#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic3 n GLY 3 N 0.00 3.82 3.73 3.38 0.00 -1.26 -5.11 105.19 109.74 3ic3 n GLY 3 Ca 0.00 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 3ic3 n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ic3 n PRO 4 N -0.67 1.94 -2.68 1.61 -0.02 -1.26 -4.92 135.00 128.99 3ic3 n PRO 4 Ca -0.10 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3ic3 n PRO 4 Cb 0.35 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3ic3 n PRO 4 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ic3 s LYS 5 N -2.48 3.34 0.43 -0.52 3.01 -1.26 -5.01 119.74 117.25 3ic3 s LYS 5 Ca 0.64 -0.84 -0.07 0.00 -1.01 0.00 0.00 55.97 54.69 3ic3 s LYS 5 Cb -0.46 -4.61 -0.05 0.00 -1.01 0.00 0.00 37.83 31.70 3ic3 s LYS 5 CO 0.55 -2.03 0.74 -0.65 0.51 0.00 0.00 175.35 174.48 3ic3 s GLN 6 N 4.67 3.63 0.11 1.68 -0.21 -1.26 -5.08 119.66 123.21 3ic3 s GLN 6 Ca 0.34 0.25 -0.19 0.00 0.02 0.00 0.00 55.36 55.78 3ic3 s GLN 6 Cb -0.08 -2.42 -0.07 0.00 1.00 0.00 0.00 33.01 31.44 3ic3 s GLN 6 CO 0.04 -0.09 0.60 -0.65 -2.12 0.00 0.00 175.29 173.07 3ic3 s GLN 7 N -4.28 4.20 0.85 2.91 -1.52 -1.26 -5.10 119.66 115.46 3ic3 s GLN 7 Ca 0.48 0.74 -0.12 0.00 -1.95 0.00 0.00 55.36 54.51 3ic3 s GLN 7 Cb -0.10 -3.14 0.10 0.00 -0.22 0.00 0.00 33.01 29.65 3ic3 s GLN 7 CO 0.38 0.57 1.14 -1.25 -0.25 0.00 0.00 175.29 175.89 3ic3 s PRO 8 N -1.38 1.62 0.28 2.91 0.04 -1.26 -5.01 135.00 132.19 3ic3 s PRO 8 Ca 0.33 0.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 3ic3 s PRO 8 Cb -0.19 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3ic3 s PRO 8 CO 0.20 -1.87 1.33 -0.51 0.04 0.00 0.00 177.00 176.19 3ic3 s LEU 9 N -5.82 4.42 0.42 -3.56 1.43 -1.26 -4.99 118.68 109.32 3ic3 s LEU 9 Ca 0.63 2.59 -0.24 0.00 -1.03 0.00 0.00 54.13 56.07 3ic3 s LEU 9 Cb -0.13 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.35 3ic3 s LEU 9 CO 0.52 -0.55 1.02 -2.65 0.23 0.00 0.00 176.35 174.92 3ic3 n PRO 10 N 1.65 1.37 0.01 1.29 -0.02 -1.26 -4.90 135.00 133.14 3ic3 n PRO 10 Ca 0.03 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3ic3 n PRO 10 Cb 0.42 -2.05 0.57 0.00 -0.02 0.00 0.00 33.50 32.41 3ic3 n PRO 10 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ic3 h PRO 11 N 1.57 0.24 0.00 0.52 0.11 -1.97 -2.04 132.00 130.44 3ic3 h PRO 11 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ic3 h PRO 11 Cb 1.34 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3ic3 h PRO 11 CO 0.57 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3ic3 n ASP 12 N -4.46 0.28 -0.00 -2.05 5.75 -1.26 -2.84 116.55 111.97 3ic3 n ASP 12 Ca 0.07 0.56 0.09 0.00 -0.01 0.00 0.00 54.79 55.50 3ic3 n ASP 12 Cb 0.35 -0.62 -0.13 0.00 -1.03 0.00 0.00 41.12 39.69 3ic3 n ASP 12 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3ic3 n VAL 13 N -1.80 0.00 -1.67 2.12 0.24 -0.78 -4.83 118.33 111.62 3ic3 n VAL 13 Ca 0.04 -0.23 -0.46 0.00 -2.04 0.00 0.00 64.34 61.65 3ic3 n VAL 13 Cb 0.23 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 3ic3 n VAL 13 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ic3 n GLU 14 N -1.77 2.12 -0.89 7.34 1.02 -1.13 -1.46 120.64 125.87 3ic3 n GLU 14 Ca 0.00 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3ic3 n GLU 14 Cb 0.39 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 3ic3 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ic3 n GLY 15 N 3.26 0.67 3.39 0.62 0.00 -1.26 -4.96 105.19 106.92 3ic3 n GLY 15 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 3ic3 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ic3 s ARG 16 N -0.31 3.24 0.58 1.61 1.81 -0.54 -4.88 118.95 120.45 3ic3 s ARG 16 Ca 0.00 -1.52 0.35 0.00 -1.72 0.00 0.00 55.73 52.84 3ic3 s ARG 16 Cb 0.00 -4.42 1.70 0.00 -0.45 0.00 0.00 34.95 31.79 3ic3 s ARG 16 CO 0.00 -1.58 2.12 0.93 -0.68 0.00 0.00 175.30 176.09 3ic3 h GLU 17 N 8.96 0.00 0.00 3.54 5.08 -1.93 -1.55 114.58 128.68 3ic3 h GLU 17 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3ic3 h GLU 17 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3ic3 h GLU 17 CO 1.06 0.04 -0.44 -0.40 -1.00 0.00 0.00 179.01 178.27 3ic3 n ASP 18 N -3.23 0.60 -4.76 1.42 5.75 -1.26 -4.87 116.55 110.20 3ic3 n ASP 18 Ca -0.01 0.15 -0.40 0.00 -0.01 0.00 0.00 54.79 54.52 3ic3 n ASP 18 Cb 0.22 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 3ic3 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ic3 s ALA 19 N -3.10 3.36 -0.09 2.12 0.00 -0.59 -5.04 121.76 118.42 3ic3 s ALA 19 Ca 0.09 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.07 3ic3 s ALA 19 Cb 0.15 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.90 3ic3 s ALA 19 CO 0.68 -0.37 -0.16 0.42 0.00 0.00 0.00 175.76 176.33 3ic3 s ILE 20 N -1.23 1.49 -0.26 0.00 1.01 -1.26 -5.03 121.20 115.91 3ic3 s ILE 20 Ca 0.49 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 3ic3 s ILE 20 Cb -0.33 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3ic3 s ILE 20 CO 0.43 0.44 1.20 -0.70 0.00 0.00 0.00 174.94 176.31 3ic3 s GLU 21 N 0.69 4.09 -0.03 2.79 2.12 -1.26 -4.91 118.70 122.19 3ic3 s GLU 21 Ca -0.13 1.34 -0.24 0.00 0.36 0.00 0.00 54.97 56.29 3ic3 s GLU 21 Cb -0.16 -3.78 -0.20 0.00 0.26 0.00 0.00 34.13 30.24 3ic3 s GLU 21 CO 0.03 -0.89 1.17 0.28 -0.54 0.00 0.00 175.26 175.31 3ic3 h VAL 22 N 5.71 1.46 -2.76 3.70 2.07 -1.98 -3.48 116.25 120.96 3ic3 h VAL 22 Ca -0.24 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 65.75 3ic3 h VAL 22 Cb 1.09 2.40 -0.13 0.00 -1.52 0.00 0.00 31.29 33.12 3ic3 h VAL 22 CO 1.01 0.42 0.30 -1.48 0.02 0.00 0.00 177.57 177.84 3ic3 s LEU 23 N -8.87 -0.51 -0.04 2.57 0.05 -1.26 -4.46 118.68 106.15 3ic3 s LEU 23 Ca -0.16 0.01 0.03 0.00 0.05 0.00 0.00 54.13 54.06 3ic3 s LEU 23 Cb 0.02 2.42 0.01 0.00 -2.05 0.00 0.00 46.19 46.59 3ic3 s LEU 23 CO 0.72 -0.86 -0.11 -0.13 -0.55 0.00 0.00 176.35 175.42 3ic3 s ARG 24 N -3.51 1.30 -0.05 1.48 0.52 -0.61 -5.00 118.95 113.08 3ic3 s ARG 24 Ca 0.02 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3ic3 s ARG 24 Cb -0.01 -1.15 -0.00 0.00 0.52 0.00 0.00 34.95 34.31 3ic3 s ARG 24 CO -0.11 0.08 -0.18 0.00 0.02 0.00 0.00 175.30 175.11 3ic3 s ALA 25 N 0.41 1.59 -0.04 2.13 0.00 -1.26 -0.91 121.76 123.68 3ic3 s ALA 25 Ca -0.08 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.24 3ic3 s ALA 25 Cb -0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3ic3 s ALA 25 CO 0.02 0.27 -0.22 -0.06 0.00 0.00 0.00 175.76 175.76 3ic3 s PHE 26 N 0.12 2.47 -0.11 0.00 0.40 -0.13 -4.98 117.98 115.75 3ic3 s PHE 26 Ca -0.06 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.68 3ic3 s PHE 26 Cb -0.13 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 3ic3 s PHE 26 CO 0.03 -0.01 0.47 0.54 0.70 0.00 0.00 175.22 176.95 3ic3 s VAL 27 N -0.55 5.18 -0.25 -0.44 0.11 -1.26 -0.75 120.40 122.43 3ic3 s VAL 27 Ca 0.08 0.94 -0.17 0.00 -2.93 0.00 0.00 61.98 59.90 3ic3 s VAL 27 Cb -0.11 -3.81 0.07 0.00 -1.53 0.00 0.00 36.38 31.00 3ic3 s VAL 27 CO 0.00 0.34 0.63 -0.22 -3.33 0.00 0.00 175.10 172.53 3ic3 s LEU 28 N 0.51 -0.64 -1.44 2.54 2.96 -0.61 -4.95 118.68 117.05 3ic3 s LEU 28 Ca 0.26 1.34 -0.09 0.00 -0.22 0.00 0.00 54.13 55.42 3ic3 s LEU 28 Cb -0.15 2.16 0.05 0.00 0.50 0.00 0.00 46.19 48.76 3ic3 s LEU 28 CO 0.10 -0.23 0.69 0.47 -1.32 0.00 0.00 176.35 176.07 3ic3 n ASP 29 N 3.74 -4.86 0.00 3.68 8.00 -1.26 -0.86 116.55 124.99 3ic3 n ASP 29 Ca -0.18 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3ic3 n ASP 29 Cb 0.57 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 3ic3 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ic3 n GLY 30 N -1.46 0.20 0.00 0.44 0.00 -1.26 -4.97 105.19 98.15 3ic3 n GLY 30 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3ic3 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic3 n GLY 31 N -0.63 5.29 2.94 -0.02 0.00 -0.04 -5.16 105.19 107.58 3ic3 n GLY 31 Ca 0.00 -1.89 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 3ic3 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ic3 s LEU 32 N 0.00 1.36 -0.25 0.99 1.43 -1.26 -1.57 118.68 119.38 3ic3 s LEU 32 Ca 0.00 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3ic3 s LEU 32 Cb 0.00 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 3ic3 s LEU 32 CO 0.00 -0.05 0.03 -0.55 0.23 0.00 0.00 176.35 176.01 3ic3 s SER 33 N 1.17 4.79 -0.10 2.29 0.15 0.07 -4.95 113.70 117.12 3ic3 s SER 33 Ca -0.06 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.15 3ic3 s SER 33 Cb -0.14 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 3ic3 s SER 33 CO -0.02 -0.09 -0.23 -0.63 1.20 0.00 0.00 173.24 173.47 3ic3 s ILE 34 N 1.51 2.00 -0.26 6.45 1.01 -1.26 -0.95 121.20 129.69 3ic3 s ILE 34 Ca 0.04 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 3ic3 s ILE 34 Cb -0.16 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3ic3 s ILE 34 CO 0.00 0.55 0.29 0.00 0.00 0.00 0.00 174.94 175.77 3ic3 s ALA 35 N 0.38 3.56 0.00 9.38 0.00 -0.09 -4.98 121.76 130.01 3ic3 s ALA 35 Ca -0.18 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3ic3 s ALA 35 Cb -0.18 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.37 3ic3 s ALA 35 CO 0.08 -0.53 0.00 1.19 0.00 0.00 0.00 175.76 176.50 3ic3 n PHE 36 N 5.04 0.00 -0.04 0.00 3.72 -1.26 -1.58 117.46 123.34 3ic3 n PHE 36 Ca -0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.24 3ic3 n PHE 36 Cb 0.51 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 3ic3 n PHE 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ic3 n ARG 38 N 0.00 1.08 -2.82 -1.08 3.00 -1.26 -4.98 116.66 110.59 3ic3 n ARG 38 Ca 0.00 0.03 -0.33 0.00 -0.01 0.00 0.00 57.85 57.54 3ic3 n ARG 38 Cb 0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 32.46 31.22 3ic3 n ARG 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ic3 s ALA 39 N -2.17 3.05 0.40 7.54 0.00 -1.26 -5.25 121.76 124.06 3ic3 s ALA 39 Ca -0.09 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3ic3 s ALA 39 Cb 0.03 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3ic3 s ALA 39 CO 0.22 0.13 0.00 0.34 0.00 0.00 0.00 175.76 176.46 3ic3 n PHE 40 N -0.62 0.00 -1.55 0.00 7.35 -1.26 -5.15 117.46 116.23 3ic3 n PHE 40 Ca 0.07 0.00 -0.59 0.00 -0.76 0.00 0.00 57.45 56.17 3ic3 n PHE 40 Cb 0.54 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.29 3ic3 n PHE 40 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3ic3 n ASP 42 N 0.00 0.43 0.18 -2.13 -0.08 -1.26 -5.17 116.55 108.53 3ic3 n ASP 42 Ca 0.00 1.16 0.04 0.00 -1.51 0.00 0.00 54.79 54.48 3ic3 n ASP 42 Cb 0.00 -0.95 0.47 0.00 2.34 0.00 0.00 41.12 42.97 3ic3 n ASP 42 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ic3 h PRO 43 N 3.59 0.10 -1.94 -0.67 0.13 -2.06 -3.33 132.00 127.81 3ic3 h PRO 43 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3ic3 h PRO 43 Cb 1.41 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3ic3 h PRO 43 CO 0.72 0.25 0.00 -1.91 -0.23 0.00 0.00 178.00 176.83 3ic3 n GLU 44 N -4.32 0.12 0.00 0.86 4.07 -1.26 -1.96 120.64 118.15 3ic3 n GLU 44 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 3ic3 n GLU 44 Cb 0.24 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 3ic3 n GLU 44 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 3ic3 n TRP 46 N 1.49 0.00 -0.08 4.31 7.02 -1.25 -0.89 117.44 128.04 3ic3 n TRP 46 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 3ic3 n TRP 46 Cb 0.06 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 28.95 3ic3 n TRP 46 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3ic3 h GLY 47 N 0.00 0.31 0.96 6.99 0.00 -1.75 -1.39 103.07 108.19 3ic3 h GLY 47 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3ic3 h GLY 47 CO 0.00 -0.03 0.15 -2.00 0.00 0.00 0.00 176.54 174.66 3ic3 h LEU 48 N 0.14 0.65 -0.70 3.11 5.85 -1.30 -1.53 115.31 121.52 3ic3 h LEU 48 Ca 0.14 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3ic3 h LEU 48 Cb 0.16 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3ic3 h LEU 48 CO -0.20 0.68 0.41 0.25 -0.34 0.00 0.00 178.44 179.24 3ic3 h LEU 49 N 0.59 0.63 -0.62 2.25 5.85 -1.78 -0.04 115.31 122.19 3ic3 h LEU 49 Ca 0.15 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3ic3 h LEU 49 Cb 0.25 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3ic3 h LEU 49 CO -0.01 0.41 0.35 -0.07 -0.34 0.00 0.00 178.44 178.79 3ic3 h LEU 50 N 0.76 0.77 -0.33 2.25 3.38 -0.94 -1.09 115.31 120.10 3ic3 h LEU 50 Ca 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3ic3 h LEU 50 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ic3 h LEU 50 CO -0.17 0.63 0.17 0.58 0.09 0.00 0.00 178.44 179.74 3ic3 h VAL 51 N 0.85 1.15 -0.62 1.22 2.07 -0.78 -0.75 116.25 119.38 3ic3 h VAL 51 Ca 0.22 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3ic3 h VAL 51 Cb 0.02 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3ic3 h VAL 51 CO -0.04 0.16 0.41 0.44 0.02 0.00 0.00 177.57 178.56 3ic3 h ASP 52 N 0.40 0.72 -0.35 0.57 3.32 -0.70 -0.74 116.42 119.65 3ic3 h ASP 52 Ca 0.11 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3ic3 h ASP 52 Cb 0.10 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3ic3 h ASP 52 CO -0.02 0.53 0.14 0.40 -1.72 0.00 0.00 179.24 178.58 3ic3 h ILE 53 N 0.84 1.18 -0.72 0.35 2.04 -1.10 -1.20 117.51 118.91 3ic3 h ILE 53 Ca 0.23 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3ic3 h ILE 53 Cb -0.08 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3ic3 h ILE 53 CO -0.05 0.20 0.41 0.00 0.00 0.00 0.00 178.15 178.72 3ic3 h ALA 54 N 0.99 0.92 -0.20 1.87 0.00 -0.72 0.16 119.26 122.28 3ic3 h ALA 54 Ca 0.12 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3ic3 h ALA 54 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ic3 h ALA 54 CO -0.01 0.42 -0.55 0.00 0.00 0.00 0.00 179.25 179.11 3ic3 h ARG 55 N 0.99 0.61 -0.29 0.00 3.08 -1.07 -0.87 114.38 116.83 3ic3 h ARG 55 Ca 0.26 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3ic3 h ARG 55 Cb 0.01 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3ic3 h ARG 55 CO -0.04 1.00 0.13 1.25 -1.07 0.00 0.00 179.97 181.23 3ic3 h HIS 56 N 0.47 0.42 -0.93 3.04 2.76 -0.93 -2.08 115.15 117.91 3ic3 h HIS 56 Ca 0.01 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 3ic3 h HIS 56 Cb 1.10 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.87 3ic3 h HIS 56 CO 0.05 0.40 0.58 0.00 -1.30 0.00 0.00 177.93 177.66 3ic3 h ALA 57 N 0.98 1.30 -0.40 5.26 0.00 -0.51 -1.35 119.26 124.54 3ic3 h ALA 57 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ic3 h ALA 57 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ic3 h ALA 57 CO -0.01 0.31 0.11 0.00 0.00 0.00 0.00 179.25 179.66 3ic3 h ALA 58 N 1.44 0.52 -0.55 0.00 0.00 -0.97 0.16 119.26 119.87 3ic3 h ALA 58 Ca 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ic3 h ALA 58 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ic3 h ALA 58 CO -0.19 0.19 0.22 0.00 0.00 0.00 0.00 179.25 179.47 3ic3 h ARG 59 N 0.50 0.82 -0.53 0.00 3.08 -1.00 -1.21 114.38 116.03 3ic3 h ARG 59 Ca 0.13 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3ic3 h ARG 59 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ic3 h ARG 59 CO -0.00 0.71 -0.12 0.77 -1.07 0.00 0.00 179.97 180.26 3ic3 h SER 60 N 0.75 1.01 -0.45 7.04 0.02 -1.03 -2.56 113.55 118.33 3ic3 h SER 60 Ca 0.18 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3ic3 h SER 60 Cb 0.20 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3ic3 h SER 60 CO -0.01 1.12 0.12 0.22 -1.14 0.00 0.00 176.83 177.14 3ic3 h TYR 61 N 0.89 0.73 -0.68 3.45 3.20 -0.51 -2.56 116.97 121.50 3ic3 h TYR 61 Ca 0.14 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3ic3 h TYR 61 Cb 0.68 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3ic3 h TYR 61 CO 0.04 0.67 0.45 0.00 -1.64 0.00 0.00 178.16 177.69 3ic3 h ALA 62 N 0.98 1.52 0.00 1.82 0.00 -1.14 -0.97 119.26 121.48 3ic3 h ALA 62 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ic3 h ALA 62 Cb 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ic3 h ALA 62 CO -0.00 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3ic3 h ARG 63 N 0.92 0.00 0.00 0.00 3.08 -1.04 -3.14 114.38 114.20 3ic3 h ARG 63 Ca 0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3ic3 h ARG 63 Cb -0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3ic3 h ARG 63 CO -0.06 0.00 -0.04 0.39 -1.07 0.00 0.00 179.97 179.19 3ic3 n GLU 64 N -3.01 1.23 -3.96 0.04 -0.58 -0.43 -5.06 120.64 108.87 3ic3 n GLU 64 Ca -0.01 -2.53 -0.11 0.00 -0.42 0.00 0.00 57.16 54.08 3ic3 n GLU 64 Cb 0.20 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 3ic3 n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3ic3 s SER 65 N -2.81 0.40 0.00 1.62 1.04 -0.85 -5.03 113.70 108.07 3ic3 s SER 65 Ca 0.31 -1.25 0.26 0.00 0.48 0.00 0.00 55.95 55.74 3ic3 s SER 65 Cb 0.27 0.73 1.28 0.00 0.10 0.00 0.00 66.02 68.40 3ic3 s SER 65 CO 0.02 -1.43 1.86 -1.84 0.98 0.00 0.00 173.24 172.83 3ic3 n GLU 66 N -0.52 0.35 -2.98 4.02 0.28 -1.26 -4.85 120.64 115.67 3ic3 n GLU 66 Ca -0.03 0.05 -0.36 0.00 -0.16 0.00 0.00 57.16 56.66 3ic3 n GLU 66 Cb 0.61 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.92 3ic3 n GLU 66 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3ic3 s TYR 67 N -2.58 3.62 0.86 -1.84 2.02 -1.26 -5.07 117.35 113.10 3ic3 s TYR 67 Ca 0.24 1.52 -0.12 0.00 -0.37 0.00 0.00 57.07 58.34 3ic3 s TYR 67 Cb 0.17 -2.73 0.11 0.00 -0.40 0.00 0.00 41.96 39.11 3ic3 s TYR 67 CO 0.39 0.25 1.10 0.95 -1.57 0.00 0.00 175.55 176.68 3ic3 s THR 68 N -1.62 2.68 0.22 -0.71 -4.23 -1.26 -4.38 115.64 106.34 3ic3 s THR 68 Ca 0.47 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 61.12 3ic3 s THR 68 Cb -0.16 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 70.98 3ic3 s THR 68 CO 0.21 -0.29 1.87 -0.08 -0.54 0.00 0.00 174.62 175.80 3ic3 h GLU 69 N -1.36 1.00 -0.47 3.99 4.81 -1.92 0.87 114.58 121.51 3ic3 h GLU 69 Ca -0.49 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3ic3 h GLU 69 Cb 1.29 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3ic3 h GLU 69 CO 0.58 0.66 0.27 -0.44 -0.73 0.00 0.00 179.01 179.36 3ic3 h ASP 70 N 1.03 0.57 -0.51 1.04 3.32 -1.93 0.33 116.42 120.27 3ic3 h ASP 70 Ca 0.31 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3ic3 h ASP 70 Cb -0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3ic3 h ASP 70 CO -0.10 0.47 0.19 -0.33 -1.72 0.00 0.00 179.24 177.76 3ic3 h GLU 71 N 0.62 0.77 -0.53 3.56 5.08 -1.85 -2.30 114.58 119.93 3ic3 h GLU 71 Ca 0.17 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ic3 h GLU 71 Cb 0.02 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3ic3 h GLU 71 CO -0.03 0.69 0.32 0.00 -1.00 0.00 0.00 179.01 178.99 3ic3 h ALA 72 N 1.04 0.68 -0.42 3.43 0.00 -0.63 -1.84 119.26 121.52 3ic3 h ALA 72 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ic3 h ALA 72 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ic3 h ALA 72 CO -0.01 0.17 0.28 1.25 0.00 0.00 0.00 179.25 180.93 3ic3 h LEU 73 N 0.72 0.49 -0.68 0.00 5.85 -0.84 -0.49 115.31 120.36 3ic3 h LEU 73 Ca 0.19 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3ic3 h LEU 73 Cb -0.01 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3ic3 h LEU 73 CO -0.04 0.36 0.38 -0.08 -0.34 0.00 0.00 178.44 178.72 3ic3 h GLU 74 N 0.57 0.67 -0.41 1.25 4.81 -1.13 -0.59 114.58 119.75 3ic3 h GLU 74 Ca 0.15 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3ic3 h GLU 74 Cb -0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3ic3 h GLU 74 CO -0.03 0.44 0.10 0.00 -0.73 0.00 0.00 179.01 178.79 3ic3 h ARG 75 N 0.69 0.65 -0.24 1.92 3.08 -0.88 -0.95 114.38 118.64 3ic3 h ARG 75 Ca 0.30 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3ic3 h ARG 75 Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3ic3 h ARG 75 CO -0.19 0.67 0.05 0.82 -1.07 0.00 0.00 179.97 180.25 3ic3 h ILE 76 N 0.52 1.22 -0.61 2.04 2.04 -0.79 -3.09 117.51 118.85 3ic3 h ILE 76 Ca 0.13 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3ic3 h ILE 76 Cb 0.31 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3ic3 h ILE 76 CO 0.00 0.24 0.14 0.58 0.00 0.00 0.00 178.15 179.10 3ic3 h VAL 77 N 0.21 1.25 0.00 1.67 2.07 -1.05 -0.91 116.25 119.49 3ic3 h VAL 77 Ca 0.07 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3ic3 h VAL 77 Cb 0.31 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3ic3 h VAL 77 CO 0.00 0.35 0.00 1.21 0.02 0.00 0.00 177.57 179.15 3ic3 n GLU 78 N -4.33 0.00 0.00 1.57 0.00 -0.37 -1.08 120.64 116.43 3ic3 n GLU 78 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 3ic3 n GLU 78 Cb 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 31.44 30.68 3ic3 n GLU 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3ic3 n PHE 80 N 0.52 0.00 -0.13 4.31 7.35 -0.35 -0.87 117.46 128.29 3ic3 n PHE 80 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 3ic3 n PHE 80 Cb 0.00 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.89 3ic3 n PHE 80 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3ic3 h GLU 81 N 0.00 0.89 -0.60 -4.13 5.08 -1.37 -1.81 114.58 112.64 3ic3 h GLU 81 Ca 0.00 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3ic3 h GLU 81 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3ic3 h GLU 81 CO 0.00 0.99 0.39 0.00 -1.00 0.00 0.00 179.01 179.38 3ic3 h ALA 82 N 1.02 0.77 -0.54 3.43 0.00 -1.23 -0.86 119.26 121.85 3ic3 h ALA 82 Ca 0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3ic3 h ALA 82 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ic3 h ALA 82 CO 0.05 0.16 0.02 1.49 0.00 0.00 0.00 179.25 180.97 3ic3 h GLU 83 N 0.77 0.95 -0.47 0.00 4.57 -1.73 -1.93 114.58 116.75 3ic3 h GLU 83 Ca 0.23 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3ic3 h GLU 83 Cb -0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3ic3 h GLU 83 CO -0.07 0.95 0.20 -0.07 -1.18 0.00 0.00 179.01 178.83 3ic3 h LEU 84 N 0.83 0.60 0.00 1.64 3.38 -1.04 -2.30 115.31 118.42 3ic3 h LEU 84 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ic3 h LEU 84 Cb 0.51 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ic3 h LEU 84 CO 0.02 0.54 -0.19 -1.54 0.09 0.00 0.00 178.44 177.36 3ic3 n SER 85 N -4.36 0.49 0.00 -0.43 3.41 -0.35 -5.10 113.62 107.27 3ic3 n SER 85 Ca 0.04 0.35 0.09 0.00 -0.26 0.00 0.00 58.87 59.09 3ic3 n SER 85 Cb 0.15 -0.37 0.56 0.00 -0.26 0.00 0.00 64.21 64.28 3ic3 n SER 85 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42