#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 -4.49 -4.56 7.83 9.92 -1.26 -4.94 116.55 119.06 1g91 n ASP 2 Ca 0.00 -0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 1g91 n ASP 2 Cb 0.00 -3.63 -0.04 0.00 -0.64 0.00 0.00 41.12 36.82 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1g91 s ARG 3 N -4.69 3.50 -0.11 -1.24 3.52 -1.26 -5.02 118.95 113.66 1g91 s ARG 3 Ca 0.00 0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.67 1g91 s ARG 3 Cb 0.00 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 1g91 s ARG 3 CO 0.00 -1.37 0.06 -0.06 -0.81 0.00 0.00 175.30 173.12 1g91 s PHE 4 N 4.04 3.33 -0.29 5.12 0.08 -1.26 -5.08 117.98 123.92 1g91 s PHE 4 Ca 0.37 0.31 -0.08 0.00 0.12 0.00 0.00 56.93 57.65 1g91 s PHE 4 Cb -0.10 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1g91 s PHE 4 CO 0.25 0.55 0.10 -1.01 -0.10 0.00 0.00 175.22 175.01 1g91 s HIS 5 N -0.84 3.14 0.60 0.36 3.76 -1.26 -4.94 115.29 116.10 1g91 s HIS 5 Ca 0.13 -0.70 0.29 0.00 -0.15 0.00 0.00 55.06 54.63 1g91 s HIS 5 Cb -0.12 -2.28 1.56 0.00 1.11 0.00 0.00 32.58 32.85 1g91 s HIS 5 CO 0.03 -0.48 1.97 0.00 -0.85 0.00 0.00 174.74 175.40 1g91 h ALA 6 N 8.27 1.94 -2.33 -1.40 0.00 -1.98 -3.40 119.26 120.36 1g91 h ALA 6 Ca -0.33 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.07 1g91 h ALA 6 Cb 1.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1g91 h ALA 6 CO 0.60 -0.52 -0.35 0.99 0.00 0.00 0.00 179.25 179.97 1g91 s THR 7 N -4.56 5.22 -0.14 0.00 2.01 -1.26 -5.03 115.64 111.88 1g91 s THR 7 Ca -0.04 -0.67 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 1g91 s THR 7 Cb 0.15 -3.81 -0.24 0.00 0.01 0.00 0.00 72.50 68.60 1g91 s THR 7 CO 0.51 -0.31 0.71 -1.28 -0.69 0.00 0.00 174.62 173.56 1g91 h SER 8 N 1.41 0.00 -1.97 3.53 0.87 -2.05 -3.46 113.55 111.89 1g91 h SER 8 Ca -0.50 -0.93 -0.45 0.00 -1.23 0.00 0.00 61.79 58.68 1g91 h SER 8 Cb 1.21 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.22 1g91 h SER 8 CO 0.64 0.99 -0.06 0.00 -0.53 0.00 0.00 176.83 177.86 1g91 s ALA 9 N -2.24 4.11 0.00 6.23 0.00 -1.26 -5.03 121.76 123.57 1g91 s ALA 9 Ca -0.18 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1g91 s ALA 9 Cb -0.03 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1g91 s ALA 9 CO 0.65 -0.81 0.00 -3.47 0.00 0.00 0.00 175.76 172.13 1g91 n ASP 10 N -2.32 0.00 -4.77 0.00 2.03 -1.26 -5.07 116.55 105.15 1g91 n ASP 10 Ca 0.10 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.04 1g91 n ASP 10 Cb 0.60 0.07 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 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 1.31 0.00 -3.39 0.00 5.41 -1.26 -4.83 119.36 116.61 1g91 n ILE 13 Ca -0.14 -0.25 -0.04 0.00 1.00 0.00 0.00 62.75 63.32 1g91 n ILE 13 Cb 0.53 0.69 -0.06 0.00 -0.71 0.00 0.00 39.64 40.09 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1g91 s SER 14 N -2.53 -0.55 0.95 4.38 0.15 -1.26 -5.16 113.70 109.68 1g91 s SER 14 Ca 0.01 0.76 -0.16 0.00 0.70 0.00 0.00 55.95 57.26 1g91 s SER 14 Cb 0.08 1.65 0.19 0.00 -1.71 0.00 0.00 66.02 66.22 1g91 s SER 14 CO 0.44 -0.26 1.31 -0.31 1.20 0.00 0.00 173.24 175.62 1g91 s TYR 15 N 2.70 1.73 -0.20 3.44 2.02 -1.26 -4.81 117.35 120.96 1g91 s TYR 15 Ca 0.10 0.36 -0.25 0.00 -0.37 0.00 0.00 57.07 56.91 1g91 s TYR 15 Cb -0.14 -4.06 -0.01 0.00 -0.40 0.00 0.00 41.96 37.34 1g91 s TYR 15 CO -0.17 -2.57 0.82 -0.08 -1.57 0.00 0.00 175.55 171.98 1g91 s THR 16 N -3.86 4.87 -1.31 -0.71 -1.32 -1.04 -4.95 115.64 107.32 1g91 s THR 16 Ca 0.73 1.58 -0.17 0.00 -1.21 0.00 0.00 61.69 62.62 1g91 s THR 16 Cb -0.04 -4.12 0.02 0.00 -1.51 0.00 0.00 72.50 66.84 1g91 s THR 16 CO 0.53 -0.02 2.02 -0.81 -2.21 0.00 0.00 174.62 174.13 1g91 n PRO 17 N 5.58 2.71 -3.48 7.08 -0.04 -1.26 -4.86 135.00 140.74 1g91 n PRO 17 Ca 0.05 -2.71 -0.15 0.00 -0.04 0.00 0.00 63.50 60.64 1g91 n PRO 17 Cb 0.48 -3.34 -0.04 0.00 -0.04 0.00 0.00 33.50 30.56 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 3.97 1.15 -1.14 0.54 0.52 -1.26 -5.08 118.95 117.65 1g91 s ARG 18 Ca 0.52 -0.08 -0.13 0.00 -0.52 0.00 0.00 55.73 55.53 1g91 s ARG 18 Cb 0.10 0.54 0.20 0.00 0.52 0.00 0.00 34.95 36.31 1g91 s ARG 18 CO 0.00 -0.43 1.27 -1.12 0.02 0.00 0.00 175.30 175.05 1g91 s SER 19 N -1.91 7.10 0.05 0.23 0.01 -1.26 -5.01 113.70 112.92 1g91 s SER 19 Ca -0.05 -3.10 -0.30 0.00 1.31 0.00 0.00 55.95 53.81 1g91 s SER 19 Cb -0.00 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1g91 s SER 19 CO -0.01 -0.62 0.95 -0.63 0.41 0.00 0.00 173.24 173.35 1g91 s ILE 20 N 0.68 4.71 0.50 1.44 1.01 -1.26 -5.03 121.20 123.25 1g91 s ILE 20 Ca 0.37 2.03 -0.18 0.00 0.00 0.00 0.00 60.65 62.87 1g91 s ILE 20 Cb -0.06 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 1g91 s ILE 20 CO -0.04 0.24 0.99 -2.16 0.00 0.00 0.00 174.94 173.97 1g91 s PRO 21 N 0.52 3.94 0.43 2.79 0.04 -1.26 -4.96 135.00 136.50 1g91 s PRO 21 Ca 0.49 1.06 0.18 0.00 0.04 0.00 0.00 61.00 62.76 1g91 s PRO 21 Cb -0.22 -2.13 0.98 0.00 0.04 0.00 0.00 34.50 33.17 1g91 s PRO 21 CO 0.28 -0.28 1.92 0.00 0.04 0.00 0.00 177.00 178.96 1g91 h SER 23 N 0.00 0.00 -0.64 0.00 4.64 -2.03 1.92 113.55 117.44 1g91 h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g91 h SER 23 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1g91 h SER 23 CO 0.03 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.88 1g91 n LEU 24 N -3.94 4.76 -4.09 5.97 0.00 -0.96 -4.88 117.00 113.86 1g91 n LEU 24 Ca 0.21 -2.47 -0.28 0.00 0.00 0.00 0.00 56.01 53.47 1g91 n LEU 24 Cb 1.14 -0.58 -0.17 0.00 0.00 0.00 0.00 43.42 43.81 1g91 n LEU 24 CO 0.35 0.81 -0.50 -0.76 0.00 0.00 0.00 177.39 177.28 1g91 s LEU 25 N -1.88 1.81 -0.04 -1.96 1.43 0.65 -3.53 118.68 115.16 1g91 s LEU 25 Ca 0.51 -0.43 0.16 0.00 -1.03 0.00 0.00 54.13 53.35 1g91 s LEU 25 Cb 0.33 -1.10 -0.21 0.00 0.03 0.00 0.00 46.19 45.24 1g91 s LEU 25 CO 0.24 0.06 0.56 -1.84 0.23 0.00 0.00 176.35 175.61 1g91 n GLU 26 N 3.88 0.64 -3.81 1.70 0.28 -0.38 -4.92 120.64 118.04 1g91 n GLU 26 Ca -0.20 0.15 -0.01 0.00 -0.16 0.00 0.00 57.16 56.93 1g91 n GLU 26 Cb 0.52 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.69 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1g91 s SER 27 N -5.68 -0.05 0.18 -1.84 1.04 -1.23 -5.04 113.70 101.08 1g91 s SER 27 Ca -0.06 -0.41 -0.23 0.00 0.48 0.00 0.00 55.95 55.73 1g91 s SER 27 Cb 0.08 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1g91 s SER 27 CO 0.83 -0.71 0.63 -0.72 0.98 0.00 0.00 173.24 174.25 1g91 s TYR 28 N -2.49 -0.47 0.20 5.02 -0.85 -1.26 -0.70 117.35 116.81 1g91 s TYR 28 Ca 0.19 0.21 -0.09 0.00 -0.52 0.00 0.00 57.07 56.86 1g91 s TYR 28 Cb -0.00 0.59 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 1g91 s TYR 28 CO 0.02 -0.92 0.33 -0.59 -1.52 0.00 0.00 175.55 172.86 1g91 s PHE 29 N -3.78 0.51 0.47 -3.49 -0.71 0.21 -4.96 117.98 106.22 1g91 s PHE 29 Ca 0.03 -0.85 0.05 0.00 -1.04 0.00 0.00 56.93 55.13 1g91 s PHE 29 Cb -0.02 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1g91 s PHE 29 CO -0.09 -0.80 0.64 -1.21 -1.34 0.00 0.00 175.22 172.42 1g91 s GLU 30 N -4.02 2.73 0.59 1.99 2.02 -1.26 0.40 118.70 121.16 1g91 s GLU 30 Ca 0.22 -1.06 0.10 0.00 0.02 0.00 0.00 54.97 54.25 1g91 s GLU 30 Cb 0.03 -2.66 0.10 0.00 0.10 0.00 0.00 34.13 31.69 1g91 s GLU 30 CO 0.05 -0.42 0.82 0.95 0.02 0.00 0.00 175.26 176.67 1g91 s THR 31 N -2.50 2.04 -0.45 3.63 -4.23 -0.35 -4.82 115.64 108.96 1g91 s THR 31 Ca 0.56 -1.00 -0.28 0.00 -1.18 0.00 0.00 61.69 59.79 1g91 s THR 31 Cb -0.10 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1g91 s THR 31 CO 0.35 0.00 1.78 0.20 -0.54 0.00 0.00 174.62 176.41 1g91 s ASN 32 N -4.70 5.68 0.61 3.99 0.01 -1.26 -4.80 114.94 114.47 1g91 s ASN 32 Ca 0.62 0.86 0.26 0.00 -0.71 0.00 0.00 52.86 53.89 1g91 s ASN 32 Cb -0.05 -2.53 1.20 0.00 0.41 0.00 0.00 41.25 40.28 1g91 s ASN 32 CO 0.40 -1.96 1.62 -1.28 -1.51 0.00 0.00 177.10 174.37 1g91 h SER 33 N 13.52 0.00 -0.96 -1.22 0.87 -1.96 0.37 113.55 124.16 1g91 h SER 33 Ca -0.30 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 60.56 1g91 h SER 33 Cb 1.16 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.97 1g91 h SER 33 CO 1.11 0.00 0.46 -0.33 -0.53 0.00 0.00 176.83 177.54 1g91 h GLU 34 N 0.00 0.28 -6.57 2.24 5.08 -2.01 -3.38 114.58 110.21 1g91 h GLU 34 Ca 0.29 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 58.10 1g91 h GLU 34 Cb 1.85 -0.06 0.04 0.00 0.50 0.00 0.00 28.75 31.07 1g91 h GLU 34 CO -0.00 0.19 0.94 0.00 -1.00 0.00 0.00 179.01 179.13 1g91 h SER 36 N 7.25 0.08 -3.40 0.00 4.64 -1.89 -3.07 113.55 117.16 1g91 h SER 36 Ca -0.43 0.01 -0.63 0.00 -0.47 0.00 0.00 61.79 60.27 1g91 h SER 36 Cb 1.20 -0.01 -0.41 0.00 -0.31 0.00 0.00 62.40 62.88 1g91 h SER 36 CO 0.93 0.03 -0.55 -0.54 -0.87 0.00 0.00 176.83 175.83 1g91 s LYS 37 N -5.07 2.42 0.49 4.77 1.02 -1.26 -5.08 119.74 117.04 1g91 s LYS 37 Ca -0.06 -3.19 -0.08 0.00 0.02 0.00 0.00 55.97 52.66 1g91 s LYS 37 Cb 0.21 -3.44 0.12 0.00 -0.52 0.00 0.00 37.83 34.20 1g91 s LYS 37 CO 0.77 -1.25 0.61 -0.35 -0.92 0.00 0.00 175.35 174.21 1g91 n PRO 38 N 2.24 -0.93 0.00 -1.68 -0.04 -1.16 -4.40 135.00 129.03 1g91 n PRO 38 Ca 0.17 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1g91 n PRO 38 Cb 0.35 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 1g91 n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g91 n GLY 39 N 0.45 -0.92 3.44 0.55 0.00 -1.26 -4.85 105.19 102.60 1g91 n GLY 39 Ca 0.08 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 2.80 -0.09 1.61 1.01 -1.03 -1.21 120.40 121.47 1g91 s VAL 40 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1g91 s VAL 40 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1g91 s VAL 40 CO 0.00 0.47 -0.08 -0.63 0.00 0.00 0.00 175.10 174.86 1g91 s ILE 41 N -0.80 3.56 -0.10 2.22 1.01 0.16 0.88 121.20 128.13 1g91 s ILE 41 Ca 0.13 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1g91 s ILE 41 Cb -0.10 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1g91 s ILE 41 CO 0.02 0.56 -0.18 -0.36 0.00 0.00 0.00 174.94 174.99 1g91 s PHE 42 N -0.35 2.67 -0.14 3.97 0.40 0.37 -0.62 117.98 124.27 1g91 s PHE 42 Ca 0.05 -0.66 -0.07 0.00 -0.60 0.00 0.00 56.93 55.65 1g91 s PHE 42 Cb -0.12 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1g91 s PHE 42 CO 0.02 -0.19 0.09 -1.17 0.70 0.00 0.00 175.22 174.68 1g91 s LEU 43 N 0.07 4.06 0.46 -0.37 2.96 0.13 -2.36 118.68 123.63 1g91 s LEU 43 Ca -0.08 0.27 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1g91 s LEU 43 Cb -0.15 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1g91 s LEU 43 CO 0.05 0.30 0.54 0.42 -1.32 0.00 0.00 176.35 176.35 1g91 s THR 44 N -0.39 2.64 -2.00 3.68 -4.23 -0.78 -1.25 115.64 113.31 1g91 s THR 44 Ca 0.10 -1.14 0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1g91 s THR 44 Cb -0.12 -2.78 0.50 0.00 1.34 0.00 0.00 72.50 71.44 1g91 s THR 44 CO 0.02 0.00 1.65 1.17 -0.54 0.00 0.00 174.62 176.91 1g91 n LYS 45 N -1.83 0.97 -1.07 3.99 0.00 -1.23 -3.24 118.16 115.75 1g91 n LYS 45 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.26 1g91 n LYS 45 Cb 0.61 -1.28 0.25 0.00 0.00 0.00 0.00 35.03 34.60 1g91 n LYS 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1g91 n LYS 46 N -0.78 2.97 -2.33 1.64 3.00 -1.26 -4.88 118.16 116.52 1g91 n LYS 46 Ca 0.13 -3.06 -0.18 0.00 -0.00 0.00 0.00 58.31 55.19 1g91 n LYS 46 Cb 0.06 -2.16 -0.02 0.00 0.00 0.00 0.00 35.03 32.92 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1g91 n GLY 47 N -0.64 -0.28 3.66 3.14 0.00 -1.20 -4.96 105.19 104.91 1g91 n GLY 47 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.90 2.31 -0.14 1.61 6.06 -1.26 -4.99 118.95 117.64 1g91 s ARG 48 Ca 0.00 -1.45 -0.09 0.00 -2.50 0.00 0.00 55.73 51.68 1g91 s ARG 48 Cb 0.00 -2.16 0.05 0.00 0.06 0.00 0.00 34.95 32.90 1g91 s ARG 48 CO 0.00 0.31 0.36 -0.98 -2.50 0.00 0.00 175.30 172.49 1g91 s ARG 49 N -3.71 0.36 0.06 5.12 1.70 -1.26 -1.87 118.95 119.35 1g91 s ARG 49 Ca 0.33 0.63 -0.03 0.00 -0.47 0.00 0.00 55.73 56.19 1g91 s ARG 49 Cb -0.05 0.03 -0.03 0.00 -0.57 0.00 0.00 34.95 34.33 1g91 s ARG 49 CO 0.20 -0.12 0.02 -0.59 -1.08 0.00 0.00 175.30 173.73 1g91 s PHE 50 N 0.95 0.43 0.33 5.89 -0.12 -0.99 -4.97 117.98 119.50 1g91 s PHE 50 Ca -0.06 -0.94 -0.00 0.00 -0.05 0.00 0.00 56.93 55.87 1g91 s PHE 50 Cb -0.07 -0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1g91 s PHE 50 CO -0.07 -0.41 0.54 0.00 -0.05 0.00 0.00 175.22 175.23 1g91 s ALA 52 N -2.25 0.22 0.19 0.00 0.00 0.25 -2.48 121.76 117.69 1g91 s ALA 52 Ca 0.40 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1g91 s ALA 52 Cb -0.10 0.26 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 1g91 s ALA 52 CO 0.35 -0.32 0.89 1.21 0.00 0.00 0.00 175.76 177.89 1g91 s ASN 53 N -2.39 7.54 0.00 0.00 3.84 -1.26 -2.47 114.94 120.20 1g91 s ASN 53 Ca -0.01 1.82 0.25 0.00 0.21 0.00 0.00 52.86 55.14 1g91 s ASN 53 Cb 0.02 -2.57 1.42 0.00 -0.55 0.00 0.00 41.25 39.57 1g91 s ASN 53 CO -0.07 0.13 1.87 -0.81 -2.79 0.00 0.00 177.10 175.43 1g91 n PRO 54 N 1.76 0.63 0.00 0.43 -0.04 -1.26 -2.57 135.00 133.95 1g91 n PRO 54 Ca -0.02 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1g91 n PRO 54 Cb 0.48 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.11 1.82 -4.74 3.54 7.64 -1.26 -4.80 113.62 114.71 1g91 n SER 55 Ca 0.16 -1.41 -0.41 0.00 1.01 0.00 0.00 58.87 58.22 1g91 n SER 55 Cb 0.13 0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.95 7.23 0.34 6.43 -1.08 -1.06 -4.92 116.67 121.65 1g91 s ASP 56 Ca 0.15 2.12 0.04 0.00 -0.52 0.00 0.00 52.55 54.34 1g91 s ASP 56 Cb 0.14 -2.60 0.62 0.00 -1.46 0.00 0.00 42.92 39.61 1g91 s ASP 56 CO 0.41 -0.25 1.91 0.07 0.52 0.00 0.00 175.17 177.83 1g91 h LYS 57 N 5.12 0.59 0.00 4.34 -0.00 -1.92 -1.42 116.57 123.28 1g91 h LYS 57 Ca -0.44 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.65 60.06 1g91 h LYS 57 Cb 1.21 -0.10 -0.01 0.00 -0.00 0.00 0.00 32.23 33.34 1g91 h LYS 57 CO 0.73 0.55 -0.23 0.37 -0.00 0.00 0.00 179.45 180.87 1g91 h GLN 58 N 0.58 0.00 0.01 0.07 5.75 -1.95 -1.17 115.11 118.39 1g91 h GLN 58 Ca 0.13 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.43 1g91 h GLN 58 Cb 0.23 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.80 1g91 h GLN 58 CO -0.00 0.23 -0.79 0.28 -2.65 0.00 0.00 178.83 175.90 1g91 h VAL 59 N 0.00 1.37 -0.23 2.39 2.07 -1.56 -2.06 116.25 118.24 1g91 h VAL 59 Ca -0.00 -2.17 -0.06 0.00 0.82 0.00 0.00 66.70 65.29 1g91 h VAL 59 Cb 0.43 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1g91 h VAL 59 CO 0.03 0.65 -0.14 1.56 0.02 0.00 0.00 177.57 179.68 1g91 h GLN 60 N 0.07 0.37 0.00 1.57 4.20 -1.11 -1.47 115.11 118.75 1g91 h GLN 60 Ca -0.10 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1g91 h GLN 60 Cb 1.48 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.20 1g91 h GLN 60 CO 0.15 0.52 -0.71 0.28 -0.67 0.00 0.00 178.83 178.40 1g91 h VAL 61 N 0.35 1.45 -0.03 -0.54 2.07 -1.22 -3.15 116.25 115.19 1g91 h VAL 61 Ca 0.07 -2.50 -0.22 0.00 0.82 0.00 0.00 66.70 64.87 1g91 h VAL 61 Cb 0.46 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1g91 h VAL 61 CO 0.03 0.70 -0.90 0.00 0.02 0.00 0.00 177.57 177.42 1g91 h MET 63 N 0.29 0.00 0.21 0.00 -0.00 -1.28 0.14 114.93 114.29 1g91 h MET 63 Ca -0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 59.29 1g91 h MET 63 Cb 1.52 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 33.14 1g91 h MET 63 CO 0.16 0.10 -1.58 0.00 -0.00 0.00 0.00 176.91 175.60 1g91 h ARG 64 N 0.00 0.44 0.01 -0.10 2.47 -1.49 -3.10 114.38 112.60 1g91 h ARG 64 Ca -0.00 -0.75 -0.24 0.00 -1.26 0.00 0.00 59.98 57.73 1g91 h ARG 64 Cb 0.34 0.28 0.01 0.00 -1.65 0.00 0.00 29.97 28.95 1g91 h ARG 64 CO 0.01 1.35 -1.00 1.98 0.56 0.00 0.00 179.97 182.87 1g91 h MET 65 N 0.12 0.51 0.00 0.04 4.05 -1.21 -2.96 114.93 115.47 1g91 h MET 65 Ca -0.28 -0.56 0.00 0.00 -0.28 0.00 0.00 59.70 58.58 1g91 h MET 65 Cb 2.12 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 33.08 1g91 h MET 65 CO 0.22 1.19 0.00 1.28 0.23 0.00 0.00 176.91 179.83 1g91 n LEU 66 N -3.77 0.00 -4.51 3.39 7.99 0.47 -4.71 117.00 115.85 1g91 n LEU 66 Ca -0.08 0.24 -0.29 0.00 -0.01 0.00 0.00 56.01 55.86 1g91 n LEU 66 Cb 0.86 -0.24 0.24 0.00 -0.11 0.00 0.00 43.42 44.18 1g91 n LEU 66 CO 0.53 -0.08 0.54 -0.54 -1.51 0.00 0.00 177.39 176.33 1g91 s LYS 67 N -2.47 -1.06 -1.19 3.23 1.02 -1.12 -4.80 119.74 113.36 1g91 s LYS 67 Ca 0.22 0.47 -0.22 0.00 0.02 0.00 0.00 55.97 56.46 1g91 s LYS 67 Cb 0.14 -1.57 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 1g91 s LYS 67 CO 0.30 -3.72 1.89 -0.51 -0.92 0.00 0.00 175.35 172.39 1g91 s LEU 68 N -7.12 3.21 0.00 3.17 1.43 -1.26 -4.68 118.68 113.42 1g91 s LEU 68 Ca 0.68 -1.76 0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1g91 s LEU 68 Cb -0.19 -2.59 0.77 0.00 0.03 0.00 0.00 46.19 44.22 1g91 s LEU 68 CO 0.60 -2.69 1.45 0.47 0.23 0.00 0.00 176.35 176.41 1g91 n ASP 69 N 13.20 0.00 -2.70 2.29 9.92 -1.26 -4.94 116.55 133.06 1g91 n ASP 69 Ca 0.45 0.11 -0.04 0.00 -0.53 0.00 0.00 54.79 54.78 1g91 n ASP 69 Cb 0.47 -0.31 -0.04 0.00 -0.64 0.00 0.00 41.12 40.60 1g91 n ASP 69 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1g91 n THR 70 N -1.31-11.04 -1.48 -3.53 -2.24 -1.26 -4.91 114.28 88.50 1g91 n THR 70 Ca 0.07 2.27 -0.03 0.00 -2.27 0.00 0.00 64.05 64.09 1g91 n THR 70 Cb 0.13 -6.00 0.20 0.00 -2.10 0.00 0.00 70.33 62.56 1g91 n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1g91 n ARG 71 N 1.69 1.80 -2.95 -0.78 1.74 -1.26 -5.00 116.66 111.90 1g91 n ARG 71 Ca -0.31 -3.22 -0.11 0.00 -0.77 0.00 0.00 57.85 53.45 1g91 n ARG 71 Cb 0.49 -1.79 0.01 0.00 -1.02 0.00 0.00 32.46 30.15 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1g91 n ILE 72 N -1.13 -9.60 -4.45 0.55 5.41 -1.26 -5.02 119.36 103.86 1g91 n ILE 72 Ca 0.32 0.96 -0.25 0.00 1.00 0.00 0.00 62.75 64.78 1g91 n ILE 72 Cb 1.00 -6.35 -0.11 0.00 -0.71 0.00 0.00 39.64 33.47 1g91 n ILE 72 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1g91 s LYS 73 N -2.27 1.61 0.34 0.38 2.20 -1.26 -5.15 119.74 115.60 1g91 s LYS 73 Ca 0.20 -1.68 0.08 0.00 -0.36 0.00 0.00 55.97 54.21 1g91 s LYS 73 Cb -0.05 -1.77 -0.05 0.00 -1.51 0.00 0.00 37.83 34.46 1g91 s LYS 73 CO 0.74 0.35 0.10 0.95 -0.36 0.00 0.00 175.35 177.13 1g91 s THR 74 N -2.26 2.91 0.25 3.43 -4.23 -1.26 -5.14 115.64 109.34 1g91 s THR 74 Ca 0.27 -1.79 -0.08 0.00 -1.18 0.00 0.00 61.69 58.91 1g91 s THR 74 Cb -0.06 -2.92 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1g91 s THR 74 CO 0.13 -0.19 0.38 0.00 -0.54 0.00 0.00 174.62 174.39 1g91 s ARG 75 N -3.80 1.51 0.38 3.99 1.70 -1.26 -5.08 118.95 116.38 1g91 s ARG 75 Ca 0.37 -1.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1g91 s ARG 75 Cb -0.02 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1g91 s ARG 75 CO 0.21 -0.59 0.00 1.17 -1.08 0.00 0.00 175.30 175.01 1g91 n LYS 76 N -0.38 0.00 -0.62 3.89 4.81 -1.26 -5.37 118.16 119.23 1g91 n LYS 76 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1g91 n LYS 76 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86