#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zaa n PRO 4 N 0.00 1.08 -3.97 5.56 -0.04 -1.04 -4.36 135.00 132.22 1zaa n PRO 4 Ca 0.00 -0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 1zaa n PRO 4 Cb 0.00 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.92 1zaa n PRO 4 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1zaa s TYR 5 N -1.99 2.92 0.05 0.54 2.02 -0.52 -4.95 117.35 115.43 1zaa s TYR 5 Ca 0.37 -1.07 0.06 0.00 -0.37 0.00 0.00 57.07 56.06 1zaa s TYR 5 Cb 0.17 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1zaa s TYR 5 CO 0.29 -0.59 -0.10 0.00 -1.57 0.00 0.00 175.55 173.58 1zaa s ALA 6 N 1.41 2.91 -0.16 3.71 0.00 -1.26 0.14 121.76 128.51 1zaa s ALA 6 Ca 0.05 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 1zaa s ALA 6 Cb -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1zaa s ALA 6 CO -0.05 0.62 1.18 0.00 0.00 0.00 0.00 175.76 177.51 1zaa n PRO 8 N 6.23 0.45 -2.32 0.00 -0.04 -1.26 -4.72 135.00 133.34 1zaa n PRO 8 Ca 0.13 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 1zaa n PRO 8 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1zaa n PRO 8 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1zaa s VAL 9 N -2.24 3.97 -1.54 0.52 1.01 -1.26 -4.86 120.40 116.00 1zaa s VAL 9 Ca 0.24 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1zaa s VAL 9 Cb 0.13 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1zaa s VAL 9 CO 0.24 -0.46 0.37 -1.84 0.00 0.00 0.00 175.10 173.42 1zaa n GLU 10 N 7.53 0.00 -0.05 2.72 0.00 -1.26 -0.84 120.64 128.74 1zaa n GLU 10 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.28 1zaa n GLU 10 Cb 0.46 -1.48 -0.09 0.00 0.00 0.00 0.00 31.44 30.33 1zaa n GLU 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1zaa n SER 11 N -0.87 2.11 -4.82 -1.84 3.41 -1.26 -5.01 113.62 105.34 1zaa n SER 11 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1zaa n SER 11 Cb 0.00 0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 1zaa n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zaa n ASP 13 N 0.96 0.24 -4.66 0.00 5.75 -1.26 -4.72 116.55 112.85 1zaa n ASP 13 Ca -0.05 -0.12 -0.41 0.00 -0.01 0.00 0.00 54.79 54.20 1zaa n ASP 13 Cb 0.51 1.86 0.01 0.00 -1.03 0.00 0.00 41.12 42.47 1zaa n ASP 13 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1zaa n ARG 14 N -2.15 1.68 -4.39 0.11 1.74 -1.26 -4.81 116.66 107.58 1zaa n ARG 14 Ca -0.03 0.60 -0.19 0.00 -0.77 0.00 0.00 57.85 57.46 1zaa n ARG 14 Cb 0.53 -2.23 -0.15 0.00 -1.02 0.00 0.00 32.46 29.59 1zaa n ARG 14 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1zaa s ARG 15 N -2.10 0.83 0.13 5.56 0.52 -1.26 0.25 118.95 122.88 1zaa s ARG 15 Ca 0.62 -0.32 0.05 0.00 -0.52 0.00 0.00 55.73 55.55 1zaa s ARG 15 Cb -0.54 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 1zaa s ARG 15 CO 0.58 0.17 -0.11 -0.06 0.02 0.00 0.00 175.30 175.89 1zaa s PHE 16 N -0.06 1.26 0.09 -0.53 0.08 0.38 -4.93 117.98 114.27 1zaa s PHE 16 Ca 0.01 -0.67 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 1zaa s PHE 16 Cb -0.05 -0.65 -0.19 0.00 -0.57 0.00 0.00 43.02 41.55 1zaa s PHE 16 CO -0.00 0.09 1.23 0.77 -0.10 0.00 0.00 175.22 177.21 1zaa h SER 17 N 3.16 0.83 -2.23 1.36 0.02 -1.89 -1.30 113.55 113.51 1zaa h SER 17 Ca -0.38 -0.65 -0.61 0.00 -0.84 0.00 0.00 61.79 59.32 1zaa h SER 17 Cb 1.19 -0.25 -0.14 0.00 0.14 0.00 0.00 62.40 63.34 1zaa h SER 17 CO 0.57 1.45 -0.76 -0.13 -1.14 0.00 0.00 176.83 176.83 1zaa s ARG 18 N -3.35 1.68 0.24 3.45 0.52 -1.26 -4.69 118.95 115.54 1zaa s ARG 18 Ca -0.09 -1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 53.31 1zaa s ARG 18 Cb 0.08 -1.75 0.27 0.00 0.52 0.00 0.00 34.95 34.07 1zaa s ARG 18 CO 0.91 0.32 1.75 0.66 0.02 0.00 0.00 175.30 178.95 1zaa h SER 19 N 2.27 0.86 0.54 0.23 4.64 -2.00 -2.91 113.55 117.17 1zaa h SER 19 Ca -0.40 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 60.69 1zaa h SER 19 Cb 1.26 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1zaa h SER 19 CO 0.61 0.89 -0.14 -2.24 -0.87 0.00 0.00 176.83 175.08 1zaa h ASP 20 N 0.84 0.00 0.20 4.97 2.03 -1.99 -1.66 116.42 120.81 1zaa h ASP 20 Ca 0.17 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.31 1zaa h ASP 20 Cb 0.43 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.92 1zaa h ASP 20 CO 0.01 0.14 -0.62 -0.33 -1.03 0.00 0.00 179.24 177.41 1zaa h GLU 21 N 0.00 0.41 -0.15 4.15 5.08 -1.93 -2.17 114.58 119.98 1zaa h GLU 21 Ca -0.00 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1zaa h GLU 21 Cb 0.44 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1zaa h GLU 21 CO 0.02 0.90 -0.13 1.25 -1.00 0.00 0.00 179.01 180.05 1zaa h LEU 22 N 0.30 0.37 -0.64 1.33 6.46 -1.44 -0.62 115.31 121.07 1zaa h LEU 22 Ca -0.01 -0.47 0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1zaa h LEU 22 Cb 1.16 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.95 1zaa h LEU 22 CO 0.11 0.76 0.41 0.74 -0.62 0.00 0.00 178.44 179.84 1zaa h THR 23 N -0.02 1.13 0.01 1.05 2.02 -1.31 0.53 112.91 116.33 1zaa h THR 23 Ca 0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1zaa h THR 23 Cb 0.65 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1zaa h THR 23 CO 0.03 0.15 -0.01 -0.09 0.37 0.00 0.00 175.52 175.98 1zaa h ARG 24 N 0.84 -0.02 -0.91 6.66 2.43 -1.35 -2.90 114.38 119.12 1zaa h ARG 24 Ca 0.24 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.54 1zaa h ARG 24 Cb -0.06 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 1zaa h ARG 24 CO -0.07 0.10 0.59 1.25 -1.51 0.00 0.00 179.97 180.33 1zaa h HIS 25 N -0.14 0.94 -0.97 2.20 2.76 -0.53 -2.65 115.15 116.76 1zaa h HIS 25 Ca -0.00 0.03 0.28 0.00 -2.20 0.00 0.00 60.37 58.47 1zaa h HIS 25 Cb 0.13 -0.30 -0.14 0.00 1.55 0.00 0.00 27.41 28.65 1zaa h HIS 25 CO -0.04 0.39 0.50 0.82 -1.30 0.00 0.00 177.93 178.30 1zaa h ILE 26 N 0.83 0.38 -1.14 6.26 1.08 -0.69 -1.41 117.51 122.81 1zaa h ILE 26 Ca 0.44 -0.13 0.33 0.00 -0.39 0.00 0.00 64.86 65.12 1zaa h ILE 26 Cb 0.55 -0.03 -0.11 0.00 -3.07 0.00 0.00 36.82 34.16 1zaa h ILE 26 CO -0.21 0.07 0.73 0.03 -0.69 0.00 0.00 178.15 178.09 1zaa h ARG 27 N 0.37 0.26 0.00 2.37 3.08 -1.57 1.30 114.38 120.20 1zaa h ARG 27 Ca 0.67 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.63 1zaa h ARG 27 Cb 1.41 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1zaa h ARG 27 CO -0.58 0.17 -0.33 -0.84 -1.07 0.00 0.00 179.97 177.33 1zaa h ILE 28 N 0.27 1.14 0.14 2.04 3.07 -1.45 0.96 117.51 123.68 1zaa h ILE 28 Ca 0.68 -1.17 -0.21 0.00 1.55 0.00 0.00 64.86 65.71 1zaa h ILE 28 Cb 1.91 1.65 0.02 0.00 -0.27 0.00 0.00 36.82 40.12 1zaa h ILE 28 CO -0.34 0.32 -0.96 0.45 -1.05 0.00 0.00 178.15 176.57 1zaa h HIS 29 N 0.00 0.54 0.00 0.16 3.86 0.14 -3.36 115.15 116.49 1zaa h HIS 29 Ca -0.00 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1zaa h HIS 29 Cb 0.62 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1zaa h HIS 29 CO 0.00 1.37 -0.10 1.79 0.86 0.00 0.00 177.93 181.85 1zaa h THR 30 N -0.35 0.00 0.00 2.45 1.35 -0.82 -3.48 112.91 112.07 1zaa h THR 30 Ca -0.18 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1zaa h THR 30 Cb 1.68 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1zaa h THR 30 CO 0.14 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1zaa n GLY 31 N 1.21 0.65 3.66 5.82 0.00 0.32 -4.99 105.19 111.86 1zaa n GLY 31 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1zaa n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1zaa s GLN 32 N -0.15 4.13 -0.59 1.61 2.00 -1.23 -4.94 119.66 120.49 1zaa s GLN 32 Ca 0.00 2.24 0.05 0.00 -2.00 0.00 0.00 55.36 55.65 1zaa s GLN 32 Cb 0.00 -4.03 0.20 0.00 0.80 0.00 0.00 33.01 29.97 1zaa s GLN 32 CO 0.00 -0.92 0.52 1.63 -0.50 0.00 0.00 175.29 176.02 1zaa n LYS 33 N 7.28 1.47 0.00 1.67 5.02 -1.26 -4.57 118.16 127.77 1zaa n LYS 33 Ca 0.18 -4.08 0.00 0.00 -2.02 0.00 0.00 58.31 52.39 1zaa n LYS 33 Cb 0.43 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1zaa n LYS 33 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1zaa n PRO 34 N 1.86 0.00 -4.21 1.97 -0.05 -1.11 -4.02 135.00 129.44 1zaa n PRO 34 Ca 0.25 0.40 -0.34 0.00 -0.05 0.00 0.00 63.50 63.76 1zaa n PRO 34 Cb 0.41 -1.50 -0.15 0.00 -0.05 0.00 0.00 33.50 32.21 1zaa n PRO 34 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1zaa s PHE 35 N -2.80 2.84 -0.06 0.54 0.40 -0.22 -4.97 117.98 113.73 1zaa s PHE 35 Ca 0.00 -1.16 -0.02 0.00 -0.60 0.00 0.00 56.93 55.15 1zaa s PHE 35 Cb 0.00 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 1zaa s PHE 35 CO 0.00 -0.58 0.06 -1.14 0.70 0.00 0.00 175.22 174.25 1zaa s GLN 36 N 1.15 3.08 -0.08 0.44 0.74 -1.26 0.37 119.66 124.11 1zaa s GLN 36 Ca 0.01 -0.40 -0.28 0.00 0.05 0.00 0.00 55.36 54.74 1zaa s GLN 36 Cb -0.14 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.06 1zaa s GLN 36 CO -0.05 0.69 0.93 0.00 -0.55 0.00 0.00 175.29 176.31 1zaa h ARG 38 N 7.01 0.00 0.07 0.00 2.43 -1.94 0.25 114.38 122.21 1zaa h ARG 38 Ca -0.35 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.54 1zaa h ARG 38 Cb 1.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1zaa h ARG 38 CO 0.81 0.07 -1.54 0.82 -1.51 0.00 0.00 179.97 178.62 1zaa h ILE 39 N 0.00 0.85 -0.01 1.20 2.04 -1.96 -3.41 117.51 116.22 1zaa h ILE 39 Ca -0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1zaa h ILE 39 Cb 0.16 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1zaa h ILE 39 CO 0.01 0.61 -0.04 0.00 0.00 0.00 0.00 178.15 178.73 1zaa n MET 41 N 0.29 0.00 -1.74 0.00 2.81 0.88 -4.96 117.12 114.40 1zaa n MET 41 Ca 0.05 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.55 1zaa n MET 41 Cb 0.21 -3.19 0.05 0.00 -0.71 0.00 0.00 33.22 29.57 1zaa n MET 41 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1zaa n ARG 42 N -2.00 1.66 -3.89 0.03 0.63 -1.26 -4.31 116.66 107.52 1zaa n ARG 42 Ca 0.00 0.61 -0.33 0.00 -0.92 0.00 0.00 57.85 57.21 1zaa n ARG 42 Cb 0.00 -2.58 -0.05 0.00 0.45 0.00 0.00 32.46 30.29 1zaa n ARG 42 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1zaa s ASN 43 N -0.94 6.38 0.01 6.15 0.01 -1.26 0.13 114.94 125.42 1zaa s ASN 43 Ca 0.72 0.36 0.00 0.00 -0.71 0.00 0.00 52.86 53.24 1zaa s ASN 43 Cb -0.41 -2.01 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 1zaa s ASN 43 CO 0.49 0.26 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.96 1zaa s PHE 44 N -1.33 0.14 0.33 2.20 0.08 0.16 -4.97 117.98 114.60 1zaa s PHE 44 Ca 0.27 -0.25 0.10 0.00 0.12 0.00 0.00 56.93 57.18 1zaa s PHE 44 Cb -0.13 -0.10 0.58 0.00 -0.57 0.00 0.00 43.02 42.80 1zaa s PHE 44 CO 0.19 -0.09 1.76 0.66 -0.10 0.00 0.00 175.22 177.64 1zaa h SER 45 N 5.45 0.11 -3.38 1.36 4.64 -1.84 -0.51 113.55 119.38 1zaa h SER 45 Ca -0.28 -0.04 -0.44 0.00 -0.47 0.00 0.00 61.79 60.55 1zaa h SER 45 Cb 1.21 -0.03 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1zaa h SER 45 CO 0.46 0.50 -0.74 -0.13 -0.87 0.00 0.00 176.83 176.06 1zaa s ARG 46 N -4.14 1.27 0.05 4.77 0.52 -1.26 -4.58 118.95 115.58 1zaa s ARG 46 Ca -0.03 -1.53 -0.17 0.00 -0.52 0.00 0.00 55.73 53.48 1zaa s ARG 46 Cb 0.14 -1.08 -0.18 0.00 0.52 0.00 0.00 34.95 34.34 1zaa s ARG 46 CO 0.75 0.19 1.23 0.66 0.02 0.00 0.00 175.30 178.14 1zaa h SER 47 N 2.74 0.68 -0.17 0.23 4.64 -1.99 -2.79 113.55 116.89 1zaa h SER 47 Ca -0.39 -0.65 -0.14 0.00 -0.47 0.00 0.00 61.79 60.14 1zaa h SER 47 Cb 1.21 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1zaa h SER 47 CO 0.60 1.23 -0.37 -2.24 -0.87 0.00 0.00 176.83 175.18 1zaa h ASP 48 N 0.18 0.73 0.15 4.97 2.03 -2.00 -2.58 116.42 119.90 1zaa h ASP 48 Ca -0.04 -0.32 -0.07 0.00 -0.73 0.00 0.00 57.03 55.87 1zaa h ASP 48 Cb 1.23 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.51 1zaa h ASP 48 CO 0.12 1.02 -0.26 0.45 -1.03 0.00 0.00 179.24 179.54 1zaa h HIS 49 N 0.57 0.22 -0.12 4.15 3.86 -1.98 -2.82 115.15 119.02 1zaa h HIS 49 Ca 0.05 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1zaa h HIS 49 Cb 0.89 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 1zaa h HIS 49 CO 0.04 0.45 -0.03 1.25 0.86 0.00 0.00 177.93 180.50 1zaa h LEU 50 N 0.18 0.24 -1.60 2.43 6.46 -1.31 -1.84 115.31 119.87 1zaa h LEU 50 Ca 0.03 -0.37 0.04 0.00 -0.12 0.00 0.00 57.88 57.46 1zaa h LEU 50 Cb 0.57 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1zaa h LEU 50 CO 0.04 0.55 0.32 0.74 -0.62 0.00 0.00 178.44 179.48 1zaa h THR 51 N -0.07 1.03 0.18 1.05 2.02 -1.23 -1.38 112.91 114.51 1zaa h THR 51 Ca 0.03 -0.18 -0.26 0.00 0.77 0.00 0.00 66.41 66.77 1zaa h THR 51 Cb 0.45 0.47 0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1zaa h THR 51 CO 0.01 0.09 -1.12 0.74 0.37 0.00 0.00 175.52 175.61 1zaa h THR 52 N 0.52 1.39 -0.51 3.16 2.02 -1.51 -3.32 112.91 114.66 1zaa h THR 52 Ca 0.20 -2.58 -0.03 0.00 0.77 0.00 0.00 66.41 64.77 1zaa h THR 52 Cb 0.15 3.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 1zaa h THR 52 CO -0.05 0.75 0.19 -0.74 0.37 0.00 0.00 175.52 176.05 1zaa h HIS 53 N -0.08 0.74 -0.21 3.16 -0.00 -0.78 -2.32 115.15 115.66 1zaa h HIS 53 Ca -0.19 -0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.18 1zaa h HIS 53 Cb 1.88 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 29.05 1zaa h HIS 53 CO 0.16 0.59 0.15 0.82 -0.00 0.00 0.00 177.93 179.64 1zaa h ILE 54 N 0.73 0.96 -0.05 6.26 2.04 -1.36 -1.00 117.51 125.09 1zaa h ILE 54 Ca 0.18 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.01 1zaa h ILE 54 Cb 0.16 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1zaa h ILE 54 CO -0.02 0.02 0.08 0.03 0.00 0.00 0.00 178.15 178.27 1zaa h ARG 55 N 0.13 0.00 0.00 2.37 3.08 -1.52 0.36 114.38 118.80 1zaa h ARG 55 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1zaa h ARG 55 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1zaa h ARG 55 CO -0.01 0.00 -0.41 1.79 -1.07 0.00 0.00 179.97 180.27 1zaa h THR 56 N 0.00 0.96 0.04 2.04 1.35 -1.29 0.26 112.91 116.27 1zaa h THR 56 Ca 0.02 -1.62 -0.13 0.00 -0.55 0.00 0.00 66.41 64.13 1zaa h THR 56 Cb 0.19 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1zaa h THR 56 CO -0.00 0.40 -0.67 0.45 -0.25 0.00 0.00 175.52 175.46 1zaa h HIS 57 N 0.00 0.15 0.00 4.73 3.86 -0.41 -3.37 115.15 120.10 1zaa h HIS 57 Ca -0.00 -0.11 -0.14 0.00 -1.16 0.00 0.00 60.37 58.95 1zaa h HIS 57 Cb 0.94 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 1zaa h HIS 57 CO 0.00 1.26 -0.67 1.79 0.86 0.00 0.00 177.93 181.17 1zaa h THR 58 N -0.79 1.22 0.00 2.45 1.35 -1.40 -3.48 112.91 112.25 1zaa h THR 58 Ca -0.16 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1zaa h THR 58 Cb 1.30 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 1zaa h THR 58 CO -0.02 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1zaa n GLY 59 N 1.04 0.40 3.73 5.82 0.00 0.91 -5.02 105.19 112.07 1zaa n GLY 59 Ca 0.01 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1zaa n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1zaa s GLU 60 N -1.72 4.61 -0.38 1.61 2.12 -1.20 -5.00 118.70 118.74 1zaa s GLU 60 Ca 0.00 1.56 0.01 0.00 0.36 0.00 0.00 54.97 56.90 1zaa s GLU 60 Cb 0.00 -3.36 0.13 0.00 0.26 0.00 0.00 34.13 31.16 1zaa s GLU 60 CO 0.00 0.06 0.20 0.15 -0.54 0.00 0.00 175.26 175.13 1zaa s LYS 61 N 0.24 0.89 0.17 4.30 1.02 -1.26 -4.53 119.74 120.56 1zaa s LYS 61 Ca 0.50 -1.55 0.23 0.00 0.02 0.00 0.00 55.97 55.17 1zaa s LYS 61 Cb -0.25 -1.86 0.90 0.00 -0.52 0.00 0.00 37.83 36.09 1zaa s LYS 61 CO 0.31 -1.15 1.70 -0.35 -0.92 0.00 0.00 175.35 174.94 1zaa n PRO 62 N 4.00 0.15 -3.94 -1.68 -0.05 -1.17 -4.54 135.00 127.77 1zaa n PRO 62 Ca 0.07 0.30 -0.35 0.00 -0.05 0.00 0.00 63.50 63.48 1zaa n PRO 62 Cb 0.37 -1.75 -0.14 0.00 -0.05 0.00 0.00 33.50 31.92 1zaa n PRO 62 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1zaa s PHE 63 N -3.18 3.06 0.02 0.54 0.08 -1.00 -4.98 117.98 112.52 1zaa s PHE 63 Ca 0.07 -1.45 0.02 0.00 0.12 0.00 0.00 56.93 55.69 1zaa s PHE 63 Cb 0.11 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1zaa s PHE 63 CO 0.43 -0.70 0.02 0.00 -0.10 0.00 0.00 175.22 174.86 1zaa s ALA 64 N 1.35 3.34 0.28 5.36 0.00 -1.26 -0.47 121.76 130.36 1zaa s ALA 64 Ca 0.01 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 1zaa s ALA 64 Cb -0.16 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 1zaa s ALA 64 CO -0.04 0.67 1.19 0.00 0.00 0.00 0.00 175.76 177.58 1zaa h ASP 66 N 3.99 0.05 0.11 0.00 3.32 -1.96 0.51 116.42 122.43 1zaa h ASP 66 Ca -0.47 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.31 1zaa h ASP 66 Cb 1.22 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1zaa h ASP 66 CO 0.68 0.54 -1.24 0.40 -1.72 0.00 0.00 179.24 177.90 1zaa h ILE 67 N 0.03 1.15 0.00 0.35 1.08 -1.98 -3.41 117.51 114.73 1zaa h ILE 67 Ca -0.00 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 1zaa h ILE 67 Cb 0.90 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.46 1zaa h ILE 67 CO 0.07 0.68 0.00 0.00 -0.69 0.00 0.00 178.15 178.21 1zaa n GLY 69 N 0.07 0.34 3.76 0.00 0.00 0.18 -4.93 105.19 104.61 1zaa n GLY 69 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1zaa n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1zaa s ARG 70 N -0.74 4.38 0.06 1.61 3.52 -1.26 -4.46 118.95 122.05 1zaa s ARG 70 Ca 0.00 2.16 -0.05 0.00 -0.13 0.00 0.00 55.73 57.71 1zaa s ARG 70 Cb 0.00 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 1zaa s ARG 70 CO 0.00 -0.20 0.29 0.15 -0.81 0.00 0.00 175.30 174.74 1zaa s LYS 71 N -1.22 3.58 0.04 5.12 1.02 -1.26 -0.05 119.74 126.96 1zaa s LYS 71 Ca 0.52 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.39 1zaa s LYS 71 Cb -0.39 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1zaa s LYS 71 CO 0.48 0.59 -0.05 -0.06 -0.92 0.00 0.00 175.35 175.39 1zaa s PHE 72 N -1.43 0.46 -0.06 3.18 0.08 0.38 -4.98 117.98 115.61 1zaa s PHE 72 Ca 0.33 -0.64 0.16 0.00 0.12 0.00 0.00 56.93 56.90 1zaa s PHE 72 Cb -0.13 -0.31 0.26 0.00 -0.57 0.00 0.00 43.02 42.28 1zaa s PHE 72 CO 0.20 -0.19 1.53 0.00 -0.10 0.00 0.00 175.22 176.67 1zaa h ALA 73 N 4.24 0.76 -3.53 5.36 0.00 -1.86 -2.63 119.26 121.60 1zaa h ALA 73 Ca -0.34 -0.42 -0.43 0.00 0.00 0.00 0.00 54.91 53.72 1zaa h ALA 73 Cb 1.19 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 1zaa h ALA 73 CO 0.47 0.58 -0.79 1.03 0.00 0.00 0.00 179.25 180.54 1zaa s ARG 74 N -3.15 0.87 0.38 0.00 0.52 -1.26 -4.54 118.95 111.78 1zaa s ARG 74 Ca 0.03 -0.91 0.08 0.00 -0.52 0.00 0.00 55.73 54.41 1zaa s ARG 74 Cb 0.08 -0.90 0.75 0.00 0.52 0.00 0.00 34.95 35.40 1zaa s ARG 74 CO 0.72 0.21 1.91 0.66 0.02 0.00 0.00 175.30 178.83 1zaa h SER 75 N 4.47 0.30 0.60 0.23 4.64 -1.95 -1.69 113.55 120.15 1zaa h SER 75 Ca -0.40 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1zaa h SER 75 Cb 1.19 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1zaa h SER 75 CO 0.41 0.42 -0.19 -2.24 -0.87 0.00 0.00 176.83 174.36 1zaa h ASP 76 N 0.30 0.00 0.23 4.97 2.03 -1.98 0.22 116.42 122.19 1zaa h ASP 76 Ca 0.06 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.12 1zaa h ASP 76 Cb 0.34 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1zaa h ASP 76 CO 0.02 0.19 -1.01 -0.33 -1.03 0.00 0.00 179.24 177.08 1zaa h GLU 77 N 0.00 0.52 -0.21 4.15 5.08 -1.75 -2.04 114.58 120.32 1zaa h GLU 77 Ca -0.00 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1zaa h GLU 77 Cb 0.55 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1zaa h GLU 77 CO 0.03 1.20 0.02 -0.09 -1.00 0.00 0.00 179.01 179.17 1zaa h ARG 78 N 0.28 0.37 -0.23 2.33 2.43 -0.55 -2.57 114.38 116.43 1zaa h ARG 78 Ca -0.11 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1zaa h ARG 78 Cb 1.66 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.14 1zaa h ARG 78 CO 0.18 0.54 0.03 -0.22 -1.51 0.00 0.00 179.97 178.99 1zaa h LYS 79 N 0.15 0.10 -1.00 0.20 3.64 -0.64 -0.74 116.57 118.29 1zaa h LYS 79 Ca 0.06 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 1zaa h LYS 79 Cb 0.36 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 1zaa h LYS 79 CO 0.01 0.07 0.63 -0.09 -2.27 0.00 0.00 179.45 177.80 1zaa h ARG 80 N 0.11 0.98 -0.03 1.90 2.43 -1.30 -3.15 114.38 115.31 1zaa h ARG 80 Ca 0.11 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 1zaa h ARG 80 Cb 0.12 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1zaa h ARG 80 CO -0.16 0.65 -0.49 1.25 -1.51 0.00 0.00 179.97 179.70 1zaa h HIS 81 N 1.01 0.56 -0.98 2.20 2.76 -0.95 -3.35 115.15 116.40 1zaa h HIS 81 Ca 0.49 -0.28 0.25 0.00 -2.20 0.00 0.00 60.37 58.62 1zaa h HIS 81 Cb 0.45 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.27 1zaa h HIS 81 CO -0.00 1.07 0.65 1.15 -1.30 0.00 0.00 177.93 179.50 1zaa h THR 82 N -0.11 0.58 -0.91 6.26 2.02 -1.12 -0.23 112.91 119.41 1zaa h THR 82 Ca -0.05 -0.11 0.14 0.00 0.77 0.00 0.00 66.41 67.16 1zaa h THR 82 Cb 1.18 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 1zaa h THR 82 CO 0.10 0.06 0.58 0.50 0.37 0.00 0.00 175.52 177.13 1zaa h LYS 83 N 0.33 0.70 0.00 6.66 3.64 -1.69 -1.47 116.57 124.75 1zaa h LYS 83 Ca 0.53 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1zaa h LYS 83 Cb 1.45 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1zaa h LYS 83 CO -0.20 0.46 0.00 0.44 -2.27 0.00 0.00 179.45 177.89 1zaa n ILE 84 N -4.58 1.13 1.72 2.00 -6.64 -0.10 -1.53 119.36 111.37 1zaa n ILE 84 Ca 0.18 0.60 0.11 0.00 -1.77 0.00 0.00 62.75 61.87 1zaa n ILE 84 Cb 0.47 -1.58 0.53 0.00 -1.44 0.00 0.00 39.64 37.61 1zaa n ILE 84 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1zaa n HIS 85 N -2.13 0.07 -0.02 4.28 8.25 -0.55 -1.94 115.22 123.18 1zaa n HIS 85 Ca -0.00 -0.03 -0.12 0.00 -0.26 0.00 0.00 57.72 57.30 1zaa n HIS 85 Cb 0.07 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.04 1zaa n HIS 85 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1zaa n LEU 86 N -0.38 1.34 0.00 2.41 4.32 -0.58 -5.19 117.00 118.92 1zaa n LEU 86 Ca 0.16 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 1zaa n LEU 86 Cb 0.17 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1zaa n LEU 86 CO 0.12 0.52 0.00 -1.14 -1.22 0.00 0.00 177.39 175.67