#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3c h ILE 15 N 0.00 0.06 -2.22 0.53 3.07 -2.04 -3.37 117.51 113.53 3i3c h ILE 15 Ca 0.00 -0.36 -0.59 0.00 1.55 0.00 0.00 64.86 65.46 3i3c h ILE 15 Cb 0.00 1.34 -0.41 0.00 -0.27 0.00 0.00 36.82 37.48 3i3c h ILE 15 CO 0.00 0.01 -0.80 0.00 -1.05 0.00 0.00 178.15 176.31 3i3c n ALA 16 N -2.10 3.34 -1.33 0.16 0.00 -1.26 -4.56 120.51 114.75 3i3c n ALA 16 Ca -0.01 -4.14 0.04 0.00 0.00 0.00 0.00 53.44 49.33 3i3c n ALA 16 Cb 0.23 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 19.00 3i3c n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i3c n ARG 17 N 1.30 1.81 -0.25 0.00 1.74 -1.17 -4.05 116.66 116.03 3i3c n ARG 17 Ca 0.26 -3.02 0.08 0.00 -0.77 0.00 0.00 57.85 54.40 3i3c n ARG 17 Cb 0.45 -1.69 0.17 0.00 -1.02 0.00 0.00 32.46 30.37 3i3c n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i3c n GLY 18 N -1.10 -1.07 0.34 -0.13 0.00 -0.03 -0.42 105.19 102.78 3i3c n GLY 18 Ca 0.23 0.73 0.16 0.00 0.00 0.00 0.00 46.02 47.14 3i3c n GLY 18 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i3c h PHE 19 N 0.00 0.00 0.00 1.61 0.05 -1.90 -2.28 116.94 114.42 3i3c h PHE 19 Ca 0.40 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.19 3i3c h PHE 19 Cb 0.76 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.71 3i3c h PHE 19 CO -0.44 0.00 0.00 0.39 -0.18 0.00 0.00 178.31 178.08 3i3c n GLU 20 N -4.36 0.08 0.21 1.51 1.02 0.44 -0.53 120.64 119.00 3i3c n GLU 20 Ca 0.05 0.44 0.15 0.00 -0.02 0.00 0.00 57.16 57.78 3i3c n GLU 20 Cb 0.42 -1.69 0.58 0.00 -0.02 0.00 0.00 31.44 30.73 3i3c n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i3c h ARG 21 N 0.00 0.00 -2.18 3.49 3.08 -1.56 -3.47 114.38 113.74 3i3c h ARG 21 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3i3c h ARG 21 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.22 3i3c h ARG 21 CO 0.00 0.00 -0.30 0.41 -1.07 0.00 0.00 179.97 179.01 3i3c n GLY 22 N 0.13 0.01 3.83 0.04 0.00 0.31 -5.03 105.19 104.47 3i3c n GLY 22 Ca 0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 3i3c n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3c s LEU 23 N -3.46 3.86 0.19 0.99 1.43 -1.26 -5.10 118.68 115.32 3i3c s LEU 23 Ca 0.10 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3i3c s LEU 23 Cb -0.04 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 3i3c s LEU 23 CO 0.12 -0.01 1.08 -1.83 0.23 0.00 0.00 176.35 175.94 3i3c s GLU 24 N -3.66 4.62 0.53 1.70 4.04 -1.26 -4.98 118.70 119.69 3i3c s GLU 24 Ca 0.32 1.70 -0.18 0.00 0.04 0.00 0.00 54.97 56.85 3i3c s GLU 24 Cb -0.09 -3.27 -0.06 0.00 0.02 0.00 0.00 34.13 30.73 3i3c s GLU 24 CO 0.25 0.13 1.06 -1.25 -1.84 0.00 0.00 175.26 173.60 3i3c s PRO 25 N -0.52 3.57 0.00 -4.83 0.04 -1.26 -1.49 135.00 130.51 3i3c s PRO 25 Ca 0.48 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.85 3i3c s PRO 25 Cb -0.29 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3i3c s PRO 25 CO 0.35 -0.62 0.00 -1.91 0.04 0.00 0.00 177.00 174.86 3i3c n GLU 26 N -1.40 0.00 -3.64 4.56 2.13 0.32 -4.52 120.64 118.09 3i3c n GLU 26 Ca 0.09 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.87 3i3c n GLU 26 Cb 0.52 -0.63 -0.07 0.00 0.27 0.00 0.00 31.44 31.53 3i3c n GLU 26 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3i3c s LYS 27 N -2.00 0.47 -0.04 5.31 2.20 -1.08 -5.00 119.74 119.60 3i3c s LYS 27 Ca 0.00 0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 56.11 3i3c s LYS 27 Cb 0.00 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 3i3c s LYS 27 CO 0.00 -0.09 0.90 0.42 -0.36 0.00 0.00 175.35 176.22 3i3c s ILE 28 N 1.25 4.90 -0.91 5.43 1.01 -1.26 -0.85 121.20 130.77 3i3c s ILE 28 Ca -0.08 1.87 0.09 0.00 0.00 0.00 0.00 60.65 62.54 3i3c s ILE 28 Cb -0.04 -4.24 0.19 0.00 0.01 0.00 0.00 42.46 38.38 3i3c s ILE 28 CO -0.15 0.15 1.06 2.30 0.00 0.00 0.00 174.94 178.30 3i3c n ILE 29 N 4.03 0.63 0.00 2.92 -5.35 -0.30 -4.93 119.36 116.35 3i3c n ILE 29 Ca 0.04 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 3i3c n ILE 29 Cb 0.51 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 3i3c n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i3c n GLY 30 N 0.41 0.58 3.41 3.28 0.00 -1.24 -4.95 105.19 106.67 3i3c n GLY 30 Ca 0.08 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 3i3c n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3c s ALA 31 N -2.00 -1.04 -0.10 4.61 0.00 -1.26 -0.69 121.76 121.28 3i3c s ALA 31 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.62 3i3c s ALA 31 Cb 0.00 0.79 0.12 0.00 0.00 0.00 0.00 23.12 24.03 3i3c s ALA 31 CO 0.00 -0.72 1.03 -0.08 0.00 0.00 0.00 175.76 175.99 3i3c s THR 32 N -3.82 0.00 -0.45 0.00 -1.32 -0.77 -4.96 115.64 104.32 3i3c s THR 32 Ca 0.05 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.33 3i3c s THR 32 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 3i3c s THR 32 CO -0.09 0.00 0.61 -1.81 -2.21 0.00 0.00 174.62 171.13 3i3c s ASP 33 N -2.18 6.29 0.09 8.08 1.01 -1.26 -0.56 116.67 128.14 3i3c s ASP 33 Ca 0.06 -0.48 0.07 0.00 0.71 0.00 0.00 52.55 52.92 3i3c s ASP 33 Cb -0.01 -2.30 -0.22 0.00 1.01 0.00 0.00 42.92 41.40 3i3c s ASP 33 CO -0.06 -0.77 1.15 -1.28 0.21 0.00 0.00 175.17 174.42 3i3c h SER 34 N 8.88 0.03 -2.64 0.27 0.87 -2.00 -3.50 113.55 115.46 3i3c h SER 34 Ca -0.26 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3i3c h SER 34 Cb 1.10 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3i3c h SER 34 CO 0.89 1.03 0.00 0.47 -0.53 0.00 0.00 176.83 178.69 3i3c n ASP 37 N -3.31 0.00 -4.59 6.23 8.00 -1.26 -5.11 116.55 116.51 3i3c n ASP 37 Ca -0.04 0.88 -0.48 0.00 0.71 0.00 0.00 54.79 55.86 3i3c n ASP 37 Cb 0.97 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.71 3i3c n ASP 37 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i3c n LEU 38 N 0.78 1.79 -4.07 0.64 7.94 -1.26 -4.92 117.00 117.89 3i3c n LEU 38 Ca 0.00 1.14 -0.18 0.00 -1.11 0.00 0.00 56.01 55.86 3i3c n LEU 38 Cb 0.00 -1.25 -0.14 0.00 0.53 0.00 0.00 43.42 42.56 3i3c n LEU 38 CO 0.00 -1.19 -0.44 -0.04 -1.11 0.00 0.00 177.39 174.62 3i3c s MET 39 N -0.47 0.77 -0.13 1.96 -1.94 0.28 -2.16 119.30 117.60 3i3c s MET 39 Ca 0.71 -0.54 -0.03 0.00 -1.71 0.00 0.00 55.69 54.12 3i3c s MET 39 Cb -0.81 -0.72 -0.03 0.00 2.01 0.00 0.00 34.83 35.28 3i3c s MET 39 CO 0.52 0.18 -0.01 -0.06 -0.01 0.00 0.00 175.02 175.64 3i3c s PHE 40 N -0.61 3.09 -0.42 -0.03 0.08 0.18 -1.84 117.98 118.43 3i3c s PHE 40 Ca 0.01 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.71 3i3c s PHE 40 Cb -0.06 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 3i3c s PHE 40 CO 0.00 0.19 1.16 -1.17 -0.10 0.00 0.00 175.22 175.31 3i3c s LEU 41 N -0.16 3.72 -0.20 -0.37 2.96 0.13 -1.77 118.68 122.99 3i3c s LEU 41 Ca 0.04 0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 54.58 3i3c s LEU 41 Cb -0.13 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3i3c s LEU 41 CO 0.02 -1.17 0.05 -0.32 -1.32 0.00 0.00 176.35 173.62 3i3c s MET 42 N 4.29 3.86 -0.02 1.98 -2.45 -0.46 -1.15 119.30 125.35 3i3c s MET 42 Ca 0.49 -0.40 -0.18 0.00 -1.25 0.00 0.00 55.69 54.35 3i3c s MET 42 Cb -0.10 -3.21 -0.05 0.00 1.25 0.00 0.00 34.83 32.72 3i3c s MET 42 CO 0.27 0.14 0.51 0.21 1.05 0.00 0.00 175.02 177.21 3i3c s LYS 43 N 0.71 4.19 0.21 4.11 2.20 -0.03 -1.15 119.74 129.98 3i3c s LYS 43 Ca 0.03 0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 56.14 3i3c s LYS 43 Cb -0.13 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 3i3c s LYS 43 CO 0.02 0.46 0.50 -1.58 -0.36 0.00 0.00 175.35 174.38 3i3c s TRP 44 N -0.41 3.44 0.20 4.03 0.52 -0.95 -0.52 118.94 125.25 3i3c s TRP 44 Ca 0.27 0.77 -0.33 0.00 0.02 0.00 0.00 56.10 56.83 3i3c s TRP 44 Cb -0.17 -2.17 -0.13 0.00 -1.15 0.00 0.00 33.47 29.84 3i3c s TRP 44 CO 0.15 0.31 1.61 0.36 0.02 0.00 0.00 176.95 179.40 3i3c n LYS 45 N -0.11 2.40 0.00 4.98 -0.00 -0.55 -3.22 118.16 121.66 3i3c n LYS 45 Ca -0.00 0.86 0.00 0.00 -0.00 0.00 0.00 58.31 59.17 3i3c n LYS 45 Cb 0.52 -2.65 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 3i3c n LYS 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i3c n ASP 46 N 3.32 0.00 -4.90 -5.58 8.00 -1.26 -4.91 116.55 111.21 3i3c n ASP 46 Ca 0.15 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.33 3i3c n ASP 46 Cb 0.32 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.83 3i3c n ASP 46 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3i3c s THR 47 N -0.68 5.34 -1.35 -3.53 -1.32 -1.20 -5.03 115.64 107.88 3i3c s THR 47 Ca 0.00 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 60.26 3i3c s THR 47 Cb 0.00 -3.59 0.12 0.00 -1.51 0.00 0.00 72.50 67.52 3i3c s THR 47 CO 0.00 0.22 2.12 0.47 -2.21 0.00 0.00 174.62 175.23 3i3c n ASP 48 N 0.62 5.73 -3.90 8.08 8.00 -1.26 -4.48 116.55 129.34 3i3c n ASP 48 Ca -0.08 -3.03 -0.11 0.00 0.71 0.00 0.00 54.79 52.29 3i3c n ASP 48 Cb 0.52 -1.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.02 3i3c n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i3c s GLU 49 N 0.71 0.39 0.00 -1.24 2.02 -1.26 -5.09 118.70 114.23 3i3c s GLU 49 Ca 0.46 -0.38 -0.05 0.00 0.02 0.00 0.00 54.97 55.01 3i3c s GLU 49 Cb 0.13 0.16 -0.00 0.00 0.10 0.00 0.00 34.13 34.51 3i3c s GLU 49 CO -0.04 -0.08 0.10 0.00 0.02 0.00 0.00 175.26 175.26 3i3c s ALA 50 N -1.21 -0.22 0.03 5.21 0.00 -1.26 -2.24 121.76 122.07 3i3c s ALA 50 Ca -0.13 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 3i3c s ALA 50 Cb -0.07 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3i3c s ALA 50 CO 0.01 -0.18 0.31 -0.51 0.00 0.00 0.00 175.76 175.39 3i3c s ASP 51 N -1.23 -0.15 0.30 0.00 1.01 -0.30 -4.91 116.67 111.39 3i3c s ASP 51 Ca -0.13 -0.10 -0.29 0.00 0.71 0.00 0.00 52.55 52.74 3i3c s ASP 51 Cb -0.07 0.35 -0.10 0.00 1.01 0.00 0.00 42.92 44.10 3i3c s ASP 51 CO 0.01 -0.56 1.28 -0.76 0.21 0.00 0.00 175.17 175.35 3i3c s LEU 52 N -1.83 4.44 0.02 1.23 1.43 -1.26 -1.36 118.68 121.36 3i3c s LEU 52 Ca -0.08 2.59 -0.01 0.00 -1.03 0.00 0.00 54.13 55.61 3i3c s LEU 52 Cb -0.02 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 3i3c s LEU 52 CO -0.01 -0.48 -0.02 0.68 0.23 0.00 0.00 176.35 176.75 3i3c s VAL 53 N -0.93 0.12 0.18 -1.59 -7.23 -0.73 -0.85 120.40 109.36 3i3c s VAL 53 Ca 0.50 -0.98 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 3i3c s VAL 53 Cb -0.38 -0.38 -0.08 0.00 0.56 0.00 0.00 36.38 36.10 3i3c s VAL 53 CO 0.49 -0.54 1.12 -0.76 -0.31 0.00 0.00 175.10 175.10 3i3c s LEU 54 N -1.59 4.48 0.27 1.32 1.43 -1.26 -0.64 118.68 122.69 3i3c s LEU 54 Ca -0.14 2.12 -0.04 0.00 -1.03 0.00 0.00 54.13 55.04 3i3c s LEU 54 Cb -0.08 -3.60 0.35 0.00 0.03 0.00 0.00 46.19 42.89 3i3c s LEU 54 CO -0.02 -0.26 1.94 0.00 0.23 0.00 0.00 176.35 178.25 3i3c h ALA 55 N 5.14 1.35 -0.49 4.21 0.00 -1.77 -0.56 119.26 127.14 3i3c h ALA 55 Ca -0.44 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.48 3i3c h ALA 55 Cb 1.21 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3i3c h ALA 55 CO 0.73 0.59 0.14 -0.22 0.00 0.00 0.00 179.25 180.49 3i3c h LYS 56 N 1.25 0.29 -0.34 0.00 3.64 -1.93 0.52 116.57 120.00 3i3c h LYS 56 Ca 0.35 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 3i3c h LYS 56 Cb -0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3i3c h LYS 56 CO -0.09 0.19 -0.19 1.49 -2.27 0.00 0.00 179.45 178.59 3i3c h GLU 57 N 0.30 0.74 -0.05 1.90 4.81 -1.85 -3.26 114.58 117.16 3i3c h GLU 57 Ca 0.24 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3i3c h GLU 57 Cb 0.29 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3i3c h GLU 57 CO -0.28 0.94 -0.30 0.00 -0.73 0.00 0.00 179.01 178.65 3i3c h ALA 58 N 0.78 1.41 -0.87 2.92 0.00 -0.46 -1.23 119.26 121.81 3i3c h ALA 58 Ca 0.07 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3i3c h ALA 58 Cb 0.73 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 3i3c h ALA 58 CO 0.05 0.43 0.51 -0.91 0.00 0.00 0.00 179.25 179.34 3i3c h ASN 59 N 0.08 0.74 0.22 0.00 2.35 -0.96 0.88 115.58 118.89 3i3c h ASN 59 Ca 0.01 0.05 -0.30 0.00 -0.55 0.00 0.00 56.30 55.51 3i3c h ASN 59 Cb 0.58 -0.09 0.03 0.00 0.05 0.00 0.00 38.32 38.89 3i3c h ASN 59 CO 0.04 0.41 -1.30 0.58 -1.65 0.00 0.00 177.43 175.51 3i3c h VAL 60 N 0.84 1.34 0.10 2.81 2.07 -1.52 -3.18 116.25 118.71 3i3c h VAL 60 Ca 0.42 -2.63 -0.29 0.00 0.82 0.00 0.00 66.70 65.02 3i3c h VAL 60 Cb 0.40 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3i3c h VAL 60 CO -0.25 0.78 -1.41 0.11 0.02 0.00 0.00 177.57 176.82 3i3c h LYS 61 N 0.04 0.22 -1.70 1.57 6.56 -0.94 -3.40 116.57 118.91 3i3c h LYS 61 Ca -0.22 -0.37 -0.45 0.00 -1.06 0.00 0.00 60.65 58.55 3i3c h LYS 61 Cb 2.02 0.14 -0.31 0.00 -0.57 0.00 0.00 32.23 33.51 3i3c h LYS 61 CO 0.25 1.10 -0.85 0.00 -2.06 0.00 0.00 179.45 177.88 3i3c h PRO 63 N 4.88 1.08 -0.83 0.00 0.13 -1.58 -2.62 132.00 133.06 3i3c h PRO 63 Ca 0.12 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 3i3c h PRO 63 Cb 0.96 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 3i3c h PRO 63 CO 0.32 1.01 0.43 1.96 -0.23 0.00 0.00 178.00 181.48 3i3c h GLN 64 N 1.00 1.17 -0.59 0.86 1.08 -1.91 -0.30 115.11 116.41 3i3c h GLN 64 Ca 0.19 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 3i3c h GLN 64 Cb 0.48 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3i3c h GLN 64 CO 0.02 0.88 0.10 0.82 -0.95 0.00 0.00 178.83 179.69 3i3c h ILE 65 N 1.16 1.26 -0.25 2.54 2.04 -1.91 0.16 117.51 122.50 3i3c h ILE 65 Ca 0.29 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.18 3i3c h ILE 65 Cb 0.07 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3i3c h ILE 65 CO -0.04 0.36 0.10 0.58 0.00 0.00 0.00 178.15 179.16 3i3c h VAL 66 N 0.88 0.96 -0.60 1.67 2.07 -1.02 -2.27 116.25 117.95 3i3c h VAL 66 Ca 0.18 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 3i3c h VAL 66 Cb 0.42 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3i3c h VAL 66 CO 0.01 0.04 0.13 0.40 0.02 0.00 0.00 177.57 178.17 3i3c h ILE 67 N 0.23 1.24 -0.94 4.57 2.04 -0.88 -2.53 117.51 121.24 3i3c h ILE 67 Ca 0.11 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3i3c h ILE 67 Cb 0.06 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3i3c h ILE 67 CO -0.09 0.34 0.61 0.00 0.00 0.00 0.00 178.15 179.01 3i3c h ALA 68 N 1.24 1.24 0.18 1.87 0.00 -0.33 -1.91 119.26 121.55 3i3c h ALA 68 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i3c h ALA 68 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i3c h ALA 68 CO 0.00 0.49 -0.13 0.35 0.00 0.00 0.00 179.25 179.96 3i3c h PHE 69 N 1.19 -0.33 -0.11 0.00 3.57 -1.16 -2.28 116.94 117.82 3i3c h PHE 69 Ca 0.37 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3i3c h PHE 69 Cb -0.00 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3i3c h PHE 69 CO -0.01 -0.20 0.04 1.88 -2.23 0.00 0.00 178.31 177.79 3i3c h TYR 70 N -0.31 0.14 0.00 0.41 0.05 -1.04 -1.84 116.97 114.38 3i3c h TYR 70 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 3i3c h TYR 70 Cb 0.27 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 3i3c h TYR 70 CO -0.10 0.12 -0.16 0.93 -1.05 0.00 0.00 178.16 177.90 3i3c h GLU 71 N 0.15 0.00 0.00 4.88 5.08 -1.04 -3.52 114.58 120.13 3i3c h GLU 71 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3i3c h GLU 71 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i3c h GLU 71 CO -0.00 0.16 0.00 0.39 -1.00 0.00 0.00 179.01 178.56