#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i72 s HIS 5 N 0.00 -0.79 -0.08 0.00 5.04 -1.26 -5.17 115.29 113.04 1i72 s HIS 5 Ca 0.00 1.82 -0.23 0.00 -1.54 0.00 0.00 55.06 55.10 1i72 s HIS 5 Cb 0.00 0.36 0.05 0.00 0.04 0.00 0.00 32.58 33.03 1i72 s HIS 5 CO 0.00 -0.38 0.54 0.12 -2.34 0.00 0.00 174.74 172.68 1i72 s PHE 6 N 0.65 -0.51 -0.05 3.88 5.36 -1.26 -5.16 117.98 120.90 1i72 s PHE 6 Ca -0.02 0.96 -0.02 0.00 -0.96 0.00 0.00 56.93 56.89 1i72 s PHE 6 Cb -0.05 0.27 0.04 0.00 -0.34 0.00 0.00 43.02 42.94 1i72 s PHE 6 CO -0.05 -0.47 0.09 0.12 -1.46 0.00 0.00 175.22 173.45 1i72 s PHE 7 N -0.89 -0.04 -0.79 10.12 5.36 -1.26 -5.10 117.98 125.39 1i72 s PHE 7 Ca -0.09 0.36 -0.25 0.00 -0.96 0.00 0.00 56.93 55.99 1i72 s PHE 7 Cb -0.03 -0.34 0.05 0.00 -0.34 0.00 0.00 43.02 42.37 1i72 s PHE 7 CO 0.06 -0.19 1.24 -2.00 -1.46 0.00 0.00 175.22 172.87 1i72 s GLU 8 N 1.91 3.28 0.30 10.12 2.56 -1.26 -4.87 118.70 130.74 1i72 s GLU 8 Ca 0.01 -0.63 0.06 0.00 0.00 0.00 0.00 54.97 54.41 1i72 s GLU 8 Cb -0.12 -4.46 0.46 0.00 2.00 0.00 0.00 34.13 32.01 1i72 s GLU 8 CO -0.04 -2.07 1.72 0.78 -0.56 0.00 0.00 175.26 175.09 1i72 h GLY 9 N 12.48 0.31 -5.67 -1.50 0.00 -2.06 -3.44 103.07 103.19 1i72 h GLY 9 Ca -0.16 -0.28 -0.64 0.00 0.00 0.00 0.00 47.33 46.25 1i72 h GLY 9 CO 1.28 0.26 0.95 2.41 0.00 0.00 0.00 176.54 181.44 1i72 n THR 10 N -4.06 0.37 -3.21 4.70 -1.04 -1.26 -4.96 114.28 104.82 1i72 n THR 10 Ca -0.01 -0.07 -0.26 0.00 -2.04 0.00 0.00 64.05 61.67 1i72 n THR 10 Cb 0.45 -1.60 -0.01 0.00 -1.82 0.00 0.00 70.33 67.34 1i72 n THR 10 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1i72 s GLU 11 N 3.04 3.54 -0.19 -2.82 8.01 -1.26 -5.09 118.70 123.93 1i72 s GLU 11 Ca 0.90 -0.13 -0.08 0.00 0.01 0.00 0.00 54.97 55.68 1i72 s GLU 11 Cb -0.78 -2.60 -0.04 0.00 -4.31 0.00 0.00 34.13 26.40 1i72 s GLU 11 CO 0.51 0.09 0.07 0.15 0.01 0.00 0.00 175.26 176.09 1i72 s LYS 12 N -4.21 3.96 -0.15 1.61 1.02 -1.26 -5.09 119.74 115.62 1i72 s LYS 12 Ca 0.43 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 56.08 1i72 s LYS 12 Cb -0.10 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1i72 s LYS 12 CO 0.36 0.23 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.67 1i72 s LEU 13 N 0.49 1.98 -0.12 3.17 2.96 -1.26 -5.11 118.68 120.79 1i72 s LEU 13 Ca 0.03 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1i72 s LEU 13 Cb -0.13 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.21 1i72 s LEU 13 CO 0.01 0.02 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.63 1i72 s LEU 14 N 1.10 2.22 -0.05 -0.68 2.96 -1.26 -5.11 118.68 117.86 1i72 s LEU 14 Ca -0.01 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1i72 s LEU 14 Cb -0.14 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1i72 s LEU 14 CO -0.07 0.13 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.35 1i72 s GLU 15 N 0.51 0.86 -0.02 1.98 2.12 -1.26 -5.14 118.70 117.74 1i72 s GLU 15 Ca -0.14 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.11 1i72 s GLU 15 Cb -0.17 -0.89 0.01 0.00 0.26 0.00 0.00 34.13 33.34 1i72 s GLU 15 CO 0.05 -0.10 -0.06 0.08 -0.54 0.00 0.00 175.26 174.69 1i72 s VAL 16 N 1.02 0.53 -0.19 3.70 1.01 -1.26 -5.13 120.40 120.08 1i72 s VAL 16 Ca -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1i72 s VAL 16 Cb -0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1i72 s VAL 16 CO -0.00 0.18 -0.03 0.26 0.00 0.00 0.00 175.10 175.51 1i72 s TRP 17 N 0.29 3.00 0.27 5.22 0.52 -1.26 -5.11 118.94 121.86 1i72 s TRP 17 Ca -0.04 -0.54 0.06 0.00 0.02 0.00 0.00 56.10 55.60 1i72 s TRP 17 Cb -0.08 -2.04 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1i72 s TRP 17 CO -0.00 -0.26 0.34 -0.06 0.02 0.00 0.00 176.95 176.99 1i72 s PHE 18 N 0.91 3.25 0.29 -1.98 0.40 -1.26 -5.13 117.98 114.47 1i72 s PHE 18 Ca 0.00 -0.11 -0.20 0.00 -0.60 0.00 0.00 56.93 56.02 1i72 s PHE 18 Cb -0.14 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.78 1i72 s PHE 18 CO 0.01 0.35 0.73 -1.54 0.70 0.00 0.00 175.22 175.48 1i72 s SER 19 N -3.99 -0.22 -0.11 1.36 1.04 -1.26 -5.16 113.70 105.35 1i72 s SER 19 Ca 0.37 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 56.15 1i72 s SER 19 Cb -0.09 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1i72 s SER 19 CO 0.28 -1.39 -0.23 -0.60 0.98 0.00 0.00 173.24 172.29 1i72 s ARG 20 N -3.70 3.05 0.33 4.02 3.52 -1.26 -5.00 118.95 119.91 1i72 s ARG 20 Ca 0.12 -0.87 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1i72 s ARG 20 Cb -0.06 -2.35 0.56 0.00 -1.56 0.00 0.00 34.95 31.54 1i72 s ARG 20 CO 0.07 0.12 1.99 0.37 -0.81 0.00 0.00 175.30 177.04 1i72 h GLN 21 N 6.91 0.94 0.00 5.12 4.15 -2.03 -3.47 115.11 126.73 1i72 h GLN 21 Ca -0.23 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1i72 h GLN 21 Cb 1.22 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1i72 h GLN 21 CO 0.50 0.62 0.00 0.94 -1.93 0.00 0.00 178.83 178.96 1i72 n GLN 22 N -4.43 0.00 -1.13 1.69 -0.06 -1.26 -5.33 117.38 106.86 1i72 n GLN 22 Ca 0.08 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.75 1i72 n GLN 22 Cb 0.05 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.21 1i72 n GLN 22 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1i72 n PRO 23 N 0.00 2.67 0.00 3.69 -0.04 -1.26 -5.23 135.00 134.83 1i72 n PRO 23 Ca 0.00 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1i72 n PRO 23 Cb 0.00 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 1i72 n PRO 23 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1i72 n GLN 27 N 4.62 0.24 -0.51 0.54 7.27 -1.26 -5.32 117.38 122.97 1i72 n GLN 27 Ca 0.58 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.72 1i72 n GLN 27 Cb 0.24 -0.66 -0.02 0.00 2.41 0.00 0.00 30.24 32.21 1i72 n GLN 27 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1i72 n GLY 28 N 1.99 -1.97 0.13 1.69 0.00 -1.26 -4.40 105.19 101.37 1i72 n GLY 28 Ca 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 1i72 n GLY 28 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i72 h SER 29 N -0.47 0.00 -0.21 1.61 4.64 -2.04 -3.47 113.55 113.61 1i72 h SER 29 Ca 0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1i72 h SER 29 Cb 0.46 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1i72 h SER 29 CO 0.00 0.64 -0.08 0.61 -0.87 0.00 0.00 176.83 177.13 1i72 n GLY 30 N 0.49 0.72 3.03 -0.77 0.00 -1.26 -5.00 105.19 102.41 1i72 n GLY 30 Ca -0.01 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1i72 n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i72 s ASP 31 N -2.73 0.05 0.53 1.61 -1.08 -1.26 -5.03 116.67 108.76 1i72 s ASP 31 Ca 0.00 0.55 0.25 0.00 -0.52 0.00 0.00 52.55 52.83 1i72 s ASP 31 Cb 0.00 0.54 1.48 0.00 -1.46 0.00 0.00 42.92 43.48 1i72 s ASP 31 CO 0.00 -0.20 2.12 -0.07 0.52 0.00 0.00 175.17 177.54 1i72 h LEU 32 N 7.74 0.00 0.00 -1.34 3.38 -2.00 -2.67 115.31 120.43 1i72 h LEU 32 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1i72 h LEU 32 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1i72 h LEU 32 CO 0.26 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.41 1i72 n ARG 33 N -3.88 0.02 0.14 1.13 1.74 -1.26 -2.03 116.66 112.53 1i72 n ARG 33 Ca -0.02 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1i72 n ARG 33 Cb 0.18 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.31 1i72 n ARG 33 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1i72 h THR 34 N 0.00 1.31 -2.21 0.55 2.02 -1.91 -3.43 112.91 109.24 1i72 h THR 34 Ca 0.00 -2.07 -0.58 0.00 0.77 0.00 0.00 66.41 64.53 1i72 h THR 34 Cb 0.16 2.15 0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1i72 h THR 34 CO 0.00 0.57 1.09 -0.38 0.37 0.00 0.00 175.52 177.17 1i72 n ILE 35 N -3.69 0.52 -1.38 3.11 5.41 -0.86 -4.93 119.36 117.53 1i72 n ILE 35 Ca -0.01 -0.09 -0.32 0.00 1.00 0.00 0.00 62.75 63.33 1i72 n ILE 35 Cb 0.62 -1.97 0.09 0.00 -0.71 0.00 0.00 39.64 37.66 1i72 n ILE 35 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1i72 s PRO 36 N 3.54 2.24 0.26 0.38 0.02 -1.26 -4.92 135.00 135.26 1i72 s PRO 36 Ca 0.88 1.41 -0.04 0.00 0.02 0.00 0.00 61.00 63.27 1i72 s PRO 36 Cb -0.60 -1.88 0.33 0.00 0.02 0.00 0.00 34.50 32.37 1i72 s PRO 36 CO 0.45 -1.69 1.91 -0.09 -0.33 0.00 0.00 177.00 177.26 1i72 h ARG 37 N -0.68 1.25 -0.79 5.54 9.65 -1.95 -1.82 114.38 125.57 1i72 h ARG 37 Ca -0.45 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 58.42 1i72 h ARG 37 Cb 1.25 -0.28 -0.05 0.00 -1.39 0.00 0.00 29.97 29.50 1i72 h ARG 37 CO 0.51 0.83 0.52 0.66 2.80 0.00 0.00 179.97 185.28 1i72 h SER 38 N 1.29 0.75 0.29 -3.80 4.64 -1.99 -0.51 113.55 114.21 1i72 h SER 38 Ca 0.40 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.56 1i72 h SER 38 Cb -0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1i72 h SER 38 CO -0.12 0.48 -0.65 -0.33 -0.87 0.00 0.00 176.83 175.34 1i72 h GLU 39 N 0.85 0.34 -0.25 4.77 4.39 -1.71 -2.49 114.58 120.48 1i72 h GLU 39 Ca 0.34 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.65 1i72 h GLU 39 Cb 0.25 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1i72 h GLU 39 CO -0.12 0.87 -0.45 -1.49 -1.16 0.00 0.00 179.01 176.66 1i72 h TRP 40 N 0.24 0.78 -0.73 4.33 -0.00 -1.00 -1.85 115.95 117.72 1i72 h TRP 40 Ca -0.01 -0.25 -0.02 0.00 -0.00 0.00 0.00 58.89 58.61 1i72 h TRP 40 Cb 1.19 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 30.16 1i72 h TRP 40 CO 0.03 0.98 0.39 -0.44 -0.00 0.00 0.00 178.44 179.40 1i72 h ASP 41 N 0.52 0.92 -0.06 -3.49 3.32 -1.02 -0.76 116.42 115.85 1i72 h ASP 41 Ca 0.03 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1i72 h ASP 41 Cb 0.99 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1i72 h ASP 41 CO 0.09 0.76 -0.02 0.40 -1.72 0.00 0.00 179.24 178.75 1i72 h ILE 42 N 1.01 1.30 -0.89 0.35 2.04 -1.37 -2.94 117.51 117.01 1i72 h ILE 42 Ca 0.26 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.21 1i72 h ILE 42 Cb 0.05 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1i72 h ILE 42 CO -0.04 0.26 0.57 0.25 0.00 0.00 0.00 178.15 179.19 1i72 h LEU 43 N -0.24 0.93 -1.58 1.44 6.46 -1.17 -2.36 115.31 118.80 1i72 h LEU 43 Ca 0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1i72 h LEU 43 Cb 0.43 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1i72 h LEU 43 CO 0.01 0.62 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.34 1i72 h LEU 44 N 1.08 0.00 -1.15 2.25 3.38 -1.12 -3.09 115.31 116.66 1i72 h LEU 44 Ca 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1i72 h LEU 44 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1i72 h LEU 44 CO -0.14 0.04 0.36 0.11 0.09 0.00 0.00 178.44 178.90 1i72 h LYS 45 N 0.00 0.95 0.00 1.13 1.57 -1.24 -1.70 116.57 117.29 1i72 h LYS 45 Ca -0.00 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1i72 h LYS 45 Cb 0.49 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1i72 h LYS 45 CO 0.01 0.71 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.14 1i72 h ASP 46 N 0.96 0.00 1.45 0.86 5.19 -1.67 -2.52 116.42 120.69 1i72 h ASP 46 Ca 0.24 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1i72 h ASP 46 Cb 0.05 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1i72 h ASP 46 CO -0.04 0.02 -0.55 0.58 -3.12 0.00 0.00 179.24 176.13 1i72 h VAL 47 N 0.00 0.06 -1.81 -1.35 2.07 -1.45 -3.48 116.25 110.29 1i72 h VAL 47 Ca -0.00 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1i72 h VAL 47 Cb 0.68 1.78 0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1i72 h VAL 47 CO 0.00 0.03 -0.10 0.00 0.02 0.00 0.00 177.57 177.52 1i72 n GLN 48 N -2.90 -1.20 -3.92 1.57 6.02 -0.74 -5.07 117.38 111.13 1i72 n GLN 48 Ca 0.01 0.13 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 1i72 n GLN 48 Cb 0.56 -3.02 -0.05 0.00 1.02 0.00 0.00 30.24 28.75 1i72 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i72 s SER 50 N -2.97 0.12 0.01 0.00 1.04 -0.87 -4.14 113.70 106.89 1i72 s SER 50 Ca 0.18 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.44 1i72 s SER 50 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1i72 s SER 50 CO 0.03 -0.81 1.10 -0.63 0.98 0.00 0.00 173.24 173.91 1i72 s ILE 51 N -3.95 4.44 -0.08 -1.02 1.01 -1.26 -0.50 121.20 119.84 1i72 s ILE 51 Ca 0.14 1.75 0.05 0.00 0.00 0.00 0.00 60.65 62.59 1i72 s ILE 51 Cb 0.05 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 1i72 s ILE 51 CO -0.03 0.11 0.13 2.30 0.00 0.00 0.00 174.94 177.45 1i72 n ILE 52 N 4.06 0.00 -3.65 2.92 -5.35 -0.49 -4.92 119.36 111.93 1i72 n ILE 52 Ca 0.08 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.20 1i72 n ILE 52 Cb 0.48 0.62 -0.08 0.00 -1.74 0.00 0.00 39.64 38.93 1i72 n ILE 52 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1i72 s SER 53 N -2.11 -0.48 -0.02 7.28 0.15 -1.18 -4.99 113.70 112.36 1i72 s SER 53 Ca -0.00 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1i72 s SER 53 Cb 0.03 0.66 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 1i72 s SER 53 CO 0.19 -0.42 0.00 -0.69 1.20 0.00 0.00 173.24 173.52 1i72 s VAL 54 N -0.74 0.10 -0.04 4.45 1.01 -1.26 -0.97 120.40 122.95 1i72 s VAL 54 Ca -0.08 0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1i72 s VAL 54 Cb -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1i72 s VAL 54 CO 0.05 0.09 -0.03 -0.89 0.00 0.00 0.00 175.10 174.33 1i72 s THR 55 N 0.68 0.38 0.14 3.92 2.01 0.21 -5.01 115.64 117.97 1i72 s THR 55 Ca -0.06 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.01 1i72 s THR 55 Cb -0.09 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1i72 s THR 55 CO -0.02 0.19 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.32 1i72 s LYS 56 N 0.97 1.48 0.31 4.92 1.02 -1.26 -0.19 119.74 127.00 1i72 s LYS 56 Ca -0.10 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 54.57 1i72 s LYS 56 Cb -0.14 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1i72 s LYS 56 CO -0.01 0.45 0.16 0.95 -0.92 0.00 0.00 175.35 175.98 1i72 s THR 57 N -1.17 0.34 0.27 2.17 -4.23 -0.51 -5.02 115.64 107.49 1i72 s THR 57 Ca 0.16 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1i72 s THR 57 Cb -0.10 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.50 1i72 s THR 57 CO 0.07 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 176.52 1i72 h ASP 58 N 2.19 1.07 0.61 3.99 3.32 -2.05 -3.24 116.42 122.30 1i72 h ASP 58 Ca -0.33 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.54 1i72 h ASP 58 Cb 1.25 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1i72 h ASP 58 CO 0.52 0.75 -1.51 0.29 -1.72 0.00 0.00 179.24 177.56 1i72 n LYS 59 N -4.43 0.63 -3.59 3.56 5.02 -1.26 -5.02 118.16 113.08 1i72 n LYS 59 Ca 0.13 0.16 -0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1i72 n LYS 59 Cb 0.08 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1i72 n LYS 59 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1i72 s GLN 60 N -2.97 1.25 -0.11 1.97 -2.07 -1.22 -5.15 119.66 111.35 1i72 s GLN 60 Ca -0.04 -0.67 0.03 0.00 -1.82 0.00 0.00 55.36 52.86 1i72 s GLN 60 Cb 0.09 0.53 0.01 0.00 -1.09 0.00 0.00 33.01 32.55 1i72 s GLN 60 CO 0.82 -0.53 -0.21 -1.21 -1.32 0.00 0.00 175.29 172.84 1i72 s GLU 61 N -3.81 2.77 -0.08 9.60 2.02 -1.26 -1.42 118.70 126.53 1i72 s GLU 61 Ca 0.04 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.27 1i72 s GLU 61 Cb -0.00 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1i72 s GLU 61 CO -0.09 0.05 -0.09 0.00 0.02 0.00 0.00 175.26 175.15 1i72 s ALA 62 N 0.65 2.88 -0.01 5.21 0.00 0.74 -4.99 121.76 126.25 1i72 s ALA 62 Ca -0.12 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.00 1i72 s ALA 62 Cb -0.16 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 1i72 s ALA 62 CO 0.03 0.51 -0.21 0.71 0.00 0.00 0.00 175.76 176.79 1i72 s TYR 63 N -0.57 1.86 -0.20 0.00 1.51 -1.26 -0.62 117.35 118.06 1i72 s TYR 63 Ca 0.08 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 1i72 s TYR 63 Cb -0.12 -1.19 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 1i72 s TYR 63 CO 0.02 -0.02 0.11 0.08 -1.11 0.00 0.00 175.55 174.62 1i72 s VAL 64 N -0.51 5.13 0.20 0.71 1.01 -0.15 -4.99 120.40 121.81 1i72 s VAL 64 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1i72 s VAL 64 Cb -0.08 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1i72 s VAL 64 CO -0.01 0.42 0.22 -0.76 0.00 0.00 0.00 175.10 174.98 1i72 s LEU 65 N 0.57 4.00 0.02 3.92 1.43 -1.26 -1.39 118.68 125.96 1i72 s LEU 65 Ca 0.06 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1i72 s LEU 65 Cb -0.12 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 1i72 s LEU 65 CO 0.00 0.01 -0.12 -0.55 0.23 0.00 0.00 176.35 175.93 1i72 s SER 66 N -3.51 1.38 0.00 2.29 0.15 0.34 -4.87 113.70 109.48 1i72 s SER 66 Ca 0.33 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1i72 s SER 66 Cb -0.09 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1i72 s SER 66 CO 0.26 0.05 0.00 -0.62 1.20 0.00 0.00 173.24 174.13