#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 0.00 -2.27 0.53 1.08 -2.04 -3.36 117.51 111.44 3i3c h ILE 15 Ca 0.00 -0.23 -0.59 0.00 -0.39 0.00 0.00 64.86 63.66 3i3c h ILE 15 Cb 0.00 0.98 -0.40 0.00 -3.07 0.00 0.00 36.82 34.33 3i3c h ILE 15 CO 0.00 0.00 -0.87 0.00 -0.69 0.00 0.00 178.15 176.59 3i3c n ALA 16 N -1.85 3.10 -1.32 1.87 0.00 -1.26 -4.56 120.51 116.49 3i3c n ALA 16 Ca 0.01 -3.87 0.04 0.00 0.00 0.00 0.00 53.44 49.62 3i3c n ALA 16 Cb 0.20 -0.85 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 1.62 1.87 -0.32 0.00 1.74 -1.16 -4.19 116.66 116.21 3i3c n ARG 17 Ca 0.25 -3.02 0.28 0.00 -0.77 0.00 0.00 57.85 54.59 3i3c n ARG 17 Cb 0.46 -1.71 0.52 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.07 -0.89 0.34 -0.13 0.00 -0.06 -0.45 105.19 102.93 3i3c n GLY 18 Ca 0.24 0.84 0.21 0.00 0.00 0.00 0.00 46.02 47.31 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 -1.91 -2.35 116.94 114.35 3i3c h PHE 19 Ca 0.79 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.58 3i3c h PHE 19 Cb 2.01 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.96 3i3c h PHE 19 CO -0.12 0.00 0.00 0.39 -0.18 0.00 0.00 178.31 178.40 3i3c n GLU 20 N -3.16 0.15 0.19 1.51 1.02 0.40 -1.54 120.64 119.21 3i3c n GLU 20 Ca -0.03 0.30 0.14 0.00 -0.02 0.00 0.00 57.16 57.56 3i3c n GLU 20 Cb 0.13 -1.75 0.55 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.80 3.49 3.08 -1.58 -3.46 114.38 113.10 3i3c h ARG 21 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3i3c h ARG 21 Cb 0.44 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.53 3i3c h ARG 21 CO 0.00 0.00 -0.36 0.41 -1.07 0.00 0.00 179.97 178.95 3i3c n GLY 22 N 0.10 -0.03 3.78 0.04 0.00 -0.59 -5.04 105.19 103.46 3i3c n GLY 22 Ca 0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 3i3c n GLY 22 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i3c s LEU 23 N -4.11 3.53 0.05 0.99 2.34 -1.26 -5.10 118.68 115.11 3i3c s LEU 23 Ca 0.17 -0.50 -0.23 0.00 0.06 0.00 0.00 54.13 53.64 3i3c s LEU 23 Cb -0.08 -2.07 -0.06 0.00 -0.56 0.00 0.00 46.19 43.42 3i3c s LEU 23 CO 0.22 -0.17 0.69 -1.83 -1.06 0.00 0.00 176.35 174.20 3i3c s GLU 24 N -3.85 4.42 0.52 1.48 4.04 -1.26 -4.98 118.70 119.06 3i3c s GLU 24 Ca 0.36 0.94 -0.19 0.00 0.04 0.00 0.00 54.97 56.12 3i3c s GLU 24 Cb -0.06 -3.33 -0.07 0.00 0.02 0.00 0.00 34.13 30.69 3i3c s GLU 24 CO 0.24 0.39 1.06 -1.25 -1.84 0.00 0.00 175.26 173.85 3i3c s PRO 25 N -0.37 3.62 0.00 -4.83 0.04 -1.26 -1.29 135.00 130.91 3i3c s PRO 25 Ca 0.35 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3i3c s PRO 25 Cb -0.20 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3i3c s PRO 25 CO 0.21 -0.59 0.00 -1.91 0.04 0.00 0.00 177.00 174.76 3i3c n GLU 26 N -1.28 0.00 -3.62 4.56 2.13 0.49 -4.54 120.64 118.38 3i3c n GLU 26 Ca 0.09 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.90 3i3c n GLU 26 Cb 0.52 -0.67 -0.06 0.00 0.27 0.00 0.00 31.44 31.50 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 -1.95 0.31 -0.03 5.31 2.20 -1.02 -5.01 119.74 119.55 3i3c s LYS 27 Ca 0.00 0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 3i3c s LYS 27 Cb 0.00 0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 3i3c s LYS 27 CO 0.00 -0.07 1.03 0.42 -0.36 0.00 0.00 175.35 176.37 3i3c s ILE 28 N 1.39 4.69 -0.47 5.43 1.01 -1.26 -0.99 121.20 131.00 3i3c s ILE 28 Ca -0.08 1.95 0.07 0.00 0.00 0.00 0.00 60.65 62.59 3i3c s ILE 28 Cb -0.04 -4.25 0.20 0.00 0.01 0.00 0.00 42.46 38.39 3i3c s ILE 28 CO -0.14 0.09 1.16 2.30 0.00 0.00 0.00 174.94 178.35 3i3c n ILE 29 N 4.17 1.13 0.00 2.92 -5.35 -0.24 -4.95 119.36 117.03 3i3c n ILE 29 Ca 0.08 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 3i3c n ILE 29 Cb 0.49 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 -0.05 0.48 3.61 3.28 0.00 -1.23 -4.94 105.19 106.34 3i3c n GLY 30 Ca 0.08 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.64 -0.19 4.61 0.00 -1.26 -0.40 121.76 121.88 3i3c s ALA 31 Ca 0.00 -0.56 -0.34 0.00 0.00 0.00 0.00 51.96 51.06 3i3c s ALA 31 Cb 0.00 0.95 0.14 0.00 0.00 0.00 0.00 23.12 24.21 3i3c s ALA 31 CO 0.00 -0.87 1.20 -0.08 0.00 0.00 0.00 175.76 176.01 3i3c s THR 32 N -3.95 0.00 -0.40 0.00 -1.32 -0.88 -4.95 115.64 104.14 3i3c s THR 32 Ca 0.16 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.42 3i3c s THR 32 Cb -0.02 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 3i3c s THR 32 CO 0.04 0.00 0.72 -1.81 -2.21 0.00 0.00 174.62 171.36 3i3c s ASP 33 N -2.03 6.44 0.01 8.08 1.01 -1.26 -0.82 116.67 128.09 3i3c s ASP 33 Ca 0.08 0.06 -0.25 0.00 0.71 0.00 0.00 52.55 53.15 3i3c s ASP 33 Cb -0.01 -2.36 -0.16 0.00 1.01 0.00 0.00 42.92 41.40 3i3c s ASP 33 CO -0.05 -0.75 1.18 0.77 0.21 0.00 0.00 175.17 176.53 3i3c h SER 34 N 8.68 -0.47 -2.67 0.27 4.64 -2.00 -3.50 113.55 118.50 3i3c h SER 34 Ca -0.25 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3i3c h SER 34 Cb 1.10 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3i3c h SER 34 CO 0.90 -0.10 0.00 0.47 -0.87 0.00 0.00 176.83 177.23 3i3c n ASP 37 N -5.20 0.00 -4.59 4.97 8.00 -1.26 -5.10 116.55 113.37 3i3c n ASP 37 Ca -0.10 0.89 -0.50 0.00 0.71 0.00 0.00 54.79 55.79 3i3c n ASP 37 Cb 0.29 -1.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.01 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 0.90 1.62 -4.19 0.64 7.94 -1.26 -4.93 117.00 117.71 3i3c n LEU 38 Ca 0.00 1.13 -0.21 0.00 -1.11 0.00 0.00 56.01 55.82 3i3c n LEU 38 Cb 0.00 -1.21 -0.13 0.00 0.53 0.00 0.00 43.42 42.61 3i3c n LEU 38 CO 0.00 -1.18 -0.48 -0.04 -1.11 0.00 0.00 177.39 174.58 3i3c s MET 39 N -0.03 0.97 -0.10 1.96 -1.94 -0.00 -2.29 119.30 117.87 3i3c s MET 39 Ca 0.77 -0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 53.81 3i3c s MET 39 Cb -0.89 -1.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.88 3i3c s MET 39 CO 0.50 0.25 -0.06 -0.06 -0.01 0.00 0.00 175.02 175.63 3i3c s PHE 40 N -1.07 2.95 -0.41 -0.03 0.08 0.35 -2.07 117.98 117.77 3i3c s PHE 40 Ca 0.02 -0.13 -0.27 0.00 0.12 0.00 0.00 56.93 56.67 3i3c s PHE 40 Cb -0.09 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3i3c s PHE 40 CO 0.02 0.18 1.02 -1.17 -0.10 0.00 0.00 175.22 175.17 3i3c s LEU 41 N -0.36 3.87 -0.20 -0.37 2.96 0.46 -1.99 118.68 123.05 3i3c s LEU 41 Ca 0.05 0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 54.42 3i3c s LEU 41 Cb -0.12 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 3i3c s LEU 41 CO 0.02 -1.03 0.08 -0.32 -1.32 0.00 0.00 176.35 173.79 3i3c s MET 42 N 3.88 3.97 -0.03 1.98 -2.45 -0.71 -1.08 119.30 124.86 3i3c s MET 42 Ca 0.42 -0.34 -0.18 0.00 -1.25 0.00 0.00 55.69 54.35 3i3c s MET 42 Cb -0.10 -3.29 -0.05 0.00 1.25 0.00 0.00 34.83 32.64 3i3c s MET 42 CO 0.24 0.19 0.49 0.21 1.05 0.00 0.00 175.02 177.20 3i3c s LYS 43 N 0.61 4.18 0.19 4.11 2.20 -0.16 -1.05 119.74 129.82 3i3c s LYS 43 Ca 0.04 0.54 -0.06 0.00 -0.36 0.00 0.00 55.97 56.13 3i3c s LYS 43 Cb -0.13 -3.32 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 3i3c s LYS 43 CO 0.01 0.44 0.46 -1.58 -0.36 0.00 0.00 175.35 174.32 3i3c s TRP 44 N -0.34 3.45 0.21 4.03 0.52 -1.04 -0.38 118.94 125.40 3i3c s TRP 44 Ca 0.27 0.68 -0.32 0.00 0.02 0.00 0.00 56.10 56.74 3i3c s TRP 44 Cb -0.17 -2.11 -0.13 0.00 -1.15 0.00 0.00 33.47 29.92 3i3c s TRP 44 CO 0.14 0.35 1.59 0.36 0.02 0.00 0.00 176.95 179.41 3i3c n LYS 45 N -0.11 2.41 -0.21 4.98 -0.00 -0.41 -3.02 118.16 121.79 3i3c n LYS 45 Ca -0.01 0.86 0.00 0.00 -0.00 0.00 0.00 58.31 59.16 3i3c n LYS 45 Cb 0.52 -2.64 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 3.14 0.00 -4.28 -5.58 8.00 -1.26 -4.90 116.55 111.66 3i3c n ASP 46 Ca 0.14 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.34 3i3c n ASP 46 Cb 0.32 -1.24 -0.16 0.00 -0.02 0.00 0.00 41.12 40.02 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 -1.73 1.99 -1.43 -3.53 -1.32 -1.17 -5.03 115.64 103.43 3i3c s THR 47 Ca 0.00 -1.07 -0.12 0.00 -1.21 0.00 0.00 61.69 59.29 3i3c s THR 47 Cb 0.00 -1.66 0.06 0.00 -1.51 0.00 0.00 72.50 69.39 3i3c s THR 47 CO 0.00 0.56 2.20 0.47 -2.21 0.00 0.00 174.62 175.64 3i3c n ASP 48 N 2.61 4.57 -3.90 8.08 8.00 -1.26 -4.45 116.55 130.20 3i3c n ASP 48 Ca -0.16 -2.89 -0.10 0.00 0.71 0.00 0.00 54.79 52.34 3i3c n ASP 48 Cb 0.51 -1.60 -0.10 0.00 -0.02 0.00 0.00 41.12 39.91 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 2.36 0.46 0.00 -1.24 2.02 -1.26 -5.09 118.70 115.95 3i3c s GLU 49 Ca 0.47 -0.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.88 3i3c s GLU 49 Cb 0.13 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.55 3i3c s GLU 49 CO -0.07 -0.11 0.15 0.00 0.02 0.00 0.00 175.26 175.26 3i3c s ALA 50 N -1.58 -0.36 0.03 5.21 0.00 -1.26 -2.49 121.76 121.31 3i3c s ALA 50 Ca -0.14 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 3i3c s ALA 50 Cb -0.07 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3i3c s ALA 50 CO 0.00 -0.21 0.30 -0.51 0.00 0.00 0.00 175.76 175.34 3i3c s ASP 51 N -1.38 -0.13 0.29 0.00 1.01 -0.22 -4.92 116.67 111.32 3i3c s ASP 51 Ca -0.15 -0.15 -0.29 0.00 0.71 0.00 0.00 52.55 52.68 3i3c s ASP 51 Cb -0.07 0.34 -0.10 0.00 1.01 0.00 0.00 42.92 44.10 3i3c s ASP 51 CO 0.02 -0.58 1.28 -0.76 0.21 0.00 0.00 175.17 175.33 3i3c s LEU 52 N -1.92 4.45 0.02 1.23 1.43 -1.26 -1.74 118.68 120.89 3i3c s LEU 52 Ca -0.07 2.56 -0.03 0.00 -1.03 0.00 0.00 54.13 55.57 3i3c s LEU 52 Cb -0.02 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 3i3c s LEU 52 CO -0.02 -0.47 0.03 0.68 0.23 0.00 0.00 176.35 176.80 3i3c s VAL 53 N -0.87 0.12 0.11 -1.59 -7.23 -0.84 -0.88 120.40 109.23 3i3c s VAL 53 Ca 0.50 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 3i3c s VAL 53 Cb -0.38 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 3i3c s VAL 53 CO 0.48 -0.53 0.95 -0.76 -0.31 0.00 0.00 175.10 174.92 3i3c s LEU 54 N -1.68 4.51 0.27 1.32 1.43 -1.26 -0.50 118.68 122.77 3i3c s LEU 54 Ca -0.12 1.78 -0.04 0.00 -1.03 0.00 0.00 54.13 54.73 3i3c s LEU 54 Cb -0.06 -3.57 0.36 0.00 0.03 0.00 0.00 46.19 42.95 3i3c s LEU 54 CO -0.02 -0.05 1.92 0.00 0.23 0.00 0.00 176.35 178.44 3i3c h ALA 55 N 5.50 1.36 -0.52 4.21 0.00 -1.79 -0.24 119.26 127.77 3i3c h ALA 55 Ca -0.43 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.53 3i3c h ALA 55 Cb 1.21 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 3i3c h ALA 55 CO 0.71 0.55 0.06 -0.22 0.00 0.00 0.00 179.25 180.35 3i3c h LYS 56 N 1.24 0.18 -0.30 0.00 3.64 -1.93 0.56 116.57 119.96 3i3c h LYS 56 Ca 0.38 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3i3c h LYS 56 Cb -0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3i3c h LYS 56 CO -0.11 0.12 -0.10 1.49 -2.27 0.00 0.00 179.45 178.58 3i3c h GLU 57 N 0.18 0.60 0.00 1.90 4.81 -1.78 -3.17 114.58 117.12 3i3c h GLU 57 Ca 0.27 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3i3c h GLU 57 Cb 0.39 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3i3c h GLU 57 CO -0.39 0.80 -0.23 0.00 -0.73 0.00 0.00 179.01 178.46 3i3c h ALA 58 N 0.78 1.44 -0.67 2.92 0.00 -0.51 -1.06 119.26 122.16 3i3c h ALA 58 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i3c h ALA 58 Cb 0.60 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3i3c h ALA 58 CO 0.03 0.29 0.43 -0.91 0.00 0.00 0.00 179.25 179.09 3i3c h ASN 59 N 0.00 0.71 0.10 0.00 2.35 -0.87 0.10 115.58 117.97 3i3c h ASN 59 Ca -0.00 -0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 55.46 3i3c h ASN 59 Cb 0.46 -0.16 0.03 0.00 0.05 0.00 0.00 38.32 38.69 3i3c h ASN 59 CO 0.03 0.50 -1.17 0.58 -1.65 0.00 0.00 177.43 175.71 3i3c h VAL 60 N 0.85 1.29 0.17 2.81 2.07 -1.53 -3.19 116.25 118.72 3i3c h VAL 60 Ca 0.26 -2.41 -0.31 0.00 0.82 0.00 0.00 66.70 65.06 3i3c h VAL 60 Cb -0.01 2.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3i3c h VAL 60 CO -0.09 0.73 -1.46 0.50 0.02 0.00 0.00 177.57 177.27 3i3c h LYS 61 N 0.25 0.35 -2.20 1.57 3.64 -0.94 -3.41 116.57 115.84 3i3c h LYS 61 Ca -0.17 -0.60 -0.52 0.00 -1.27 0.00 0.00 60.65 58.08 3i3c h LYS 61 Cb 1.85 0.22 -0.35 0.00 -0.41 0.00 0.00 32.23 33.54 3i3c h LYS 61 CO 0.23 1.26 -0.89 0.00 -2.27 0.00 0.00 179.45 177.78 3i3c h PRO 63 N 5.82 0.81 -0.82 0.00 0.13 -1.62 -2.81 132.00 133.51 3i3c h PRO 63 Ca 0.21 -0.53 0.01 0.00 -0.87 0.00 0.00 66.00 64.81 3i3c h PRO 63 Cb 0.95 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 3i3c h PRO 63 CO 0.30 1.16 0.54 1.96 -0.23 0.00 0.00 178.00 181.73 3i3c h GLN 64 N 0.62 1.09 -0.30 0.86 1.08 -1.91 -0.32 115.11 116.21 3i3c h GLN 64 Ca 0.01 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 3i3c h GLN 64 Cb 1.17 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 3i3c h GLN 64 CO 0.12 0.73 -0.16 0.82 -0.95 0.00 0.00 178.83 179.39 3i3c h ILE 65 N 1.12 1.24 0.08 2.54 2.04 -1.91 -1.17 117.51 121.45 3i3c h ILE 65 Ca 0.30 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 3i3c h ILE 65 Cb -0.12 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3i3c h ILE 65 CO -0.06 0.36 -0.04 0.58 0.00 0.00 0.00 178.15 178.99 3i3c h VAL 66 N 0.49 1.16 -0.40 1.67 2.07 -1.07 -2.68 116.25 117.48 3i3c h VAL 66 Ca 0.08 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.70 3i3c h VAL 66 Cb 0.56 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3i3c h VAL 66 CO 0.04 0.24 0.28 0.40 0.02 0.00 0.00 177.57 178.54 3i3c h ILE 67 N -0.57 0.91 0.00 4.57 2.04 -0.97 -1.17 117.51 122.32 3i3c h ILE 67 Ca -0.01 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 3i3c h ILE 67 Cb 0.47 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3i3c h ILE 67 CO 0.02 0.04 -0.32 0.00 0.00 0.00 0.00 178.15 177.89 3i3c h ALA 68 N 1.79 0.91 0.00 1.87 0.00 -1.10 -2.00 119.26 120.73 3i3c h ALA 68 Ca 0.18 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3i3c h ALA 68 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3i3c h ALA 68 CO -0.03 0.40 -0.71 0.35 0.00 0.00 0.00 179.25 179.26 3i3c h PHE 69 N 0.00 0.71 0.00 0.00 3.57 -0.89 -3.03 116.94 117.30 3i3c h PHE 69 Ca -0.00 -0.39 -0.06 0.00 3.53 0.00 0.00 57.97 61.05 3i3c h PHE 69 Cb 0.98 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3i3c h PHE 69 CO 0.00 1.22 -0.28 1.88 -2.23 0.00 0.00 178.31 178.89 3i3c h TYR 70 N 0.00 0.00 0.00 0.41 0.05 -1.39 -2.66 116.97 113.38 3i3c h TYR 70 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3i3c h TYR 70 Cb 1.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.16 3i3c h TYR 70 CO 0.14 0.28 0.00 0.39 -1.05 0.00 0.00 178.16 177.92 3i3c n GLU 71 N -4.09 0.11 -3.23 4.88 1.02 -0.76 -4.12 120.64 114.45 3i3c n GLU 71 Ca -0.02 0.29 -0.45 0.00 -0.02 0.00 0.00 57.16 56.96 3i3c n GLU 71 Cb 0.34 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 3i3c n GLU 71 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i3c s GLU 72 N -3.14 3.02 0.00 3.49 0.41 -1.00 -5.07 118.70 116.40 3i3c s GLU 72 Ca 0.07 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 3i3c s GLU 72 Cb 0.11 -4.24 0.00 0.00 -1.78 0.00 0.00 34.13 28.21 3i3c s GLU 72 CO 0.37 -1.36 0.00 0.54 -0.49 0.00 0.00 175.26 174.33