#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 1.65 0.00 6.12 -1.08 -1.26 -5.15 116.67 116.95 1g91 s ASP 2 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 1g91 s ASP 2 Cb 0.00 -0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.34 1g91 s ASP 2 CO 0.00 0.05 0.00 0.54 0.52 0.00 0.00 175.17 176.28 1g91 n ARG 3 N 2.01 1.39 -1.01 4.34 1.74 -1.26 -5.15 116.66 118.72 1g91 n ARG 3 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1g91 n ARG 3 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 1g91 n ARG 3 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1g91 n PHE 4 N -0.70 0.00 0.00 -1.55 -1.74 -1.26 -5.09 117.46 107.13 1g91 n PHE 4 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1g91 n PHE 4 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1g91 n PHE 4 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1g91 n HIS 5 N 0.00 -0.00 -3.09 2.97 8.25 -1.26 -5.07 115.22 117.02 1g91 n HIS 5 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1g91 n HIS 5 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.01 -3.73 -0.02 -1.41 0.00 -1.26 -5.15 121.76 109.17 1g91 s ALA 6 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1g91 s ALA 6 Cb 0.00 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.33 1g91 s ALA 6 CO 0.00 -2.13 -0.00 -0.08 0.00 0.00 0.00 175.76 173.55 1g91 s THR 7 N 2.70 0.17 0.05 0.00 -1.32 -1.26 -5.10 115.64 110.88 1g91 s THR 7 Ca 0.22 0.05 -0.38 0.00 -1.21 0.00 0.00 61.69 60.37 1g91 s THR 7 Cb -0.02 -0.24 -0.18 0.00 -1.51 0.00 0.00 72.50 70.54 1g91 s THR 7 CO -0.21 0.12 1.25 -1.54 -2.21 0.00 0.00 174.62 172.03 1g91 n SER 8 N 3.89 1.06 -4.93 8.08 3.41 -1.26 -4.94 113.62 118.94 1g91 n SER 8 Ca -0.24 1.13 -0.23 0.00 -0.26 0.00 0.00 58.87 59.27 1g91 n SER 8 Cb 0.52 -1.09 0.05 0.00 -0.26 0.00 0.00 64.21 63.43 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 0.33 3.63 0.08 7.33 0.00 -1.26 -5.02 121.76 126.84 1g91 s ALA 9 Ca 0.87 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1g91 s ALA 9 Cb -1.07 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1g91 s ALA 9 CO 0.50 -1.00 0.00 -3.47 0.00 0.00 0.00 175.76 171.80 1g91 n ASP 10 N -2.58 -0.43 -4.88 0.00 2.03 -1.26 -5.13 116.55 104.31 1g91 n ASP 10 Ca 0.09 0.14 -0.21 0.00 0.52 0.00 0.00 54.79 55.33 1g91 n ASP 10 Cb 0.60 0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 41.57 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 3.70 0.59 -3.65 0.00 0.13 -1.26 -4.82 119.36 114.05 1g91 n ILE 13 Ca 0.07 -0.38 -0.04 0.00 -1.10 0.00 0.00 62.75 61.30 1g91 n ILE 13 Cb 0.48 -0.69 -0.06 0.00 -0.84 0.00 0.00 39.64 38.53 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1g91 s SER 14 N -4.07 -0.91 0.39 9.51 0.15 -1.26 -5.15 113.70 112.37 1g91 s SER 14 Ca -0.04 1.42 -0.22 0.00 0.70 0.00 0.00 55.95 57.80 1g91 s SER 14 Cb 0.03 1.87 -0.11 0.00 -1.71 0.00 0.00 66.02 66.10 1g91 s SER 14 CO 0.38 -0.22 0.94 -0.31 1.20 0.00 0.00 173.24 175.22 1g91 s TYR 15 N 2.52 3.43 -0.37 3.44 2.02 -1.26 -4.16 117.35 122.96 1g91 s TYR 15 Ca -0.06 1.64 -0.39 0.00 -0.37 0.00 0.00 57.07 57.90 1g91 s TYR 15 Cb -0.10 -2.86 -0.14 0.00 -0.40 0.00 0.00 41.96 38.46 1g91 s TYR 15 CO -0.18 -0.01 2.08 -2.37 -1.57 0.00 0.00 175.55 173.51 1g91 n THR 16 N -0.27 0.16 -1.07 -0.71 5.66 -0.65 -4.76 114.28 112.65 1g91 n THR 16 Ca 0.05 -0.15 -0.27 0.00 -3.05 0.00 0.00 64.05 60.64 1g91 n THR 16 Cb 0.53 -1.27 -0.07 0.00 -1.55 0.00 0.00 70.33 67.98 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 7.42 2.79 -3.58 1.09 -0.04 -1.26 -4.80 135.00 136.62 1g91 n PRO 17 Ca 0.42 -1.64 -0.07 0.00 -0.04 0.00 0.00 63.50 62.17 1g91 n PRO 17 Cb 0.14 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.12 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 2.09 0.99 -0.51 0.54 0.52 -1.26 -5.11 118.95 116.20 1g91 s ARG 18 Ca 0.61 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 55.19 1g91 s ARG 18 Cb 0.20 0.41 0.06 0.00 0.52 0.00 0.00 34.95 36.14 1g91 s ARG 18 CO -0.04 -0.44 0.63 -1.54 0.02 0.00 0.00 175.30 173.93 1g91 s SER 19 N -2.65 6.22 -0.04 0.23 1.04 -1.26 -5.04 113.70 112.19 1g91 s SER 19 Ca 0.07 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.44 1g91 s SER 19 Cb -0.01 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 1g91 s SER 19 CO -0.06 -0.91 0.25 -0.63 0.98 0.00 0.00 173.24 172.87 1g91 s ILE 20 N 2.63 5.31 0.53 -1.02 1.09 -1.26 -5.08 121.20 123.40 1g91 s ILE 20 Ca 0.15 0.36 -0.17 0.00 -1.10 0.00 0.00 60.65 59.89 1g91 s ILE 20 Cb -0.20 -3.54 -0.07 0.00 -1.06 0.00 0.00 42.46 37.60 1g91 s ILE 20 CO 0.11 0.52 1.01 -2.16 -0.10 0.00 0.00 174.94 174.32 1g91 s PRO 21 N -1.29 3.76 0.50 2.79 0.04 -1.26 -4.95 135.00 134.60 1g91 s PRO 21 Ca 0.22 1.07 0.27 0.00 0.04 0.00 0.00 61.00 62.60 1g91 s PRO 21 Cb -0.14 -2.10 1.33 0.00 0.04 0.00 0.00 34.50 33.63 1g91 s PRO 21 CO 0.11 -0.44 2.01 0.00 0.04 0.00 0.00 177.00 178.72 1g91 n SER 23 N -3.54 0.13 -1.83 0.00 7.64 -1.26 -2.30 113.62 112.46 1g91 n SER 23 Ca -0.01 0.53 -0.11 0.00 1.01 0.00 0.00 58.87 60.29 1g91 n SER 23 Cb 0.29 -0.56 0.24 0.00 -1.01 0.00 0.00 64.21 63.16 1g91 n SER 23 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1g91 n LEU 24 N -1.65 5.76 -3.89 -3.43 -0.00 -0.55 -4.89 117.00 108.36 1g91 n LEU 24 Ca 0.04 -3.46 -0.24 0.00 -0.00 0.00 0.00 56.01 52.35 1g91 n LEU 24 Cb 0.20 -0.74 -0.17 0.00 -0.00 0.00 0.00 43.42 42.71 1g91 n LEU 24 CO 0.16 0.98 -0.42 -0.76 -0.00 0.00 0.00 177.39 177.35 1g91 s LEU 25 N -3.15 1.14 0.07 -1.96 1.43 -0.97 -4.30 118.68 110.94 1g91 s LEU 25 Ca 0.53 -0.20 0.18 0.00 -1.03 0.00 0.00 54.13 53.61 1g91 s LEU 25 Cb 0.44 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 45.90 1g91 s LEU 25 CO 0.09 -0.10 0.82 1.21 0.23 0.00 0.00 176.35 178.61 1g91 n GLU 26 N 4.59 0.62 -3.03 1.70 2.13 0.48 -4.92 120.64 122.21 1g91 n GLU 26 Ca -0.16 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1g91 n GLU 26 Cb 0.50 -1.79 0.01 0.00 0.27 0.00 0.00 31.44 30.43 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 -2.83 -0.85 -3.62 4.31 2.88 -1.12 -5.00 113.62 107.38 1g91 n SER 27 Ca -0.09 -1.31 -0.05 0.00 -1.33 0.00 0.00 58.87 56.09 1g91 n SER 27 Cb 0.80 1.35 -0.02 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 -2.95 -0.21 0.32 0.66 -0.85 -1.26 -0.48 117.35 112.58 1g91 s TYR 28 Ca 0.16 0.02 -0.19 0.00 -0.52 0.00 0.00 57.07 56.54 1g91 s TYR 28 Cb -0.01 0.58 0.04 0.00 0.38 0.00 0.00 41.96 42.95 1g91 s TYR 28 CO 0.01 -0.60 0.79 -0.59 -1.52 0.00 0.00 175.55 173.65 1g91 s PHE 29 N -3.05 -0.01 0.06 -3.49 -0.71 -0.58 -4.96 117.98 105.25 1g91 s PHE 29 Ca 0.09 -0.55 0.01 0.00 -1.04 0.00 0.00 56.93 55.44 1g91 s PHE 29 Cb -0.01 0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 42.54 1g91 s PHE 29 CO -0.04 -1.36 0.16 -1.21 -1.34 0.00 0.00 175.22 171.43 1g91 s GLU 30 N -2.94 3.24 0.36 1.99 2.02 -1.26 0.23 118.70 122.34 1g91 s GLU 30 Ca 0.14 -0.52 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 1g91 s GLU 30 Cb -0.05 -2.93 0.09 0.00 0.10 0.00 0.00 34.13 31.34 1g91 s GLU 30 CO 0.09 0.60 0.39 0.25 0.02 0.00 0.00 175.26 176.61 1g91 n THR 31 N 0.38 0.00 -1.75 3.63 -2.24 -0.90 -4.89 114.28 108.50 1g91 n THR 31 Ca -0.07 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1g91 n THR 31 Cb 0.51 -1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 67.29 1g91 n THR 31 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g91 s ASN 32 N -2.52 6.49 0.39 3.42 3.84 -1.26 -4.81 114.94 120.50 1g91 s ASN 32 Ca 0.24 2.61 0.25 0.00 0.21 0.00 0.00 52.86 56.16 1g91 s ASN 32 Cb -0.02 -2.54 1.35 0.00 -0.55 0.00 0.00 41.25 39.49 1g91 s ASN 32 CO 0.17 -1.01 1.75 0.77 -2.79 0.00 0.00 177.10 175.99 1g91 h SER 33 N 9.82 0.00 -0.31 -4.21 4.64 -1.98 0.34 113.55 121.85 1g91 h SER 33 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1g91 h SER 33 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1g91 h SER 33 CO 0.94 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.28 1g91 n GLU 34 N -2.39 1.91 -2.88 4.77 1.02 -1.26 -4.86 120.64 116.94 1g91 n GLU 34 Ca -0.02 -1.39 -0.41 0.00 -0.02 0.00 0.00 57.16 55.32 1g91 n GLU 34 Cb 0.09 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1g91 n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g91 h SER 36 N 7.11 0.30 -3.48 0.00 0.87 -1.89 -3.06 113.55 113.41 1g91 h SER 36 Ca -0.34 0.05 -0.62 0.00 -1.23 0.00 0.00 61.79 59.65 1g91 h SER 36 Cb 1.16 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.71 1g91 h SER 36 CO 0.81 0.07 -0.64 -0.54 -0.53 0.00 0.00 176.83 176.00 1g91 s LYS 37 N -5.31 2.06 0.87 2.24 1.02 -1.26 -5.09 119.74 114.26 1g91 s LYS 37 Ca -0.07 -2.88 -0.12 0.00 0.02 0.00 0.00 55.97 52.91 1g91 s LYS 37 Cb 0.24 -3.11 0.11 0.00 -0.52 0.00 0.00 37.83 34.55 1g91 s LYS 37 CO 0.79 -1.23 1.17 -1.25 -0.92 0.00 0.00 175.35 173.92 1g91 s PRO 38 N -0.78 1.50 -0.04 -1.68 0.04 -1.16 -2.14 135.00 130.75 1g91 s PRO 38 Ca 0.22 0.15 -0.13 0.00 0.04 0.00 0.00 61.00 61.29 1g91 s PRO 38 Cb -0.13 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1g91 s PRO 38 CO -0.10 -1.92 0.57 0.41 0.04 0.00 0.00 177.00 176.00 1g91 n GLY 39 N -2.85 0.29 3.40 0.56 0.00 -1.26 -4.82 105.19 100.51 1g91 n GLY 39 Ca 0.08 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.02 3.51 -0.07 1.61 1.01 -1.01 -2.13 120.40 121.31 1g91 s VAL 40 Ca 0.14 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1g91 s VAL 40 Cb -0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1g91 s VAL 40 CO -0.01 0.47 0.50 -0.63 0.00 0.00 0.00 175.10 175.43 1g91 s ILE 41 N 0.79 5.09 -0.14 2.22 -1.09 0.14 0.87 121.20 129.08 1g91 s ILE 41 Ca -0.02 1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 59.38 1g91 s ILE 41 Cb -0.15 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1g91 s ILE 41 CO 0.02 0.39 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.73 1g91 s PHE 42 N 0.17 3.06 -0.20 3.97 0.08 0.40 -1.52 117.98 123.94 1g91 s PHE 42 Ca 0.27 -0.16 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 1g91 s PHE 42 Cb -0.16 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1g91 s PHE 42 CO 0.13 0.09 0.05 -1.17 -0.10 0.00 0.00 175.22 174.22 1g91 s LEU 43 N 0.07 3.58 0.39 -0.37 1.98 0.37 -2.29 118.68 122.41 1g91 s LEU 43 Ca 0.01 -0.06 0.08 0.00 -2.89 0.00 0.00 54.13 51.26 1g91 s LEU 43 Cb -0.13 -1.92 0.00 0.00 0.66 0.00 0.00 46.19 44.80 1g91 s LEU 43 CO 0.02 0.10 0.52 0.42 -1.89 0.00 0.00 176.35 175.53 1g91 s THR 44 N 0.83 3.32 -1.58 3.68 -4.23 -0.07 0.18 115.64 117.77 1g91 s THR 44 Ca 0.03 -1.02 0.19 0.00 -1.18 0.00 0.00 61.69 59.71 1g91 s THR 44 Cb -0.14 -3.13 0.39 0.00 1.34 0.00 0.00 72.50 70.97 1g91 s THR 44 CO 0.02 -0.05 1.59 1.17 -0.54 0.00 0.00 174.62 176.81 1g91 n LYS 45 N -1.76 0.36 -0.94 3.99 4.81 -1.26 -2.52 118.16 120.84 1g91 n LYS 45 Ca 0.05 0.08 -0.08 0.00 -0.87 0.00 0.00 58.31 57.49 1g91 n LYS 45 Cb 0.59 -1.50 0.26 0.00 0.02 0.00 0.00 35.03 34.39 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 -1.21 3.24 -2.79 1.64 3.00 -1.26 -4.87 118.16 115.92 1g91 n LYS 46 Ca 0.11 -2.71 -0.20 0.00 -0.00 0.00 0.00 58.31 55.50 1g91 n LYS 46 Cb 0.13 -2.11 0.01 0.00 0.00 0.00 0.00 35.03 33.06 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 -0.22 -0.51 3.42 3.14 0.00 -1.05 -4.96 105.19 105.02 1g91 n GLY 47 Ca 0.39 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.44 3.30 -0.05 1.61 6.06 -1.25 -4.95 118.95 118.22 1g91 s ARG 48 Ca 0.18 -0.64 0.03 0.00 -2.50 0.00 0.00 55.73 52.80 1g91 s ARG 48 Cb -0.08 -2.66 0.00 0.00 0.06 0.00 0.00 34.95 32.27 1g91 s ARG 48 CO 0.22 0.30 -0.15 -0.98 -2.50 0.00 0.00 175.30 172.18 1g91 s ARG 49 N 0.14 1.80 0.07 5.12 1.70 -1.26 -0.90 118.95 125.63 1g91 s ARG 49 Ca -0.05 -0.54 -0.01 0.00 -0.47 0.00 0.00 55.73 54.66 1g91 s ARG 49 Cb -0.15 -1.51 -0.04 0.00 -0.57 0.00 0.00 34.95 32.68 1g91 s ARG 49 CO 0.04 0.15 -0.01 -0.59 -1.08 0.00 0.00 175.30 173.82 1g91 s PHE 50 N 0.30 0.60 0.69 5.89 -0.12 -0.97 -4.92 117.98 119.45 1g91 s PHE 50 Ca -0.09 -1.11 -0.11 0.00 -0.05 0.00 0.00 56.93 55.57 1g91 s PHE 50 Cb -0.13 -0.41 0.01 0.00 -0.63 0.00 0.00 43.02 41.85 1g91 s PHE 50 CO 0.03 -0.41 1.08 0.00 -0.05 0.00 0.00 175.22 175.87 1g91 s ALA 52 N -3.28 -0.16 -0.11 0.00 0.00 0.25 -1.64 121.76 116.82 1g91 s ALA 52 Ca 0.58 -0.33 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 1g91 s ALA 52 Cb -0.11 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1g91 s ALA 52 CO 0.53 -0.22 0.88 1.21 0.00 0.00 0.00 175.76 178.15 1g91 s ASN 53 N -1.56 7.10 0.00 0.00 3.84 -1.26 -2.40 114.94 120.66 1g91 s ASN 53 Ca -0.13 1.34 0.25 0.00 0.21 0.00 0.00 52.86 54.53 1g91 s ASN 53 Cb -0.07 -2.49 1.28 0.00 -0.55 0.00 0.00 41.25 39.42 1g91 s ASN 53 CO -0.00 -0.34 1.82 -0.81 -2.79 0.00 0.00 177.10 174.98 1g91 n PRO 54 N 4.70 0.42 0.00 0.43 -0.04 -1.26 -2.57 135.00 136.68 1g91 n PRO 54 Ca 0.05 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1g91 n PRO 54 Cb 0.50 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.24 0.93 -4.68 3.54 7.64 -1.26 -4.70 113.62 113.85 1g91 n SER 55 Ca 0.13 -0.74 -0.43 0.00 1.01 0.00 0.00 58.87 58.84 1g91 n SER 55 Cb 0.18 0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.67 7.11 0.56 6.43 2.15 -1.06 -4.89 116.67 124.31 1g91 s ASP 56 Ca 0.19 1.59 0.25 0.00 0.43 0.00 0.00 52.55 55.01 1g91 s ASP 56 Cb 0.19 -2.55 1.56 0.00 -0.30 0.00 0.00 42.92 41.81 1g91 s ASP 56 CO 0.59 -0.59 2.13 0.11 -0.17 0.00 0.00 175.17 177.24 1g91 h LYS 57 N 7.45 0.00 0.00 4.34 1.57 -1.91 0.20 116.57 128.22 1g91 h LYS 57 Ca -0.28 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1g91 h LYS 57 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1g91 h LYS 57 CO 0.91 0.00 -0.20 1.96 -0.57 0.00 0.00 179.45 181.55 1g91 h GLN 58 N 0.00 0.00 0.22 3.15 1.08 -1.95 -2.30 115.11 115.31 1g91 h GLN 58 Ca 0.08 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.95 1g91 h GLN 58 Cb 0.37 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1g91 h GLN 58 CO -0.00 0.20 -1.42 0.28 -0.95 0.00 0.00 178.83 176.93 1g91 h VAL 59 N 0.00 1.30 0.00 -0.54 2.07 -0.90 -2.34 116.25 115.85 1g91 h VAL 59 Ca -0.00 -2.70 -0.19 0.00 0.82 0.00 0.00 66.70 64.64 1g91 h VAL 59 Cb 1.08 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.81 1g91 h VAL 59 CO 0.03 0.81 -0.86 1.56 0.02 0.00 0.00 177.57 179.12 1g91 h GLN 60 N 0.16 0.09 -0.02 1.57 1.08 -1.46 -1.41 115.11 115.11 1g91 h GLN 60 Ca -0.24 -0.10 -0.20 0.00 -1.45 0.00 0.00 58.65 56.66 1g91 h GLN 60 Cb 2.11 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.57 1g91 h GLN 60 CO 0.27 0.89 -0.85 0.28 -0.95 0.00 0.00 178.83 178.47 1g91 h VAL 61 N 0.05 1.43 0.06 -0.54 2.07 -1.49 -3.22 116.25 114.61 1g91 h VAL 61 Ca -0.03 -2.41 -0.24 0.00 0.82 0.00 0.00 66.70 64.84 1g91 h VAL 61 Cb 1.50 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 1g91 h VAL 61 CO 0.12 0.71 -1.13 0.00 0.02 0.00 0.00 177.57 177.30 1g91 h MET 63 N 0.04 0.00 0.14 0.00 3.00 -1.26 -0.62 114.93 116.23 1g91 h MET 63 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 59.70 59.34 1g91 h MET 63 Cb 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31.60 33.48 1g91 h MET 63 CO 0.17 0.00 -1.43 -0.09 0.00 0.00 0.00 176.91 175.56 1g91 h ARG 64 N 0.00 0.30 0.60 -0.10 2.43 -1.62 -3.27 114.38 112.71 1g91 h ARG 64 Ca 0.12 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 1g91 h ARG 64 Cb 0.72 0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1g91 h ARG 64 CO -0.00 1.24 -0.29 1.98 -1.51 0.00 0.00 179.97 181.40 1g91 h MET 65 N -0.20 -0.78 -0.85 0.20 4.05 -1.25 -2.94 114.93 113.17 1g91 h MET 65 Ca -0.29 0.05 0.20 0.00 -0.28 0.00 0.00 59.70 59.38 1g91 h MET 65 Cb 1.85 0.18 -0.15 0.00 -0.80 0.00 0.00 31.60 32.67 1g91 h MET 65 CO 0.11 -0.47 -0.05 -0.07 0.23 0.00 0.00 176.91 176.65 1g91 h LEU 66 N -0.95 -0.51 -9.72 3.39 3.38 -1.35 -3.41 115.31 106.14 1g91 h LEU 66 Ca -0.08 0.24 -0.45 0.00 0.09 0.00 0.00 57.88 57.67 1g91 h LEU 66 Cb 0.66 0.44 0.23 0.00 0.09 0.00 0.00 40.66 42.08 1g91 h LEU 66 CO 0.14 -0.26 -0.98 1.17 0.09 0.00 0.00 178.44 178.60 1g91 n LYS 67 N -5.44 -1.72 -2.52 1.13 4.81 -1.11 -4.79 118.16 108.52 1g91 n LYS 67 Ca 0.16 -0.48 -0.43 0.00 -0.87 0.00 0.00 58.31 56.69 1g91 n LYS 67 Cb 0.54 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1g91 n LYS 67 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1g91 n LEU 68 N -2.04 5.74 0.19 3.14 -0.00 -1.26 -4.71 117.00 118.06 1g91 n LEU 68 Ca 0.01 -4.31 0.07 0.00 -0.00 0.00 0.00 56.01 51.78 1g91 n LEU 68 Cb 0.62 -1.63 0.34 0.00 -0.00 0.00 0.00 43.42 42.75 1g91 n LEU 68 CO 0.53 0.78 0.70 -2.24 -0.00 0.00 0.00 177.39 177.16 1g91 h ASP 69 N 6.75 0.00 -1.32 1.45 2.03 -1.79 -3.44 116.42 120.10 1g91 h ASP 69 Ca 0.41 0.00 -0.78 0.00 -0.73 0.00 0.00 57.03 55.93 1g91 h ASP 69 Cb 0.78 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.30 1g91 h ASP 69 CO 1.49 0.34 0.63 0.41 -1.03 0.00 0.00 179.24 181.08 1g91 n THR 70 N -3.46 0.12 0.05 1.15 -1.04 -1.26 -4.51 114.28 105.33 1g91 n THR 70 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1g91 n THR 70 Cb 0.50 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 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 3.89 0.00 -3.17 -2.82 0.63 -1.26 -5.01 116.66 108.91 1g91 n ARG 71 Ca 0.25 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.94 1g91 n ARG 71 Cb 0.08 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.93 1g91 n ARG 71 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1g91 n ILE 72 N -2.65 1.43 -3.36 5.15 -5.35 -1.26 -4.92 119.36 108.40 1g91 n ILE 72 Ca 0.00 -4.97 -0.18 0.00 -0.27 0.00 0.00 62.75 57.33 1g91 n ILE 72 Cb 0.00 -1.43 0.05 0.00 -1.74 0.00 0.00 39.64 36.53 1g91 n ILE 72 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1g91 n LYS 73 N 0.47 -1.85 -1.98 6.28 4.81 -1.26 -4.97 118.16 119.66 1g91 n LYS 73 Ca 0.27 0.82 -0.30 0.00 -0.87 0.00 0.00 58.31 58.23 1g91 n LYS 73 Cb 0.48 -5.29 0.01 0.00 0.02 0.00 0.00 35.03 30.25 1g91 n LYS 73 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1g91 s THR 74 N -3.36 4.64 1.10 3.15 -4.23 -1.26 -5.02 115.64 110.66 1g91 s THR 74 Ca 0.41 0.75 -0.20 0.00 -1.18 0.00 0.00 61.69 61.46 1g91 s THR 74 Cb -0.08 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 69.97 1g91 s THR 74 CO 0.78 -1.06 -0.29 0.54 -0.54 0.00 0.00 174.62 174.04 1g91 n ARG 75 N -2.70 -1.37 0.01 3.99 1.74 -1.26 -4.94 116.66 112.13 1g91 n ARG 75 Ca 0.05 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 1g91 n ARG 75 Cb 0.54 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1g91 n ARG 75 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1g91 n LYS 76 N -1.19 0.00 0.00 5.56 4.76 -1.26 -4.99 118.16 121.04 1g91 n LYS 76 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1g91 n LYS 76 Cb 0.64 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.83 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32