#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 6.93 -3.99 3.17 5.68 -1.26 -4.88 116.55 122.21 1g91 n ASP 2 Ca 0.00 -2.50 -0.15 0.00 -0.50 0.00 0.00 54.79 51.64 1g91 n ASP 2 Cb 0.00 -1.45 0.06 0.00 -1.14 0.00 0.00 41.12 38.59 1g91 n ASP 2 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1g91 n ARG 3 N 3.14 0.46 0.11 0.11 1.74 -1.26 -5.07 116.66 115.89 1g91 n ARG 3 Ca 0.61 -2.11 0.00 0.00 -0.77 0.00 0.00 57.85 55.57 1g91 n ARG 3 Cb 0.51 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 1g91 n ARG 3 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1g91 n PHE 4 N -2.12 -1.76 0.00 -1.55 3.72 -1.26 -5.05 117.46 109.43 1g91 n PHE 4 Ca 0.12 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 1g91 n PHE 4 Cb 0.43 0.49 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 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 -3.29 -0.08 -2.06 1.38 8.25 -1.26 -5.02 115.22 113.14 1g91 n HIS 5 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1g91 n HIS 5 Cb 0.02 0.43 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g91 n ALA 6 N -2.35 -0.44 -2.51 -1.41 0.00 -1.26 -4.98 120.51 107.56 1g91 n ALA 6 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1g91 n ALA 6 Cb 0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.38 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 -2.82 1.59 -1.58 0.00 -4.23 -1.26 -5.00 115.64 102.33 1g91 s THR 7 Ca 0.00 -1.19 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1g91 s THR 7 Cb 0.00 -1.40 0.22 0.00 1.34 0.00 0.00 72.50 72.66 1g91 s THR 7 CO 0.00 0.16 1.07 -1.54 -0.54 0.00 0.00 174.62 173.77 1g91 n SER 8 N 1.81 1.63 -4.34 3.99 3.41 -1.26 -4.93 113.62 113.94 1g91 n SER 8 Ca -0.17 -2.10 -0.33 0.00 -0.26 0.00 0.00 58.87 56.01 1g91 n SER 8 Cb 0.53 -0.29 0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g91 n ALA 9 N 0.17 -3.31 -1.99 7.33 0.00 -1.26 -4.94 120.51 116.51 1g91 n ALA 9 Ca 0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 53.44 52.67 1g91 n ALA 9 Cb 0.31 -1.65 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 1g91 n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1g91 n ASP 10 N -0.95 -0.53 -4.75 0.00 -0.08 -1.26 -5.11 116.55 103.87 1g91 n ASP 10 Ca 0.04 -1.12 -0.40 0.00 -1.51 0.00 0.00 54.79 51.81 1g91 n ASP 10 Cb 0.57 0.19 -0.05 0.00 2.34 0.00 0.00 41.12 44.17 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 2.94 0.00 -3.69 0.00 3.06 -1.26 -4.81 119.36 115.59 1g91 n ILE 13 Ca -0.02 -0.42 -0.13 0.00 -2.50 0.00 0.00 62.75 59.69 1g91 n ILE 13 Cb 0.50 1.09 -0.13 0.00 0.54 0.00 0.00 39.64 41.64 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1g91 s SER 14 N -0.38 0.02 -0.12 9.51 0.01 -1.26 -5.14 113.70 116.33 1g91 s SER 14 Ca 0.00 0.60 -0.05 0.00 1.31 0.00 0.00 55.95 57.81 1g91 s SER 14 Cb 0.00 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 1g91 s SER 14 CO 0.00 -0.21 0.08 -0.31 0.41 0.00 0.00 173.24 173.21 1g91 s TYR 15 N 1.89 3.39 -0.47 2.43 1.51 -1.26 -4.26 117.35 120.58 1g91 s TYR 15 Ca -0.04 0.33 -0.34 0.00 -1.01 0.00 0.00 57.07 56.01 1g91 s TYR 15 Cb -0.11 -1.92 -0.13 0.00 -0.11 0.00 0.00 41.96 39.69 1g91 s TYR 15 CO -0.09 0.53 2.29 -2.37 -1.11 0.00 0.00 175.55 174.80 1g91 n THR 16 N 2.35 0.11 -1.56 -0.71 5.66 -0.99 -4.78 114.28 114.37 1g91 n THR 16 Ca -0.19 -0.27 -0.42 0.00 -3.05 0.00 0.00 64.05 60.12 1g91 n THR 16 Cb 0.54 -1.54 -0.01 0.00 -1.55 0.00 0.00 70.33 67.76 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 8.29 2.57 -3.46 1.09 -0.04 -1.26 -4.84 135.00 137.35 1g91 n PRO 17 Ca 0.45 -2.38 -0.12 0.00 -0.04 0.00 0.00 63.50 61.41 1g91 n PRO 17 Cb 0.22 -3.16 -0.03 0.00 -0.04 0.00 0.00 33.50 30.49 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 3.57 1.23 -0.79 0.54 0.52 -1.26 -5.10 118.95 117.66 1g91 s ARG 18 Ca 0.50 -0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 55.07 1g91 s ARG 18 Cb 0.14 0.56 0.11 0.00 0.52 0.00 0.00 34.95 36.29 1g91 s ARG 18 CO -0.04 -0.52 0.99 -1.12 0.02 0.00 0.00 175.30 174.63 1g91 s SER 19 N -2.63 6.43 -0.10 0.23 0.01 -1.26 -5.01 113.70 111.36 1g91 s SER 19 Ca 0.00 -1.69 -0.12 0.00 1.31 0.00 0.00 55.95 55.46 1g91 s SER 19 Cb -0.01 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1g91 s SER 19 CO -0.11 -1.15 0.26 -0.63 0.41 0.00 0.00 173.24 172.03 1g91 s ILE 20 N 2.91 5.30 0.39 1.44 1.09 -1.26 -5.07 121.20 126.00 1g91 s ILE 20 Ca 0.25 0.50 -0.23 0.00 -1.10 0.00 0.00 60.65 60.06 1g91 s ILE 20 Cb -0.12 -3.57 -0.10 0.00 -1.06 0.00 0.00 42.46 37.61 1g91 s ILE 20 CO -0.01 0.52 0.98 -2.16 -0.10 0.00 0.00 174.94 174.16 1g91 s PRO 21 N -0.46 4.30 0.38 2.79 0.04 -1.26 -4.93 135.00 135.86 1g91 s PRO 21 Ca 0.17 1.29 0.27 0.00 0.04 0.00 0.00 61.00 62.77 1g91 s PRO 21 Cb -0.14 -2.46 1.32 0.00 0.04 0.00 0.00 34.50 33.27 1g91 s PRO 21 CO 0.06 0.02 1.81 0.00 0.04 0.00 0.00 177.00 178.94 1g91 n SER 23 N -2.46 0.00 -1.42 0.00 7.64 -1.26 -3.08 113.62 113.04 1g91 n SER 23 Ca -0.00 -0.08 -0.06 0.00 1.01 0.00 0.00 58.87 59.73 1g91 n SER 23 Cb 0.12 -0.30 0.22 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.30 4.83 -4.14 -3.43 7.94 -0.11 -4.97 117.00 115.82 1g91 n LEU 24 Ca 0.13 -3.55 -0.13 0.00 -1.11 0.00 0.00 56.01 51.35 1g91 n LEU 24 Cb 0.23 -0.67 -0.11 0.00 0.53 0.00 0.00 43.42 43.40 1g91 n LEU 24 CO 0.22 1.07 -0.40 -0.76 -1.11 0.00 0.00 177.39 176.41 1g91 s LEU 25 N -3.16 2.40 -0.11 -1.96 1.43 -1.18 -4.40 118.68 111.72 1g91 s LEU 25 Ca 0.48 -0.81 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1g91 s LEU 25 Cb 0.41 -0.19 -0.14 0.00 0.03 0.00 0.00 46.19 46.31 1g91 s LEU 25 CO 0.05 -0.32 0.05 1.21 0.23 0.00 0.00 176.35 177.57 1g91 n GLU 26 N 0.57 2.14 -3.01 1.70 2.13 0.24 -4.74 120.64 119.68 1g91 n GLU 26 Ca -0.16 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1g91 n GLU 26 Cb 0.58 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 31.01 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 -2.39 0.00 -3.52 4.31 2.88 -1.20 -5.02 113.62 108.68 1g91 n SER 27 Ca -0.17 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.29 1g91 n SER 27 Cb 0.84 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.28 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 -2.20 -0.32 0.28 0.66 -0.85 -1.26 -0.47 117.35 113.19 1g91 s TYR 28 Ca 0.00 0.24 0.02 0.00 -0.52 0.00 0.00 57.07 56.81 1g91 s TYR 28 Cb 0.00 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.86 1g91 s TYR 28 CO 0.00 -0.48 0.33 1.97 -1.52 0.00 0.00 175.55 175.85 1g91 n PHE 29 N -0.13 -1.01 -3.99 -3.49 -1.74 -0.89 -4.96 117.46 101.25 1g91 n PHE 29 Ca -0.08 -2.07 -0.21 0.00 -0.56 0.00 0.00 57.45 54.53 1g91 n PHE 29 Cb 0.61 0.36 -0.03 0.00 1.52 0.00 0.00 39.48 41.94 1g91 n PHE 29 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1g91 s GLU 30 N -2.84 3.07 0.89 3.97 2.02 -1.26 -1.14 118.70 123.41 1g91 s GLU 30 Ca 0.27 -0.99 -0.10 0.00 0.02 0.00 0.00 54.97 54.17 1g91 s GLU 30 Cb 0.00 -2.67 0.19 0.00 0.10 0.00 0.00 34.13 31.76 1g91 s GLU 30 CO 0.20 0.35 1.21 0.25 0.02 0.00 0.00 175.26 177.29 1g91 n THR 31 N -1.30 0.00 -2.22 3.63 -2.24 -0.71 -4.86 114.28 106.58 1g91 n THR 31 Ca -0.07 -1.25 -0.40 0.00 -2.27 0.00 0.00 64.05 60.06 1g91 n THR 31 Cb 0.58 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 1g91 n THR 31 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1g91 s ASN 32 N -5.61 6.85 0.42 3.42 4.22 -1.26 -4.88 114.94 118.10 1g91 s ASN 32 Ca 0.73 2.55 0.29 0.00 -2.14 0.00 0.00 52.86 54.29 1g91 s ASN 32 Cb -0.03 -2.64 1.18 0.00 1.28 0.00 0.00 41.25 41.04 1g91 s ASN 32 CO 0.50 -0.46 1.86 -1.28 -2.04 0.00 0.00 177.10 175.68 1g91 h SER 33 N 3.39 0.00 0.88 3.54 0.87 -1.99 -2.44 113.55 117.80 1g91 h SER 33 Ca -0.48 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 1g91 h SER 33 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1g91 h SER 33 CO 0.65 0.00 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.50 1g91 h GLU 34 N 0.00 0.00 -6.86 2.24 5.08 -2.01 -3.44 114.58 109.60 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 0.46 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.78 1g91 h GLU 34 CO 0.00 0.12 0.68 0.00 -1.00 0.00 0.00 179.01 178.81 1g91 h SER 36 N 3.68 0.00 -3.61 0.00 0.87 -1.89 -3.37 113.55 109.23 1g91 h SER 36 Ca -0.49 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.43 1g91 h SER 36 Cb 1.23 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.79 1g91 h SER 36 CO 0.68 0.27 -0.74 -0.54 -0.53 0.00 0.00 176.83 175.96 1g91 s LYS 37 N -4.34 1.44 0.82 2.24 1.02 -1.26 -5.11 119.74 114.56 1g91 s LYS 37 Ca -0.03 -1.61 -0.12 0.00 0.02 0.00 0.00 55.97 54.23 1g91 s LYS 37 Cb 0.15 -2.92 0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1g91 s LYS 37 CO 0.69 -0.88 1.13 -1.25 -0.92 0.00 0.00 175.35 174.13 1g91 s PRO 38 N 1.08 1.87 -0.05 -1.68 0.04 -1.26 -2.98 135.00 132.02 1g91 s PRO 38 Ca 0.07 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1g91 s PRO 38 Cb -0.19 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.54 1g91 s PRO 38 CO -0.10 -1.71 1.34 0.20 0.04 0.00 0.00 177.00 176.76 1g91 s GLY 39 N -4.20 -0.26 -0.13 0.56 0.00 -1.26 -4.73 107.32 97.30 1g91 s GLY 39 Ca 0.62 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.67 1g91 s GLY 39 CO 0.52 4.28 -0.17 0.14 0.00 0.00 0.00 173.10 177.87 1g91 s VAL 40 N -2.07 2.65 -0.31 1.40 1.01 -0.96 -1.75 120.40 120.37 1g91 s VAL 40 Ca 0.26 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1g91 s VAL 40 Cb 0.02 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1g91 s VAL 40 CO -0.03 0.53 0.54 -0.63 0.00 0.00 0.00 175.10 175.51 1g91 s ILE 41 N 0.54 5.01 -0.23 2.22 -1.09 -0.29 0.15 121.20 127.52 1g91 s ILE 41 Ca -0.10 0.63 -0.13 0.00 -2.23 0.00 0.00 60.65 58.82 1g91 s ILE 41 Cb -0.16 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1g91 s ILE 41 CO 0.04 -0.11 0.27 -0.36 -1.23 0.00 0.00 174.94 173.55 1g91 s PHE 42 N 2.43 3.32 -0.01 3.97 0.40 -0.32 -2.10 117.98 125.67 1g91 s PHE 42 Ca 0.21 0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 56.85 1g91 s PHE 42 Cb -0.15 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.93 1g91 s PHE 42 CO 0.12 -0.00 0.25 -1.17 0.70 0.00 0.00 175.22 175.12 1g91 s LEU 43 N 1.29 4.38 0.40 -0.37 2.96 0.38 -1.90 118.68 125.82 1g91 s LEU 43 Ca 0.12 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.67 1g91 s LEU 43 Cb -0.14 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1g91 s LEU 43 CO 0.07 0.28 0.41 0.42 -1.32 0.00 0.00 176.35 176.20 1g91 s THR 44 N -1.25 2.97 -2.00 3.68 -4.23 0.29 -0.60 115.64 114.50 1g91 s THR 44 Ca 0.25 -1.26 0.22 0.00 -1.18 0.00 0.00 61.69 59.73 1g91 s THR 44 Cb -0.13 -3.06 0.63 0.00 1.34 0.00 0.00 72.50 71.28 1g91 s THR 44 CO 0.14 -0.04 1.82 1.17 -0.54 0.00 0.00 174.62 177.18 1g91 n LYS 45 N -1.58 0.96 -1.01 3.99 4.81 -1.26 -3.20 118.16 120.86 1g91 n LYS 45 Ca 0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.35 1g91 n LYS 45 Cb 0.61 -1.36 0.22 0.00 0.02 0.00 0.00 35.03 34.52 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 -0.86 2.52 -3.52 1.64 0.00 -1.26 -4.90 118.16 111.78 1g91 n LYS 46 Ca 0.17 -3.07 -0.24 0.00 0.00 0.00 0.00 58.31 55.16 1g91 n LYS 46 Cb 0.08 -2.06 0.07 0.00 0.00 0.00 0.00 35.03 33.11 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 -0.87 -0.54 2.91 3.14 0.00 -1.19 -4.99 105.19 103.64 1g91 n GLY 47 Ca 0.46 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 46.55 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 -6.24 0.36 0.15 1.61 3.52 -1.26 -4.98 118.95 112.11 1g91 s ARG 48 Ca 0.55 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 56.07 1g91 s ARG 48 Cb -0.24 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.71 1g91 s ARG 48 CO 0.68 0.03 -0.02 -0.98 -0.81 0.00 0.00 175.30 174.19 1g91 s ARG 49 N 0.22 1.02 0.20 5.12 1.70 -1.26 0.10 118.95 126.05 1g91 s ARG 49 Ca -0.02 -1.47 -0.22 0.00 -0.47 0.00 0.00 55.73 53.55 1g91 s ARG 49 Cb -0.05 -0.25 0.05 0.00 -0.57 0.00 0.00 34.95 34.13 1g91 s ARG 49 CO -0.00 -0.09 0.63 -0.59 -1.08 0.00 0.00 175.30 174.17 1g91 s PHE 50 N -3.65 -0.39 0.41 5.89 -0.12 -0.80 -4.97 117.98 114.36 1g91 s PHE 50 Ca 0.20 0.08 -0.25 0.00 -0.05 0.00 0.00 56.93 56.91 1g91 s PHE 50 Cb 0.06 0.60 -0.08 0.00 -0.63 0.00 0.00 43.02 42.96 1g91 s PHE 50 CO 0.01 -0.99 1.18 0.00 -0.05 0.00 0.00 175.22 175.37 1g91 s ALA 52 N -1.43 0.82 -0.09 0.00 0.00 0.40 -2.35 121.76 119.11 1g91 s ALA 52 Ca 0.59 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 1g91 s ALA 52 Cb -0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1g91 s ALA 52 CO 0.38 0.20 0.97 1.21 0.00 0.00 0.00 175.76 178.52 1g91 s ASN 53 N -0.20 7.22 0.00 0.00 3.84 -1.26 -2.27 114.94 122.27 1g91 s ASN 53 Ca 0.03 1.49 0.22 0.00 0.21 0.00 0.00 52.86 54.81 1g91 s ASN 53 Cb -0.04 -2.54 1.28 0.00 -0.55 0.00 0.00 41.25 39.40 1g91 s ASN 53 CO -0.00 -0.39 1.73 -0.81 -2.79 0.00 0.00 177.10 174.83 1g91 n PRO 54 N 4.78 0.83 0.00 0.43 -0.04 -1.26 -2.56 135.00 137.18 1g91 n PRO 54 Ca 0.07 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1g91 n PRO 54 Cb 0.49 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.90 2.05 -4.75 3.54 7.64 -1.26 -4.83 113.62 115.10 1g91 n SER 55 Ca 0.16 -1.53 -0.40 0.00 1.01 0.00 0.00 58.87 58.11 1g91 n SER 55 Cb 0.07 0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.34 7.51 0.24 6.43 -1.08 -1.06 -4.94 116.67 122.43 1g91 s ASP 56 Ca 0.16 1.79 -0.07 0.00 -0.52 0.00 0.00 52.55 53.91 1g91 s ASP 56 Cb 0.12 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 39.28 1g91 s ASP 56 CO 0.22 0.12 1.91 0.11 0.52 0.00 0.00 175.17 178.05 1g91 h LYS 57 N 4.59 1.21 -0.36 4.34 1.57 -1.93 -0.65 116.57 125.34 1g91 h LYS 57 Ca -0.45 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.33 1g91 h LYS 57 Cb 1.20 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1g91 h LYS 57 CO 0.68 0.80 0.25 -0.56 -0.57 0.00 0.00 179.45 180.05 1g91 h GLN 58 N 1.24 0.17 -0.11 3.15 3.07 -1.95 -0.59 115.11 120.10 1g91 h GLN 58 Ca 0.36 -0.01 -0.21 0.00 0.09 0.00 0.00 58.65 58.88 1g91 h GLN 58 Cb -0.09 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.43 1g91 h GLN 58 CO -0.09 0.11 -0.77 0.28 0.09 0.00 0.00 178.83 178.45 1g91 h VAL 59 N 0.18 1.33 -0.23 1.86 2.07 -1.40 -2.47 116.25 117.58 1g91 h VAL 59 Ca 0.16 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 1g91 h VAL 59 Cb 0.42 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1g91 h VAL 59 CO -0.03 0.64 -0.08 1.56 0.02 0.00 0.00 177.57 179.68 1g91 h GLN 60 N 0.41 0.36 -0.04 1.57 1.08 -0.69 0.21 115.11 118.02 1g91 h GLN 60 Ca -0.05 -0.08 -0.21 0.00 -1.45 0.00 0.00 58.65 56.86 1g91 h GLN 60 Cb 1.37 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1g91 h GLN 60 CO 0.15 0.46 -0.85 0.28 -0.95 0.00 0.00 178.83 177.92 1g91 h VAL 61 N 0.35 1.38 0.00 -0.54 2.07 -1.28 -2.12 116.25 116.11 1g91 h VAL 61 Ca 0.07 -2.30 -0.25 0.00 0.82 0.00 0.00 66.70 65.05 1g91 h VAL 61 Cb 0.37 2.27 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1g91 h VAL 61 CO 0.02 0.69 -1.01 0.00 0.02 0.00 0.00 177.57 177.29 1g91 h MET 63 N 0.32 0.65 0.00 0.00 3.00 -0.63 0.30 114.93 118.57 1g91 h MET 63 Ca -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 59.70 59.31 1g91 h MET 63 Cb 1.65 -0.03 -0.00 0.00 0.00 0.00 0.00 31.60 33.22 1g91 h MET 63 CO 0.19 0.85 -0.07 -0.09 0.00 0.00 0.00 176.91 177.78 1g91 h ARG 64 N 0.56 0.00 0.07 -0.10 1.12 -1.39 -3.21 114.38 111.44 1g91 h ARG 64 Ca 0.08 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.59 1g91 h ARG 64 Cb 0.74 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.67 1g91 h ARG 64 CO 0.06 0.07 -2.02 -0.12 -3.11 0.00 0.00 179.97 174.85 1g91 n MET 65 N -3.18 0.69 -0.90 0.20 1.56 -0.88 -4.43 117.12 110.19 1g91 n MET 65 Ca 0.01 0.29 -0.27 0.00 -0.27 0.00 0.00 57.70 57.45 1g91 n MET 65 Cb 0.37 -1.66 -0.02 0.00 2.15 0.00 0.00 33.22 34.06 1g91 n MET 65 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1g91 n LEU 66 N -3.65 5.44 -4.25 -0.89 4.77 0.10 -4.91 117.00 113.61 1g91 n LEU 66 Ca -0.37 -3.14 -0.30 0.00 -0.03 0.00 0.00 56.01 52.18 1g91 n LEU 66 Cb 0.96 -1.18 0.28 0.00 -2.33 0.00 0.00 43.42 41.16 1g91 n LEU 66 CO 0.32 0.73 0.35 0.29 -1.33 0.00 0.00 177.39 177.75 1g91 n LYS 67 N 4.50 -4.41 -0.91 3.23 4.76 -1.26 -4.66 118.16 119.41 1g91 n LYS 67 Ca 0.50 -1.30 -0.42 0.00 -2.87 0.00 0.00 58.31 54.22 1g91 n LYS 67 Cb 0.18 -1.94 -0.07 0.00 -1.84 0.00 0.00 35.03 31.36 1g91 n LYS 67 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1g91 n LEU 68 N -5.45 3.09 -0.01 -0.35 7.94 -1.26 -4.46 117.00 116.50 1g91 n LEU 68 Ca 0.11 -2.43 0.13 0.00 -1.11 0.00 0.00 56.01 52.72 1g91 n LEU 68 Cb 0.58 -0.91 0.43 0.00 0.53 0.00 0.00 43.42 44.05 1g91 n LEU 68 CO 0.42 -0.84 0.69 -0.67 -1.11 0.00 0.00 177.39 175.88 1g91 n ASP 69 N 7.75 0.30 -4.52 1.96 2.03 -1.26 -4.91 116.55 117.90 1g91 n ASP 69 Ca 0.47 0.03 -0.42 0.00 0.52 0.00 0.00 54.79 55.39 1g91 n ASP 69 Cb 0.39 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.45 2.06 -2.81 5.18 -1.04 -1.26 -4.95 114.28 110.01 1g91 n THR 70 Ca 0.07 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.49 1g91 n THR 70 Cb 0.33 -0.77 0.02 0.00 -1.82 0.00 0.00 70.33 68.09 1g91 n THR 70 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1g91 n ARG 71 N 0.46 0.66 -1.26 -2.82 1.85 -1.26 -5.03 116.66 109.26 1g91 n ARG 71 Ca 0.11 -2.00 -0.37 0.00 -1.00 0.00 0.00 57.85 54.58 1g91 n ARG 71 Cb 0.38 -1.46 -0.03 0.00 -1.05 0.00 0.00 32.46 30.30 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1g91 n ILE 72 N 2.16 2.95 -1.07 8.89 5.41 -1.26 -4.72 119.36 131.72 1g91 n ILE 72 Ca 0.14 -2.18 -0.14 0.00 1.00 0.00 0.00 62.75 61.57 1g91 n ILE 72 Cb 0.59 -2.42 -0.14 0.00 -0.71 0.00 0.00 39.64 36.96 1g91 n ILE 72 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1g91 n LYS 73 N 5.40 2.03 0.00 0.38 5.02 -1.26 -4.91 118.16 124.82 1g91 n LYS 73 Ca 0.55 -1.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 1g91 n LYS 73 Cb 0.30 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1g91 n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1g91 n THR 74 N 2.16 0.00 -4.24 -0.18 -2.24 -1.26 -5.08 114.28 103.44 1g91 n THR 74 Ca 0.42 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.04 1g91 n THR 74 Cb 0.84 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 1g91 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g91 s ARG 75 N -1.68 1.61 -0.30 -0.78 1.70 -1.26 -5.15 118.95 113.10 1g91 s ARG 75 Ca 0.00 -1.87 -0.06 0.00 -0.47 0.00 0.00 55.73 53.33 1g91 s ARG 75 Cb 0.00 0.32 0.19 0.00 -0.57 0.00 0.00 34.95 34.89 1g91 s ARG 75 CO 0.00 -0.59 0.91 0.21 -1.08 0.00 0.00 175.30 174.75 1g91 s LYS 76 N -3.62 0.27 0.00 3.89 2.20 -1.26 -5.31 119.74 115.90 1g91 s LYS 76 Ca 0.39 0.26 0.05 0.00 -0.36 0.00 0.00 55.97 56.31 1g91 s LYS 76 Cb 0.03 0.12 0.30 0.00 -1.51 0.00 0.00 37.83 36.77 1g91 s LYS 76 CO 0.22 -0.49 0.77 0.27 -0.36 0.00 0.00 175.35 175.76