#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h33 n ASP 2 N 0.00 2.94 -4.52 4.38 8.00 -1.26 -4.78 116.55 121.31 3h33 n ASP 2 Ca 0.00 -0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.14 3h33 n ASP 2 Cb 0.00 0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 41.25 3h33 n ASP 2 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3h33 s LYS 3 N -2.22 2.49 -0.17 -1.24 1.02 -1.26 0.27 119.74 118.61 3h33 s LYS 3 Ca -0.10 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.17 3h33 s LYS 3 Cb 0.03 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 34.96 3h33 s LYS 3 CO 0.32 0.61 -0.12 0.42 -0.92 0.00 0.00 175.35 175.66 3h33 s ILE 4 N -0.84 1.58 -0.17 2.17 1.01 0.08 -4.92 121.20 120.11 3h33 s ILE 4 Ca 0.14 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 3h33 s ILE 4 Cb -0.11 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3h33 s ILE 4 CO 0.03 0.29 0.23 -0.89 0.00 0.00 0.00 174.94 174.61 3h33 s THR 5 N 1.45 5.34 -0.37 2.92 2.01 -1.26 0.42 115.64 126.15 3h33 s THR 5 Ca 0.02 0.42 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 3h33 s THR 5 Cb -0.15 -3.57 0.07 0.00 0.01 0.00 0.00 72.50 68.87 3h33 s THR 5 CO -0.09 0.42 0.16 -0.31 -0.69 0.00 0.00 174.62 174.11 3h33 s TYR 6 N 0.32 3.37 -0.15 4.92 1.51 0.24 -4.97 117.35 122.59 3h33 s TYR 6 Ca 0.14 -1.78 -0.29 0.00 -1.01 0.00 0.00 57.07 54.12 3h33 s TYR 6 Cb -0.12 -2.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.01 3h33 s TYR 6 CO 0.02 -0.84 1.16 -1.25 -1.11 0.00 0.00 175.55 173.53 3h33 s PRO 7 N 1.32 4.29 0.06 -1.71 0.04 -1.26 -0.74 135.00 137.00 3h33 s PRO 7 Ca 0.02 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.64 3h33 s PRO 7 Cb -0.21 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 3h33 s PRO 7 CO 0.00 -0.58 -0.12 0.95 0.04 0.00 0.00 177.00 177.30 3h33 s THR 8 N 2.93 0.90 0.17 1.26 -4.23 -1.26 -4.95 115.64 110.45 3h33 s THR 8 Ca 0.51 -1.25 -0.19 0.00 -1.18 0.00 0.00 61.69 59.59 3h33 s THR 8 Cb -0.20 -0.92 0.09 0.00 1.34 0.00 0.00 72.50 72.81 3h33 s THR 8 CO 0.14 -0.30 1.64 0.03 -0.54 0.00 0.00 174.62 175.59 3h33 h ARG 9 N 4.32 -0.10 0.00 3.99 2.47 -1.95 -0.74 114.38 122.37 3h33 h ARG 9 Ca -0.39 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 3h33 h ARG 9 Cb 1.20 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 3h33 h ARG 9 CO 0.41 -0.07 0.00 1.51 0.56 0.00 0.00 179.97 182.38 3h33 n ILE 10 N -5.36 0.75 0.00 2.04 3.06 -1.26 -4.86 119.36 113.73 3h33 n ILE 10 Ca 0.02 0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.46 3h33 n ILE 10 Cb 0.27 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.43 3h33 n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3h33 n GLY 11 N -0.40 4.12 3.77 4.50 0.00 -0.28 -4.56 105.19 112.33 3h33 n GLY 11 Ca 0.05 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 3h33 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h33 s ALA 12 N -0.02 3.22 -0.16 4.61 0.00 -0.84 -4.17 121.76 124.40 3h33 s ALA 12 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 3h33 s ALA 12 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3h33 s ALA 12 CO 0.00 -0.83 -0.06 0.08 0.00 0.00 0.00 175.76 174.94 3h33 s VAL 13 N -1.28 3.54 -0.30 0.00 1.01 0.08 -2.11 120.40 121.34 3h33 s VAL 13 Ca 0.58 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 3h33 s VAL 13 Cb -0.37 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3h33 s VAL 13 CO 0.48 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 175.49 3h33 s VAL 14 N 0.59 4.37 -0.46 2.92 1.01 -1.26 0.79 120.40 128.36 3h33 s VAL 14 Ca -0.04 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 3h33 s VAL 14 Cb -0.15 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.07 3h33 s VAL 14 CO 0.03 0.11 0.48 0.12 0.00 0.00 0.00 175.10 175.84 3h33 s PHE 15 N 1.58 3.15 -1.16 5.22 5.36 0.17 -4.93 117.98 127.38 3h33 s PHE 15 Ca 0.04 -0.59 -0.21 0.00 -0.96 0.00 0.00 56.93 55.21 3h33 s PHE 15 Cb -0.17 -3.18 0.03 0.00 -0.34 0.00 0.00 43.02 39.36 3h33 s PHE 15 CO 0.05 -0.84 1.70 -1.25 -1.46 0.00 0.00 175.22 173.42 3h33 s PRO 16 N 2.15 3.51 0.18 10.12 0.04 -1.26 -0.74 135.00 149.00 3h33 s PRO 16 Ca 0.11 -1.44 -0.13 0.00 0.04 0.00 0.00 61.00 59.58 3h33 s PRO 16 Cb -0.20 -5.39 0.15 0.00 0.04 0.00 0.00 34.50 29.09 3h33 s PRO 16 CO 0.11 -2.60 1.78 1.25 0.04 0.00 0.00 177.00 177.58 3h33 h HIS 17 N 8.94 0.45 -0.73 0.56 2.76 -0.54 -2.61 115.15 123.98 3h33 h HIS 17 Ca 0.30 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.45 3h33 h HIS 17 Cb 0.94 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.74 3h33 h HIS 17 CO 1.33 0.21 0.26 -0.22 -1.30 0.00 0.00 177.93 178.21 3h33 h LYS 18 N 0.48 1.10 -0.56 5.26 1.63 -1.75 -1.50 116.57 121.23 3h33 h LYS 18 Ca 0.23 -0.21 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3h33 h LYS 18 Cb 0.16 -0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 31.56 3h33 h LYS 18 CO -0.17 0.91 0.23 0.87 -3.45 0.00 0.00 179.45 177.84 3h33 h LYS 19 N 1.06 0.42 -0.61 1.90 1.57 -1.77 -0.96 116.57 118.18 3h33 h LYS 19 Ca 0.24 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3h33 h LYS 19 Cb 0.25 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3h33 h LYS 19 CO -0.01 0.28 0.19 0.45 -0.57 0.00 0.00 179.45 179.78 3h33 h HIS 20 N 0.43 0.99 -0.07 -1.35 3.86 -1.05 0.12 115.15 118.08 3h33 h HIS 20 Ca 0.27 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 3h33 h HIS 20 Cb 0.28 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3h33 h HIS 20 CO -0.15 0.82 -0.45 -0.56 0.86 0.00 0.00 177.93 178.45 3h33 h GLN 21 N 0.88 0.16 -0.06 2.45 3.07 -0.82 -0.57 115.11 120.22 3h33 h GLN 21 Ca 0.20 -0.08 -0.21 0.00 0.09 0.00 0.00 58.65 58.65 3h33 h GLN 21 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 3h33 h GLN 21 CO -0.01 0.58 -0.83 -0.44 0.09 0.00 0.00 178.83 178.22 3h33 h ASP 22 N 0.13 0.61 -0.27 0.06 3.32 -0.94 0.10 116.42 119.44 3h33 h ASP 22 Ca 0.01 -0.44 -0.15 0.00 0.02 0.00 0.00 57.03 56.47 3h33 h ASP 22 Cb 0.86 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3h33 h ASP 22 CO 0.07 1.21 -0.44 0.00 -1.72 0.00 0.00 179.24 178.36 3h33 h ALA 23 N 0.77 0.41 0.00 3.45 0.00 -0.51 -3.29 119.26 120.09 3h33 h ALA 23 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3h33 h ALA 23 Cb 1.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3h33 h ALA 23 CO 0.15 0.55 -1.17 1.28 0.00 0.00 0.00 179.25 180.05 3h33 n LEU 24 N -4.14 0.62 -3.81 0.00 4.77 -0.24 -4.98 117.00 109.22 3h33 n LEU 24 Ca -0.05 0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 3h33 n LEU 24 Cb 0.56 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3h33 n LEU 24 CO 0.48 -0.09 0.05 0.61 -1.33 0.00 0.00 177.39 177.10 3h33 n GLY 25 N 1.25 -0.49 3.53 -0.72 0.00 0.35 -4.94 105.19 104.17 3h33 n GLY 25 Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3h33 n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h33 s GLU 26 N -6.51 0.83 -0.15 1.61 2.12 -1.25 -5.08 118.70 110.27 3h33 s GLU 26 Ca 0.61 -0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.88 3h33 s GLU 26 Cb -0.31 0.39 -0.07 0.00 0.26 0.00 0.00 34.13 34.39 3h33 s GLU 26 CO 0.75 -0.30 -0.17 0.00 -0.54 0.00 0.00 175.26 175.00 3h33 h ARG 28 N -0.35 0.00 0.19 0.00 -0.00 -1.96 0.08 114.38 112.34 3h33 h ARG 28 Ca -0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.62 3h33 h ARG 28 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.34 3h33 h ARG 28 CO -0.17 0.00 -0.13 0.78 -0.00 0.00 0.00 179.97 180.45 3h33 h GLY 29 N 0.00 -0.32 1.38 0.08 0.00 -1.97 -3.06 103.07 99.19 3h33 h GLY 29 Ca 0.17 0.15 -0.26 0.00 0.00 0.00 0.00 47.33 47.39 3h33 h GLY 29 CO -0.00 -0.14 -1.43 0.00 0.00 0.00 0.00 176.54 174.98 3h33 n HIS 31 N -3.16 3.76 -0.23 0.00 -0.00 -0.03 -4.89 115.22 110.66 3h33 n HIS 31 Ca -0.10 -3.60 0.02 0.00 -0.00 0.00 0.00 57.72 54.04 3h33 n HIS 31 Cb 1.01 -1.22 0.14 0.00 -0.00 0.00 0.00 29.99 29.92 3h33 n HIS 31 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3h33 h GLU 32 N 5.69 0.47 -1.34 -0.41 5.08 -1.74 -1.83 114.58 120.50 3h33 h GLU 32 Ca 0.18 -0.03 -0.46 0.00 -1.00 0.00 0.00 59.36 58.06 3h33 h GLU 32 Cb 0.74 -0.11 -0.20 0.00 0.50 0.00 0.00 28.75 29.69 3h33 h GLU 32 CO 1.04 0.31 0.59 1.63 -1.00 0.00 0.00 179.01 181.59 3h33 n LYS 33 N -4.95 2.14 -0.45 2.33 4.01 -1.26 -4.98 118.16 115.01 3h33 n LYS 33 Ca 0.11 -2.22 0.00 0.00 -0.51 0.00 0.00 58.31 55.69 3h33 n LYS 33 Cb 0.31 -1.87 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 3h33 n LYS 33 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3h33 n GLY 34 N -0.12 -3.50 3.41 0.72 0.00 -0.69 -4.89 105.19 100.12 3h33 n GLY 34 Ca 0.43 -1.00 -0.57 0.00 0.00 0.00 0.00 46.02 44.87 3h33 n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h33 n PRO 35 N -0.84 0.00 -1.56 1.61 -0.02 -1.26 -4.77 135.00 128.16 3h33 n PRO 35 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3h33 n PRO 35 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3h33 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h33 n GLY 36 N 1.49 0.34 3.75 -1.23 0.00 -1.26 -5.10 105.19 103.17 3h33 n GLY 36 Ca 0.19 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 3h33 n GLY 36 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h33 s ARG 37 N -2.00 3.22 -0.37 1.61 3.52 -1.26 -4.97 118.95 118.70 3h33 s ARG 37 Ca 0.00 2.30 -0.11 0.00 -0.13 0.00 0.00 55.73 57.79 3h33 s ARG 37 Cb 0.00 -2.33 0.02 0.00 -1.56 0.00 0.00 34.95 31.08 3h33 s ARG 37 CO 0.00 -1.15 0.21 0.42 -0.81 0.00 0.00 175.30 173.97 3h33 s ILE 38 N -1.27 4.66 0.24 4.11 1.01 -1.26 -5.01 121.20 123.68 3h33 s ILE 38 Ca 0.70 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 3h33 s ILE 38 Cb -0.42 -3.58 -0.11 0.00 0.01 0.00 0.00 42.46 38.36 3h33 s ILE 38 CO 0.50 -0.22 1.60 -1.81 0.00 0.00 0.00 174.94 175.02 3h33 s ASP 39 N 1.57 6.45 -0.21 3.58 1.01 -1.26 -2.48 116.67 125.32 3h33 s ASP 39 Ca 0.03 2.83 0.00 0.00 0.71 0.00 0.00 52.55 56.12 3h33 s ASP 39 Cb -0.19 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.12 3h33 s ASP 39 CO 0.07 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.17 3h33 n GLY 40 N 2.91 0.55 3.65 0.21 0.00 -1.26 -4.98 105.19 106.27 3h33 n GLY 40 Ca 0.11 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 3h33 n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h33 s PHE 41 N -2.04 2.30 0.00 1.61 5.36 -1.04 -4.79 117.98 119.38 3h33 s PHE 41 Ca 0.00 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 3h33 s PHE 41 Cb 0.00 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 3h33 s PHE 41 CO 0.00 -2.87 0.00 -0.40 -1.46 0.00 0.00 175.22 170.49 3h33 n ASP 42 N 7.39 0.00 0.04 6.13 5.68 -1.26 -5.02 116.55 129.51 3h33 n ASP 42 Ca 0.17 -0.70 -0.11 0.00 -0.50 0.00 0.00 54.79 53.64 3h33 n ASP 42 Cb 0.44 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.38 3h33 n ASP 42 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3h33 h LYS 43 N 0.00 -0.39 -0.73 0.11 3.64 -1.99 0.10 116.57 117.32 3h33 h LYS 43 Ca 0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3h33 h LYS 43 Cb 0.00 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3h33 h LYS 43 CO 0.00 -0.26 0.48 0.28 -2.27 0.00 0.00 179.45 177.67 3h33 h VAL 44 N -0.41 1.09 -0.13 2.00 2.07 -1.97 -0.17 116.25 118.73 3h33 h VAL 44 Ca 0.08 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3h33 h VAL 44 Cb 0.52 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3h33 h VAL 44 CO -0.28 0.16 -0.36 -0.03 0.02 0.00 0.00 177.57 177.07 3h33 h MET 45 N 0.85 0.47 -0.94 1.57 1.85 -1.75 -2.13 114.93 114.86 3h33 h MET 45 Ca 0.29 -0.33 0.02 0.00 -0.61 0.00 0.00 59.70 59.07 3h33 h MET 45 Cb 0.10 0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.14 3h33 h MET 45 CO -0.09 0.95 0.62 0.00 -0.40 0.00 0.00 176.91 178.00 3h33 h ALA 46 N 0.52 1.35 0.00 0.39 0.00 -0.50 0.31 119.26 121.32 3h33 h ALA 46 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h33 h ALA 46 Cb 0.98 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h33 h ALA 46 CO 0.08 0.59 0.00 0.72 0.00 0.00 0.00 179.25 180.64 3h33 n HIS 47 N -4.40 0.00 0.00 0.00 -0.00 -0.12 -0.86 115.22 109.83 3h33 n HIS 47 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 3h33 n HIS 47 Cb 0.04 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 29.54 3h33 n HIS 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3h33 n GLY 48 N 1.42 1.01 0.26 -1.41 0.00 -0.12 -4.04 105.19 102.32 3h33 n GLY 48 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3h33 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h33 h LYS 49 N 0.00 0.00 -0.50 1.61 1.57 -1.83 1.00 116.57 118.42 3h33 h LYS 49 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3h33 h LYS 49 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3h33 h LYS 49 CO 0.00 0.09 0.18 0.78 -0.57 0.00 0.00 179.45 179.93 3h33 h GLY 50 N 1.64 0.78 0.00 3.86 0.00 -0.72 -3.40 103.07 105.24 3h33 h GLY 50 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3h33 h GLY 50 CO 0.01 0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.93 3h33 h LYS 52 N 0.00 0.59 -0.64 0.00 3.64 -1.01 -2.38 116.57 116.77 3h33 h LYS 52 Ca 0.00 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3h33 h LYS 52 Cb 0.00 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 3h33 h LYS 52 CO 0.00 0.39 0.40 0.78 -2.27 0.00 0.00 179.45 178.75 3h33 h GLY 53 N 0.61 0.92 0.93 5.01 0.00 0.92 -1.70 103.07 109.75 3h33 h GLY 53 Ca 0.42 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 3h33 h GLY 53 CO -0.17 0.25 0.02 0.00 0.00 0.00 0.00 176.54 176.64 3h33 h HIS 55 N 0.47 0.94 -0.14 0.00 -0.00 -1.35 0.35 115.15 115.42 3h33 h HIS 55 Ca 0.11 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 3h33 h HIS 55 Cb 0.43 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 3h33 h HIS 55 CO 0.03 0.46 -0.07 0.93 -0.00 0.00 0.00 177.93 179.29 3h33 h GLU 56 N 0.90 0.30 -0.13 2.45 5.08 -1.07 -0.03 114.58 122.08 3h33 h GLU 56 Ca 0.39 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3h33 h GLU 56 Cb 0.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3h33 h GLU 56 CO -0.16 0.62 0.04 0.93 -1.00 0.00 0.00 179.01 179.45 3h33 h GLU 57 N -0.03 0.20 0.00 2.33 5.08 -0.55 -2.78 114.58 118.82 3h33 h GLU 57 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h33 h GLU 57 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3h33 h GLU 57 CO 0.02 0.33 0.00 -1.33 -1.00 0.00 0.00 179.01 177.03 3h33 n MET 58 N -4.87 0.31 -3.11 2.33 2.81 0.12 -4.90 117.12 109.79 3h33 n MET 58 Ca -0.05 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.64 3h33 n MET 58 Cb 0.14 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.17 3h33 n MET 58 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3h33 n LYS 59 N -1.34 -4.23 -3.74 0.03 5.02 -0.07 -4.97 118.16 108.87 3h33 n LYS 59 Ca 0.12 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 57.02 3h33 n LYS 59 Cb 0.25 -5.54 -0.09 0.00 -0.02 0.00 0.00 35.03 29.62 3h33 n LYS 59 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3h33 s ILE 60 N -3.07 0.03 0.00 -0.18 2.07 -0.90 -5.04 121.20 114.11 3h33 s ILE 60 Ca 0.32 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 3h33 s ILE 60 Cb -0.16 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.83 3h33 s ILE 60 CO 0.40 -0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 3h33 n GLY 61 N 1.89 1.82 3.71 1.50 0.00 -1.26 -4.23 105.19 108.63 3h33 n GLY 61 Ca -0.18 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3h33 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h33 s PRO 62 N -2.56 4.34 -0.00 1.61 0.04 -1.26 -4.90 135.00 132.26 3h33 s PRO 62 Ca 0.00 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.04 3h33 s PRO 62 Cb 0.00 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3h33 s PRO 62 CO 0.00 -0.42 0.02 1.33 0.04 0.00 0.00 177.00 177.97 3h33 n VAL 63 N 4.04 0.00 -3.16 -0.36 0.24 -1.26 -4.76 118.33 113.08 3h33 n VAL 63 Ca 0.11 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.34 62.00 3h33 n VAL 63 Cb 0.43 0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 3h33 n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3h33 s ARG 64 N -2.05 4.34 0.15 7.34 0.52 -1.26 -4.99 118.95 123.00 3h33 s ARG 64 Ca -0.00 0.86 -0.26 0.00 -0.52 0.00 0.00 55.73 55.81 3h33 s ARG 64 Cb 0.00 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 3h33 s ARG 64 CO 0.03 0.49 1.35 0.00 0.02 0.00 0.00 175.30 177.20 3h33 n GLY 66 N -1.24 -0.92 0.02 0.00 0.00 -1.26 -0.68 105.19 101.11 3h33 n GLY 66 Ca 0.03 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3h33 n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h33 n ASP 67 N -1.80 0.27 -0.02 1.61 8.00 0.72 -4.18 116.55 121.15 3h33 n ASP 67 Ca 0.01 0.01 -0.06 0.00 0.71 0.00 0.00 54.79 55.47 3h33 n ASP 67 Cb 0.12 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3h33 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h33 s HIS 69 N -2.17 3.00 -0.28 0.00 3.76 0.14 -4.23 115.29 115.50 3h33 s HIS 69 Ca -0.09 0.67 -0.02 0.00 -0.15 0.00 0.00 55.06 55.46 3h33 s HIS 69 Cb 0.03 -3.85 0.09 0.00 1.11 0.00 0.00 32.58 29.96 3h33 s HIS 69 CO 0.12 -0.97 0.10 0.15 -0.85 0.00 0.00 174.74 173.29 3h33 s LYS 70 N 3.70 0.53 0.00 1.40 1.02 -0.90 -4.35 119.74 121.14 3h33 s LYS 70 Ca 0.39 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.61 3h33 s LYS 70 Cb -0.11 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3h33 s LYS 70 CO 0.23 -0.93 0.11 0.41 -0.92 0.00 0.00 175.35 174.24