#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri9 n LYS 8 N 0.00 0.08 0.28 3.44 0.00 -1.26 -1.41 118.16 119.29 1ri9 n LYS 8 Ca 0.00 0.50 0.13 0.00 0.00 0.00 0.00 58.31 58.93 1ri9 n LYS 8 Cb 0.00 -1.71 0.80 0.00 0.00 0.00 0.00 35.03 34.11 1ri9 n LYS 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1ri9 h GLU 9 N 0.00 0.00 -0.77 1.64 4.39 -1.97 -1.49 114.58 116.38 1ri9 h GLU 9 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ri9 h GLU 9 Cb 0.09 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1ri9 h GLU 9 CO 0.00 0.04 0.40 1.49 -1.16 0.00 0.00 179.01 179.78 1ri9 h GLU 10 N 0.00 1.09 -0.09 2.33 4.22 -1.39 1.12 114.58 121.86 1ri9 h GLU 10 Ca -0.00 -0.14 -0.13 0.00 0.08 0.00 0.00 59.36 59.17 1ri9 h GLU 10 Cb 0.09 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ri9 h GLU 10 CO 0.01 0.82 -0.52 0.87 -2.18 0.00 0.00 179.01 178.01 1ri9 h LYS 11 N 1.08 0.26 0.01 1.92 6.56 -1.48 -2.48 116.57 122.43 1ri9 h LYS 11 Ca 0.27 -0.15 -0.19 0.00 -1.06 0.00 0.00 60.65 59.51 1ri9 h LYS 11 Cb 0.07 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1ri9 h LYS 11 CO -0.04 0.72 -0.88 0.22 -2.06 0.00 0.00 179.45 177.40 1ri9 h ASP 12 N 0.20 0.15 0.25 0.86 3.58 -0.98 -3.01 116.42 117.47 1ri9 h ASP 12 Ca 0.01 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1ri9 h ASP 12 Cb 0.99 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1ri9 h ASP 12 CO 0.08 0.96 -0.12 0.15 -2.88 0.00 0.00 179.24 177.43 1ri9 h PHE 13 N 0.06 -0.31 -0.15 0.28 3.57 0.16 -2.44 116.94 118.11 1ri9 h PHE 13 Ca -0.03 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ri9 h PHE 13 Cb 1.53 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1ri9 h PHE 13 CO 0.02 -0.12 0.10 0.07 -2.23 0.00 0.00 178.31 176.15 1ri9 h ARG 14 N -0.43 0.11 0.30 1.11 0.11 -1.52 2.76 114.38 116.82 1ri9 h ARG 14 Ca -0.03 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ri9 h ARG 14 Cb 0.32 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.35 1ri9 h ARG 14 CO 0.06 0.07 -0.44 -0.22 0.10 0.00 0.00 179.97 179.54 1ri9 h LYS 15 N 0.11 -0.76 0.08 0.08 3.11 -1.30 0.92 116.57 118.80 1ri9 h LYS 15 Ca 0.06 0.05 -0.29 0.00 -2.81 0.00 0.00 60.65 57.67 1ri9 h LYS 15 Cb 0.12 0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.50 1ri9 h LYS 15 CO -0.01 -0.51 -1.46 -0.22 -2.81 0.00 0.00 179.45 174.44 1ri9 h LYS 16 N -0.79 0.16 -0.96 1.90 1.63 -1.26 -3.27 116.57 113.97 1ri9 h LYS 16 Ca -0.02 -0.27 -0.15 0.00 -0.85 0.00 0.00 60.65 59.36 1ri9 h LYS 16 Cb 0.75 0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.39 1ri9 h LYS 16 CO -0.15 0.99 0.19 1.19 -3.45 0.00 0.00 179.45 178.22 1ri9 n PHE 17 N -3.37 1.11 0.00 1.91 3.01 0.92 -4.60 117.46 116.44 1ri9 n PHE 17 Ca -0.13 -0.83 0.00 0.00 1.01 0.00 0.00 57.45 57.49 1ri9 n PHE 17 Cb 1.02 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1ri9 n PHE 17 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ri9 n LYS 18 N -0.04 0.00 -1.88 -1.08 4.76 0.32 -4.42 118.16 115.82 1ri9 n LYS 18 Ca 0.20 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.22 1ri9 n LYS 18 Cb 0.87 -0.86 -0.03 0.00 -1.84 0.00 0.00 35.03 33.17 1ri9 n LYS 18 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1ri9 s TYR 19 N -0.17 1.86 -0.60 2.13 5.04 -1.26 -4.95 117.35 119.40 1ri9 s TYR 19 Ca 0.00 0.01 -0.15 0.00 -2.44 0.00 0.00 57.07 54.49 1ri9 s TYR 19 Cb 0.00 -4.04 0.15 0.00 0.35 0.00 0.00 41.96 38.42 1ri9 s TYR 19 CO 0.00 -4.42 0.55 0.34 -1.34 0.00 0.00 175.55 170.68 1ri9 s ASP 20 N 3.46 6.29 0.01 4.32 -1.08 -1.26 -5.00 116.67 123.41 1ri9 s ASP 20 Ca 0.78 -1.99 -0.00 0.00 -0.52 0.00 0.00 52.55 50.83 1ri9 s ASP 20 Cb -0.38 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1ri9 s ASP 20 CO 0.34 -0.79 0.02 0.61 0.52 0.00 0.00 175.17 175.86 1ri9 n GLY 21 N 4.96 3.19 3.33 2.66 0.00 -1.26 -5.10 105.19 112.96 1ri9 n GLY 21 Ca -0.08 -1.41 -0.47 0.00 0.00 0.00 0.00 46.02 44.06 1ri9 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ri9 s GLU 22 N -2.03 3.46 -0.39 1.61 2.12 -1.26 -5.01 118.70 117.20 1ri9 s GLU 22 Ca 0.01 -2.27 -0.28 0.00 0.36 0.00 0.00 54.97 52.79 1ri9 s GLU 22 Cb -0.00 -4.41 -0.02 0.00 0.26 0.00 0.00 34.13 29.97 1ri9 s GLU 22 CO 0.01 -1.31 1.78 0.42 -0.54 0.00 0.00 175.26 175.62 1ri9 s ILE 23 N 0.55 3.49 -0.23 -3.70 1.01 -1.26 -4.92 121.20 116.13 1ri9 s ILE 23 Ca 0.15 0.47 -0.09 0.00 0.00 0.00 0.00 60.65 61.18 1ri9 s ILE 23 Cb -0.15 -3.74 0.10 0.00 0.01 0.00 0.00 42.46 38.68 1ri9 s ILE 23 CO -0.06 -0.53 0.51 -0.60 0.00 0.00 0.00 174.94 174.26 1ri9 s ARG 24 N 5.87 0.44 -0.56 2.79 3.00 -1.26 -5.10 118.95 124.13 1ri9 s ARG 24 Ca 0.76 1.17 -0.27 0.00 -1.00 0.00 0.00 55.73 56.39 1ri9 s ARG 24 Cb -0.20 0.47 -0.03 0.00 0.00 0.00 0.00 34.95 35.19 1ri9 s ARG 24 CO 0.31 -0.22 1.99 0.54 0.00 0.00 0.00 175.30 177.92 1ri9 s VAL 25 N 2.54 3.28 -0.21 7.11 0.11 -1.26 -4.67 120.40 127.29 1ri9 s VAL 25 Ca -0.04 0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.97 1ri9 s VAL 25 Cb -0.11 -3.69 -0.19 0.00 -1.53 0.00 0.00 36.38 30.86 1ri9 s VAL 25 CO -0.15 -0.65 0.19 0.18 -3.33 0.00 0.00 175.10 171.33 1ri9 n LEU 26 N 13.35 1.87 -3.76 2.54 4.32 -1.21 -4.75 117.00 129.36 1ri9 n LEU 26 Ca 0.25 0.42 -0.29 0.00 -0.02 0.00 0.00 56.01 56.36 1ri9 n LEU 26 Cb 0.52 -0.96 -0.13 0.00 -1.62 0.00 0.00 43.42 41.23 1ri9 n LEU 26 CO 0.71 0.29 -0.22 -0.72 -1.22 0.00 0.00 177.39 176.24 1ri9 s TYR 27 N -2.37 2.33 -0.37 -1.77 1.13 -1.25 -5.07 117.35 109.97 1ri9 s TYR 27 Ca -0.29 -2.66 -0.29 0.00 -1.41 0.00 0.00 57.07 52.42 1ri9 s TYR 27 Cb 0.06 -2.10 0.00 0.00 -1.10 0.00 0.00 41.96 38.83 1ri9 s TYR 27 CO 0.59 -0.75 1.47 -1.54 -2.51 0.00 0.00 175.55 172.81 1ri9 s SER 28 N 0.02 6.31 0.49 -0.18 1.04 -1.26 -4.04 113.70 116.09 1ri9 s SER 28 Ca 0.19 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 1ri9 s SER 28 Cb -0.21 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 1ri9 s SER 28 CO -0.03 -1.42 0.78 0.28 0.98 0.00 0.00 173.24 173.83 1ri9 s THR 29 N 5.51 4.56 -0.13 2.02 -1.32 -1.24 -4.78 115.64 120.26 1ri9 s THR 29 Ca 0.64 0.04 -0.07 0.00 -1.21 0.00 0.00 61.69 61.09 1ri9 s THR 29 Cb -0.16 -3.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.05 1ri9 s THR 29 CO 0.32 -0.69 0.11 -0.75 -2.21 0.00 0.00 174.62 171.39 1ri9 s LYS 30 N -4.75 3.55 0.16 7.08 2.20 -1.26 -3.50 119.74 123.22 1ri9 s LYS 30 Ca 0.48 -0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.59 1ri9 s LYS 30 Cb -0.10 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 32.97 1ri9 s LYS 30 CO 0.44 0.64 1.20 0.08 -0.36 0.00 0.00 175.35 177.34 1ri9 s VAL 31 N -0.65 3.67 0.06 4.02 1.01 0.53 -4.00 120.40 125.05 1ri9 s VAL 31 Ca 0.12 1.36 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 1ri9 s VAL 31 Cb -0.12 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 1ri9 s VAL 31 CO 0.02 0.20 0.77 -0.89 0.00 0.00 0.00 175.10 175.20 1ri9 s THR 32 N 0.17 4.68 -0.21 3.92 2.01 -1.26 -2.75 115.64 122.20 1ri9 s THR 32 Ca 0.54 1.65 0.03 0.00 0.31 0.00 0.00 61.69 64.22 1ri9 s THR 32 Cb -0.32 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.09 1ri9 s THR 32 CO 0.35 0.38 0.81 1.07 -0.69 0.00 0.00 174.62 176.54 1ri9 n THR 33 N 2.65 0.63 -0.67 -0.82 5.66 -1.26 0.40 114.28 120.86 1ri9 n THR 33 Ca -0.03 0.58 0.09 0.00 -3.05 0.00 0.00 64.05 61.63 1ri9 n THR 33 Cb 0.50 -1.58 0.32 0.00 -1.55 0.00 0.00 70.33 68.03 1ri9 n THR 33 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ri9 n SER 34 N -1.42 4.54 -4.07 1.09 3.41 -1.26 -4.52 113.62 111.38 1ri9 n SER 34 Ca -0.00 -2.56 -0.30 0.00 -0.26 0.00 0.00 58.87 55.75 1ri9 n SER 34 Cb 0.37 -0.55 0.22 0.00 -0.26 0.00 0.00 64.21 63.99 1ri9 n SER 34 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1ri9 s ILE 35 N -2.04 1.72 -0.11 -1.33 -1.16 1.29 -4.87 121.20 114.70 1ri9 s ILE 35 Ca 0.47 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.31 1ri9 s ILE 35 Cb 0.32 -2.49 -0.04 0.00 0.61 0.00 0.00 42.46 40.85 1ri9 s ILE 35 CO 0.20 0.00 1.56 0.28 -2.81 0.00 0.00 174.94 174.17 1ri9 s THR 36 N -3.00 3.76 -0.01 4.00 -1.32 -1.26 -4.58 115.64 113.21 1ri9 s THR 36 Ca 0.69 0.90 0.02 0.00 -1.21 0.00 0.00 61.69 62.10 1ri9 s THR 36 Cb -0.12 -3.62 -0.03 0.00 -1.51 0.00 0.00 72.50 67.22 1ri9 s THR 36 CO 0.56 -0.12 0.02 -1.54 -2.21 0.00 0.00 174.62 171.33 1ri9 n SER 37 N 7.29 4.48 -0.11 8.08 3.41 -1.26 -4.38 113.62 131.12 1ri9 n SER 37 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.56 1ri9 n SER 37 Cb 0.44 0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 65.04 1ri9 n SER 37 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ri9 n LYS 38 N -1.91 0.48 -2.07 4.33 2.85 -1.26 -4.93 118.16 115.66 1ri9 n LYS 38 Ca -0.02 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 1ri9 n LYS 38 Cb 0.39 -1.32 -0.03 0.00 -0.65 0.00 0.00 35.03 33.42 1ri9 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ri9 s LYS 39 N -2.41 4.23 -0.08 -1.58 2.36 -1.26 -4.98 119.74 116.01 1ri9 s LYS 39 Ca -0.31 2.15 -0.03 0.00 -2.55 0.00 0.00 55.97 55.23 1ri9 s LYS 39 Cb 0.11 -3.67 0.04 0.00 -1.05 0.00 0.00 37.83 33.26 1ri9 s LYS 39 CO 0.41 -0.70 0.17 -1.58 1.55 0.00 0.00 175.35 175.21 1ri9 s TRP 40 N 2.87 -0.21 0.26 4.03 0.23 -1.26 -4.86 118.94 120.00 1ri9 s TRP 40 Ca 0.70 0.56 0.11 0.00 -2.03 0.00 0.00 56.10 55.44 1ri9 s TRP 40 Cb -0.35 -0.06 -0.05 0.00 0.03 0.00 0.00 33.47 33.04 1ri9 s TRP 40 CO 0.29 -0.19 -0.14 0.20 0.96 0.00 0.00 176.95 178.07 1ri9 s GLY 41 N 1.27 1.79 0.38 0.98 0.00 -1.26 -4.98 107.32 105.51 1ri9 s GLY 41 Ca -0.08 -1.76 0.10 0.00 0.00 0.00 0.00 44.72 42.97 1ri9 s GLY 41 CO -0.07 -1.83 1.94 -0.84 0.00 0.00 0.00 173.10 172.30 1ri9 h THR 42 N 2.30 0.92 -0.33 0.90 2.02 -2.00 0.39 112.91 117.11 1ri9 h THR 42 Ca -0.42 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1ri9 h THR 42 Cb 1.25 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1ri9 h THR 42 CO 0.58 0.11 0.00 0.54 0.37 0.00 0.00 175.52 177.13 1ri9 n ARG 43 N -4.49 2.21 -3.92 6.66 1.74 -1.26 -4.91 116.66 112.68 1ri9 n ARG 43 Ca 0.12 -1.83 -0.21 0.00 -0.77 0.00 0.00 57.85 55.16 1ri9 n ARG 43 Cb 0.35 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1ri9 n ARG 43 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ri9 s ASP 44 N -1.46 5.74 0.15 0.55 -1.08 0.14 0.00 116.67 120.70 1ri9 s ASP 44 Ca 0.36 -0.21 -0.01 0.00 -0.52 0.00 0.00 52.55 52.17 1ri9 s ASP 44 Cb 0.20 -1.40 -0.04 0.00 -1.46 0.00 0.00 42.92 40.22 1ri9 s ASP 44 CO 0.29 -0.17 0.33 -0.22 0.52 0.00 0.00 175.17 175.92 1ri9 s LEU 45 N -3.96 4.28 -0.18 -1.34 2.96 -1.17 -4.56 118.68 114.70 1ri9 s LEU 45 Ca 0.37 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1ri9 s LEU 45 Cb -0.08 -3.12 0.24 0.00 0.50 0.00 0.00 46.19 43.73 1ri9 s LEU 45 CO 0.27 0.04 1.45 1.67 -1.32 0.00 0.00 176.35 178.47 1ri9 n GLN 46 N -0.23 1.50 -0.93 1.98 7.27 -1.26 -4.83 117.38 120.89 1ri9 n GLN 46 Ca -0.04 -1.16 -0.31 0.00 0.07 0.00 0.00 57.00 55.55 1ri9 n GLN 46 Cb 0.53 -1.45 0.14 0.00 2.41 0.00 0.00 30.24 31.86 1ri9 n GLN 46 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1ri9 s VAL 47 N -1.34 2.53 0.18 1.69 -7.23 -1.26 -5.04 120.40 109.93 1ri9 s VAL 47 Ca 0.22 0.17 0.07 0.00 -1.81 0.00 0.00 61.98 60.64 1ri9 s VAL 47 Cb 0.18 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1ri9 s VAL 47 CO 0.03 -0.22 0.03 -0.54 -0.31 0.00 0.00 175.10 174.09 1ri9 s LYS 48 N -4.72 2.49 0.03 4.82 3.01 -1.26 -4.68 119.74 119.44 1ri9 s LYS 48 Ca 0.65 -1.10 -0.30 0.00 -1.01 0.00 0.00 55.97 54.21 1ri9 s LYS 48 Cb -0.21 -2.39 -0.05 0.00 -1.01 0.00 0.00 37.83 34.17 1ri9 s LYS 48 CO 0.57 0.45 1.18 -1.25 0.51 0.00 0.00 175.35 176.80 1ri9 s PRO 49 N -3.07 4.43 0.00 -1.68 0.04 -1.26 -2.95 135.00 130.51 1ri9 s PRO 49 Ca 0.29 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ri9 s PRO 49 Cb -0.09 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1ri9 s PRO 49 CO 0.20 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1ri9 n GLY 50 N 3.22 0.95 3.95 0.56 0.00 -1.11 -4.46 105.19 108.30 1ri9 n GLY 50 Ca 0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1ri9 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ri9 s GLU 51 N -0.83 2.56 -0.08 1.61 8.01 -1.15 -4.85 118.70 123.97 1ri9 s GLU 51 Ca 0.00 -1.51 0.03 0.00 0.01 0.00 0.00 54.97 53.50 1ri9 s GLU 51 Cb 0.00 -2.53 0.01 0.00 -4.31 0.00 0.00 34.13 27.30 1ri9 s GLU 51 CO 0.00 -0.39 -0.17 -1.54 0.01 0.00 0.00 175.26 173.17 1ri9 s SER 52 N -4.32 2.37 0.12 -0.19 1.04 -1.26 0.20 113.70 111.66 1ri9 s SER 52 Ca 0.52 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 1ri9 s SER 52 Cb -0.06 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 1ri9 s SER 52 CO 0.31 0.08 0.04 -0.22 0.98 0.00 0.00 173.24 174.43 1ri9 s LEU 53 N 0.56 1.91 0.06 2.42 2.96 -1.23 -4.94 118.68 120.42 1ri9 s LEU 53 Ca -0.16 -1.18 -0.30 0.00 -0.22 0.00 0.00 54.13 52.28 1ri9 s LEU 53 Cb -0.17 0.24 -0.05 0.00 0.50 0.00 0.00 46.19 46.72 1ri9 s LEU 53 CO 0.05 -0.69 1.03 -1.61 -1.32 0.00 0.00 176.35 173.81 1ri9 s GLU 54 N -4.01 4.58 -0.19 1.98 8.01 -1.21 -3.67 118.70 124.18 1ri9 s GLU 54 Ca 0.22 1.53 -0.08 0.00 0.01 0.00 0.00 54.97 56.64 1ri9 s GLU 54 Cb 0.07 -3.39 -0.04 0.00 -4.31 0.00 0.00 34.13 26.46 1ri9 s GLU 54 CO 0.00 0.00 0.09 0.08 0.01 0.00 0.00 175.26 175.44 1ri9 s VAL 55 N 0.58 4.95 0.00 2.63 1.01 -1.26 -0.26 120.40 128.06 1ri9 s VAL 55 Ca 0.51 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1ri9 s VAL 55 Cb -0.24 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1ri9 s VAL 55 CO 0.30 0.44 0.00 -0.38 0.00 0.00 0.00 175.10 175.46 1ri9 n ILE 56 N 3.65 0.00 -3.44 2.22 5.41 0.33 -3.32 119.36 124.22 1ri9 n ILE 56 Ca -0.16 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.33 1ri9 n ILE 56 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.43 1ri9 n ILE 56 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ri9 s GLN 57 N 2.98 3.53 0.01 0.38 -1.52 -1.26 -4.70 119.66 119.08 1ri9 s GLN 57 Ca 0.00 -0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 52.87 1ri9 s GLN 57 Cb 0.00 -2.70 -0.06 0.00 -0.22 0.00 0.00 33.01 30.03 1ri9 s GLN 57 CO 0.00 0.23 1.55 0.95 -0.25 0.00 0.00 175.29 177.77 1ri9 s THR 58 N -2.15 3.44 0.00 -0.19 -4.23 -1.25 -3.17 115.64 108.09 1ri9 s THR 58 Ca 0.41 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 1ri9 s THR 58 Cb -0.10 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1ri9 s THR 58 CO 0.33 -0.02 0.78 0.41 -0.54 0.00 0.00 174.62 175.57 1ri9 n THR 59 N 4.90 0.00 0.00 3.99 -1.04 0.23 -4.81 114.28 117.56 1ri9 n THR 59 Ca 0.15 1.28 0.00 0.00 -2.04 0.00 0.00 64.05 63.44 1ri9 n THR 59 Cb 0.42 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 1ri9 n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ri9 n ASP 60 N -1.52 0.00 0.02 8.00 2.03 -1.26 -5.02 116.55 118.80 1ri9 n ASP 60 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1ri9 n ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1ri9 n ASP 60 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ri9 n ASP 61 N 0.00 1.00 -3.45 1.67 8.00 -1.26 -4.88 116.55 117.63 1ri9 n ASP 61 Ca 0.00 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.35 1ri9 n ASP 61 Cb 0.00 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 1ri9 n ASP 61 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ri9 n THR 62 N -3.52 2.81 -3.66 -3.53 -1.04 -1.26 -5.00 114.28 99.09 1ri9 n THR 62 Ca -0.03 -5.35 -0.08 0.00 -2.04 0.00 0.00 64.05 56.55 1ri9 n THR 62 Cb 0.19 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 66.58 1ri9 n THR 62 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ri9 s LYS 63 N -2.62 0.61 -0.11 -2.82 2.20 -1.26 -2.49 119.74 113.25 1ri9 s LYS 63 Ca 0.40 1.10 0.03 0.00 -0.36 0.00 0.00 55.97 57.14 1ri9 s LYS 63 Cb 0.15 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 1ri9 s LYS 63 CO -0.01 -0.15 -0.23 0.14 -0.36 0.00 0.00 175.35 174.74 1ri9 s VAL 64 N 1.60 2.00 -0.17 4.02 -7.23 -1.11 0.77 120.40 120.27 1ri9 s VAL 64 Ca -0.10 -0.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.88 1ri9 s VAL 64 Cb -0.06 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 1ri9 s VAL 64 CO -0.18 0.54 0.69 -0.22 -0.31 0.00 0.00 175.10 175.63 1ri9 s LEU 65 N 0.53 4.18 0.41 1.32 2.96 -1.19 -2.68 118.68 124.21 1ri9 s LEU 65 Ca -0.15 0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 54.70 1ri9 s LEU 65 Cb -0.17 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 1ri9 s LEU 65 CO 0.05 -0.28 0.69 0.00 -1.32 0.00 0.00 176.35 175.49 1ri9 s ARG 67 N -4.34 0.61 -0.05 0.00 3.52 0.64 -1.99 118.95 117.33 1ri9 s ARG 67 Ca 0.46 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 1ri9 s ARG 67 Cb -0.10 -0.49 -0.03 0.00 -1.56 0.00 0.00 34.95 32.78 1ri9 s ARG 67 CO 0.39 0.11 -0.12 -0.80 -0.81 0.00 0.00 175.30 174.06 1ri9 s ASN 68 N -1.18 4.19 0.58 -2.12 -0.87 0.16 -3.33 114.94 112.37 1ri9 s ASN 68 Ca -0.04 -0.15 0.27 0.00 -1.57 0.00 0.00 52.86 51.37 1ri9 s ASN 68 Cb -0.08 -0.94 1.48 0.00 -0.02 0.00 0.00 41.25 41.69 1ri9 s ASN 68 CO 0.01 0.35 1.81 -0.08 -2.57 0.00 0.00 177.10 176.62 1ri9 h GLU 69 N 5.33 0.00 0.00 -0.60 4.81 -2.01 1.31 114.58 123.42 1ri9 h GLU 69 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ri9 h GLU 69 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1ri9 h GLU 69 CO 0.51 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.88 1ri9 n GLU 70 N -2.69 0.53 -0.57 1.92 4.07 -1.26 -4.85 120.64 117.78 1ri9 n GLU 70 Ca -0.02 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1ri9 n GLU 70 Cb 0.33 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 1ri9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ri9 n GLY 71 N 1.16 0.66 3.66 8.31 0.00 0.45 -4.64 105.19 114.79 1ri9 n GLY 71 Ca 0.16 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1ri9 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ri9 s LYS 72 N -0.99 4.12 0.13 1.61 2.20 -1.14 -4.13 119.74 121.55 1ri9 s LYS 72 Ca 0.00 0.03 0.07 0.00 -0.36 0.00 0.00 55.97 55.71 1ri9 s LYS 72 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1ri9 s LYS 72 CO 0.00 -0.03 -0.06 0.71 -0.36 0.00 0.00 175.35 175.61 1ri9 s TYR 73 N 1.30 2.79 0.18 4.03 1.51 -1.26 0.37 117.35 126.26 1ri9 s TYR 73 Ca 0.15 -0.14 -0.22 0.00 -1.01 0.00 0.00 57.07 55.85 1ri9 s TYR 73 Cb -0.14 -1.42 0.06 0.00 -0.11 0.00 0.00 41.96 40.34 1ri9 s TYR 73 CO 0.07 0.47 0.60 0.20 -1.11 0.00 0.00 175.55 175.78 1ri9 s GLY 74 N -2.48 -0.49 0.14 0.71 0.00 -0.84 -4.91 107.32 99.45 1ri9 s GLY 74 Ca 0.24 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.28 1ri9 s GLY 74 CO 0.16 0.07 0.24 -0.19 0.00 0.00 0.00 173.10 173.38 1ri9 s TYR 75 N -3.79 3.42 -0.07 1.90 2.02 0.10 -0.65 117.35 120.28 1ri9 s TYR 75 Ca 0.03 0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.81 1ri9 s TYR 75 Cb -0.02 -1.65 0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1ri9 s TYR 75 CO -0.09 0.53 0.14 0.08 -1.57 0.00 0.00 175.55 174.63 1ri9 s VAL 76 N -1.70 -0.12 0.33 0.71 1.01 -1.09 -3.06 120.40 116.48 1ri9 s VAL 76 Ca 0.34 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1ri9 s VAL 76 Cb -0.11 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 1ri9 s VAL 76 CO 0.27 0.10 1.13 -0.22 0.00 0.00 0.00 175.10 176.38 1ri9 s LEU 77 N 1.57 4.38 0.63 3.92 0.20 -1.26 -2.73 118.68 125.39 1ri9 s LEU 77 Ca -0.05 2.29 0.37 0.00 0.69 0.00 0.00 54.13 57.43 1ri9 s LEU 77 Cb -0.12 -3.82 2.00 0.00 -0.43 0.00 0.00 46.19 43.82 1ri9 s LEU 77 CO -0.06 -0.37 2.12 0.08 -0.29 0.00 0.00 176.35 177.84 1ri9 h ARG 78 N 3.26 0.00 -0.35 1.98 0.11 -1.88 -2.59 114.38 114.91 1ri9 h ARG 78 Ca -0.48 0.00 0.06 0.00 0.10 0.00 0.00 59.98 59.66 1ri9 h ARG 78 Cb 1.22 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.22 1ri9 h ARG 78 CO 0.65 0.00 -0.49 1.03 0.10 0.00 0.00 179.97 181.26 1ri9 h SER 79 N 0.00 -1.60 -3.64 0.08 0.87 -1.90 -3.23 113.55 104.13 1ri9 h SER 79 Ca 0.00 0.22 -0.66 0.00 -1.23 0.00 0.00 61.79 60.12 1ri9 h SER 79 Cb 0.26 0.67 -0.39 0.00 -0.44 0.00 0.00 62.40 62.50 1ri9 h SER 79 CO 0.00 -0.40 -0.44 -0.72 -0.53 0.00 0.00 176.83 174.74 1ri9 s TYR 80 N -5.77 3.53 0.29 2.24 -0.85 -0.98 -5.03 117.35 110.78 1ri9 s TYR 80 Ca -0.15 -3.13 -0.19 0.00 -0.52 0.00 0.00 57.07 53.08 1ri9 s TYR 80 Cb 0.10 -2.94 0.06 0.00 0.38 0.00 0.00 41.96 39.55 1ri9 s TYR 80 CO 0.63 -0.68 0.87 -1.17 -1.52 0.00 0.00 175.55 173.68 1ri9 s LEU 81 N -0.94 -0.05 0.69 -3.49 0.20 -1.22 -4.38 118.68 109.49 1ri9 s LEU 81 Ca 0.22 -0.86 -0.03 0.00 0.69 0.00 0.00 54.13 54.15 1ri9 s LEU 81 Cb -0.13 2.55 0.09 0.00 -0.43 0.00 0.00 46.19 48.28 1ri9 s LEU 81 CO -0.10 -1.37 0.97 0.00 -0.29 0.00 0.00 176.35 175.56 1ri9 s ALA 82 N -2.61 3.52 -1.56 5.97 0.00 -1.26 -4.81 121.76 121.01 1ri9 s ALA 82 Ca 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1ri9 s ALA 82 Cb -0.04 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ri9 s ALA 82 CO 0.08 -1.31 0.39 -0.25 0.00 0.00 0.00 175.76 174.67