#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g91 s ASP 2 N 0.00 7.13 0.52 7.83 -1.08 -1.26 -4.91 116.67 124.90 1g91 s ASP 2 Ca 0.00 2.22 0.16 0.00 -0.52 0.00 0.00 52.55 54.41 1g91 s ASP 2 Cb 0.00 -2.62 1.26 0.00 -1.46 0.00 0.00 42.92 40.10 1g91 s ASP 2 CO 0.00 -0.24 2.14 0.03 0.52 0.00 0.00 175.17 177.62 1g91 h ARG 3 N 3.48 0.02 -5.22 4.34 2.47 -2.13 -3.35 114.38 113.99 1g91 h ARG 3 Ca -0.47 -0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.13 1g91 h ARG 3 Cb 1.21 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1g91 h ARG 3 CO 0.66 0.01 0.37 -0.06 0.56 0.00 0.00 179.97 181.51 1g91 s PHE 4 N -5.08 1.44 0.44 3.04 0.08 -1.26 -4.88 117.98 111.75 1g91 s PHE 4 Ca -0.05 1.76 0.08 0.00 0.12 0.00 0.00 56.93 58.84 1g91 s PHE 4 Cb 0.17 -3.53 0.01 0.00 -0.57 0.00 0.00 43.02 39.10 1g91 s PHE 4 CO 0.67 -0.81 0.54 -1.01 -0.10 0.00 0.00 175.22 174.51 1g91 s HIS 5 N 15.26 2.64 -0.59 0.36 3.76 -1.26 -5.06 115.29 130.40 1g91 s HIS 5 Ca 0.77 -0.46 -0.18 0.00 -0.15 0.00 0.00 55.06 55.05 1g91 s HIS 5 Cb -0.04 -2.31 0.12 0.00 1.11 0.00 0.00 32.58 31.46 1g91 s HIS 5 CO 0.17 -0.42 0.64 0.00 -0.85 0.00 0.00 174.74 174.29 1g91 s ALA 6 N -2.42 3.52 -0.27 -1.40 0.00 -1.26 -4.86 121.76 115.07 1g91 s ALA 6 Ca 0.54 -2.39 0.12 0.00 0.00 0.00 0.00 51.96 50.22 1g91 s ALA 6 Cb -0.08 -3.45 0.58 0.00 0.00 0.00 0.00 23.12 20.17 1g91 s ALA 6 CO 0.32 -2.24 1.56 0.25 0.00 0.00 0.00 175.76 175.64 1g91 n THR 7 N 5.38 2.59 -1.39 0.00 -2.24 -1.26 -4.59 114.28 112.77 1g91 n THR 7 Ca -0.10 -2.13 -0.33 0.00 -2.27 0.00 0.00 64.05 59.22 1g91 n THR 7 Cb 0.42 -0.32 0.08 0.00 -2.10 0.00 0.00 70.33 68.41 1g91 n THR 7 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1g91 n SER 8 N -0.69 7.22 -4.57 3.42 3.41 -1.26 -4.90 113.62 116.25 1g91 n SER 8 Ca 0.32 -3.78 -0.34 0.00 -0.26 0.00 0.00 58.87 54.81 1g91 n SER 8 Cb 1.11 -0.91 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g91 s ALA 9 N -3.78 2.32 -0.38 7.33 0.00 -1.26 -4.72 121.76 121.28 1g91 s ALA 9 Ca 0.63 -2.14 0.11 0.00 0.00 0.00 0.00 51.96 50.56 1g91 s ALA 9 Cb 0.50 -4.59 0.33 0.00 0.00 0.00 0.00 23.12 19.36 1g91 s ALA 9 CO 0.00 -4.25 0.73 -3.47 0.00 0.00 0.00 175.76 168.77 1g91 n ASP 10 N 11.47 0.51 -4.68 0.00 -0.08 -1.26 -5.10 116.55 117.41 1g91 n ASP 10 Ca 0.41 -3.01 -0.35 0.00 -1.51 0.00 0.00 54.79 50.32 1g91 n ASP 10 Cb 0.48 -0.44 -0.09 0.00 2.34 0.00 0.00 41.12 43.41 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g91 n ILE 13 N 5.32 1.68 -3.80 0.00 -0.00 -1.26 -4.70 119.36 116.59 1g91 n ILE 13 Ca -0.01 -0.56 -0.12 0.00 -0.00 0.00 0.00 62.75 62.06 1g91 n ILE 13 Cb 0.49 -1.70 -0.12 0.00 -0.00 0.00 0.00 39.64 38.31 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1g91 s SER 14 N -6.92 -0.20 0.37 4.38 1.04 -1.26 -5.16 113.70 105.95 1g91 s SER 14 Ca -0.27 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.54 1g91 s SER 14 Cb 0.07 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1g91 s SER 14 CO 0.70 -0.12 0.56 -0.31 0.98 0.00 0.00 173.24 175.05 1g91 s TYR 15 N -0.09 3.32 -0.03 5.02 2.02 -1.26 -4.40 117.35 121.93 1g91 s TYR 15 Ca -0.02 0.15 -0.29 0.00 -0.37 0.00 0.00 57.07 56.54 1g91 s TYR 15 Cb -0.02 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1g91 s TYR 15 CO 0.01 -0.04 0.96 -0.08 -1.57 0.00 0.00 175.55 174.82 1g91 s THR 16 N -2.34 4.87 -1.05 -0.71 -1.32 -0.97 -4.92 115.64 109.21 1g91 s THR 16 Ca 0.43 1.99 -0.08 0.00 -1.21 0.00 0.00 61.69 62.82 1g91 s THR 16 Cb -0.10 -4.29 -0.14 0.00 -1.51 0.00 0.00 72.50 66.47 1g91 s THR 16 CO 0.35 0.14 3.04 -0.81 -2.21 0.00 0.00 174.62 175.13 1g91 n PRO 17 N 4.13 2.98 -3.65 7.08 -0.04 -1.26 -4.75 135.00 139.48 1g91 n PRO 17 Ca 0.06 -1.73 -0.05 0.00 -0.04 0.00 0.00 63.50 61.73 1g91 n PRO 17 Cb 0.51 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 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 1.95 0.45 -1.10 0.54 0.52 -1.26 -5.07 118.95 114.98 1g91 s ARG 18 Ca 0.65 1.23 -0.23 0.00 -0.52 0.00 0.00 55.73 56.86 1g91 s ARG 18 Cb 0.21 0.57 -0.04 0.00 0.52 0.00 0.00 34.95 36.20 1g91 s ARG 18 CO -0.04 -0.22 1.87 -1.54 0.02 0.00 0.00 175.30 175.39 1g91 s SER 19 N 2.69 5.42 0.24 0.23 1.04 -1.26 -4.93 113.70 117.12 1g91 s SER 19 Ca -0.04 -1.45 -0.30 0.00 0.48 0.00 0.00 55.95 54.64 1g91 s SER 19 Cb -0.12 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.34 1g91 s SER 19 CO -0.16 -2.61 1.21 -0.63 0.98 0.00 0.00 173.24 172.03 1g91 s ILE 20 N 9.37 3.34 0.69 -1.02 1.01 -1.26 -5.01 121.20 128.32 1g91 s ILE 20 Ca 0.65 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 62.40 1g91 s ILE 20 Cb -0.02 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1g91 s ILE 20 CO 0.06 0.24 1.08 -2.16 0.00 0.00 0.00 174.94 174.16 1g91 s PRO 21 N -0.82 2.96 0.55 2.79 0.04 -1.26 -4.94 135.00 134.32 1g91 s PRO 21 Ca 0.50 0.60 0.31 0.00 0.04 0.00 0.00 61.00 62.45 1g91 s PRO 21 Cb -0.34 -2.02 1.61 0.00 0.04 0.00 0.00 34.50 33.78 1g91 s PRO 21 CO 0.41 -0.99 2.12 0.00 0.04 0.00 0.00 177.00 178.57 1g91 h SER 23 N 0.00 0.05 -0.71 0.00 0.87 -2.03 0.15 113.55 111.88 1g91 h SER 23 Ca -0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 1g91 h SER 23 Cb 0.29 -0.01 -0.16 0.00 -0.44 0.00 0.00 62.40 62.07 1g91 h SER 23 CO 0.01 0.03 0.30 0.18 -0.53 0.00 0.00 176.83 176.82 1g91 n LEU 24 N -4.43 5.80 -4.03 2.23 7.99 -0.80 -4.89 117.00 118.87 1g91 n LEU 24 Ca 0.07 -3.40 -0.29 0.00 -0.01 0.00 0.00 56.01 52.38 1g91 n LEU 24 Cb 0.45 -0.74 -0.17 0.00 -0.11 0.00 0.00 43.42 42.85 1g91 n LEU 24 CO 0.36 0.93 -0.49 -0.76 -1.51 0.00 0.00 177.39 175.92 1g91 s LEU 25 N -3.10 1.67 0.01 2.23 1.43 0.53 -4.24 118.68 117.21 1g91 s LEU 25 Ca 0.53 -0.46 0.22 0.00 -1.03 0.00 0.00 54.13 53.39 1g91 s LEU 25 Cb 0.44 -1.13 -0.21 0.00 0.03 0.00 0.00 46.19 45.32 1g91 s LEU 25 CO 0.10 -0.04 0.73 1.21 0.23 0.00 0.00 176.35 178.59 1g91 n GLU 26 N 4.60 0.44 -4.02 1.70 4.07 0.22 -4.85 120.64 122.79 1g91 n GLU 26 Ca -0.17 -0.09 0.05 0.00 -0.06 0.00 0.00 57.16 56.89 1g91 n GLU 26 Cb 0.50 -1.56 0.01 0.00 -0.06 0.00 0.00 31.44 30.34 1g91 n GLU 26 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1g91 s SER 27 N -4.15 0.00 0.08 4.31 0.15 -0.84 -4.99 113.70 108.26 1g91 s SER 27 Ca -0.02 -0.01 -0.26 0.00 0.70 0.00 0.00 55.95 56.37 1g91 s SER 27 Cb 0.14 0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.54 1g91 s SER 27 CO 0.87 -0.01 0.72 -0.72 1.20 0.00 0.00 173.24 175.30 1g91 s TYR 28 N -2.00 -0.47 0.19 3.44 1.13 -1.26 0.57 117.35 118.95 1g91 s TYR 28 Ca 0.32 0.34 -0.08 0.00 -1.41 0.00 0.00 57.07 56.24 1g91 s TYR 28 Cb 0.00 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.39 1g91 s TYR 28 CO -0.03 -0.71 0.30 -0.59 -2.51 0.00 0.00 175.55 172.00 1g91 s PHE 29 N -3.30 0.54 -0.09 -3.49 -0.71 -0.01 -4.96 117.98 105.96 1g91 s PHE 29 Ca 0.02 -0.88 -0.04 0.00 -1.04 0.00 0.00 56.93 54.98 1g91 s PHE 29 Cb -0.01 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1g91 s PHE 29 CO -0.10 -0.77 0.07 -1.21 -1.34 0.00 0.00 175.22 171.88 1g91 s GLU 30 N -4.02 3.20 0.80 1.99 0.41 -1.26 -1.15 118.70 118.67 1g91 s GLU 30 Ca 0.23 -0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 54.40 1g91 s GLU 30 Cb 0.03 -2.98 0.07 0.00 -1.78 0.00 0.00 34.13 29.47 1g91 s GLU 30 CO 0.05 0.73 1.10 0.95 -0.49 0.00 0.00 175.26 177.60 1g91 s THR 31 N -0.98 3.04 0.29 3.63 -4.23 -1.05 -4.95 115.64 111.39 1g91 s THR 31 Ca 0.15 0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.71 1g91 s THR 31 Cb -0.12 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 70.90 1g91 s THR 31 CO 0.04 -0.44 1.16 0.20 -0.54 0.00 0.00 174.62 175.05 1g91 s ASN 32 N -3.21 7.11 0.62 3.99 0.01 -1.25 -4.82 114.94 117.39 1g91 s ASN 32 Ca 0.63 2.40 0.36 0.00 -0.71 0.00 0.00 52.86 55.54 1g91 s ASN 32 Cb -0.19 -2.63 2.09 0.00 0.41 0.00 0.00 41.25 40.93 1g91 s ASN 32 CO 0.56 -0.27 2.31 -1.28 -1.51 0.00 0.00 177.10 176.91 1g91 h SER 33 N 3.70 0.00 -0.74 -1.22 0.87 -1.95 -1.55 113.55 112.67 1g91 h SER 33 Ca -0.47 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.21 1g91 h SER 33 Cb 1.22 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.13 1g91 h SER 33 CO 0.67 0.00 0.49 -0.33 -0.53 0.00 0.00 176.83 177.12 1g91 h GLU 34 N 0.00 0.50 -6.74 2.24 5.08 -1.97 -3.40 114.58 110.29 1g91 h GLU 34 Ca -0.00 -0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 57.81 1g91 h GLU 34 Cb 0.00 -0.11 0.05 0.00 0.50 0.00 0.00 28.75 29.18 1g91 h GLU 34 CO 0.00 0.33 0.68 0.00 -1.00 0.00 0.00 179.01 179.03 1g91 h SER 36 N 4.91 0.00 -4.11 0.00 4.64 -1.88 -3.34 113.55 113.76 1g91 h SER 36 Ca -0.46 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.17 1g91 h SER 36 Cb 1.22 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.95 1g91 h SER 36 CO 0.75 0.14 -0.41 -0.54 -0.87 0.00 0.00 176.83 175.89 1g91 s LYS 37 N -3.96 2.44 0.79 4.77 1.02 -1.26 -5.08 119.74 118.47 1g91 s LYS 37 Ca -0.01 -2.48 -0.12 0.00 0.02 0.00 0.00 55.97 53.37 1g91 s LYS 37 Cb 0.12 -3.66 0.07 0.00 -0.52 0.00 0.00 37.83 33.83 1g91 s LYS 37 CO 0.59 -1.16 1.13 -1.25 -0.92 0.00 0.00 175.35 173.74 1g91 s PRO 38 N 0.00 2.11 0.00 -1.68 0.04 -1.26 -2.88 135.00 131.34 1g91 s PRO 38 Ca 0.16 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1g91 s PRO 38 Cb -0.21 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1g91 s PRO 38 CO -0.03 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1g91 n GLY 39 N -2.76 -1.62 3.36 0.56 0.00 -1.26 -4.89 105.19 98.57 1g91 n GLY 39 Ca 0.07 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1g91 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g91 s VAL 40 N -2.59 2.91 -0.23 1.61 1.01 -1.03 -2.53 120.40 119.56 1g91 s VAL 40 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1g91 s VAL 40 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1g91 s VAL 40 CO 0.00 0.53 0.06 -0.63 0.00 0.00 0.00 175.10 175.07 1g91 s ILE 41 N 0.26 4.42 -0.16 2.22 1.01 -0.30 -0.43 121.20 128.23 1g91 s ILE 41 Ca -0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 1g91 s ILE 41 Cb -0.16 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1g91 s ILE 41 CO 0.06 0.38 0.10 -0.36 0.00 0.00 0.00 174.94 175.12 1g91 s PHE 42 N 1.24 3.41 -0.19 3.97 0.40 -0.71 -0.83 117.98 125.26 1g91 s PHE 42 Ca 0.05 0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1g91 s PHE 42 Cb -0.14 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1g91 s PHE 42 CO 0.03 0.42 0.07 -1.17 0.70 0.00 0.00 175.22 175.27 1g91 s LEU 43 N -0.22 3.79 0.53 -0.37 0.20 0.19 -2.14 118.68 120.65 1g91 s LEU 43 Ca 0.10 0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.98 1g91 s LEU 43 Cb -0.12 -1.97 0.02 0.00 -0.43 0.00 0.00 46.19 43.70 1g91 s LEU 43 CO 0.01 0.15 0.75 0.42 -0.29 0.00 0.00 176.35 177.38 1g91 s THR 44 N 0.54 2.99 -1.81 3.68 -4.23 0.13 0.69 115.64 117.64 1g91 s THR 44 Ca 0.03 -0.63 0.22 0.00 -1.18 0.00 0.00 61.69 60.13 1g91 s THR 44 Cb -0.13 -3.12 0.54 0.00 1.34 0.00 0.00 72.50 71.14 1g91 s THR 44 CO 0.01 -0.08 1.69 1.17 -0.54 0.00 0.00 174.62 176.87 1g91 n LYS 45 N -2.27 0.56 -0.72 3.99 4.81 -1.26 -2.71 118.16 120.55 1g91 n LYS 45 Ca 0.06 0.03 -0.02 0.00 -0.87 0.00 0.00 58.31 57.52 1g91 n LYS 45 Cb 0.59 -1.50 0.24 0.00 0.02 0.00 0.00 35.03 34.38 1g91 n LYS 45 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1g91 n LYS 46 N -1.10 3.23 -3.16 1.64 4.81 -1.26 -4.86 118.16 117.46 1g91 n LYS 46 Ca 0.14 -2.23 -0.23 0.00 -0.87 0.00 0.00 58.31 55.13 1g91 n LYS 46 Cb 0.11 -1.99 0.04 0.00 0.02 0.00 0.00 35.03 33.21 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g91 n GLY 47 N 0.11 -0.52 3.11 3.14 0.00 -1.10 -4.98 105.19 104.94 1g91 n GLY 47 Ca 0.27 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 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 -5.84 0.87 0.14 1.61 3.52 -1.25 -4.98 118.95 113.02 1g91 s ARG 48 Ca 0.36 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1g91 s ARG 48 Cb -0.16 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.33 1g91 s ARG 48 CO 0.45 0.21 -0.09 -0.98 -0.81 0.00 0.00 175.30 174.08 1g91 s ARG 49 N -0.95 1.01 0.02 5.12 1.70 -1.26 0.21 118.95 124.80 1g91 s ARG 49 Ca 0.01 -1.42 -0.16 0.00 -0.47 0.00 0.00 55.73 53.69 1g91 s ARG 49 Cb -0.07 -0.54 0.03 0.00 -0.57 0.00 0.00 34.95 33.80 1g91 s ARG 49 CO 0.01 0.06 0.36 -0.59 -1.08 0.00 0.00 175.30 174.05 1g91 s PHE 50 N -3.36 -0.21 0.37 5.89 -0.12 -0.91 -4.96 117.98 114.68 1g91 s PHE 50 Ca 0.15 0.21 -0.16 0.00 -0.05 0.00 0.00 56.93 57.08 1g91 s PHE 50 Cb 0.03 0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 42.47 1g91 s PHE 50 CO -0.00 -0.49 0.81 0.00 -0.05 0.00 0.00 175.22 175.48 1g91 s ALA 52 N -2.10 0.35 -0.05 0.00 0.00 0.43 -2.28 121.76 118.10 1g91 s ALA 52 Ca 0.56 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 1g91 s ALA 52 Cb -0.10 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1g91 s ALA 52 CO 0.18 -0.52 0.68 1.21 0.00 0.00 0.00 175.76 177.31 1g91 s ASN 53 N -2.97 7.00 0.00 0.00 3.84 -1.26 -2.45 114.94 119.09 1g91 s ASN 53 Ca 0.16 1.19 0.25 0.00 0.21 0.00 0.00 52.86 54.68 1g91 s ASN 53 Cb 0.06 -2.41 1.45 0.00 -0.55 0.00 0.00 41.25 39.80 1g91 s ASN 53 CO -0.03 -0.07 1.87 -0.81 -2.79 0.00 0.00 177.10 175.27 1g91 n PRO 54 N 3.55 0.68 0.00 0.43 -0.04 -1.26 -2.59 135.00 135.76 1g91 n PRO 54 Ca -0.02 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1g91 n PRO 54 Cb 0.51 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.08 0.71 -4.71 3.54 7.64 -1.26 -4.67 113.62 113.80 1g91 n SER 55 Ca 0.17 -0.51 -0.42 0.00 1.01 0.00 0.00 58.87 59.12 1g91 n SER 55 Cb 0.12 0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 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 -2.90 7.19 0.19 6.43 2.15 -1.07 -4.93 116.67 123.73 1g91 s ASP 56 Ca 0.13 1.86 -0.12 0.00 0.43 0.00 0.00 52.55 54.86 1g91 s ASP 56 Cb 0.18 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.32 1g91 s ASP 56 CO 0.69 -0.39 1.80 0.11 -0.17 0.00 0.00 175.17 177.20 1g91 h LYS 57 N 6.84 0.90 0.00 4.34 1.57 -1.91 -0.28 116.57 128.03 1g91 h LYS 57 Ca -0.41 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 1g91 h LYS 57 Cb 1.21 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1g91 h LYS 57 CO 0.79 0.68 -0.14 1.96 -0.57 0.00 0.00 179.45 182.18 1g91 h GLN 58 N 0.88 0.00 0.24 3.15 7.50 -1.97 0.34 115.11 125.25 1g91 h GLN 58 Ca 0.23 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 59.05 1g91 h GLN 58 Cb 0.05 0.00 0.04 0.00 0.05 0.00 0.00 27.48 27.61 1g91 h GLN 58 CO -0.04 0.14 -1.46 0.28 -1.50 0.00 0.00 178.83 176.25 1g91 h VAL 59 N 0.00 1.26 0.00 -0.54 2.07 -1.56 -2.36 116.25 115.13 1g91 h VAL 59 Ca -0.00 -2.67 -0.19 0.00 0.82 0.00 0.00 66.70 64.66 1g91 h VAL 59 Cb 0.42 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1g91 h VAL 59 CO 0.02 0.81 -0.93 0.06 0.02 0.00 0.00 177.57 177.55 1g91 h GLN 60 N 0.10 0.00 -0.12 1.57 3.07 -0.79 -2.50 115.11 116.45 1g91 h GLN 60 Ca -0.26 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.26 1g91 h GLN 60 Cb 2.13 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.70 1g91 h GLN 60 CO 0.26 0.93 -0.80 0.28 0.09 0.00 0.00 178.83 179.59 1g91 h VAL 61 N 0.00 1.29 -0.29 1.86 2.07 -0.43 -3.21 116.25 117.54 1g91 h VAL 61 Ca -0.01 -2.01 -0.15 0.00 0.82 0.00 0.00 66.70 65.36 1g91 h VAL 61 Cb 1.66 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1g91 h VAL 61 CO 0.12 0.63 -0.41 0.00 0.02 0.00 0.00 177.57 177.93 1g91 h MET 63 N 0.58 0.00 0.00 0.00 2.86 -1.45 0.34 114.93 117.26 1g91 h MET 63 Ca 0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1g91 h MET 63 Cb 0.96 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1g91 h MET 63 CO 0.09 0.00 -0.59 -0.09 1.06 0.00 0.00 176.91 177.37 1g91 h ARG 64 N 0.00 0.00 0.11 1.72 9.65 -1.46 -3.33 114.38 121.06 1g91 h ARG 64 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.55 1g91 h ARG 64 Cb 0.29 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 1g91 h ARG 64 CO -0.00 0.17 -1.80 1.98 2.80 0.00 0.00 179.97 183.12 1g91 h MET 65 N 0.00 0.22 -0.78 0.20 4.05 -0.41 -3.32 114.93 114.89 1g91 h MET 65 Ca -0.03 -0.38 0.22 0.00 -0.28 0.00 0.00 59.70 59.23 1g91 h MET 65 Cb 1.19 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 32.10 1g91 h MET 65 CO 0.02 1.06 0.56 -0.07 0.23 0.00 0.00 176.91 178.71 1g91 h LEU 66 N 0.06 0.03 0.00 3.39 3.38 -1.37 -3.42 115.31 117.38 1g91 h LEU 66 Ca -0.34 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.34 1g91 h LEU 66 Cb 2.04 -0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.95 1g91 h LEU 66 CO 0.11 0.01 -0.14 0.29 0.09 0.00 0.00 178.44 178.81 1g91 n LYS 67 N -4.32 -3.81 -2.41 1.13 5.02 -1.25 -4.82 118.16 107.70 1g91 n LYS 67 Ca 0.16 -1.14 -0.43 0.00 -2.02 0.00 0.00 58.31 54.87 1g91 n LYS 67 Cb 0.83 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1g91 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1g91 s LEU 68 N 0.00 3.63 -1.47 -0.35 1.02 -1.26 -4.90 118.68 115.35 1g91 s LEU 68 Ca 0.53 0.80 -0.11 0.00 0.02 0.00 0.00 54.13 55.36 1g91 s LEU 68 Cb -0.09 -3.54 0.03 0.00 0.02 0.00 0.00 46.19 42.61 1g91 s LEU 68 CO 0.44 -1.36 2.41 0.47 0.02 0.00 0.00 176.35 178.33 1g91 n ASP 69 N 8.49 5.96 -4.10 2.29 9.92 -1.26 -4.87 116.55 132.98 1g91 n ASP 69 Ca 0.15 -2.84 -0.10 0.00 -0.53 0.00 0.00 54.79 51.48 1g91 n ASP 69 Cb 0.48 -1.57 -0.09 0.00 -0.64 0.00 0.00 41.12 39.30 1g91 n ASP 69 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1g91 s THR 70 N 1.98 0.09 0.01 -3.53 -4.23 -1.26 -5.17 115.64 103.53 1g91 s THR 70 Ca 0.53 -1.79 -0.28 0.00 -1.18 0.00 0.00 61.69 58.97 1g91 s THR 70 Cb 0.15 -2.00 0.10 0.00 1.34 0.00 0.00 72.50 72.09 1g91 s THR 70 CO -0.07 -0.42 0.89 0.00 -0.54 0.00 0.00 174.62 174.48 1g91 s ARG 71 N -4.03 0.86 -0.43 3.99 1.70 -1.26 -5.09 118.95 114.69 1g91 s ARG 71 Ca 0.22 -0.34 0.09 0.00 -0.47 0.00 0.00 55.73 55.23 1g91 s ARG 71 Cb 0.06 0.38 0.29 0.00 -0.57 0.00 0.00 34.95 35.11 1g91 s ARG 71 CO 0.01 -0.38 0.64 -0.89 -1.08 0.00 0.00 175.30 173.61 1g91 n ILE 72 N -0.27 0.10 -0.34 4.99 5.41 -1.26 -5.11 119.36 122.87 1g91 n ILE 72 Ca -0.09 -4.44 -0.14 0.00 1.00 0.00 0.00 62.75 59.08 1g91 n ILE 72 Cb 0.62 -1.42 0.13 0.00 -0.71 0.00 0.00 39.64 38.25 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 0.88 -2.89 0.00 0.38 2.85 -1.26 -5.06 118.16 113.06 1g91 n LYS 73 Ca 0.24 -0.74 0.00 0.00 -1.05 0.00 0.00 58.31 56.76 1g91 n LYS 73 Cb 0.54 -0.86 0.00 0.00 -0.65 0.00 0.00 35.03 34.07 1g91 n LYS 73 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1g91 n THR 74 N -4.09 0.00 0.00 0.58 5.66 -1.26 -5.09 114.28 110.09 1g91 n THR 74 Ca 0.07 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1g91 n THR 74 Cb 0.28 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.06 1g91 n THR 74 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1g91 n ARG 75 N -0.51 0.01 -2.62 1.09 5.12 -1.26 -4.98 116.66 113.51 1g91 n ARG 75 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 1g91 n ARG 75 Cb 0.00 -0.52 0.07 0.00 -1.16 0.00 0.00 32.46 30.86 1g91 n ARG 75 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1g91 n LYS 76 N -3.09 0.85 0.00 5.56 4.81 -1.26 -5.38 118.16 119.65 1g91 n LYS 76 Ca -0.01 -1.31 0.14 0.00 -0.87 0.00 0.00 58.31 56.26 1g91 n LYS 76 Cb 0.44 0.03 0.82 0.00 0.02 0.00 0.00 35.03 36.33 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86