#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 -1.40 -4.19 3.17 9.92 -1.26 -4.77 116.55 118.03 1g91 n ASP 2 Ca 0.00 0.88 -0.43 0.00 -0.53 0.00 0.00 54.79 54.72 1g91 n ASP 2 Cb 0.00 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1g91 n ASP 2 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1g91 n ARG 3 N 0.77 3.18 -0.62 -1.24 0.63 -1.26 -4.95 116.66 113.17 1g91 n ARG 3 Ca 0.12 -3.19 -0.04 0.00 -0.92 0.00 0.00 57.85 53.81 1g91 n ARG 3 Cb 0.40 -3.28 0.02 0.00 0.45 0.00 0.00 32.46 30.05 1g91 n ARG 3 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1g91 n PHE 4 N 6.57 -3.63 -4.27 -0.14 3.01 -1.26 -5.10 117.46 112.63 1g91 n PHE 4 Ca 0.47 -0.22 -0.23 0.00 1.01 0.00 0.00 57.45 58.47 1g91 n PHE 4 Cb 0.42 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.69 1g91 n PHE 4 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1g91 s HIS 5 N -0.81 2.74 -0.24 1.38 -3.43 -1.26 -5.04 115.29 108.63 1g91 s HIS 5 Ca 0.11 -0.20 0.04 0.00 -0.80 0.00 0.00 55.06 54.20 1g91 s HIS 5 Cb -0.00 -1.23 0.15 0.00 -1.43 0.00 0.00 32.58 30.06 1g91 s HIS 5 CO 0.07 0.60 1.02 0.00 -2.00 0.00 0.00 174.74 174.43 1g91 n ALA 6 N -0.82 -0.89 -2.64 -1.38 0.00 -1.26 -5.12 120.51 108.40 1g91 n ALA 6 Ca -0.07 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 1g91 n ALA 6 Cb 0.58 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 0.06 4.70 0.25 0.00 -4.23 -1.26 -4.91 115.64 110.25 1g91 s THR 7 Ca 0.06 1.59 -0.03 0.00 -1.18 0.00 0.00 61.69 62.12 1g91 s THR 7 Cb 0.15 -4.25 0.13 0.00 1.34 0.00 0.00 72.50 69.87 1g91 s THR 7 CO -0.04 -0.26 1.77 0.28 -0.54 0.00 0.00 174.62 175.83 1g91 h SER 8 N 7.89 0.86 -1.34 3.99 0.02 -2.05 -3.43 113.55 119.48 1g91 h SER 8 Ca -0.22 -0.18 -0.43 0.00 -0.84 0.00 0.00 61.79 60.12 1g91 h SER 8 Cb 1.08 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 63.41 1g91 h SER 8 CO 0.94 0.86 -0.24 0.00 -1.14 0.00 0.00 176.83 177.26 1g91 s ALA 9 N -5.15 4.55 0.12 3.77 0.00 -1.26 -5.05 121.76 118.75 1g91 s ALA 9 Ca -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1g91 s ALA 9 Cb 0.15 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1g91 s ALA 9 CO 0.82 -0.37 0.00 -3.47 0.00 0.00 0.00 175.76 172.74 1g91 n ASP 10 N -1.91 -0.13 -4.90 0.00 -0.08 -1.26 -5.11 116.55 103.17 1g91 n ASP 10 Ca 0.09 0.21 -0.21 0.00 -1.51 0.00 0.00 54.79 53.37 1g91 n ASP 10 Cb 0.59 0.22 -0.03 0.00 2.34 0.00 0.00 41.12 44.25 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 4.22 1.47 -4.01 0.00 0.00 -1.26 -4.92 119.36 114.87 1g91 n ILE 13 Ca 0.09 -0.49 -0.10 0.00 0.00 0.00 0.00 62.75 62.24 1g91 n ILE 13 Cb 0.48 -1.58 -0.11 0.00 0.00 0.00 0.00 39.64 38.43 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 -6.84 0.42 -0.15 9.51 0.15 -1.26 -5.14 113.70 110.39 1g91 s SER 14 Ca -0.36 -0.53 -0.03 0.00 0.70 0.00 0.00 55.95 55.73 1g91 s SER 14 Cb 0.11 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1g91 s SER 14 CO 0.55 -0.28 -0.04 -0.31 1.20 0.00 0.00 173.24 174.35 1g91 s TYR 15 N -1.53 3.02 -0.37 3.44 1.51 -1.26 -4.05 117.35 118.11 1g91 s TYR 15 Ca -0.13 -0.29 -0.36 0.00 -1.01 0.00 0.00 57.07 55.28 1g91 s TYR 15 Cb -0.09 -1.94 -0.12 0.00 -0.11 0.00 0.00 41.96 39.69 1g91 s TYR 15 CO -0.01 -0.02 2.20 -2.37 -1.11 0.00 0.00 175.55 174.24 1g91 n THR 16 N 3.46 0.17 -1.04 -0.71 5.66 -0.96 -4.76 114.28 116.10 1g91 n THR 16 Ca -0.17 -0.25 -0.25 0.00 -3.05 0.00 0.00 64.05 60.33 1g91 n THR 16 Cb 0.52 -1.57 -0.07 0.00 -1.55 0.00 0.00 70.33 67.66 1g91 n THR 16 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1g91 n PRO 17 N 8.17 2.65 -3.55 1.09 -0.04 -1.26 -4.80 135.00 137.26 1g91 n PRO 17 Ca 0.43 -1.55 -0.14 0.00 -0.04 0.00 0.00 63.50 62.19 1g91 n PRO 17 Cb 0.21 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.22 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 2.03 1.06 -0.71 0.54 1.81 -1.26 -5.10 118.95 117.31 1g91 s ARG 18 Ca 0.60 -0.16 -0.19 0.00 -1.72 0.00 0.00 55.73 54.25 1g91 s ARG 18 Cb 0.21 0.49 0.11 0.00 -0.45 0.00 0.00 34.95 35.30 1g91 s ARG 18 CO -0.03 -0.38 0.88 0.45 -0.68 0.00 0.00 175.30 175.54 1g91 s SER 19 N -1.88 6.33 0.06 0.23 0.15 -1.26 -5.02 113.70 112.30 1g91 s SER 19 Ca -0.06 -1.57 -0.18 0.00 0.70 0.00 0.00 55.95 54.84 1g91 s SER 19 Cb -0.01 -2.35 -0.06 0.00 -1.71 0.00 0.00 66.02 61.89 1g91 s SER 19 CO -0.00 -1.15 0.53 -0.63 1.20 0.00 0.00 173.24 173.19 1g91 s ILE 20 N 2.84 4.81 0.52 6.45 1.01 -1.26 -5.06 121.20 130.51 1g91 s ILE 20 Ca 0.20 1.12 -0.17 0.00 0.00 0.00 0.00 60.65 61.80 1g91 s ILE 20 Cb -0.17 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 1g91 s ILE 20 CO 0.02 0.55 1.00 -2.16 0.00 0.00 0.00 174.94 174.35 1g91 s PRO 21 N -1.13 3.84 0.03 2.79 0.04 -1.26 -4.92 135.00 134.39 1g91 s PRO 21 Ca 0.28 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.44 1g91 s PRO 21 Cb -0.19 -2.12 0.41 0.00 0.04 0.00 0.00 34.50 32.65 1g91 s PRO 21 CO 0.18 -0.37 1.30 0.00 0.04 0.00 0.00 177.00 178.14 1g91 h SER 23 N 0.00 0.26 -0.63 0.00 0.02 -2.02 -2.08 113.55 109.10 1g91 h SER 23 Ca 0.00 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1g91 h SER 23 Cb 0.14 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 1g91 h SER 23 CO 0.00 0.48 0.16 0.18 -1.14 0.00 0.00 176.83 176.51 1g91 n LEU 24 N -4.20 5.64 -4.08 5.07 4.77 -0.90 -4.86 117.00 118.44 1g91 n LEU 24 Ca -0.01 -2.91 -0.28 0.00 -0.03 0.00 0.00 56.01 52.78 1g91 n LEU 24 Cb 0.33 -0.71 -0.17 0.00 -2.33 0.00 0.00 43.42 40.54 1g91 n LEU 24 CO 0.39 0.71 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.90 1g91 s LEU 25 N -2.66 1.78 0.03 2.23 1.43 -0.78 -3.97 118.68 116.74 1g91 s LEU 25 Ca 0.51 -0.43 0.21 0.00 -1.03 0.00 0.00 54.13 53.39 1g91 s LEU 25 Cb 0.40 -1.10 -0.21 0.00 0.03 0.00 0.00 46.19 45.31 1g91 s LEU 25 CO 0.13 0.05 0.64 1.21 0.23 0.00 0.00 176.35 178.61 1g91 n GLU 26 N 4.00 0.64 -3.97 1.70 2.13 0.63 -4.87 120.64 120.91 1g91 n GLU 26 Ca -0.20 -0.03 0.05 0.00 0.66 0.00 0.00 57.16 57.64 1g91 n GLU 26 Cb 0.52 -1.65 0.01 0.00 0.27 0.00 0.00 31.44 30.59 1g91 n GLU 26 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1g91 n SER 27 N -2.52 -0.98 -3.61 4.31 2.88 -1.21 -5.00 113.62 107.49 1g91 n SER 27 Ca -0.07 -1.02 -0.06 0.00 -1.33 0.00 0.00 58.87 56.39 1g91 n SER 27 Cb 0.67 1.47 -0.01 0.00 -0.75 0.00 0.00 64.21 65.59 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1g91 s TYR 28 N -2.00 -0.10 0.13 0.66 -0.85 -1.26 0.16 117.35 114.09 1g91 s TYR 28 Ca 0.31 -0.38 -0.25 0.00 -0.52 0.00 0.00 57.07 56.24 1g91 s TYR 28 Cb -0.00 0.72 0.07 0.00 0.38 0.00 0.00 41.96 43.13 1g91 s TYR 28 CO -0.03 -1.21 0.89 -0.59 -1.52 0.00 0.00 175.55 173.09 1g91 s PHE 29 N -3.35 -0.22 0.34 -3.49 -0.12 -0.46 -4.97 117.98 105.71 1g91 s PHE 29 Ca 0.13 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1g91 s PHE 29 Cb -0.05 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1g91 s PHE 29 CO 0.07 -0.81 0.52 -1.21 -0.05 0.00 0.00 175.22 173.74 1g91 s GLU 30 N -3.36 3.39 0.70 1.99 0.41 -1.26 -1.09 118.70 119.48 1g91 s GLU 30 Ca 0.09 -0.50 -0.07 0.00 -0.41 0.00 0.00 54.97 54.09 1g91 s GLU 30 Cb -0.02 -2.71 0.06 0.00 -1.78 0.00 0.00 34.13 29.68 1g91 s GLU 30 CO -0.01 0.14 1.01 0.95 -0.49 0.00 0.00 175.26 176.86 1g91 s THR 31 N -2.27 2.30 0.09 3.63 -4.23 -0.91 -4.88 115.64 109.37 1g91 s THR 31 Ca 0.40 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.34 1g91 s THR 31 Cb -0.09 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 1g91 s THR 31 CO 0.34 -0.01 1.01 0.54 -0.54 0.00 0.00 174.62 175.96 1g91 s ASN 32 N -4.51 7.39 0.66 3.99 4.22 -1.26 -4.88 114.94 120.55 1g91 s ASN 32 Ca 0.60 1.82 0.38 0.00 -2.14 0.00 0.00 52.86 53.52 1g91 s ASN 32 Cb -0.11 -2.58 2.06 0.00 1.28 0.00 0.00 41.25 41.90 1g91 s ASN 32 CO 0.45 -0.18 2.16 0.77 -2.04 0.00 0.00 177.10 178.26 1g91 h SER 33 N 5.95 0.00 -0.50 3.54 4.64 -1.99 -0.58 113.55 124.61 1g91 h SER 33 Ca -0.42 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.99 1g91 h SER 33 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1g91 h SER 33 CO 0.74 0.00 0.35 -0.33 -0.87 0.00 0.00 176.83 176.71 1g91 h GLU 34 N 0.00 0.25 -6.95 4.77 5.08 -2.00 -3.41 114.58 112.31 1g91 h GLU 34 Ca 0.00 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 1g91 h GLU 34 Cb 0.30 -0.06 0.07 0.00 0.50 0.00 0.00 28.75 29.56 1g91 h GLU 34 CO 0.00 0.16 0.56 0.00 -1.00 0.00 0.00 179.01 178.73 1g91 h SER 36 N 2.55 0.94 -3.59 0.00 0.02 -1.89 -3.38 113.55 108.20 1g91 h SER 36 Ca -0.49 -0.24 -0.70 0.00 -0.84 0.00 0.00 61.79 59.51 1g91 h SER 36 Cb 1.24 -0.25 -0.29 0.00 0.14 0.00 0.00 62.40 63.25 1g91 h SER 36 CO 0.62 0.98 -0.56 -0.54 -1.14 0.00 0.00 176.83 176.20 1g91 s LYS 37 N -5.04 2.58 0.81 3.45 1.02 -1.26 -5.09 119.74 116.21 1g91 s LYS 37 Ca -0.11 -1.31 -0.12 0.00 0.02 0.00 0.00 55.97 54.46 1g91 s LYS 37 Cb 0.14 -3.58 0.08 0.00 -0.52 0.00 0.00 37.83 33.95 1g91 s LYS 37 CO 0.84 -0.78 1.13 -1.25 -0.92 0.00 0.00 175.35 174.36 1g91 s PRO 38 N 1.40 2.00 0.00 -1.68 0.04 -1.26 -3.91 135.00 131.59 1g91 s PRO 38 Ca 0.01 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1g91 s PRO 38 Cb -0.21 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1g91 s PRO 38 CO 0.02 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1g91 n GLY 39 N -2.61 -1.72 3.45 0.56 0.00 -1.26 -4.87 105.19 98.74 1g91 n GLY 39 Ca 0.07 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.13 2.61 -0.03 1.61 1.01 -0.91 -2.14 120.40 120.40 1g91 s VAL 40 Ca 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 61.98 60.40 1g91 s VAL 40 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1g91 s VAL 40 CO 0.00 0.07 -0.22 -0.63 0.00 0.00 0.00 175.10 174.32 1g91 s ILE 41 N -1.18 1.79 -0.05 2.22 1.01 -0.25 0.10 121.20 124.84 1g91 s ILE 41 Ca 0.17 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1g91 s ILE 41 Cb -0.10 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1g91 s ILE 41 CO 0.09 0.51 -0.17 -0.36 0.00 0.00 0.00 174.94 175.00 1g91 s PHE 42 N -0.34 2.63 -0.09 3.97 0.40 -0.19 -1.35 117.98 123.01 1g91 s PHE 42 Ca 0.03 -0.27 -0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1g91 s PHE 42 Cb -0.10 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1g91 s PHE 42 CO 0.01 0.10 0.13 -1.17 0.70 0.00 0.00 175.22 174.98 1g91 s LEU 43 N -0.60 4.26 0.33 -0.37 2.96 0.12 -2.25 118.68 123.14 1g91 s LEU 43 Ca 0.09 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.46 1g91 s LEU 43 Cb -0.11 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1g91 s LEU 43 CO 0.01 0.38 0.33 0.42 -1.32 0.00 0.00 176.35 176.17 1g91 s THR 44 N -1.06 3.67 -2.00 3.68 -4.23 0.14 -0.27 115.64 115.57 1g91 s THR 44 Ca 0.17 -1.28 0.21 0.00 -1.18 0.00 0.00 61.69 59.60 1g91 s THR 44 Cb -0.12 -3.24 0.60 0.00 1.34 0.00 0.00 72.50 71.07 1g91 s THR 44 CO 0.06 -0.17 1.73 1.17 -0.54 0.00 0.00 174.62 176.87 1g91 n LYS 45 N -1.43 0.88 -1.02 3.99 4.81 -1.25 -3.08 118.16 121.05 1g91 n LYS 45 Ca -0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.28 1g91 n LYS 45 Cb 0.59 -1.37 0.19 0.00 0.02 0.00 0.00 35.03 34.46 1g91 n LYS 45 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1g91 n LYS 46 N -0.87 2.04 -2.82 1.64 5.02 -1.26 -4.89 118.16 117.02 1g91 n LYS 46 Ca 0.16 -3.12 -0.21 0.00 -2.02 0.00 0.00 58.31 53.11 1g91 n LYS 46 Cb 0.07 -1.99 0.01 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 -0.51 3.42 0.72 0.00 -1.18 -4.97 105.19 101.53 1g91 n GLY 47 Ca 0.46 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 46.31 1g91 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g91 s ARG 48 N -5.48 1.52 0.04 1.61 1.81 -1.25 -4.97 118.95 112.23 1g91 s ARG 48 Ca 0.20 -1.60 -0.11 0.00 -1.72 0.00 0.00 55.73 52.49 1g91 s ARG 48 Cb -0.09 -1.68 0.01 0.00 -0.45 0.00 0.00 34.95 32.74 1g91 s ARG 48 CO 0.24 0.34 0.24 1.03 -0.68 0.00 0.00 175.30 176.47 1g91 s ARG 49 N -3.06 0.75 0.20 3.54 0.52 -1.26 0.23 118.95 119.87 1g91 s ARG 49 Ca 0.23 -0.58 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 1g91 s ARG 49 Cb -0.06 0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.74 1g91 s ARG 49 CO 0.11 -0.23 0.47 -0.59 0.02 0.00 0.00 175.30 175.08 1g91 s PHE 50 N -2.58 0.04 0.47 -0.53 -0.12 -0.95 -4.97 117.98 109.33 1g91 s PHE 50 Ca -0.05 -0.39 -0.04 0.00 -0.05 0.00 0.00 56.93 56.40 1g91 s PHE 50 Cb -0.01 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.63 1g91 s PHE 50 CO -0.04 -0.89 0.76 0.00 -0.05 0.00 0.00 175.22 175.00 1g91 s ALA 52 N -2.70 -0.54 0.16 0.00 0.00 0.29 -2.26 121.76 116.71 1g91 s ALA 52 Ca 0.47 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1g91 s ALA 52 Cb -0.10 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 1g91 s ALA 52 CO 0.44 -0.30 1.03 1.21 0.00 0.00 0.00 175.76 178.14 1g91 s ASN 53 N -1.66 7.39 0.38 0.00 3.84 -1.26 -2.14 114.94 121.49 1g91 s ASN 53 Ca -0.10 1.96 0.27 0.00 0.21 0.00 0.00 52.86 55.19 1g91 s ASN 53 Cb -0.04 -2.60 0.84 0.00 -0.55 0.00 0.00 41.25 38.90 1g91 s ASN 53 CO 0.00 -0.12 1.77 1.55 -2.79 0.00 0.00 177.10 177.51 1g91 h PRO 54 N 5.20 0.00 -0.16 0.43 0.13 -1.94 -2.76 132.00 132.91 1g91 h PRO 54 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1g91 h PRO 54 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1g91 h PRO 54 CO 0.72 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.92 1g91 n SER 55 N -2.75 1.92 -4.64 1.44 7.64 -1.26 -4.78 113.62 111.19 1g91 n SER 55 Ca 0.03 -1.72 -0.43 0.00 1.01 0.00 0.00 58.87 57.76 1g91 n SER 55 Cb 0.39 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.67 6.82 0.20 6.43 -1.08 -1.04 -4.90 116.67 121.43 1g91 s ASP 56 Ca 0.34 1.25 -0.10 0.00 -0.52 0.00 0.00 52.55 53.51 1g91 s ASP 56 Cb 0.19 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.36 1g91 s ASP 56 CO 0.28 -0.94 1.74 0.50 0.52 0.00 0.00 175.17 177.28 1g91 h LYS 57 N 8.64 0.38 -0.31 4.34 1.63 -1.90 0.23 116.57 129.58 1g91 h LYS 57 Ca -0.24 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.63 1g91 h LYS 57 Cb 1.08 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 1g91 h LYS 57 CO 1.02 0.25 0.23 1.96 -3.45 0.00 0.00 179.45 179.46 1g91 h GLN 58 N 0.39 0.00 -0.03 1.90 4.20 -1.97 -0.25 115.11 119.36 1g91 h GLN 58 Ca 0.29 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.75 1g91 h GLN 58 Cb 0.34 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.14 1g91 h GLN 58 CO -0.29 0.00 -0.98 0.28 -0.67 0.00 0.00 178.83 177.17 1g91 h VAL 59 N 0.00 1.30 -0.10 -0.54 2.07 -0.89 -2.27 116.25 115.82 1g91 h VAL 59 Ca 0.15 -2.23 -0.10 0.00 0.82 0.00 0.00 66.70 65.33 1g91 h VAL 59 Cb 0.60 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1g91 h VAL 59 CO -0.00 0.69 -0.40 1.56 0.02 0.00 0.00 177.57 179.44 1g91 h GLN 60 N 0.39 0.21 -0.00 1.57 1.08 -0.16 -2.17 115.11 116.03 1g91 h GLN 60 Ca -0.11 -0.10 -0.16 0.00 -1.45 0.00 0.00 58.65 56.83 1g91 h GLN 60 Cb 1.62 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.03 1g91 h GLN 60 CO 0.19 0.58 -0.76 0.28 -0.95 0.00 0.00 178.83 178.17 1g91 h VAL 61 N 0.18 1.52 -0.18 -0.54 2.07 -1.10 -3.15 116.25 115.05 1g91 h VAL 61 Ca 0.02 -2.54 -0.20 0.00 0.82 0.00 0.00 66.70 64.80 1g91 h VAL 61 Cb 0.78 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1g91 h VAL 61 CO 0.06 0.73 -0.68 0.00 0.02 0.00 0.00 177.57 177.70 1g91 h MET 63 N 0.51 0.00 -0.07 0.00 3.00 -1.38 -1.03 114.93 115.96 1g91 h MET 63 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 59.70 59.55 1g91 h MET 63 Cb 1.28 0.00 0.01 0.00 0.00 0.00 0.00 31.60 32.88 1g91 h MET 63 CO 0.14 0.06 -0.45 -0.09 0.00 0.00 0.00 176.91 176.56 1g91 h ARG 64 N 0.00 0.42 -0.28 -0.10 1.12 -1.47 -3.29 114.38 110.78 1g91 h ARG 64 Ca -0.00 -0.37 -0.18 0.00 -1.11 0.00 0.00 59.98 58.32 1g91 h ARG 64 Cb 0.22 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 1g91 h ARG 64 CO 0.01 1.01 -0.51 1.98 -3.11 0.00 0.00 179.97 179.35 1g91 h MET 65 N -0.04 0.85 -3.29 0.20 4.05 -1.40 -3.29 114.93 112.00 1g91 h MET 65 Ca -0.04 -0.53 -0.51 0.00 -0.28 0.00 0.00 59.70 58.34 1g91 h MET 65 Cb 1.12 0.06 0.02 0.00 -0.80 0.00 0.00 31.60 32.00 1g91 h MET 65 CO 0.09 1.17 3.13 1.28 0.23 0.00 0.00 176.91 182.82 1g91 n LEU 66 N -4.05 6.55 -4.74 3.39 4.77 -0.43 -4.92 117.00 117.57 1g91 n LEU 66 Ca -0.04 -3.53 -0.31 0.00 -0.03 0.00 0.00 56.01 52.09 1g91 n LEU 66 Cb 0.61 -1.30 0.11 0.00 -2.33 0.00 0.00 43.42 40.51 1g91 n LEU 66 CO 0.50 1.21 0.70 -0.75 -1.33 0.00 0.00 177.39 177.72 1g91 s LYS 67 N 2.93 1.94 0.00 3.23 2.47 -1.24 -4.92 119.74 124.15 1g91 s LYS 67 Ca 0.53 1.33 0.00 0.00 -1.56 0.00 0.00 55.97 56.27 1g91 s LYS 67 Cb 0.14 -1.85 0.00 0.00 -1.46 0.00 0.00 37.83 34.66 1g91 s LYS 67 CO -0.04 -1.91 0.00 1.28 0.16 0.00 0.00 175.35 174.84 1g91 n LEU 68 N -3.59 0.32 -0.03 5.43 7.99 -1.26 -4.93 117.00 120.93 1g91 n LEU 68 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 56.08 1g91 n LEU 68 Cb 0.52 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.83 1g91 n LEU 68 CO 0.51 0.00 -0.17 -0.67 -1.51 0.00 0.00 177.39 175.56 1g91 n ASP 69 N -0.13 0.72 -1.08 -1.43 2.03 -1.26 -5.09 116.55 110.31 1g91 n ASP 69 Ca 0.00 0.34 0.13 0.00 0.52 0.00 0.00 54.79 55.78 1g91 n ASP 69 Cb 0.00 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 39.71 1g91 n ASP 69 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1g91 n THR 70 N -3.20 -0.33 -2.91 5.18 -1.04 -1.26 -4.96 114.28 105.77 1g91 n THR 70 Ca -0.03 0.53 -0.11 0.00 -2.04 0.00 0.00 64.05 62.39 1g91 n THR 70 Cb 0.13 -0.89 0.01 0.00 -1.82 0.00 0.00 70.33 67.76 1g91 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1g91 n ARG 71 N -3.81 -2.36 -2.43 -2.82 3.00 -1.26 -4.56 116.66 102.42 1g91 n ARG 71 Ca -0.05 2.07 -0.02 0.00 -0.00 0.00 0.00 57.85 59.85 1g91 n ARG 71 Cb 0.51 -5.32 -0.02 0.00 0.00 0.00 0.00 32.46 27.63 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 -0.27-10.54 -0.13 5.15 5.41 -1.26 -5.00 119.36 112.73 1g91 n ILE 72 Ca 0.10 1.85 -0.27 0.00 1.00 0.00 0.00 62.75 65.43 1g91 n ILE 72 Cb 0.48 -6.20 -0.11 0.00 -0.71 0.00 0.00 39.64 33.10 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 0.93 0.59 -3.67 0.38 4.81 -1.26 -4.98 118.16 114.97 1g91 n LYS 73 Ca -0.16 0.33 -0.08 0.00 -0.87 0.00 0.00 58.31 57.53 1g91 n LYS 73 Cb 0.24 -1.56 -0.09 0.00 0.02 0.00 0.00 35.03 33.63 1g91 n LYS 73 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1g91 s THR 74 N -2.48 -0.51 0.00 3.15 -1.32 -1.26 -5.00 115.64 108.22 1g91 s THR 74 Ca -0.36 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1g91 s THR 74 Cb 0.12 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1g91 s THR 74 CO 0.53 0.06 0.00 0.54 -2.21 0.00 0.00 174.62 173.54 1g91 n ARG 75 N 5.11 0.00 -0.95 7.08 1.74 -1.26 -4.97 116.66 123.41 1g91 n ARG 75 Ca -0.12 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.93 1g91 n ARG 75 Cb 0.51 -0.18 -0.03 0.00 -1.02 0.00 0.00 32.46 31.74 1g91 n ARG 75 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1g91 n LYS 76 N -2.03 0.00 0.00 5.56 2.85 -1.26 -5.31 118.16 117.98 1g91 n LYS 76 Ca 0.00 -0.99 0.14 0.00 -1.05 0.00 0.00 58.31 56.41 1g91 n LYS 76 Cb 0.00 0.21 0.54 0.00 -0.65 0.00 0.00 35.03 35.13 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44