0.44 3.54 -7.23 -0.58 -4.87 120.40 109.74 1hae s VAL 49 Ca 0.65 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 58.49 1hae s VAL 49 Cb -0.14 -2.69 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 1hae s VAL 49 CO 0.21 0.00 2.28 -2.65 -0.31 0.00 0.00 175.10 174.64 1hae n PRO 50 N -0.74 0.98 -0.07 4.82 -0.02 -1.26 -4.76 135.00 133.95 1hae n PRO 50 Ca -0.03 0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1hae n PRO 50 Cb 0.66 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1hae n PRO 50 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1hae n MET 51 N 8.38 0.40 -2.89 -0.52 2.81 -1.26 -4.88 117.12 119.15 1hae n MET 51 Ca 0.43 0.16 -0.21 0.00 -1.81 0.00 0.00 57.70 56.28 1hae n MET 51 Cb 0.26 -1.18 0.08 0.00 -0.71 0.00 0.00 33.22 31.67 1hae n MET 51 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1hae s LYS 52 N -2.53 2.09 -1.39 0.03 -2.85 -1.26 -4.99 119.74 108.84 1hae s LYS 52 Ca -0.24 -1.48 -0.13 0.00 -1.00 0.00 0.00 55.97 53.13 1hae s LYS 52 Cb 0.06 -2.54 0.08 0.00 -2.06 0.00 0.00 37.83 33.37 1hae s LYS 52 CO 0.32 -1.06 2.06 1.33 0.10 0.00 0.00 175.35 178.11 1hae n VAL 53 N -2.44 3.76 -0.23 1.79 0.24 -1.26 -4.82 118.33 115.36 1hae n VAL 53 Ca 0.16 -3.54 0.20 0.00 -2.04 0.00 0.00 64.34 59.12 1hae n VAL 53 Cb 0.61 -2.51 0.37 0.00 -1.47 0.00 0.00 33.84 30.84 1hae n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hae n GLN 54 N 5.69 -0.05 -0.15 7.34 6.02 -1.26 -0.68 117.38 134.29 1hae n GLN 54 Ca 0.48 1.00 0.22 0.00 -0.01 0.00 0.00 57.00 58.69 1hae n GLN 54 Cb 0.39 -1.75 0.62 0.00 1.02 0.00 0.00 30.24 30.52 1hae n GLN 54 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1hae h ASN 55 N 0.00 0.19 0.00 1.08 -1.07 -1.98 -3.20 115.58 110.59 1hae h ASN 55 Ca 0.56 0.02 -0.68 0.00 0.07 0.00 0.00 56.30 56.27 1hae h ASN 55 Cb 1.42 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 37.64 1hae h ASN 55 CO -0.58 0.08 3.03 0.00 0.07 0.00 0.00 177.43 180.04 1hae n GLN 56 N -4.40 2.65 0.05 4.14 6.02 0.14 -1.08 117.38 124.90 1hae n GLN 56 Ca 0.16 -2.37 0.00 0.00 -0.01 0.00 0.00 57.00 54.78 1hae n GLN 56 Cb 0.73 -3.13 0.00 0.00 1.02 0.00 0.00 30.24 28.85 1hae n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1hae n GLU 57 N 5.94 0.00 -0.09 -1.09 2.13 -0.56 -2.75 120.64 124.23 1hae n GLU 57 Ca 0.54 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.24 1hae n GLU 57 Cb 0.37 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.03 1hae n GLU 57 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1hae h LYS 58 N 0.00 0.53 0.00 5.31 1.57 -1.64 -3.30 116.57 119.04 1hae h LYS 58 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1hae h LYS 58 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1hae h LYS 58 CO 0.00 0.76 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1hae n ALA 59 N -2.41 0.00 -2.95 3.86 0.00 -0.24 -4.76 120.51 114.01 1hae n ALA 59 Ca -0.04 -0.11 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 1hae n ALA 59 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 1hae n ALA 59 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hae s GLU 60 N -0.65 3.25 -1.21 0.00 8.01 -1.25 -4.96 118.70 121.88 1hae s GLU 60 Ca 0.00 -1.26 -0.22 0.00 0.01 0.00 0.00 54.97 53.50 1hae s GLU 60 Cb 0.00 -4.44 -0.06 0.00 -4.31 0.00 0.00 34.13 25.32 1hae s GLU 60 CO 0.00 -1.72 1.89 -2.00 0.01 0.00 0.00 175.26 173.44 1hae s GLU 61 N 3.23 2.81 0.08 1.61 2.56 -1.24 -1.49 118.70 126.24 1hae s GLU 61 Ca 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 54.97 53.84 1hae s GLU 61 Cb -0.15 -5.31 0.00 0.00 2.00 0.00 0.00 34.13 30.67 1hae s GLU 61 CO 0.03 -3.63 0.00 1.28 -0.56 0.00 0.00 175.26 172.38 1hae n LEU 62 N 13.14 0.27 -0.37 2.70 4.77 -1.26 -4.99 117.00 131.26 1hae n LEU 62 Ca 0.46 0.12 0.05 0.00 -0.03 0.00 0.00 56.01 56.61 1hae n LEU 62 Cb 0.46 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1hae n LEU 62 CO 0.70 -0.45 0.40 -1.22 -1.33 0.00 0.00 177.39 175.49