#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 -8.01 -2.78 6.12 9.92 -1.26 -4.85 116.55 115.69 1g91 n ASP 2 Ca 0.00 0.77 -0.12 0.00 -0.53 0.00 0.00 54.79 54.91 1g91 n ASP 2 Cb 0.00 -4.30 0.08 0.00 -0.64 0.00 0.00 41.12 36.26 1g91 n ASP 2 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1g91 n ARG 3 N -4.06 -0.54 -4.55 -1.24 1.74 -1.26 -5.07 116.66 101.69 1g91 n ARG 3 Ca -0.02 -0.84 -0.32 0.00 -0.77 0.00 0.00 57.85 55.91 1g91 n ARG 3 Cb 0.66 -0.56 -0.16 0.00 -1.02 0.00 0.00 32.46 31.38 1g91 n ARG 3 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1g91 s PHE 4 N -2.19 2.52 -0.23 -1.55 -0.71 -1.26 -5.00 117.98 109.56 1g91 s PHE 4 Ca 0.31 -1.29 -0.07 0.00 -1.04 0.00 0.00 56.93 54.84 1g91 s PHE 4 Cb -0.01 -1.74 -0.18 0.00 -1.21 0.00 0.00 43.02 39.89 1g91 s PHE 4 CO 0.22 -0.61 -0.09 0.72 -1.34 0.00 0.00 175.22 174.12 1g91 n HIS 5 N 4.18 0.38 -0.20 3.49 8.25 -1.26 -4.96 115.22 125.09 1g91 n HIS 5 Ca -0.20 0.11 -0.24 0.00 -0.26 0.00 0.00 57.72 57.14 1g91 n HIS 5 Cb 0.51 -1.05 0.23 0.00 1.12 0.00 0.00 29.99 30.81 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 -3.51 -4.08 0.35 -1.41 0.00 -1.26 -4.93 120.51 105.67 1g91 n ALA 6 Ca -0.44 -1.19 0.07 0.00 0.00 0.00 0.00 53.44 51.88 1g91 n ALA 6 Cb 0.93 -0.11 0.10 0.00 0.00 0.00 0.00 19.45 20.38 1g91 n ALA 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g91 n THR 7 N -5.20 0.29 -2.47 0.00 -2.24 -1.26 -4.88 114.28 98.53 1g91 n THR 7 Ca 0.11 -0.65 -0.40 0.00 -2.27 0.00 0.00 64.05 60.84 1g91 n THR 7 Cb 0.46 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1g91 n THR 7 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1g91 s SER 8 N -1.13 6.15 0.46 3.42 0.01 -1.26 -4.98 113.70 116.37 1g91 s SER 8 Ca 0.20 -0.83 0.05 0.00 1.31 0.00 0.00 55.95 56.69 1g91 s SER 8 Cb 0.13 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.81 1g91 s SER 8 CO 0.18 -1.82 0.64 0.00 0.41 0.00 0.00 173.24 172.66 1g91 s ALA 9 N 6.05 4.26 0.10 1.44 0.00 -1.26 -5.05 121.76 127.29 1g91 s ALA 9 Ca 0.45 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1g91 s ALA 9 Cb -0.05 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1g91 s ALA 9 CO 0.04 -0.44 0.00 -3.47 0.00 0.00 0.00 175.76 171.89 1g91 n ASP 10 N -2.02 0.53 -4.81 0.00 -0.08 -1.26 -5.05 116.55 103.86 1g91 n ASP 10 Ca 0.07 0.16 -0.36 0.00 -1.51 0.00 0.00 54.79 53.15 1g91 n ASP 10 Cb 0.59 -0.10 -0.06 0.00 2.34 0.00 0.00 41.12 43.89 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 5.95 0.88 -4.05 0.00 3.06 -1.26 -4.33 119.36 119.60 1g91 n ILE 13 Ca 0.01 -0.70 -0.16 0.00 -2.50 0.00 0.00 62.75 59.39 1g91 n ILE 13 Cb 0.48 -0.36 -0.15 0.00 0.54 0.00 0.00 39.64 40.16 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1g91 s SER 14 N -5.21 0.48 0.17 9.51 1.04 -1.26 -5.05 113.70 113.38 1g91 s SER 14 Ca -0.08 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.31 1g91 s SER 14 Cb 0.09 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1g91 s SER 14 CO 0.85 -0.00 0.31 -0.31 0.98 0.00 0.00 173.24 175.07 1g91 s TYR 15 N 0.29 3.48 0.16 5.02 2.02 -1.26 -4.64 117.35 122.43 1g91 s TYR 15 Ca -0.03 0.15 -0.32 0.00 -0.37 0.00 0.00 57.07 56.51 1g91 s TYR 15 Cb -0.06 -1.69 -0.11 0.00 -0.40 0.00 0.00 41.96 39.70 1g91 s TYR 15 CO -0.01 0.48 1.68 -0.08 -1.57 0.00 0.00 175.55 176.06 1g91 s THR 16 N -1.79 2.43 -0.70 -0.71 -1.32 -1.04 -4.84 115.64 107.67 1g91 s THR 16 Ca 0.35 0.22 -0.07 0.00 -1.21 0.00 0.00 61.69 60.98 1g91 s THR 16 Cb -0.11 -3.14 -0.17 0.00 -1.51 0.00 0.00 72.50 67.57 1g91 s THR 16 CO 0.29 0.01 3.11 -0.81 -2.21 0.00 0.00 174.62 175.01 1g91 n PRO 17 N 4.46 2.58 -3.64 7.08 -0.04 -1.26 -4.75 135.00 139.43 1g91 n PRO 17 Ca 0.16 -1.46 -0.06 0.00 -0.04 0.00 0.00 63.50 62.10 1g91 n PRO 17 Cb 0.37 -2.32 -0.07 0.00 -0.04 0.00 0.00 33.50 31.44 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 1.74 0.53 -0.59 0.54 0.52 -1.26 -5.09 118.95 115.34 1g91 s ARG 18 Ca 0.63 0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 56.41 1g91 s ARG 18 Cb 0.23 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.84 1g91 s ARG 18 CO -0.03 -0.10 1.83 -1.54 0.02 0.00 0.00 175.30 175.48 1g91 s SER 19 N 1.13 5.37 0.09 0.23 1.04 -1.26 -4.95 113.70 115.34 1g91 s SER 19 Ca -0.06 0.39 -0.27 0.00 0.48 0.00 0.00 55.95 56.49 1g91 s SER 19 Cb -0.04 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 1g91 s SER 19 CO -0.13 -2.29 0.84 -0.63 0.98 0.00 0.00 173.24 172.01 1g91 s ILE 20 N 8.73 4.57 0.35 -1.02 -1.09 -1.26 -5.03 121.20 126.44 1g91 s ILE 20 Ca 0.67 1.81 -0.25 0.00 -2.23 0.00 0.00 60.65 60.64 1g91 s ILE 20 Cb -0.13 -4.20 -0.10 0.00 -1.58 0.00 0.00 42.46 36.45 1g91 s ILE 20 CO 0.22 0.38 0.97 -2.16 -1.23 0.00 0.00 174.94 173.11 1g91 s PRO 21 N -0.24 4.47 0.10 2.79 0.04 -1.26 -4.93 135.00 135.97 1g91 s PRO 21 Ca 0.41 1.36 0.18 0.00 0.04 0.00 0.00 61.00 63.00 1g91 s PRO 21 Cb -0.22 -2.71 0.77 0.00 0.04 0.00 0.00 34.50 32.38 1g91 s PRO 21 CO 0.26 0.17 1.57 0.00 0.04 0.00 0.00 177.00 179.03 1g91 h SER 23 N 0.00 0.40 -0.64 0.00 0.02 -2.02 0.59 113.55 111.89 1g91 h SER 23 Ca 0.00 0.07 -0.32 0.00 -0.84 0.00 0.00 61.79 60.70 1g91 h SER 23 Cb 0.30 0.01 -0.19 0.00 0.14 0.00 0.00 62.40 62.65 1g91 h SER 23 CO 0.00 0.09 0.25 0.00 -1.14 0.00 0.00 176.83 176.02 1g91 n LEU 24 N -4.57 5.32 -4.08 5.07 -0.00 -1.17 -4.93 117.00 112.64 1g91 n LEU 24 Ca 0.24 -3.66 -0.27 0.00 -0.00 0.00 0.00 56.01 52.33 1g91 n LEU 24 Cb 0.89 -0.72 -0.17 0.00 -0.00 0.00 0.00 43.42 43.42 1g91 n LEU 24 CO 0.28 1.14 -0.50 -0.76 -0.00 0.00 0.00 177.39 177.55 1g91 s LEU 25 N -3.25 1.77 0.00 1.47 1.43 0.21 -3.68 118.68 116.64 1g91 s LEU 25 Ca 0.50 -0.38 0.18 0.00 -1.03 0.00 0.00 54.13 53.40 1g91 s LEU 25 Cb 0.44 -1.00 -0.18 0.00 0.03 0.00 0.00 46.19 45.48 1g91 s LEU 25 CO 0.05 0.07 0.65 1.21 0.23 0.00 0.00 176.35 178.56 1g91 n GLU 26 N 3.75 0.64 -3.96 1.70 2.13 0.05 -4.91 120.64 120.03 1g91 n GLU 26 Ca -0.22 0.13 0.01 0.00 0.66 0.00 0.00 57.16 57.75 1g91 n GLU 26 Cb 0.52 -1.72 0.01 0.00 0.27 0.00 0.00 31.44 30.52 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1g91 s SER 27 N -5.58 0.01 0.20 4.31 1.04 -1.23 -4.85 113.70 107.59 1g91 s SER 27 Ca -0.05 -0.33 -0.17 0.00 0.48 0.00 0.00 55.95 55.88 1g91 s SER 27 Cb 0.09 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.47 1g91 s SER 27 CO 0.83 -0.48 0.53 -0.72 0.98 0.00 0.00 173.24 174.38 1g91 s TYR 28 N -2.05 -0.10 0.39 5.02 -0.85 -1.26 -1.34 117.35 117.16 1g91 s TYR 28 Ca 0.28 -0.25 -0.12 0.00 -0.52 0.00 0.00 57.07 56.45 1g91 s TYR 28 Cb -0.01 0.40 0.05 0.00 0.38 0.00 0.00 41.96 42.78 1g91 s TYR 28 CO 0.01 -0.94 0.72 -0.59 -1.52 0.00 0.00 175.55 173.23 1g91 s PHE 29 N -3.88 0.39 0.27 -3.49 -0.71 -0.31 -4.97 117.98 105.27 1g91 s PHE 29 Ca 0.10 -0.97 0.08 0.00 -1.04 0.00 0.00 56.93 55.10 1g91 s PHE 29 Cb -0.01 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.39 1g91 s PHE 29 CO -0.02 -1.50 0.09 -1.21 -1.34 0.00 0.00 175.22 171.24 1g91 s GLU 30 N -2.33 2.55 0.64 1.99 2.02 -1.26 0.06 118.70 122.36 1g91 s GLU 30 Ca 0.19 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 1g91 s GLU 30 Cb -0.04 -2.32 0.03 0.00 0.10 0.00 0.00 34.13 31.90 1g91 s GLU 30 CO 0.14 0.36 0.94 0.95 0.02 0.00 0.00 175.26 177.68 1g91 s THR 31 N -2.26 2.93 0.10 3.63 -4.23 -0.92 -4.88 115.64 110.02 1g91 s THR 31 Ca 0.32 -0.18 -0.31 0.00 -1.18 0.00 0.00 61.69 60.34 1g91 s THR 31 Cb -0.07 -3.21 -0.09 0.00 1.34 0.00 0.00 72.50 70.48 1g91 s THR 31 CO 0.22 -0.21 1.58 0.20 -0.54 0.00 0.00 174.62 175.87 1g91 s ASN 32 N -4.41 6.64 0.58 3.99 0.02 -1.26 -4.81 114.94 115.69 1g91 s ASN 32 Ca 0.57 2.48 0.29 0.00 -1.02 0.00 0.00 52.86 55.19 1g91 s ASN 32 Cb -0.11 -2.58 1.44 0.00 0.02 0.00 0.00 41.25 40.03 1g91 s ASN 32 CO 0.44 -0.83 1.84 0.28 0.02 0.00 0.00 177.10 178.86 1g91 h SER 33 N 7.59 0.00 -0.06 -1.22 0.02 -2.00 0.35 113.55 118.24 1g91 h SER 33 Ca -0.42 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1g91 h SER 33 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1g91 h SER 33 CO 0.92 0.00 0.30 -0.33 -1.14 0.00 0.00 176.83 176.57 1g91 h GLU 34 N 0.00 0.00 -6.39 3.45 4.39 -2.02 -3.40 114.58 110.61 1g91 h GLU 34 Ca 0.28 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.44 1g91 h GLU 34 Cb 1.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 1g91 h GLU 34 CO -0.00 0.00 0.67 0.00 -1.16 0.00 0.00 179.01 178.52 1g91 h SER 36 N 7.27 0.35 -3.98 0.00 4.64 -1.88 -3.24 113.55 116.71 1g91 h SER 36 Ca -0.38 0.12 -0.69 0.00 -0.47 0.00 0.00 61.79 60.36 1g91 h SER 36 Cb 1.18 0.08 -0.35 0.00 -0.31 0.00 0.00 62.40 63.00 1g91 h SER 36 CO 0.86 0.11 -0.42 -0.54 -0.87 0.00 0.00 176.83 175.97 1g91 s LYS 37 N -5.98 2.40 0.84 4.77 -0.14 -1.26 -5.08 119.74 115.30 1g91 s LYS 37 Ca -0.12 -2.36 -0.12 0.00 -1.36 0.00 0.00 55.97 52.01 1g91 s LYS 37 Cb 0.22 -3.68 0.10 0.00 -1.68 0.00 0.00 37.83 32.79 1g91 s LYS 37 CO 0.77 -1.15 1.15 -1.25 -0.76 0.00 0.00 175.35 174.12 1g91 s PRO 38 N 0.23 1.71 0.00 -1.68 0.04 -1.23 -3.60 135.00 130.48 1g91 s PRO 38 Ca 0.15 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1g91 s PRO 38 Cb -0.21 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1g91 s PRO 38 CO -0.03 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.62 1g91 n GLY 39 N -2.77 -1.22 3.52 0.56 0.00 -1.26 -4.91 105.19 99.11 1g91 n GLY 39 Ca 0.07 -0.96 -0.34 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 -2.35 3.81 -0.01 1.61 1.01 -0.95 -2.17 120.40 121.36 1g91 s VAL 40 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1g91 s VAL 40 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1g91 s VAL 40 CO 0.00 0.53 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 1g91 s ILE 41 N 0.02 4.63 -0.09 2.22 1.01 0.11 0.53 121.20 129.62 1g91 s ILE 41 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1g91 s ILE 41 Cb -0.13 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1g91 s ILE 41 CO 0.03 0.37 -0.21 -0.36 0.00 0.00 0.00 174.94 174.76 1g91 s PHE 42 N -1.16 2.32 -0.12 3.97 0.40 -0.41 -1.16 117.98 121.83 1g91 s PHE 42 Ca 0.22 -0.94 -0.07 0.00 -0.60 0.00 0.00 56.93 55.54 1g91 s PHE 42 Cb -0.12 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1g91 s PHE 42 CO 0.13 -0.39 0.13 -1.17 0.70 0.00 0.00 175.22 174.61 1g91 s LEU 43 N 0.41 4.32 0.57 -0.37 2.96 -0.45 -1.92 118.68 124.20 1g91 s LEU 43 Ca -0.18 0.44 0.08 0.00 -0.22 0.00 0.00 54.13 54.25 1g91 s LEU 43 Cb -0.18 -2.05 0.08 0.00 0.50 0.00 0.00 46.19 44.54 1g91 s LEU 43 CO 0.08 0.40 0.68 0.42 -1.32 0.00 0.00 176.35 176.61 1g91 s THR 44 N -0.99 1.95 -2.00 3.68 -4.23 0.21 -0.77 115.64 113.49 1g91 s THR 44 Ca 0.15 -1.16 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 1g91 s THR 44 Cb -0.12 -2.10 0.57 0.00 1.34 0.00 0.00 72.50 72.19 1g91 s THR 44 CO 0.04 0.00 1.76 1.17 -0.54 0.00 0.00 174.62 177.05 1g91 n LYS 45 N -2.11 0.98 -0.98 3.99 4.81 -1.24 -3.20 118.16 120.42 1g91 n LYS 45 Ca 0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.44 1g91 n LYS 45 Cb 0.63 -1.32 0.23 0.00 0.02 0.00 0.00 35.03 34.59 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 -0.82 2.62 -2.16 1.64 4.76 -1.26 -4.89 118.16 118.04 1g91 n LYS 46 Ca 0.15 -3.07 -0.18 0.00 -2.87 0.00 0.00 58.31 52.34 1g91 n LYS 46 Cb 0.07 -2.06 -0.03 0.00 -1.84 0.00 0.00 35.03 31.17 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1g91 n GLY 47 N -0.80 0.13 3.35 0.72 0.00 -1.19 -4.96 105.19 102.44 1g91 n GLY 47 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.62 1.33 0.10 1.61 6.06 -1.26 -4.95 118.95 117.21 1g91 s ARG 48 Ca 0.00 -1.40 -0.13 0.00 -2.50 0.00 0.00 55.73 51.71 1g91 s ARG 48 Cb 0.00 -1.52 0.02 0.00 0.06 0.00 0.00 34.95 33.51 1g91 s ARG 48 CO 0.00 0.32 0.30 -0.98 -2.50 0.00 0.00 175.30 172.45 1g91 s ARG 49 N -2.57 0.94 0.07 5.12 1.70 -1.26 0.66 118.95 123.61 1g91 s ARG 49 Ca 0.15 -0.78 -0.07 0.00 -0.47 0.00 0.00 55.73 54.56 1g91 s ARG 49 Cb -0.07 0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1g91 s ARG 49 CO 0.07 -0.33 0.14 -0.59 -1.08 0.00 0.00 175.30 173.51 1g91 s PHE 50 N -3.64 0.20 0.65 5.89 -0.12 -0.81 -4.92 117.98 115.23 1g91 s PHE 50 Ca 0.03 -0.59 -0.11 0.00 -0.05 0.00 0.00 56.93 56.20 1g91 s PHE 50 Cb 0.03 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 1g91 s PHE 50 CO -0.10 -0.47 1.04 0.00 -0.05 0.00 0.00 175.22 175.64 1g91 s ALA 52 N -3.10 -0.96 -0.12 0.00 0.00 0.19 -2.50 121.76 115.27 1g91 s ALA 52 Ca 0.57 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.65 1g91 s ALA 52 Cb -0.12 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1g91 s ALA 52 CO 0.54 -0.37 0.82 1.21 0.00 0.00 0.00 175.76 177.95 1g91 s ASN 53 N -1.69 7.03 0.00 0.00 2.47 -1.26 -2.23 114.94 119.25 1g91 s ASN 53 Ca -0.09 1.25 0.24 0.00 0.42 0.00 0.00 52.86 54.69 1g91 s ASN 53 Cb -0.02 -2.46 1.19 0.00 -1.45 0.00 0.00 41.25 38.50 1g91 s ASN 53 CO 0.01 -0.30 1.79 -0.81 -3.72 0.00 0.00 177.10 174.07 1g91 n PRO 54 N 4.65 0.30 0.00 0.43 -0.04 -1.26 -2.58 135.00 136.50 1g91 n PRO 54 Ca 0.03 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1g91 n PRO 54 Cb 0.50 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.31 0.43 -4.74 3.54 7.64 -1.26 -4.63 113.62 113.29 1g91 n SER 55 Ca 0.11 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.42 1g91 n SER 55 Cb 0.20 0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.40 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 -2.91 7.47 0.52 6.43 -1.08 -1.07 -4.92 116.67 121.10 1g91 s ASP 56 Ca 0.14 1.75 0.17 0.00 -0.52 0.00 0.00 52.55 54.10 1g91 s ASP 56 Cb 0.18 -2.57 1.27 0.00 -1.46 0.00 0.00 42.92 40.35 1g91 s ASP 56 CO 0.63 0.01 2.11 0.07 0.52 0.00 0.00 175.17 178.50 1g91 h LYS 57 N 5.26 0.03 -0.39 4.34 2.10 -1.90 -0.12 116.57 125.89 1g91 h LYS 57 Ca -0.44 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1g91 h LYS 57 Cb 1.21 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 1g91 h LYS 57 CO 0.71 0.02 0.23 1.96 -2.00 0.00 0.00 179.45 180.36 1g91 h GLN 58 N 0.03 0.52 -0.03 0.07 1.08 -1.93 0.15 115.11 115.00 1g91 h GLN 58 Ca 0.06 -0.04 -0.24 0.00 -1.45 0.00 0.00 58.65 56.99 1g91 h GLN 58 Cb 0.21 -0.11 0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1g91 h GLN 58 CO -0.00 0.37 -0.90 0.28 -0.95 0.00 0.00 178.83 177.63 1g91 h VAL 59 N 0.53 1.31 0.00 -0.54 2.07 -1.28 -2.35 116.25 115.98 1g91 h VAL 59 Ca 0.14 -2.15 -0.07 0.00 0.82 0.00 0.00 66.70 65.44 1g91 h VAL 59 Cb -0.01 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1g91 h VAL 59 CO -0.03 0.66 -0.33 1.56 0.02 0.00 0.00 177.57 179.46 1g91 h GLN 60 N 0.33 0.00 -0.02 1.57 4.20 -1.05 -0.10 115.11 120.04 1g91 h GLN 60 Ca -0.10 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.41 1g91 h GLN 60 Cb 1.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 1g91 h GLN 60 CO 0.18 0.33 -0.83 0.28 -0.67 0.00 0.00 178.83 178.11 1g91 h VAL 61 N 0.00 1.45 0.06 -0.54 2.07 -0.66 -2.98 116.25 115.65 1g91 h VAL 61 Ca -0.00 -2.46 -0.18 0.00 0.82 0.00 0.00 66.70 64.89 1g91 h VAL 61 Cb 0.60 2.36 0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1g91 h VAL 61 CO 0.04 0.72 -0.72 0.00 0.02 0.00 0.00 177.57 177.63 1g91 h MET 63 N -0.17 0.00 0.54 0.00 3.00 -1.09 -1.29 114.93 115.92 1g91 h MET 63 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 59.70 59.57 1g91 h MET 63 Cb 1.47 0.00 0.01 0.00 0.00 0.00 0.00 31.60 33.08 1g91 h MET 63 CO 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 176.91 176.79 1g91 h ARG 64 N 0.00 -0.70 0.39 -0.10 2.47 -1.51 -3.32 114.38 111.62 1g91 h ARG 64 Ca 0.05 0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1g91 h ARG 64 Cb 0.25 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1g91 h ARG 64 CO -0.00 -0.44 -0.36 1.98 0.56 0.00 0.00 179.97 181.71 1g91 h MET 65 N -1.17 -0.74 -3.55 0.04 4.05 -1.47 -2.92 114.93 109.17 1g91 h MET 65 Ca -0.07 0.05 -0.37 0.00 -0.28 0.00 0.00 59.70 59.02 1g91 h MET 65 Cb 0.58 0.17 0.02 0.00 -0.80 0.00 0.00 31.60 31.56 1g91 h MET 65 CO 0.12 -0.49 2.49 1.28 0.23 0.00 0.00 176.91 180.54 1g91 n LEU 66 N -5.47 4.56 0.00 3.39 4.32 -0.51 -4.72 117.00 118.57 1g91 n LEU 66 Ca -0.10 -2.77 0.00 0.00 -0.02 0.00 0.00 56.01 53.11 1g91 n LEU 66 Cb 0.37 -1.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 1g91 n LEU 66 CO 0.29 0.43 0.04 0.29 -1.22 0.00 0.00 177.39 177.22 1g91 n LYS 67 N 4.47 0.00 0.00 3.23 5.02 -1.11 -4.82 118.16 124.95 1g91 n LYS 67 Ca 0.42 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1g91 n LYS 67 Cb 0.14 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 1g91 n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g91 n LEU 68 N -0.10 0.00 -2.12 -0.35 4.77 -1.26 -4.82 117.00 113.12 1g91 n LEU 68 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1g91 n LEU 68 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1g91 n LEU 68 CO 0.00 0.00 1.58 0.47 -1.33 0.00 0.00 177.39 178.11 1g91 n ASP 69 N 0.00 5.62 0.00 -1.43 9.92 -1.26 -4.97 116.55 124.43 1g91 n ASP 69 Ca 0.00 -2.70 0.00 0.00 -0.53 0.00 0.00 54.79 51.56 1g91 n ASP 69 Cb 0.00 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.13 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 1.96 0.00 -4.37 -3.53 5.66 -1.26 -4.68 114.28 108.06 1g91 n THR 70 Ca 0.43 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 61.16 1g91 n THR 70 Cb 0.79 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.45 1g91 n THR 70 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1g91 s ARG 71 N 0.00 1.35 -0.62 1.09 0.52 -1.26 -5.09 118.95 114.94 1g91 s ARG 71 Ca 0.00 -1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 53.84 1g91 s ARG 71 Cb 0.00 -1.73 0.16 0.00 0.52 0.00 0.00 34.95 33.90 1g91 s ARG 71 CO 0.00 0.40 0.44 0.42 0.02 0.00 0.00 175.30 176.57 1g91 s ILE 72 N -1.29 3.65 -0.24 1.52 -1.09 -1.26 -4.88 121.20 117.61 1g91 s ILE 72 Ca 0.14 -3.01 0.11 0.00 -2.23 0.00 0.00 60.65 55.66 1g91 s ILE 72 Cb -0.09 -3.39 0.45 0.00 -1.58 0.00 0.00 42.46 37.85 1g91 s ILE 72 CO 0.06 -0.88 1.19 0.29 -1.23 0.00 0.00 174.94 174.38 1g91 n LYS 73 N 3.43 2.56 0.00 2.79 5.02 -1.26 -4.87 118.16 125.83 1g91 n LYS 73 Ca 0.08 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.67 1g91 n LYS 73 Cb 0.37 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1g91 n LYS 73 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1g91 n THR 74 N -0.76 0.00 -3.12 -0.18 -1.04 -1.26 -5.17 114.28 102.75 1g91 n THR 74 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1g91 n THR 74 Cb 0.87 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 1g91 n THR 74 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1g91 n ARG 75 N -1.47 0.00 0.12 -2.82 1.74 -1.26 -5.10 116.66 107.87 1g91 n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1g91 n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.00 0.00 -0.53 5.56 5.02 -1.26 -5.03 118.16 121.92 1g91 n LYS 76 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1g91 n LYS 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17