#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 2.85 -0.01 3.17 9.92 -1.26 -4.92 116.55 126.30 1g91 n ASP 2 Ca 0.00 -3.28 -0.00 0.00 -0.53 0.00 0.00 54.79 50.98 1g91 n ASP 2 Cb 0.00 -0.64 -0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1g91 n ASP 2 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1g91 h ARG 3 N 3.90 0.00 -3.19 -1.24 2.47 -2.08 -3.41 114.38 110.83 1g91 h ARG 3 Ca 0.15 0.00 -0.80 0.00 -1.26 0.00 0.00 59.98 58.08 1g91 h ARG 3 Cb 0.71 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 28.77 1g91 h ARG 3 CO 0.73 0.00 0.93 1.19 0.56 0.00 0.00 179.97 183.37 1g91 n PHE 4 N -2.55 3.00 -3.96 3.04 3.72 -1.26 -4.98 117.46 114.47 1g91 n PHE 4 Ca -0.01 -2.88 -0.06 0.00 -0.05 0.00 0.00 57.45 54.46 1g91 n PHE 4 Cb 0.03 -1.47 -0.01 0.00 -0.94 0.00 0.00 39.48 37.09 1g91 n PHE 4 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1g91 n HIS 5 N 2.09 -0.29 -3.91 1.38 8.25 -1.26 -5.11 115.22 116.38 1g91 n HIS 5 Ca 0.28 -0.47 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 1g91 n HIS 5 Cb 0.35 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 31.24 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g91 s ALA 6 N -2.16 2.53 0.15 -1.41 0.00 -1.26 -5.09 121.76 114.51 1g91 s ALA 6 Ca 0.02 -2.42 -0.02 0.00 0.00 0.00 0.00 51.96 49.54 1g91 s ALA 6 Cb -0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1g91 s ALA 6 CO 0.01 -1.76 0.09 -0.08 0.00 0.00 0.00 175.76 174.02 1g91 s THR 7 N 0.87 0.08 -0.29 0.00 -1.32 -1.26 -5.13 115.64 108.59 1g91 s THR 7 Ca 0.12 -1.90 -0.11 0.00 -1.21 0.00 0.00 61.69 58.59 1g91 s THR 7 Cb -0.20 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1g91 s THR 7 CO -0.11 -0.35 0.18 -0.94 -2.21 0.00 0.00 174.62 171.20 1g91 s SER 8 N -3.07 5.86 -0.49 8.08 1.04 -1.26 -5.04 113.70 118.82 1g91 s SER 8 Ca 0.27 -0.15 -0.28 0.00 0.48 0.00 0.00 55.95 56.27 1g91 s SER 8 Cb 0.07 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.14 1g91 s SER 8 CO 0.04 -0.09 1.09 0.00 0.98 0.00 0.00 173.24 175.26 1g91 s ALA 9 N 1.72 3.16 0.00 5.32 0.00 -1.26 -4.65 121.76 126.05 1g91 s ALA 9 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1g91 s ALA 9 Cb -0.16 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1g91 s ALA 9 CO 0.09 -2.26 0.00 -3.47 0.00 0.00 0.00 175.76 170.13 1g91 n ASP 10 N 7.74 0.00 -4.73 0.00 2.03 -1.26 -5.12 116.55 115.22 1g91 n ASP 10 Ca 0.10 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.18 1g91 n ASP 10 Cb 0.49 0.02 0.11 0.00 -0.72 0.00 0.00 41.12 41.02 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g91 n ILE 13 N 2.81 0.95 -3.64 0.00 2.08 -1.26 -4.81 119.36 115.49 1g91 n ILE 13 Ca -0.17 -0.58 -0.06 0.00 0.56 0.00 0.00 62.75 62.51 1g91 n ILE 13 Cb 0.53 -0.66 -0.06 0.00 -0.75 0.00 0.00 39.64 38.70 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1g91 s SER 14 N -4.75 -0.95 0.60 4.38 0.15 -1.26 -5.16 113.70 106.70 1g91 s SER 14 Ca -0.08 1.48 -0.12 0.00 0.70 0.00 0.00 55.95 57.93 1g91 s SER 14 Cb 0.04 1.53 -0.05 0.00 -1.71 0.00 0.00 66.02 65.83 1g91 s SER 14 CO 0.56 -0.23 1.01 -0.31 1.20 0.00 0.00 173.24 175.47 1g91 s TYR 15 N 1.83 3.60 -0.23 3.44 1.51 -1.26 -4.48 117.35 121.76 1g91 s TYR 15 Ca -0.09 1.30 -0.27 0.00 -1.01 0.00 0.00 57.07 57.00 1g91 s TYR 15 Cb -0.06 -2.72 0.00 0.00 -0.11 0.00 0.00 41.96 39.08 1g91 s TYR 15 CO -0.19 -0.62 0.95 -0.08 -1.11 0.00 0.00 175.55 174.50 1g91 s THR 16 N -3.07 4.75 -1.40 -0.71 -1.32 -0.99 -4.93 115.64 107.96 1g91 s THR 16 Ca 0.55 1.85 -0.13 0.00 -1.21 0.00 0.00 61.69 62.75 1g91 s THR 16 Cb -0.11 -4.23 -0.03 0.00 -1.51 0.00 0.00 72.50 66.62 1g91 s THR 16 CO 0.50 -0.13 2.44 -0.81 -2.21 0.00 0.00 174.62 174.41 1g91 n PRO 17 N 6.15 2.94 -3.90 7.08 -0.04 -1.26 -4.84 135.00 141.12 1g91 n PRO 17 Ca 0.09 -2.28 -0.09 0.00 -0.04 0.00 0.00 63.50 61.18 1g91 n PRO 17 Cb 0.47 -3.01 -0.04 0.00 -0.04 0.00 0.00 33.50 30.88 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 3.05 1.58 -0.29 0.54 0.52 -1.26 -5.13 118.95 117.96 1g91 s ARG 18 Ca 0.55 -1.09 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 1g91 s ARG 18 Cb 0.15 0.52 -0.02 0.00 0.52 0.00 0.00 34.95 36.12 1g91 s ARG 18 CO -0.05 -0.68 0.52 -1.12 0.02 0.00 0.00 175.30 173.99 1g91 s SER 19 N -2.96 6.40 -0.29 0.23 0.01 -1.26 -5.04 113.70 110.80 1g91 s SER 19 Ca 0.16 0.37 -0.06 0.00 1.31 0.00 0.00 55.95 57.73 1g91 s SER 19 Cb -0.02 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.94 1g91 s SER 19 CO 0.06 -0.35 0.05 -0.63 0.41 0.00 0.00 173.24 172.78 1g91 s ILE 20 N 2.36 3.75 -0.30 1.44 1.09 -1.26 -5.06 121.20 123.22 1g91 s ILE 20 Ca 0.21 -0.76 -0.29 0.00 -1.10 0.00 0.00 60.65 58.71 1g91 s ILE 20 Cb -0.15 -2.93 0.01 0.00 -1.06 0.00 0.00 42.46 38.32 1g91 s ILE 20 CO 0.11 0.10 1.20 -2.16 -0.10 0.00 0.00 174.94 174.09 1g91 s PRO 21 N 1.47 3.99 0.47 2.79 0.04 -1.26 -4.89 135.00 137.60 1g91 s PRO 21 Ca 0.02 1.19 0.30 0.00 0.04 0.00 0.00 61.00 62.55 1g91 s PRO 21 Cb -0.17 -3.81 1.38 0.00 0.04 0.00 0.00 34.50 31.94 1g91 s PRO 21 CO 0.01 -1.01 1.73 0.00 0.04 0.00 0.00 177.00 177.77 1g91 h SER 23 N 0.16 0.00 -0.52 0.00 0.02 -1.99 0.44 113.55 111.65 1g91 h SER 23 Ca 0.67 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.34 1g91 h SER 23 Cb 2.21 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 64.58 1g91 h SER 23 CO -0.20 0.00 0.07 -0.11 -1.14 0.00 0.00 176.83 175.45 1g91 n LEU 24 N -2.90 4.81 -4.19 5.07 7.94 0.40 -4.97 117.00 123.16 1g91 n LEU 24 Ca -0.02 -3.81 -0.26 0.00 -1.11 0.00 0.00 56.01 50.81 1g91 n LEU 24 Cb 0.38 -0.68 -0.16 0.00 0.53 0.00 0.00 43.42 43.49 1g91 n LEU 24 CO 0.14 1.27 -0.52 -0.76 -1.11 0.00 0.00 177.39 176.41 1g91 s LEU 25 N -3.30 2.02 -0.08 -1.96 1.43 0.15 -3.88 118.68 113.07 1g91 s LEU 25 Ca 0.48 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1g91 s LEU 25 Cb 0.43 -1.01 -0.24 0.00 0.03 0.00 0.00 46.19 45.40 1g91 s LEU 25 CO 0.02 0.23 0.53 1.21 0.23 0.00 0.00 176.35 178.57 1g91 n GLU 26 N 2.68 0.69 -3.66 1.70 2.13 0.76 -4.79 120.64 120.16 1g91 n GLU 26 Ca -0.15 0.28 0.02 0.00 0.66 0.00 0.00 57.16 57.97 1g91 n GLU 26 Cb 0.53 -1.76 -0.00 0.00 0.27 0.00 0.00 31.44 30.48 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1g91 s SER 27 N -6.49 -0.04 0.10 4.31 0.01 -1.16 -5.02 113.70 105.42 1g91 s SER 27 Ca -0.12 -0.12 -0.13 0.00 1.31 0.00 0.00 55.95 56.89 1g91 s SER 27 Cb 0.07 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.45 1g91 s SER 27 CO 0.80 -0.25 0.31 -0.72 0.41 0.00 0.00 173.24 173.80 1g91 s TYR 28 N -2.30 -0.06 0.20 2.43 -0.85 -1.26 -0.31 117.35 115.21 1g91 s TYR 28 Ca 0.16 -0.28 -0.05 0.00 -0.52 0.00 0.00 57.07 56.38 1g91 s TYR 28 Cb 0.05 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1g91 s TYR 28 CO -0.04 -0.62 0.23 -0.59 -1.52 0.00 0.00 175.55 173.01 1g91 s PHE 29 N -3.70 0.82 -0.09 -3.49 -0.71 -0.72 -4.98 117.98 105.11 1g91 s PHE 29 Ca 0.03 -1.11 -0.03 0.00 -1.04 0.00 0.00 56.93 54.78 1g91 s PHE 29 Cb 0.03 -0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 1g91 s PHE 29 CO -0.11 -0.73 0.01 -1.21 -1.34 0.00 0.00 175.22 171.85 1g91 s GLU 30 N -4.08 3.09 0.95 1.99 8.01 -1.26 -1.19 118.70 126.21 1g91 s GLU 30 Ca 0.30 -0.39 -0.12 0.00 0.01 0.00 0.00 54.97 54.78 1g91 s GLU 30 Cb 0.05 -2.85 0.16 0.00 -4.31 0.00 0.00 34.13 27.18 1g91 s GLU 30 CO 0.08 0.67 1.09 0.95 0.01 0.00 0.00 175.26 178.07 1g91 s THR 31 N -0.80 2.32 0.23 3.63 -4.23 -0.91 -4.93 115.64 110.94 1g91 s THR 31 Ca 0.12 0.10 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 1g91 s THR 31 Cb -0.12 -2.60 -0.10 0.00 1.34 0.00 0.00 72.50 71.02 1g91 s THR 31 CO 0.02 -0.13 1.49 0.20 -0.54 0.00 0.00 174.62 175.66 1g91 s ASN 32 N -3.47 6.60 0.15 3.99 0.01 -1.26 -4.79 114.94 116.18 1g91 s ASN 32 Ca 0.64 2.68 0.13 0.00 -0.71 0.00 0.00 52.86 55.60 1g91 s ASN 32 Cb -0.18 -2.62 0.64 0.00 0.41 0.00 0.00 41.25 39.51 1g91 s ASN 32 CO 0.57 -0.76 1.40 -0.24 -1.51 0.00 0.00 177.10 176.56 1g91 n SER 33 N 2.80 0.30 0.21 -1.22 2.88 -1.26 -1.50 113.62 115.82 1g91 n SER 33 Ca 0.09 0.62 0.06 0.00 -1.33 0.00 0.00 58.87 58.31 1g91 n SER 33 Cb 0.39 -0.66 0.46 0.00 -0.75 0.00 0.00 64.21 63.65 1g91 n SER 33 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1g91 h GLU 34 N 0.00 0.00 -6.49 -1.46 5.08 -2.01 -3.42 114.58 106.27 1g91 h GLU 34 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1g91 h GLU 34 Cb 0.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.35 1g91 h GLU 34 CO 0.00 0.29 0.80 0.00 -1.00 0.00 0.00 179.01 179.10 1g91 h SER 36 N 7.27 0.00 -3.23 0.00 4.64 -1.89 -3.15 113.55 117.19 1g91 h SER 36 Ca -0.41 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.27 1g91 h SER 36 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.88 1g91 h SER 36 CO 0.89 0.00 -0.47 -0.54 -0.87 0.00 0.00 176.83 175.83 1g91 s LYS 37 N -4.80 2.61 0.84 4.77 -0.14 -1.26 -5.08 119.74 116.68 1g91 s LYS 37 Ca -0.05 -3.30 -0.12 0.00 -1.36 0.00 0.00 55.97 51.15 1g91 s LYS 37 Cb 0.17 -3.53 0.10 0.00 -1.68 0.00 0.00 37.83 32.88 1g91 s LYS 37 CO 0.62 -1.27 1.16 -1.25 -0.76 0.00 0.00 175.35 173.84 1g91 s PRO 38 N -1.37 1.72 0.00 -1.68 0.04 -1.19 -3.20 135.00 129.32 1g91 s PRO 38 Ca 0.25 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1g91 s PRO 38 Cb -0.06 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1g91 s PRO 38 CO -0.15 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1g91 n GLY 39 N -2.85 -1.35 3.25 0.56 0.00 -1.26 -4.88 105.19 98.65 1g91 n GLY 39 Ca 0.07 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.63 2.56 0.00 1.61 1.01 -0.95 -2.14 120.40 119.87 1g91 s VAL 40 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1g91 s VAL 40 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1g91 s VAL 40 CO 0.00 0.52 0.33 -0.63 0.00 0.00 0.00 175.10 175.32 1g91 s ILE 41 N 0.84 5.18 -0.09 2.22 1.01 -0.33 -0.11 121.20 129.93 1g91 s ILE 41 Ca -0.05 0.50 0.04 0.00 0.00 0.00 0.00 60.65 61.14 1g91 s ILE 41 Cb -0.15 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1g91 s ILE 41 CO -0.01 0.46 -0.21 -0.36 0.00 0.00 0.00 174.94 174.83 1g91 s PHE 42 N -1.20 2.59 -0.26 3.97 0.08 0.04 -1.76 117.98 121.44 1g91 s PHE 42 Ca 0.26 -0.75 -0.08 0.00 0.12 0.00 0.00 56.93 56.47 1g91 s PHE 42 Cb -0.14 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1g91 s PHE 42 CO 0.14 -0.24 0.09 -1.17 -0.10 0.00 0.00 175.22 173.94 1g91 s LEU 43 N 0.06 3.57 0.86 -0.37 0.20 0.58 -2.37 118.68 121.22 1g91 s LEU 43 Ca -0.09 -0.19 -0.12 0.00 0.69 0.00 0.00 54.13 54.43 1g91 s LEU 43 Cb -0.15 -1.96 0.11 0.00 -0.43 0.00 0.00 46.19 43.76 1g91 s LEU 43 CO 0.06 -0.04 1.12 0.42 -0.29 0.00 0.00 176.35 177.61 1g91 s THR 44 N 1.64 2.49 -1.24 3.68 -4.23 -0.60 -0.17 115.64 117.21 1g91 s THR 44 Ca 0.06 0.16 0.25 0.00 -1.18 0.00 0.00 61.69 60.99 1g91 s THR 44 Cb -0.15 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 71.14 1g91 s THR 44 CO 0.05 -0.21 1.84 1.17 -0.54 0.00 0.00 174.62 176.93 1g91 n LYS 45 N -3.64 0.21 -0.02 3.99 4.81 -1.25 -3.92 118.16 118.33 1g91 n LYS 45 Ca 0.07 0.06 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1g91 n LYS 45 Cb 0.58 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 34.12 1g91 n LYS 45 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1g91 h LYS 46 N 0.00 0.00 0.00 1.64 3.11 -1.91 -3.49 116.57 115.92 1g91 h LYS 46 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1g91 h LYS 46 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 1g91 h LYS 46 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.05 1g91 n GLY 47 N 1.80 -0.41 2.90 5.01 0.00 -1.25 -5.16 105.19 108.07 1g91 n GLY 47 Ca -0.01 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.05 -0.10 1.61 6.06 -1.26 -5.00 118.95 120.32 1g91 s ARG 48 Ca 0.00 0.15 0.03 0.00 -2.50 0.00 0.00 55.73 53.41 1g91 s ARG 48 Cb 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 34.95 34.96 1g91 s ARG 48 CO 0.00 -0.07 -0.21 -0.98 -2.50 0.00 0.00 175.30 171.55 1g91 s ARG 49 N 0.42 2.72 0.09 5.12 3.03 -1.26 -1.56 118.95 127.52 1g91 s ARG 49 Ca -0.03 -0.76 0.03 0.00 2.03 0.00 0.00 55.73 57.00 1g91 s ARG 49 Cb -0.05 -2.12 -0.04 0.00 -1.03 0.00 0.00 34.95 31.72 1g91 s ARG 49 CO -0.02 0.10 -0.09 -0.59 -1.13 0.00 0.00 175.30 173.57 1g91 s PHE 50 N 0.53 1.01 0.26 5.89 -0.71 -1.00 -4.93 117.98 119.03 1g91 s PHE 50 Ca -0.15 -0.68 -0.11 0.00 -1.04 0.00 0.00 56.93 54.94 1g91 s PHE 50 Cb -0.17 -0.56 -0.08 0.00 -1.21 0.00 0.00 43.02 41.01 1g91 s PHE 50 CO 0.06 -0.03 0.62 0.00 -1.34 0.00 0.00 175.22 174.52 1g91 s ALA 52 N -1.88 -0.18 0.29 0.00 0.00 0.85 -2.36 121.76 118.48 1g91 s ALA 52 Ca 0.50 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 1g91 s ALA 52 Cb -0.11 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 1g91 s ALA 52 CO 0.20 -0.18 1.26 1.21 0.00 0.00 0.00 175.76 178.25 1g91 s ASN 53 N -1.28 6.92 0.00 0.00 3.84 -1.26 -2.24 114.94 120.92 1g91 s ASN 53 Ca -0.14 2.53 0.25 0.00 0.21 0.00 0.00 52.86 55.71 1g91 s ASN 53 Cb -0.08 -2.64 1.43 0.00 -0.55 0.00 0.00 41.25 39.41 1g91 s ASN 53 CO 0.01 -0.43 1.86 -0.81 -2.79 0.00 0.00 177.10 174.93 1g91 n PRO 54 N 1.25 0.65 0.00 0.43 -0.04 -1.26 -2.55 135.00 133.49 1g91 n PRO 54 Ca 0.01 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1g91 n PRO 54 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.09 1.51 -4.71 3.54 7.64 -1.26 -4.75 113.62 114.49 1g91 n SER 55 Ca 0.17 -1.25 -0.42 0.00 1.01 0.00 0.00 58.87 58.37 1g91 n SER 55 Cb 0.12 0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.32 6.87 0.39 6.43 2.15 -1.06 -4.88 116.67 125.26 1g91 s ASP 56 Ca 0.11 2.26 0.14 0.00 0.43 0.00 0.00 52.55 55.48 1g91 s ASP 56 Cb 0.09 -2.58 0.97 0.00 -0.30 0.00 0.00 42.92 41.10 1g91 s ASP 56 CO 0.24 -0.62 1.87 0.07 -0.17 0.00 0.00 175.17 176.56 1g91 h LYS 57 N 6.85 0.51 -0.00 4.34 2.10 -1.93 0.49 116.57 128.92 1g91 h LYS 57 Ca -0.42 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.16 1g91 h LYS 57 Cb 1.21 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1g91 h LYS 57 CO 0.86 0.34 -0.19 0.37 -2.00 0.00 0.00 179.45 178.82 1g91 h GLN 58 N 0.53 0.01 0.15 0.07 4.15 -1.94 -0.17 115.11 117.90 1g91 h GLN 58 Ca 0.44 -0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.57 1g91 h GLN 58 Cb 0.92 -0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.63 1g91 h GLN 58 CO -0.18 0.20 -1.29 0.28 -1.93 0.00 0.00 178.83 175.91 1g91 h VAL 59 N 0.01 1.39 -0.22 2.39 2.07 -0.36 -2.53 116.25 118.99 1g91 h VAL 59 Ca -0.00 -2.79 -0.09 0.00 0.82 0.00 0.00 66.70 64.64 1g91 h VAL 59 Cb 0.35 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1g91 h VAL 59 CO 0.03 0.83 -0.25 1.56 0.02 0.00 0.00 177.57 179.75 1g91 h GLN 60 N 0.15 0.42 -0.17 1.57 4.20 -0.64 0.27 115.11 120.90 1g91 h GLN 60 Ca -0.18 -0.15 -0.20 0.00 0.06 0.00 0.00 58.65 58.18 1g91 h GLN 60 Cb 1.99 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.74 1g91 h GLN 60 CO 0.23 0.64 -0.70 0.28 -0.67 0.00 0.00 178.83 178.61 1g91 h VAL 61 N 0.37 1.30 -0.02 -0.54 2.07 -1.06 -2.83 116.25 115.53 1g91 h VAL 61 Ca 0.06 -1.94 -0.20 0.00 0.82 0.00 0.00 66.70 65.44 1g91 h VAL 61 Cb 0.65 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1g91 h VAL 61 CO 0.05 0.61 -0.84 0.00 0.02 0.00 0.00 177.57 177.41 1g91 h MET 63 N 0.20 -0.49 -0.47 0.00 2.07 -0.44 0.27 114.93 116.07 1g91 h MET 63 Ca -0.05 0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.58 1g91 h MET 63 Cb 1.45 0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 31.27 1g91 h MET 63 CO 0.14 -0.32 0.17 -0.09 1.07 0.00 0.00 176.91 177.87 1g91 h ARG 64 N -0.50 0.71 0.70 1.72 9.65 -1.55 -3.15 114.38 121.95 1g91 h ARG 64 Ca -0.03 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.68 1g91 h ARG 64 Cb 0.42 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1g91 h ARG 64 CO 0.03 0.66 -0.49 1.98 2.80 0.00 0.00 179.97 184.95 1g91 h MET 65 N 0.62 -1.10 -3.02 0.20 4.05 -1.10 -2.80 114.93 111.79 1g91 h MET 65 Ca 0.15 0.07 -0.33 0.00 -0.28 0.00 0.00 59.70 59.32 1g91 h MET 65 Cb 0.23 0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1g91 h MET 65 CO -0.01 -0.73 1.89 1.28 0.23 0.00 0.00 176.91 179.57 1g91 n LEU 66 N -5.60 4.97 0.00 3.39 4.77 0.92 -4.68 117.00 120.76 1g91 n LEU 66 Ca -0.14 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 1g91 n LEU 66 Cb 0.49 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1g91 n LEU 66 CO 0.32 0.93 0.28 1.17 -1.33 0.00 0.00 177.39 178.76 1g91 n LYS 67 N 3.61 0.00 -1.55 3.23 4.81 -1.06 -3.88 118.16 123.33 1g91 n LYS 67 Ca 0.44 0.26 -0.22 0.00 -0.87 0.00 0.00 58.31 57.91 1g91 n LYS 67 Cb 0.30 -1.06 -0.08 0.00 0.02 0.00 0.00 35.03 34.21 1g91 n LYS 67 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1g91 n LEU 68 N -0.91 1.57 -1.02 3.14 7.99 -1.26 -4.68 117.00 121.82 1g91 n LEU 68 Ca 0.00 -1.03 0.09 0.00 -0.01 0.00 0.00 56.01 55.06 1g91 n LEU 68 Cb 0.00 -1.50 0.25 0.00 -0.11 0.00 0.00 43.42 42.06 1g91 n LEU 68 CO 0.00 -2.12 0.71 0.47 -1.51 0.00 0.00 177.39 174.94 1g91 n ASP 69 N 16.26 2.97 -3.47 -1.43 9.92 -1.25 -4.53 116.55 135.02 1g91 n ASP 69 Ca 0.47 -2.00 -0.27 0.00 -0.53 0.00 0.00 54.79 52.47 1g91 n ASP 69 Cb 0.42 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.44 1g91 n ASP 69 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1g91 n THR 70 N 1.12 0.06 -1.23 -3.53 5.66 -1.26 -4.93 114.28 110.17 1g91 n THR 70 Ca 0.19 -4.14 0.00 0.00 -3.05 0.00 0.00 64.05 57.04 1g91 n THR 70 Cb 0.47 -1.91 0.00 0.00 -1.55 0.00 0.00 70.33 67.34 1g91 n THR 70 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1g91 n ARG 71 N 2.03 -3.53 -3.38 1.09 0.00 -1.26 -4.80 116.66 106.82 1g91 n ARG 71 Ca 0.26 2.63 -0.35 0.00 -0.00 0.00 0.00 57.85 60.38 1g91 n ARG 71 Cb 0.45 -2.95 -0.05 0.00 0.00 0.00 0.00 32.46 29.91 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 -0.87 3.53 -2.95 5.15 5.41 -1.26 -4.95 119.36 123.42 1g91 n ILE 72 Ca 0.00 -5.40 -0.44 0.00 1.00 0.00 0.00 62.75 57.91 1g91 n ILE 72 Cb 0.00 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 36.73 1g91 n ILE 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1g91 n LYS 73 N 1.53 3.61 -4.44 0.38 4.81 -1.26 -4.98 118.16 117.81 1g91 n LYS 73 Ca 0.26 -4.05 -0.30 0.00 -0.87 0.00 0.00 58.31 53.35 1g91 n LYS 73 Cb 0.37 -2.82 -0.12 0.00 0.02 0.00 0.00 35.03 32.49 1g91 n LYS 73 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1g91 s THR 74 N -0.02 2.76 -0.54 3.15 2.01 -1.26 -5.09 115.64 116.66 1g91 s THR 74 Ca 0.37 -1.42 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1g91 s THR 74 Cb -0.01 -2.23 0.14 0.00 0.01 0.00 0.00 72.50 70.41 1g91 s THR 74 CO -0.01 0.18 0.32 0.00 -0.69 0.00 0.00 174.62 174.42 1g91 s ARG 75 N -1.88 1.88 0.00 4.92 1.70 -1.26 -4.83 118.95 119.47 1g91 s ARG 75 Ca 0.16 -2.63 0.00 0.00 -0.47 0.00 0.00 55.73 52.79 1g91 s ARG 75 Cb -0.10 -3.02 0.00 0.00 -0.57 0.00 0.00 34.95 31.25 1g91 s ARG 75 CO 0.08 -1.18 0.00 1.17 -1.08 0.00 0.00 175.30 174.29 1g91 n LYS 76 N 2.92 0.00 0.00 3.89 4.81 -1.26 -5.37 118.16 123.15 1g91 n LYS 76 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1g91 n LYS 76 Cb 0.34 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.33 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86