#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g91 n ASP 2 N 0.00 -1.52 -4.72 6.12 -0.08 -1.26 -5.12 116.55 109.98 1g91 n ASP 2 Ca 0.00 -2.61 -0.43 0.00 -1.51 0.00 0.00 54.79 50.25 1g91 n ASP 2 Cb 0.00 0.29 -0.02 0.00 2.34 0.00 0.00 41.12 43.73 1g91 n ASP 2 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1g91 n ARG 3 N 2.73 2.42 -3.37 -0.67 3.00 -1.26 -4.95 116.66 114.56 1g91 n ARG 3 Ca 0.25 0.86 -0.38 0.00 -0.01 0.00 0.00 57.85 58.57 1g91 n ARG 3 Cb 0.52 -2.57 -0.06 0.00 0.00 0.00 0.00 32.46 30.34 1g91 n ARG 3 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1g91 s PHE 4 N -0.28 3.48 -0.03 -1.55 0.08 -1.26 -5.06 117.98 113.36 1g91 s PHE 4 Ca 0.63 0.80 -0.06 0.00 0.12 0.00 0.00 56.93 58.42 1g91 s PHE 4 Cb -0.55 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 39.40 1g91 s PHE 4 CO 0.52 0.16 0.14 -1.58 -0.10 0.00 0.00 175.22 174.36 1g91 s HIS 5 N 0.69 -0.07 0.00 0.36 2.46 -1.26 -5.05 115.29 112.41 1g91 s HIS 5 Ca 0.23 0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.93 1g91 s HIS 5 Cb -0.15 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.31 1g91 s HIS 5 CO 0.09 -0.16 0.00 0.00 -2.47 0.00 0.00 174.74 172.19 1g91 n ALA 6 N 2.36 2.07 -2.59 1.58 0.00 -1.26 -5.09 120.51 117.58 1g91 n ALA 6 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 1g91 n ALA 6 Cb 0.57 0.45 -0.09 0.00 0.00 0.00 0.00 19.45 20.38 1g91 n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g91 s THR 7 N -1.90 1.19 -0.90 0.00 -4.23 -1.26 -5.03 115.64 103.51 1g91 s THR 7 Ca 0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1g91 s THR 7 Cb 0.00 -2.54 0.13 0.00 1.34 0.00 0.00 72.50 71.43 1g91 s THR 7 CO 0.00 0.00 2.47 -1.20 -0.54 0.00 0.00 174.62 175.35 1g91 n SER 8 N -1.07 7.29 -4.86 3.99 7.64 -1.26 -4.96 113.62 120.39 1g91 n SER 8 Ca -0.08 -3.27 -0.35 0.00 1.01 0.00 0.00 58.87 56.18 1g91 n SER 8 Cb 0.66 -1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g91 s ALA 9 N -1.90 3.68 -0.15 -0.43 0.00 -1.26 -4.99 121.76 116.70 1g91 s ALA 9 Ca 0.55 -0.32 0.19 0.00 0.00 0.00 0.00 51.96 52.38 1g91 s ALA 9 Cb 0.29 -2.34 0.45 0.00 0.00 0.00 0.00 23.12 21.52 1g91 s ALA 9 CO -0.18 0.54 1.17 -3.47 0.00 0.00 0.00 175.76 173.82 1g91 n ASP 10 N 0.80 1.88 -4.76 0.00 2.03 -1.26 -5.06 116.55 110.18 1g91 n ASP 10 Ca -0.07 -2.71 -0.36 0.00 0.52 0.00 0.00 54.79 52.17 1g91 n ASP 10 Cb 0.52 -0.40 -0.08 0.00 -0.72 0.00 0.00 41.12 40.44 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g91 h ILE 13 N 5.69 0.27 -3.50 0.00 6.09 -1.97 -3.47 117.51 120.62 1g91 h ILE 13 Ca -0.23 -1.53 -0.18 0.00 -1.37 0.00 0.00 64.86 61.55 1g91 h ILE 13 Cb 1.08 1.79 -0.24 0.00 0.47 0.00 0.00 36.82 39.92 1g91 h ILE 13 CO 0.95 0.15 -0.56 -0.44 -3.07 0.00 0.00 178.15 175.19 1g91 s SER 14 N -5.61 -0.05 0.54 2.19 0.01 -1.26 -5.17 113.70 104.35 1g91 s SER 14 Ca -0.02 0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.37 1g91 s SER 14 Cb 0.09 0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.60 1g91 s SER 14 CO 0.80 -0.16 0.63 -0.31 0.41 0.00 0.00 173.24 174.61 1g91 s TYR 15 N -0.50 1.73 -0.01 2.43 2.02 -1.26 -4.75 117.35 117.00 1g91 s TYR 15 Ca -0.06 -0.70 -0.30 0.00 -0.37 0.00 0.00 57.07 55.64 1g91 s TYR 15 Cb -0.04 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1g91 s TYR 15 CO 0.00 -0.81 1.08 -0.08 -1.57 0.00 0.00 175.55 174.17 1g91 s THR 16 N -2.64 4.54 -1.12 -0.71 -1.32 -1.01 -4.92 115.64 108.45 1g91 s THR 16 Ca 0.53 1.83 -0.08 0.00 -1.21 0.00 0.00 61.69 62.75 1g91 s THR 16 Cb -0.05 -4.17 -0.13 0.00 -1.51 0.00 0.00 72.50 66.64 1g91 s THR 16 CO 0.33 0.09 3.00 -0.81 -2.21 0.00 0.00 174.62 175.03 1g91 n PRO 17 N 4.31 3.06 -3.65 7.08 -0.04 -1.26 -4.81 135.00 139.69 1g91 n PRO 17 Ca 0.08 -1.79 -0.15 0.00 -0.04 0.00 0.00 63.50 61.60 1g91 n PRO 17 Cb 0.49 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.33 1g91 n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g91 s ARG 18 N 2.02 0.79 -0.13 0.54 0.52 -1.26 -5.13 118.95 116.30 1g91 s ARG 18 Ca 0.65 0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 56.04 1g91 s ARG 18 Cb 0.20 0.37 -0.01 0.00 0.52 0.00 0.00 34.95 36.04 1g91 s ARG 18 CO -0.04 -0.17 1.09 0.45 0.02 0.00 0.00 175.30 176.64 1g91 s SER 19 N -0.42 7.14 -0.13 0.23 0.15 -1.26 -5.02 113.70 114.39 1g91 s SER 19 Ca -0.06 1.58 -0.03 0.00 0.70 0.00 0.00 55.95 58.14 1g91 s SER 19 Cb -0.03 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1g91 s SER 19 CO 0.04 -0.56 -0.03 -0.63 1.20 0.00 0.00 173.24 173.25 1g91 s ILE 20 N 2.50 3.95 0.30 6.45 -1.09 -1.26 -5.09 121.20 126.96 1g91 s ILE 20 Ca 0.50 -0.35 -0.28 0.00 -2.23 0.00 0.00 60.65 58.29 1g91 s ILE 20 Cb -0.19 -2.70 -0.09 0.00 -1.58 0.00 0.00 42.46 37.89 1g91 s ILE 20 CO 0.16 0.53 0.98 -2.16 -1.23 0.00 0.00 174.94 173.21 1g91 s PRO 21 N -0.03 4.63 0.09 2.79 0.04 -1.26 -4.93 135.00 136.33 1g91 s PRO 21 Ca 0.01 1.48 0.18 0.00 0.04 0.00 0.00 61.00 62.71 1g91 s PRO 21 Cb -0.13 -2.99 0.75 0.00 0.04 0.00 0.00 34.50 32.17 1g91 s PRO 21 CO 0.03 0.30 1.55 0.00 0.04 0.00 0.00 177.00 178.91 1g91 h SER 23 N 0.00 0.00 -0.69 0.00 0.02 -2.00 -3.13 113.55 107.74 1g91 h SER 23 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1g91 h SER 23 Cb 0.29 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.74 1g91 h SER 23 CO 0.00 0.01 0.19 0.18 -1.14 0.00 0.00 176.83 176.07 1g91 n LEU 24 N -3.10 6.00 -4.19 5.07 4.77 -0.84 -4.91 117.00 119.80 1g91 n LEU 24 Ca 0.04 -3.15 -0.26 0.00 -0.03 0.00 0.00 56.01 52.61 1g91 n LEU 24 Cb 0.53 -0.73 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 1g91 n LEU 24 CO 0.34 0.76 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.89 1g91 s LEU 25 N -2.94 2.04 -0.12 2.23 1.43 -1.19 -3.99 118.68 116.14 1g91 s LEU 25 Ca 0.55 -0.35 0.18 0.00 -1.03 0.00 0.00 54.13 53.49 1g91 s LEU 25 Cb 0.44 -0.97 -0.25 0.00 0.03 0.00 0.00 46.19 45.43 1g91 s LEU 25 CO 0.14 0.23 0.30 -1.84 0.23 0.00 0.00 176.35 175.41 1g91 n GLU 26 N 2.60 0.67 -3.66 1.70 0.28 -0.52 -4.89 120.64 116.82 1g91 n GLU 26 Ca -0.15 -0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.82 1g91 n GLU 26 Cb 0.53 -1.57 0.02 0.00 1.43 0.00 0.00 31.44 31.85 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1g91 n SER 27 N -2.68 -1.58 -3.59 -1.84 3.41 -1.23 -5.05 113.62 101.06 1g91 n SER 27 Ca -0.22 -1.82 -0.05 0.00 -0.26 0.00 0.00 58.87 56.51 1g91 n SER 27 Cb 0.98 2.56 -0.02 0.00 -0.26 0.00 0.00 64.21 67.48 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1g91 s TYR 28 N -2.45 -0.21 0.17 7.33 1.13 -1.26 -1.85 117.35 120.21 1g91 s TYR 28 Ca 0.21 0.06 -0.06 0.00 -1.41 0.00 0.00 57.07 55.87 1g91 s TYR 28 Cb -0.03 0.56 0.02 0.00 -1.10 0.00 0.00 41.96 41.41 1g91 s TYR 28 CO 0.05 -0.50 0.33 1.97 -2.51 0.00 0.00 175.55 174.89 1g91 n PHE 29 N -0.29 -1.51 -3.28 -3.49 -1.74 -0.45 -4.96 117.46 101.74 1g91 n PHE 29 Ca -0.06 -0.87 -0.19 0.00 -0.56 0.00 0.00 57.45 55.77 1g91 n PHE 29 Cb 0.61 0.39 0.00 0.00 1.52 0.00 0.00 39.48 42.00 1g91 n PHE 29 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1g91 s GLU 30 N -2.09 2.61 0.23 3.97 2.02 -1.26 0.31 118.70 124.48 1g91 s GLU 30 Ca 0.08 -1.46 -0.00 0.00 0.02 0.00 0.00 54.97 53.61 1g91 s GLU 30 Cb -0.02 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.70 1g91 s GLU 30 CO 0.06 -0.35 0.31 0.25 0.02 0.00 0.00 175.26 175.55 1g91 n THR 31 N -1.79 0.00 -1.67 3.63 -2.24 -0.78 -4.72 114.28 106.71 1g91 n THR 31 Ca 0.07 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.94 1g91 n THR 31 Cb 0.61 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 1g91 n THR 31 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1g91 n ASN 32 N -2.98 4.09 0.16 3.42 3.02 -1.26 -4.82 115.26 116.89 1g91 n ASN 32 Ca 0.05 0.93 0.13 0.00 -0.03 0.00 0.00 54.58 55.66 1g91 n ASN 32 Cb 0.18 -1.52 0.53 0.00 -0.61 0.00 0.00 39.78 38.36 1g91 n ASN 32 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g91 h SER 33 N 9.97 0.00 0.33 6.41 0.02 -1.98 -2.58 113.55 125.72 1g91 h SER 33 Ca -0.49 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 1g91 h SER 33 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1g91 h SER 33 CO 0.94 0.00 -0.20 -0.33 -1.14 0.00 0.00 176.83 176.11 1g91 h GLU 34 N 0.00 0.00 -7.06 3.45 4.39 -1.99 -3.43 114.58 109.94 1g91 h GLU 34 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1g91 h GLU 34 Cb 0.37 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1g91 h GLU 34 CO 0.00 0.20 0.41 0.00 -1.16 0.00 0.00 179.01 178.45 1g91 h SER 36 N 1.62 -0.17 -3.58 0.00 0.87 -1.89 -3.39 113.55 107.01 1g91 h SER 36 Ca -0.49 -0.22 -0.63 0.00 -1.23 0.00 0.00 61.79 59.22 1g91 h SER 36 Cb 1.23 0.04 -0.13 0.00 -0.44 0.00 0.00 62.40 63.10 1g91 h SER 36 CO 0.59 0.13 0.24 -0.54 -0.53 0.00 0.00 176.83 176.72 1g91 s LYS 37 N -5.01 3.55 0.48 2.24 3.01 -1.26 -5.04 119.74 117.70 1g91 s LYS 37 Ca -0.15 -0.01 -0.08 0.00 -1.01 0.00 0.00 55.97 54.72 1g91 s LYS 37 Cb 0.03 -3.87 0.11 0.00 -1.01 0.00 0.00 37.83 33.09 1g91 s LYS 37 CO 0.62 -0.91 0.59 -0.35 0.51 0.00 0.00 175.35 175.81 1g91 n PRO 38 N 6.33 -0.91 -3.67 -1.68 -0.04 -1.26 -4.84 135.00 128.94 1g91 n PRO 38 Ca 0.00 -0.92 0.03 0.00 -0.04 0.00 0.00 63.50 62.58 1g91 n PRO 38 Cb 0.48 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1g91 n PRO 38 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1g91 s GLY 39 N -4.14 -0.41 -0.05 0.55 0.00 -1.26 -4.92 107.32 97.08 1g91 s GLY 39 Ca 0.34 0.72 0.05 0.00 0.00 0.00 0.00 44.72 45.83 1g91 s GLY 39 CO 0.25 1.46 -0.20 0.14 0.00 0.00 0.00 173.10 174.75 1g91 s VAL 40 N -2.12 1.67 -0.21 1.40 1.01 -1.03 -1.87 120.40 119.24 1g91 s VAL 40 Ca 0.18 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1g91 s VAL 40 Cb 0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1g91 s VAL 40 CO -0.05 0.47 0.09 -0.63 0.00 0.00 0.00 175.10 174.99 1g91 s ILE 41 N 0.02 4.85 -0.20 2.22 1.01 0.15 0.14 121.20 129.39 1g91 s ILE 41 Ca -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1g91 s ILE 41 Cb -0.13 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1g91 s ILE 41 CO 0.03 0.40 -0.03 -0.36 0.00 0.00 0.00 174.94 174.98 1g91 s PHE 42 N 0.86 2.98 -0.13 3.97 0.08 0.16 -1.34 117.98 124.56 1g91 s PHE 42 Ca 0.05 -0.66 -0.08 0.00 0.12 0.00 0.00 56.93 56.36 1g91 s PHE 42 Cb -0.13 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1g91 s PHE 42 CO 0.03 -0.36 0.14 -1.17 -0.10 0.00 0.00 175.22 173.76 1g91 s LEU 43 N 1.11 4.36 0.41 -0.37 0.20 -0.77 -2.21 118.68 121.41 1g91 s LEU 43 Ca 0.02 0.43 0.08 0.00 0.69 0.00 0.00 54.13 55.35 1g91 s LEU 43 Cb -0.15 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.52 1g91 s LEU 43 CO 0.00 0.37 0.41 0.42 -0.29 0.00 0.00 176.35 177.26 1g91 s THR 44 N -0.79 2.86 -2.00 3.68 -4.23 0.22 -1.44 115.64 113.94 1g91 s THR 44 Ca 0.14 -1.27 0.22 0.00 -1.18 0.00 0.00 61.69 59.59 1g91 s THR 44 Cb -0.12 -3.03 0.61 0.00 1.34 0.00 0.00 72.50 71.30 1g91 s THR 44 CO 0.03 -0.02 1.73 1.17 -0.54 0.00 0.00 174.62 176.99 1g91 n LYS 45 N -1.59 0.84 -1.02 3.99 3.00 -1.26 -3.02 118.16 119.11 1g91 n LYS 45 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.21 1g91 n LYS 45 Cb 0.61 -1.40 0.19 0.00 0.00 0.00 0.00 35.03 34.43 1g91 n LYS 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1g91 n LYS 46 N -0.90 2.04 -2.59 1.64 5.02 -1.26 -4.89 118.16 117.21 1g91 n LYS 46 Ca 0.16 -3.13 -0.19 0.00 -2.02 0.00 0.00 58.31 53.13 1g91 n LYS 46 Cb 0.07 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g91 n GLY 47 N -1.13 -0.50 3.25 0.72 0.00 -1.17 -4.94 105.19 101.41 1g91 n GLY 47 Ca 0.46 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 1g91 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1g91 s ARG 48 N -5.23 2.91 0.06 1.61 3.52 -1.26 -4.96 118.95 115.61 1g91 s ARG 48 Ca 0.08 -0.94 0.08 0.00 -0.13 0.00 0.00 55.73 54.82 1g91 s ARG 48 Cb -0.04 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 1g91 s ARG 48 CO 0.10 -0.42 -0.18 -0.98 -0.81 0.00 0.00 175.30 173.01 1g91 s ARG 49 N 1.38 1.98 0.18 5.12 1.70 -1.26 -0.61 118.95 127.44 1g91 s ARG 49 Ca 0.01 -1.04 -0.23 0.00 -0.47 0.00 0.00 55.73 54.00 1g91 s ARG 49 Cb -0.17 -2.16 0.06 0.00 -0.57 0.00 0.00 34.95 32.11 1g91 s ARG 49 CO -0.02 0.52 0.67 -0.59 -1.08 0.00 0.00 175.30 174.80 1g91 s PHE 50 N -0.98 -0.41 0.23 5.89 -0.12 -0.94 -4.98 117.98 116.69 1g91 s PHE 50 Ca 0.15 0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.17 1g91 s PHE 50 Cb -0.10 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1g91 s PHE 50 CO 0.06 -0.94 0.41 0.00 -0.05 0.00 0.00 175.22 174.71 1g91 s ALA 52 N -1.97 1.24 0.11 0.00 0.00 0.37 -2.42 121.76 119.09 1g91 s ALA 52 Ca 0.38 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 1g91 s ALA 52 Cb -0.10 1.18 -0.06 0.00 0.00 0.00 0.00 23.12 24.14 1g91 s ALA 52 CO 0.30 -0.53 1.04 1.21 0.00 0.00 0.00 175.76 177.79 1g91 s ASN 53 N -3.17 7.35 0.00 0.00 3.84 -1.26 -2.48 114.94 119.22 1g91 s ASN 53 Ca 0.35 1.90 0.25 0.00 0.21 0.00 0.00 52.86 55.57 1g91 s ASN 53 Cb 0.07 -2.59 1.25 0.00 -0.55 0.00 0.00 41.25 39.43 1g91 s ASN 53 CO 0.10 -0.20 1.82 -0.81 -2.79 0.00 0.00 177.10 175.22 1g91 n PRO 54 N 2.97 0.36 -0.08 0.43 -0.04 -1.26 -2.57 135.00 134.80 1g91 n PRO 54 Ca 0.04 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1g91 n PRO 54 Cb 0.48 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.56 1g91 n PRO 54 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1g91 n SER 55 N -1.28 2.71 -4.72 3.54 7.64 -1.26 -4.85 113.62 115.41 1g91 n SER 55 Ca 0.12 -1.79 -0.42 0.00 1.01 0.00 0.00 58.87 57.78 1g91 n SER 55 Cb 0.19 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1g91 n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1g91 s ASP 56 N -1.28 6.89 0.28 6.43 2.15 -1.06 -4.90 116.67 125.19 1g91 s ASP 56 Ca 0.24 2.25 -0.03 0.00 0.43 0.00 0.00 52.55 55.44 1g91 s ASP 56 Cb 0.15 -2.59 0.38 0.00 -0.30 0.00 0.00 42.92 40.57 1g91 s ASP 56 CO 0.22 -0.60 1.95 0.11 -0.17 0.00 0.00 175.17 176.68 1g91 h LYS 57 N 6.72 1.15 0.00 4.34 1.57 -1.93 -0.77 116.57 127.66 1g91 h LYS 57 Ca -0.42 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1g91 h LYS 57 Cb 1.21 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1g91 h LYS 57 CO 0.85 0.78 -0.17 1.96 -0.57 0.00 0.00 179.45 182.30 1g91 h GLN 58 N 1.18 0.00 -0.05 3.15 4.20 -1.97 -2.30 115.11 119.32 1g91 h GLN 58 Ca 0.31 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.98 1g91 h GLN 58 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1g91 h GLN 58 CO -0.07 0.17 -0.13 0.28 -0.67 0.00 0.00 178.83 178.41 1g91 h VAL 59 N 0.00 1.44 -0.44 -0.54 2.07 -1.46 -1.78 116.25 115.53 1g91 h VAL 59 Ca -0.00 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1g91 h VAL 59 Cb 0.36 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1g91 h VAL 59 CO 0.02 0.41 0.26 1.56 0.02 0.00 0.00 177.57 179.84 1g91 h GLN 60 N -0.34 0.59 -0.20 1.57 4.20 -1.21 -0.48 115.11 119.23 1g91 h GLN 60 Ca -0.00 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1g91 h GLN 60 Cb 0.73 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1g91 h GLN 60 CO 0.03 0.42 -0.22 0.28 -0.67 0.00 0.00 178.83 178.67 1g91 h VAL 61 N 0.61 1.33 -0.49 -0.54 2.07 -1.36 -3.05 116.25 114.82 1g91 h VAL 61 Ca 0.16 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 1g91 h VAL 61 Cb -0.02 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1g91 h VAL 61 CO -0.03 0.43 0.10 0.00 0.02 0.00 0.00 177.57 178.08 1g91 h MET 63 N 0.72 0.11 0.00 0.00 2.07 -1.00 0.47 114.93 117.30 1g91 h MET 63 Ca 0.16 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 1g91 h MET 63 Cb 0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 1g91 h MET 63 CO 0.00 0.07 0.00 0.00 1.07 0.00 0.00 176.91 178.05 1g91 h ARG 64 N 0.11 0.00 0.00 1.72 3.08 -1.42 0.09 114.38 117.96 1g91 h ARG 64 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.96 1g91 h ARG 64 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1g91 h ARG 64 CO -0.29 0.00 -1.45 -0.12 -1.07 0.00 0.00 179.97 177.04 1g91 n MET 65 N -2.41 0.57 0.00 0.04 1.56 0.13 -4.05 117.12 112.95 1g91 n MET 65 Ca -0.00 0.53 0.12 0.00 -0.27 0.00 0.00 57.70 58.07 1g91 n MET 65 Cb 0.12 -1.71 0.64 0.00 2.15 0.00 0.00 33.22 34.42 1g91 n MET 65 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1g91 n LEU 66 N -4.41 0.00 -4.45 -0.89 4.77 0.96 -4.82 117.00 108.17 1g91 n LEU 66 Ca -0.35 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 55.49 1g91 n LEU 66 Cb 0.71 -0.15 0.27 0.00 -2.33 0.00 0.00 43.42 41.92 1g91 n LEU 66 CO 0.16 -0.04 0.48 2.29 -1.33 0.00 0.00 177.39 178.95 1g91 n LYS 67 N -1.15 -2.74 -1.74 3.23 -0.00 0.00 -4.77 118.16 110.99 1g91 n LYS 67 Ca 0.14 -0.77 -0.40 0.00 -0.00 0.00 0.00 58.31 57.28 1g91 n LYS 67 Cb 0.13 -2.14 -0.03 0.00 -0.00 0.00 0.00 35.03 32.99 1g91 n LYS 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1g91 s LEU 68 N -7.33 3.41 -0.14 -5.58 1.43 -1.26 -4.82 118.68 104.39 1g91 s LEU 68 Ca 0.69 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 1g91 s LEU 68 Cb -0.26 -2.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.89 1g91 s LEU 68 CO 0.66 -2.32 0.05 -0.78 0.23 0.00 0.00 176.35 174.20 1g91 h ASP 69 N 16.25 0.00 0.00 2.29 1.82 -1.87 -3.48 116.42 131.42 1g91 h ASP 69 Ca -0.31 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 1g91 h ASP 69 Cb 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 1g91 h ASP 69 CO 1.09 0.87 0.00 0.35 -1.61 0.00 0.00 179.24 179.94 1g91 n THR 70 N -4.62 0.00 0.08 2.25 -2.24 -1.26 -5.07 114.28 103.42 1g91 n THR 70 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1g91 n THR 70 Cb 0.31 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1g91 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1g91 n ARG 71 N -2.93 0.00 -2.21 -0.78 3.00 -1.26 -5.14 116.66 107.34 1g91 n ARG 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1g91 n ARG 71 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 32.42 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1g91 n ILE 72 N -3.11-13.03 -1.72 5.15 5.41 -1.26 -4.78 119.36 106.01 1g91 n ILE 72 Ca 0.00 3.21 -0.42 0.00 1.00 0.00 0.00 62.75 66.53 1g91 n ILE 72 Cb 0.02 -5.61 -0.01 0.00 -0.71 0.00 0.00 39.64 33.33 1g91 n ILE 72 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1g91 n LYS 73 N 1.92 2.45 -3.47 0.38 2.85 -1.26 -4.98 118.16 116.05 1g91 n LYS 73 Ca 0.00 0.87 -0.11 0.00 -1.05 0.00 0.00 58.31 58.02 1g91 n LYS 73 Cb 0.00 -2.58 -0.02 0.00 -0.65 0.00 0.00 35.03 31.77 1g91 n LYS 73 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1g91 s THR 74 N -0.36 0.00 0.01 0.58 -1.32 -1.26 -5.08 115.64 108.21 1g91 s THR 74 Ca 0.62 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.06 1g91 s THR 74 Cb -0.54 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.43 1g91 s THR 74 CO 0.53 0.00 1.06 0.03 -2.21 0.00 0.00 174.62 174.03 1g91 h ARG 75 N 2.10 -0.10 0.00 7.08 3.08 -2.02 -3.46 114.38 121.07 1g91 h ARG 75 Ca -0.27 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1g91 h ARG 75 Cb 1.26 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1g91 h ARG 75 CO 0.34 -0.06 0.00 1.17 -1.07 0.00 0.00 179.97 180.35 1g91 n LYS 76 N -2.68 0.00 -0.57 0.04 4.81 -1.26 -5.30 118.16 113.20 1g91 n LYS 76 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1g91 n LYS 76 Cb 0.05 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.10 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86