#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia1 s LYS 20 N 0.00 4.61 0.81 7.34 1.02 -1.26 -5.00 119.74 127.27 3ia1 s LYS 20 Ca 0.00 1.77 -0.13 0.00 0.02 0.00 0.00 55.97 57.63 3ia1 s LYS 20 Cb 0.00 -3.15 0.08 0.00 -0.52 0.00 0.00 37.83 34.25 3ia1 s LYS 20 CO 0.00 0.20 1.19 -2.30 -0.92 0.00 0.00 175.35 173.51 3ia1 n PRO 21 N 1.11 0.16 0.00 -1.68 -0.02 -1.26 -4.91 135.00 128.40 3ia1 n PRO 21 Ca -0.01 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3ia1 n PRO 21 Cb 0.45 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3ia1 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ia1 n GLY 22 N 0.57 -1.71 2.91 -1.23 0.00 -1.26 -4.83 105.19 99.65 3ia1 n GLY 22 Ca 0.13 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 3ia1 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ia1 s GLU 23 N 0.00 0.18 0.70 1.61 0.41 -0.89 -4.91 118.70 115.80 3ia1 s GLU 23 Ca 0.00 -0.14 -0.16 0.00 -0.41 0.00 0.00 54.97 54.27 3ia1 s GLU 23 Cb 0.00 -0.13 0.02 0.00 -1.78 0.00 0.00 34.13 32.24 3ia1 s GLU 23 CO 0.00 0.03 1.22 -2.14 -0.49 0.00 0.00 175.26 173.88 3ia1 s PRO 24 N -0.21 2.29 0.39 0.39 0.02 -1.26 0.17 135.00 136.80 3ia1 s PRO 24 Ca -0.01 1.80 -0.26 0.00 0.02 0.00 0.00 61.00 62.56 3ia1 s PRO 24 Cb -0.02 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 3ia1 s PRO 24 CO -0.00 -1.73 1.19 -0.51 -0.33 0.00 0.00 177.00 175.63 3ia1 s LEU 25 N -4.92 4.22 0.54 -5.54 1.43 -1.20 -4.80 118.68 108.40 3ia1 s LEU 25 Ca 0.76 2.41 -0.19 0.00 -1.03 0.00 0.00 54.13 56.08 3ia1 s LEU 25 Cb -0.30 -3.97 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 3ia1 s LEU 25 CO 0.43 -0.68 1.08 -2.16 0.23 0.00 0.00 176.35 175.25 3ia1 s PRO 26 N -2.23 3.46 0.47 1.29 0.04 -1.26 -4.97 135.00 131.79 3ia1 s PRO 26 Ca 0.56 1.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 3ia1 s PRO 26 Cb -0.32 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 3ia1 s PRO 26 CO 0.41 -0.72 1.29 -3.47 0.04 0.00 0.00 177.00 174.54 3ia1 n ASP 27 N -1.43 2.53 -3.46 6.66 2.03 -1.26 -4.78 116.55 116.84 3ia1 n ASP 27 Ca 0.10 1.05 -0.11 0.00 0.52 0.00 0.00 54.79 56.35 3ia1 n ASP 27 Cb 0.52 -1.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.37 3ia1 n ASP 27 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3ia1 s PHE 28 N -1.25 -0.47 -0.14 -0.67 -0.12 -1.26 -5.02 117.98 109.05 3ia1 s PHE 28 Ca 0.65 0.36 -0.03 0.00 -0.05 0.00 0.00 56.93 57.85 3ia1 s PHE 28 Cb -0.47 0.54 0.05 0.00 -0.63 0.00 0.00 43.02 42.51 3ia1 s PHE 28 CO 0.55 -0.71 0.05 -1.17 -0.05 0.00 0.00 175.22 173.90 3ia1 s LEU 29 N -2.48 0.60 0.36 -1.99 0.20 -1.26 -4.23 118.68 109.88 3ia1 s LEU 29 Ca 0.01 -0.47 0.05 0.00 0.69 0.00 0.00 54.13 54.41 3ia1 s LEU 29 Cb -0.01 -0.37 -0.07 0.00 -0.43 0.00 0.00 46.19 45.32 3ia1 s LEU 29 CO -0.09 -0.29 0.04 -0.76 -0.29 0.00 0.00 176.35 174.95 3ia1 s LEU 30 N 2.03 2.45 -0.03 -0.68 1.43 -0.71 -4.04 118.68 119.13 3ia1 s LEU 30 Ca 0.02 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 51.77 3ia1 s LEU 30 Cb -0.15 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 3ia1 s LEU 30 CO -0.07 -0.55 -0.12 -0.76 0.23 0.00 0.00 176.35 175.07 3ia1 s LEU 31 N -3.58 2.86 0.00 1.79 1.43 0.07 -0.31 118.68 120.94 3ia1 s LEU 31 Ca 0.35 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 3ia1 s LEU 31 Cb 0.09 -1.61 0.23 0.00 0.03 0.00 0.00 46.19 44.93 3ia1 s LEU 31 CO 0.16 0.33 1.25 -0.90 0.23 0.00 0.00 176.35 177.42 3ia1 n ASP 32 N 2.09 -0.22 0.27 2.29 5.68 -0.49 -0.12 116.55 126.05 3ia1 n ASP 32 Ca -0.17 -1.42 0.13 0.00 -0.50 0.00 0.00 54.79 52.84 3ia1 n ASP 32 Cb 0.52 -0.98 0.79 0.00 -1.14 0.00 0.00 41.12 40.31 3ia1 n ASP 32 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3ia1 h PRO 33 N 0.00 0.00 -0.17 0.11 0.11 -1.90 -0.06 132.00 130.09 3ia1 h PRO 33 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3ia1 h PRO 33 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ia1 h PRO 33 CO 0.29 0.08 0.00 1.63 -0.21 0.00 0.00 178.00 179.79 3ia1 n LYS 34 N -3.69 1.59 -0.96 1.05 5.02 -1.26 -4.91 118.16 114.99 3ia1 n LYS 34 Ca -0.02 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 3ia1 n LYS 34 Cb 0.19 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3ia1 n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ia1 n GLY 35 N 1.03 0.47 3.75 0.72 0.00 -0.04 -5.04 105.19 106.09 3ia1 n GLY 35 Ca 0.14 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3ia1 n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ia1 s GLN 36 N -0.79 4.83 0.27 1.61 -1.52 -1.26 -4.77 119.66 118.03 3ia1 s GLN 36 Ca 0.00 1.54 -0.29 0.00 -1.95 0.00 0.00 55.36 54.65 3ia1 s GLN 36 Cb 0.00 -3.27 -0.09 0.00 -0.22 0.00 0.00 33.01 29.43 3ia1 s GLN 36 CO 0.00 0.47 1.18 -1.25 -0.25 0.00 0.00 175.29 175.44 3ia1 s PRO 37 N -1.22 4.53 -0.12 2.91 0.04 -1.26 -1.40 135.00 138.49 3ia1 s PRO 37 Ca 0.42 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.42 3ia1 s PRO 37 Cb -0.27 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.12 3ia1 s PRO 37 CO 0.33 0.03 -0.18 0.08 0.04 0.00 0.00 177.00 177.31 3ia1 s VAL 38 N -0.91 1.73 0.24 -0.36 1.01 0.58 -4.90 120.40 117.78 3ia1 s VAL 38 Ca 0.48 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3ia1 s VAL 38 Cb -0.34 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3ia1 s VAL 38 CO 0.43 0.49 0.12 0.42 0.00 0.00 0.00 175.10 176.56 3ia1 s THR 39 N 0.83 0.25 0.49 3.92 -4.23 -1.26 -1.74 115.64 113.91 3ia1 s THR 39 Ca -0.09 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.69 3ia1 s THR 39 Cb -0.16 -2.56 0.45 0.00 1.34 0.00 0.00 72.50 71.57 3ia1 s THR 39 CO -0.00 0.00 1.87 -0.65 -0.54 0.00 0.00 174.62 175.30 3ia1 h PRO 40 N 2.48 0.15 -0.14 3.99 0.11 -1.87 -0.01 132.00 136.72 3ia1 h PRO 40 Ca -0.36 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.51 3ia1 h PRO 40 Cb 1.25 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ia1 h PRO 40 CO 0.56 0.10 -0.81 0.00 -0.21 0.00 0.00 178.00 177.64 3ia1 h ALA 41 N 1.57 0.29 0.00 -0.75 0.00 -1.96 -3.35 119.26 115.07 3ia1 h ALA 41 Ca 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ia1 h ALA 41 Cb 1.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3ia1 h ALA 41 CO -0.08 0.69 -1.03 0.25 0.00 0.00 0.00 179.25 179.08 3ia1 n THR 42 N -3.93 0.25 -1.74 0.00 -2.24 -0.74 -4.91 114.28 100.96 3ia1 n THR 42 Ca -0.08 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3ia1 n THR 42 Cb 0.76 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3ia1 n THR 42 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3ia1 n VAL 43 N -2.11 1.97 -2.42 2.28 3.14 -0.09 -4.83 118.33 116.27 3ia1 n VAL 43 Ca 0.01 -0.49 -0.40 0.00 -2.96 0.00 0.00 64.34 60.50 3ia1 n VAL 43 Cb 0.46 -1.82 -0.04 0.00 -1.06 0.00 0.00 33.84 31.38 3ia1 n VAL 43 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3ia1 s SER 44 N -0.18 7.19 0.03 6.55 0.15 -1.26 -5.04 113.70 121.14 3ia1 s SER 44 Ca 0.54 2.33 0.03 0.00 0.70 0.00 0.00 55.95 59.55 3ia1 s SER 44 Cb -0.51 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.15 3ia1 s SER 44 CO 0.63 -0.21 -0.08 -0.54 1.20 0.00 0.00 173.24 174.24 3ia1 s LYS 45 N -1.44 0.58 1.16 5.44 1.02 -1.26 -4.20 119.74 121.04 3ia1 s LYS 45 Ca 0.45 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.70 3ia1 s LYS 45 Cb -0.33 -0.46 0.28 0.00 -0.52 0.00 0.00 37.83 36.80 3ia1 s LYS 45 CO 0.43 0.10 1.03 -1.25 -0.92 0.00 0.00 175.35 174.74 3ia1 s PRO 46 N -1.12 -0.90 0.21 -1.68 0.04 -1.26 -4.80 135.00 125.49 3ia1 s PRO 46 Ca -0.04 0.81 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 3ia1 s PRO 46 Cb -0.07 -1.56 0.03 0.00 0.04 0.00 0.00 34.50 32.94 3ia1 s PRO 46 CO 0.00 -3.70 0.56 0.00 0.04 0.00 0.00 177.00 173.91 3ia1 s ALA 47 N -2.49 -1.00 -0.01 8.56 0.00 -0.62 -4.40 121.76 121.79 3ia1 s ALA 47 Ca 0.68 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.51 3ia1 s ALA 47 Cb -0.25 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 3ia1 s ALA 47 CO 0.64 -0.84 -0.25 0.08 0.00 0.00 0.00 175.76 175.39 3ia1 s VAL 48 N -3.88 2.19 -0.09 0.00 1.01 -0.38 -1.00 120.40 118.24 3ia1 s VAL 48 Ca 0.10 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.00 3ia1 s VAL 48 Cb -0.02 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 3ia1 s VAL 48 CO -0.01 0.54 -0.23 -0.63 0.00 0.00 0.00 175.10 174.77 3ia1 s ILE 49 N -0.66 2.18 -0.09 2.22 1.01 -0.16 -0.46 121.20 125.22 3ia1 s ILE 49 Ca 0.11 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3ia1 s ILE 49 Cb -0.10 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3ia1 s ILE 49 CO -0.00 0.56 -0.22 -0.69 0.00 0.00 0.00 174.94 174.59 3ia1 s VAL 50 N 0.19 2.27 -0.08 2.92 1.01 0.21 -0.45 120.40 126.47 3ia1 s VAL 50 Ca -0.14 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 3ia1 s VAL 50 Cb -0.17 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 3ia1 s VAL 50 CO 0.07 0.56 0.29 -0.36 0.00 0.00 0.00 175.10 175.65 3ia1 s PHE 51 N 0.20 3.62 0.27 5.22 0.08 -0.05 -1.06 117.98 126.26 3ia1 s PHE 51 Ca -0.13 0.73 -0.00 0.00 0.12 0.00 0.00 56.93 57.65 3ia1 s PHE 51 Cb -0.16 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 3ia1 s PHE 51 CO 0.07 0.58 0.35 -2.67 -0.10 0.00 0.00 175.22 173.45 3ia1 n TRP 52 N 2.32 -1.11 -3.71 0.36 4.27 -0.76 -3.16 117.44 115.64 3ia1 n TRP 52 Ca -0.16 -1.89 -0.14 0.00 -3.89 0.00 0.00 57.50 51.42 3ia1 n TRP 52 Cb 0.53 0.39 -0.08 0.00 -1.36 0.00 0.00 31.31 30.79 3ia1 n TRP 52 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3ia1 s ALA 53 N -2.61 -1.00 0.50 -1.67 0.00 -1.26 -0.54 121.76 115.18 3ia1 s ALA 53 Ca 0.24 0.58 0.18 0.00 0.00 0.00 0.00 51.96 52.97 3ia1 s ALA 53 Cb -0.00 0.01 1.24 0.00 0.00 0.00 0.00 23.12 24.36 3ia1 s ALA 53 CO 0.17 -0.28 2.04 0.66 0.00 0.00 0.00 175.76 178.36 3ia1 h SER 54 N 3.80 0.12 -0.01 0.00 4.64 -2.00 -0.52 113.55 119.58 3ia1 h SER 54 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3ia1 h SER 54 Cb 1.17 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3ia1 h SER 54 CO 0.39 0.07 0.00 -2.67 -0.87 0.00 0.00 176.83 173.75 3ia1 n TRP 55 N -4.46 0.00 -2.96 4.77 4.27 -1.26 -4.81 117.44 113.00 3ia1 n TRP 55 Ca 0.05 -0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.23 3ia1 n TRP 55 Cb 0.35 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.26 3ia1 n TRP 55 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3ia1 h THR 57 N 5.95 1.06 -0.61 0.00 1.35 -1.87 -2.40 112.91 116.39 3ia1 h THR 57 Ca -0.29 -0.28 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 3ia1 h THR 57 Cb 1.08 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.65 3ia1 h THR 57 CO 1.13 0.15 0.21 0.58 -0.25 0.00 0.00 175.52 177.33 3ia1 h VAL 58 N 0.80 1.24 -0.07 6.82 2.07 -1.97 -1.62 116.25 123.52 3ia1 h VAL 58 Ca 0.29 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3ia1 h VAL 58 Cb 0.07 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3ia1 h VAL 58 CO -0.13 0.31 -0.12 0.00 0.02 0.00 0.00 177.57 177.65 3ia1 h LYS 60 N -0.17 0.47 0.00 0.00 1.57 -1.20 -1.80 116.57 115.45 3ia1 h LYS 60 Ca 0.07 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3ia1 h LYS 60 Cb 0.26 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3ia1 h LYS 60 CO -0.17 0.63 -0.07 0.00 -0.57 0.00 0.00 179.45 179.27 3ia1 h ALA 61 N 1.39 1.71 0.00 3.86 0.00 -1.13 -2.65 119.26 122.44 3ia1 h ALA 61 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ia1 h ALA 61 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ia1 h ALA 61 CO 0.04 0.08 -0.36 0.93 0.00 0.00 0.00 179.25 179.94 3ia1 h GLU 62 N 0.00 0.00 -0.59 0.00 4.39 -1.07 -3.40 114.58 113.92 3ia1 h GLU 62 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3ia1 h GLU 62 Cb 0.13 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3ia1 h GLU 62 CO 0.01 0.00 0.30 0.74 -1.16 0.00 0.00 179.01 178.90 3ia1 h PHE 63 N 0.00 0.83 -0.79 4.33 0.04 -1.33 -2.29 116.94 117.73 3ia1 h PHE 63 Ca 0.00 -0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.83 3ia1 h PHE 63 Cb 0.79 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.61 3ia1 h PHE 63 CO 0.00 0.62 0.44 -1.35 -0.60 0.00 0.00 178.31 177.42 3ia1 h PRO 64 N 0.80 0.71 -0.31 1.51 0.11 -1.77 0.17 132.00 133.22 3ia1 h PRO 64 Ca 0.20 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 3ia1 h PRO 64 Cb 0.09 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3ia1 h PRO 64 CO -0.03 0.47 -0.21 0.78 -0.21 0.00 0.00 178.00 178.80 3ia1 h GLY 65 N 0.73 0.75 1.02 -0.55 0.00 -1.79 -2.00 103.07 101.24 3ia1 h GLY 65 Ca 0.39 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 3ia1 h GLY 65 CO -0.26 0.65 0.23 1.41 0.00 0.00 0.00 176.54 178.57 3ia1 h LEU 66 N 0.44 0.96 -0.98 3.11 3.38 -1.16 -2.39 115.31 118.66 3ia1 h LEU 66 Ca 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ia1 h LEU 66 Cb 0.76 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3ia1 h LEU 66 CO 0.06 0.90 0.56 -0.74 0.09 0.00 0.00 178.44 179.31 3ia1 h HIS 67 N 0.97 1.23 -0.73 1.13 2.76 -0.56 -0.75 115.15 119.20 3ia1 h HIS 67 Ca 0.22 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 3ia1 h HIS 67 Cb 0.27 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 3ia1 h HIS 67 CO 0.02 0.81 0.20 0.00 -1.30 0.00 0.00 177.93 177.66 3ia1 h ARG 68 N 1.29 1.14 -0.69 5.26 3.08 -1.08 -0.81 114.38 122.57 3ia1 h ARG 68 Ca 0.34 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3ia1 h ARG 68 Cb -0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3ia1 h ARG 68 CO -0.06 0.99 0.40 0.28 -1.07 0.00 0.00 179.97 180.50 3ia1 h VAL 69 N 1.09 1.21 -0.55 2.04 2.07 -0.92 0.53 116.25 121.72 3ia1 h VAL 69 Ca 0.23 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.29 3ia1 h VAL 69 Cb 0.34 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3ia1 h VAL 69 CO -0.00 0.22 0.32 0.00 0.02 0.00 0.00 177.57 178.13 3ia1 h ALA 70 N 1.20 0.70 -0.23 1.67 0.00 -0.73 -0.10 119.26 121.77 3ia1 h ALA 70 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ia1 h ALA 70 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ia1 h ALA 70 CO -0.04 0.03 0.07 0.93 0.00 0.00 0.00 179.25 180.23 3ia1 h GLU 71 N 0.64 0.37 -0.31 0.00 5.08 -0.79 -0.67 114.58 118.90 3ia1 h GLU 71 Ca 0.22 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 3ia1 h GLU 71 Cb 0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ia1 h GLU 71 CO -0.11 0.47 -0.41 0.93 -1.00 0.00 0.00 179.01 178.89 3ia1 h GLU 72 N 0.21 0.76 0.00 2.33 5.08 -0.66 -3.28 114.58 119.01 3ia1 h GLU 72 Ca 0.07 -0.40 -0.21 0.00 -1.00 0.00 0.00 59.36 57.82 3ia1 h GLU 72 Cb 0.26 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3ia1 h GLU 72 CO -0.00 1.03 -1.37 1.79 -1.00 0.00 0.00 179.01 179.46 3ia1 h THR 73 N 0.62 0.83 0.00 1.13 1.35 -1.07 -3.48 112.91 112.28 3ia1 h THR 73 Ca 0.05 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 3ia1 h THR 73 Cb 0.97 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3ia1 h THR 73 CO 0.09 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 3ia1 n GLY 74 N 1.43 0.41 3.73 5.82 0.00 -0.26 -4.89 105.19 111.43 3ia1 n GLY 74 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3ia1 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ia1 s VAL 75 N -2.03 4.03 0.17 1.61 1.01 -1.25 -4.99 120.40 118.94 3ia1 s VAL 75 Ca 0.00 1.63 -0.31 0.00 0.00 0.00 0.00 61.98 63.30 3ia1 s VAL 75 Cb 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 3ia1 s VAL 75 CO 0.00 0.22 1.45 -2.84 0.00 0.00 0.00 175.10 173.93 3ia1 s PRO 76 N 0.17 4.28 -0.31 2.72 0.02 -1.26 -4.75 135.00 135.88 3ia1 s PRO 76 Ca 0.52 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.74 3ia1 s PRO 76 Cb -0.28 -3.18 0.05 0.00 0.02 0.00 0.00 34.50 31.11 3ia1 s PRO 76 CO 0.32 -0.47 0.01 -0.06 -0.33 0.00 0.00 177.00 176.48 3ia1 s PHE 77 N 0.75 3.27 -0.04 6.54 0.40 -1.26 -1.25 117.98 126.39 3ia1 s PHE 77 Ca 0.64 -1.85 -0.14 0.00 -0.60 0.00 0.00 56.93 54.98 3ia1 s PHE 77 Cb -0.40 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 40.92 3ia1 s PHE 77 CO 0.34 -0.80 0.37 0.71 0.70 0.00 0.00 175.22 176.55 3ia1 s TYR 78 N 1.26 3.66 -0.09 0.36 2.02 0.39 -0.66 117.35 124.29 3ia1 s TYR 78 Ca -0.05 0.89 0.03 0.00 -0.37 0.00 0.00 57.07 57.57 3ia1 s TYR 78 Cb -0.20 -2.28 0.01 0.00 -0.40 0.00 0.00 41.96 39.09 3ia1 s TYR 78 CO -0.01 0.56 -0.18 0.14 -1.57 0.00 0.00 175.55 174.49 3ia1 s VAL 79 N -0.72 1.63 -0.11 0.71 -7.23 -0.39 -0.62 120.40 113.67 3ia1 s VAL 79 Ca 0.22 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3ia1 s VAL 79 Cb -0.16 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.35 3ia1 s VAL 79 CO 0.11 0.47 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.59 3ia1 s ILE 80 N 0.62 1.41 0.04 -0.62 1.01 -0.22 -1.38 121.20 122.05 3ia1 s ILE 80 Ca -0.14 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 3ia1 s ILE 80 Cb -0.16 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.95 3ia1 s ILE 80 CO 0.04 0.42 0.61 -0.55 0.00 0.00 0.00 174.94 175.47 3ia1 s SER 81 N 1.05 7.05 0.00 3.58 0.15 -1.26 -1.83 113.70 122.44 3ia1 s SER 81 Ca -0.06 1.24 0.29 0.00 0.70 0.00 0.00 55.95 58.12 3ia1 s SER 81 Cb -0.15 -2.38 1.19 0.00 -1.71 0.00 0.00 66.02 62.98 3ia1 s SER 81 CO -0.02 0.16 1.83 0.54 1.20 0.00 0.00 173.24 176.94 3ia1 n ARG 82 N 2.33 1.52 -3.44 5.44 1.74 0.30 -3.22 116.66 121.33 3ia1 n ARG 82 Ca -0.08 -0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 55.83 3ia1 n ARG 82 Cb 0.51 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 3ia1 n ARG 82 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3ia1 s GLU 83 N -2.02 3.85 0.45 5.56 2.56 -1.26 -4.77 118.70 123.08 3ia1 s GLU 83 Ca 0.39 -0.20 0.15 0.00 0.00 0.00 0.00 54.97 55.32 3ia1 s GLU 83 Cb 0.21 -3.71 1.09 0.00 2.00 0.00 0.00 34.13 33.73 3ia1 s GLU 83 CO 0.35 -0.34 1.99 -1.35 -0.56 0.00 0.00 175.26 175.35 3ia1 h PRO 84 N 8.32 0.32 0.00 4.30 0.11 -1.99 -1.39 132.00 141.67 3ia1 h PRO 84 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ia1 h PRO 84 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ia1 h PRO 84 CO 0.64 0.21 0.00 0.54 -0.21 0.00 0.00 178.00 179.18 3ia1 n ARG 85 N -4.46 0.06 -2.51 1.05 1.74 -1.26 -4.36 116.66 106.92 3ia1 n ARG 85 Ca 0.09 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.85 3ia1 n ARG 85 Cb 0.39 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 3ia1 n ARG 85 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ia1 n ASP 86 N -1.46 4.71 -4.61 0.55 8.00 -0.53 -4.91 116.55 118.30 3ia1 n ASP 86 Ca 0.07 -2.89 -0.29 0.00 0.71 0.00 0.00 54.79 52.38 3ia1 n ASP 86 Cb 0.26 -1.75 0.15 0.00 -0.02 0.00 0.00 41.12 39.76 3ia1 n ASP 86 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ia1 s THR 87 N 4.98 1.96 0.39 -3.53 -4.23 -1.26 -4.65 115.64 109.29 3ia1 s THR 87 Ca 0.56 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.13 3ia1 s THR 87 Cb 0.04 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.36 3ia1 s THR 87 CO 0.08 0.00 2.02 0.08 -0.54 0.00 0.00 174.62 176.26 3ia1 h ARG 88 N -1.56 0.64 -0.54 3.99 0.11 -1.97 0.48 114.38 115.53 3ia1 h ARG 88 Ca -0.48 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 59.59 3ia1 h ARG 88 Cb 1.31 -0.14 -0.04 0.00 1.11 0.00 0.00 29.97 32.21 3ia1 h ARG 88 CO 0.56 0.42 0.31 0.93 0.10 0.00 0.00 179.97 182.30 3ia1 h GLU 89 N 0.66 0.59 0.01 0.08 3.07 -1.98 0.37 114.58 117.37 3ia1 h GLU 89 Ca 0.21 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3ia1 h GLU 89 Cb 0.04 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3ia1 h GLU 89 CO -0.05 0.39 -0.00 0.28 -1.40 0.00 0.00 179.01 178.22 3ia1 h VAL 90 N 0.60 1.16 0.10 3.13 2.07 -1.54 -2.79 116.25 119.00 3ia1 h VAL 90 Ca 0.23 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3ia1 h VAL 90 Cb 0.07 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3ia1 h VAL 90 CO -0.12 0.13 -0.05 0.58 0.02 0.00 0.00 177.57 178.13 3ia1 h VAL 91 N -0.24 1.09 -0.42 2.57 2.07 -0.74 -1.81 116.25 118.76 3ia1 h VAL 91 Ca -0.00 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3ia1 h VAL 91 Cb 0.23 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3ia1 h VAL 91 CO 0.00 0.19 0.11 -0.07 0.02 0.00 0.00 177.57 177.82 3ia1 h LEU 92 N -0.51 0.57 -0.12 2.57 3.38 -0.37 0.12 115.31 120.96 3ia1 h LEU 92 Ca -0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3ia1 h LEU 92 Cb 0.42 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ia1 h LEU 92 CO 0.02 0.57 -0.16 -0.08 0.09 0.00 0.00 178.44 178.89 3ia1 h GLU 93 N 0.61 0.31 -0.78 1.13 4.57 -1.48 -2.55 114.58 116.39 3ia1 h GLU 93 Ca 0.14 -0.18 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3ia1 h GLU 93 Cb 0.22 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3ia1 h GLU 93 CO -0.00 0.75 0.46 -0.92 -1.18 0.00 0.00 179.01 178.11 3ia1 h TYR 94 N -0.10 0.86 0.00 0.92 3.20 -0.95 -3.09 116.97 117.81 3ia1 h TYR 94 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3ia1 h TYR 94 Cb 0.71 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3ia1 h TYR 94 CO 0.10 0.42 0.00 -1.33 -1.64 0.00 0.00 178.16 175.70 3ia1 n MET 95 N -4.70 0.14 0.25 1.82 2.81 0.40 -2.53 117.12 115.32 3ia1 n MET 95 Ca 0.11 0.03 0.16 0.00 -1.81 0.00 0.00 57.70 56.18 3ia1 n MET 95 Cb 0.18 -1.50 0.86 0.00 -0.71 0.00 0.00 33.22 32.06 3ia1 n MET 95 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3ia1 h LYS 96 N 0.00 0.00 0.00 0.03 1.57 -1.37 -0.77 116.57 116.03 3ia1 h LYS 96 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3ia1 h LYS 96 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3ia1 h LYS 96 CO 0.00 0.00 -0.25 1.15 -0.57 0.00 0.00 179.45 179.78 3ia1 h THR 97 N 0.00 1.07 -2.12 -0.16 2.02 -1.70 -3.34 112.91 108.70 3ia1 h THR 97 Ca 0.04 -0.88 -0.58 0.00 0.77 0.00 0.00 66.41 65.76 3ia1 h THR 97 Cb 0.23 1.49 -0.41 0.00 -1.74 0.00 0.00 68.15 67.72 3ia1 h THR 97 CO -0.00 0.24 -0.80 -1.22 0.37 0.00 0.00 175.52 174.12 3ia1 n TYR 98 N -4.09 2.09 0.31 3.16 4.01 -0.30 -4.98 117.16 117.35 3ia1 n TYR 98 Ca -0.02 -3.92 0.20 0.00 -0.16 0.00 0.00 57.90 53.99 3ia1 n TYR 98 Cb 0.31 -0.48 0.97 0.00 -0.31 0.00 0.00 39.34 39.83 3ia1 n TYR 98 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ia1 h PRO 99 N 4.08 0.00 0.00 -0.72 0.13 -1.68 -2.10 132.00 131.70 3ia1 h PRO 99 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3ia1 h PRO 99 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 3ia1 h PRO 99 CO 0.69 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.36 3ia1 h ARG 100 N 0.00 0.00 -7.16 0.86 2.47 -1.94 -3.45 114.38 105.16 3ia1 h ARG 100 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 3ia1 h ARG 100 Cb 0.20 0.00 0.14 0.00 -1.65 0.00 0.00 29.97 28.66 3ia1 h ARG 100 CO 0.00 0.10 0.42 -0.06 0.56 0.00 0.00 179.97 180.99 3ia1 s PHE 101 N -3.25 2.21 -0.48 3.04 0.08 -0.79 -4.70 117.98 114.08 3ia1 s PHE 101 Ca 0.05 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 58.64 3ia1 s PHE 101 Cb 0.06 -3.45 0.13 0.00 -0.57 0.00 0.00 43.02 39.19 3ia1 s PHE 101 CO 0.67 -2.41 0.28 0.42 -0.10 0.00 0.00 175.22 174.07 3ia1 s ILE 102 N -1.89 3.38 0.43 0.64 1.01 0.16 -5.02 121.20 119.91 3ia1 s ILE 102 Ca 0.75 -2.42 -0.24 0.00 0.00 0.00 0.00 60.65 58.73 3ia1 s ILE 102 Cb -0.29 -3.28 -0.08 0.00 0.01 0.00 0.00 42.46 38.82 3ia1 s ILE 102 CO 0.41 -0.76 1.19 -2.16 0.00 0.00 0.00 174.94 173.63 3ia1 s PRO 103 N 0.67 3.89 -0.17 2.79 0.04 -1.26 -1.26 135.00 139.70 3ia1 s PRO 103 Ca 0.12 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 3ia1 s PRO 103 Cb -0.22 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 3ia1 s PRO 103 CO -0.04 -0.47 -0.09 -0.51 0.04 0.00 0.00 177.00 175.93 3ia1 s LEU 104 N -2.73 2.83 0.31 -3.56 1.43 -0.48 -4.09 118.68 112.40 3ia1 s LEU 104 Ca 0.60 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.46 3ia1 s LEU 104 Cb -0.31 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3ia1 s LEU 104 CO 0.39 0.10 -0.01 -0.76 0.23 0.00 0.00 176.35 176.30 3ia1 s LEU 105 N 0.77 3.03 0.30 1.79 1.43 0.83 -4.72 118.68 122.10 3ia1 s LEU 105 Ca -0.04 -0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 51.92 3ia1 s LEU 105 Cb -0.15 -1.48 -0.13 0.00 0.03 0.00 0.00 46.19 44.46 3ia1 s LEU 105 CO 0.01 -0.13 1.17 0.00 0.23 0.00 0.00 176.35 177.64 3ia1 n ALA 106 N -0.91 0.51 -3.27 4.21 0.00 -1.26 -0.75 120.51 119.04 3ia1 n ALA 106 Ca -0.05 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 3ia1 n ALA 106 Cb 0.61 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3ia1 n ALA 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ia1 n SER 107 N 1.17 0.69 0.22 0.00 3.41 -0.30 -4.47 113.62 114.34 3ia1 n SER 107 Ca 0.08 -1.18 0.15 0.00 -0.26 0.00 0.00 58.87 57.66 3ia1 n SER 107 Cb 0.33 -0.02 0.66 0.00 -0.26 0.00 0.00 64.21 64.92 3ia1 n SER 107 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3ia1 h ASP 108 N 0.04 0.00 0.00 4.04 2.03 -1.95 -3.35 116.42 117.23 3ia1 h ASP 108 Ca -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3ia1 h ASP 108 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 3ia1 h ASP 108 CO 0.05 0.00 -0.91 -2.11 -1.03 0.00 0.00 179.24 175.23 3ia1 n ARG 109 N -2.69 1.83 -4.45 4.15 1.85 -1.26 -5.03 116.66 111.06 3ia1 n ARG 109 Ca 0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 3ia1 n ARG 109 Cb 0.23 -0.96 -0.14 0.00 -1.05 0.00 0.00 32.46 30.54 3ia1 n ARG 109 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ia1 s ASP 110 N -2.25 1.84 0.07 2.89 1.01 -1.26 -5.04 116.67 113.94 3ia1 s ASP 110 Ca 0.00 -0.45 -0.02 0.00 0.71 0.00 0.00 52.55 52.79 3ia1 s ASP 110 Cb 0.00 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 3ia1 s ASP 110 CO 0.00 0.08 0.26 -0.13 0.21 0.00 0.00 175.17 175.58 3ia1 s ARG 111 N -1.06 3.50 0.27 8.23 0.52 -1.26 -1.15 118.95 128.00 3ia1 s ARG 111 Ca 0.03 -0.30 -0.00 0.00 -0.52 0.00 0.00 55.73 54.94 3ia1 s ARG 111 Cb -0.08 -3.00 0.58 0.00 0.52 0.00 0.00 34.95 32.97 3ia1 s ARG 111 CO 0.01 0.58 1.74 -1.35 0.02 0.00 0.00 175.30 176.30 3ia1 h PRO 112 N 3.17 0.50 0.00 3.54 0.11 -1.86 -0.69 132.00 136.77 3ia1 h PRO 112 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3ia1 h PRO 112 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3ia1 h PRO 112 CO 0.74 0.33 -0.35 1.12 -0.21 0.00 0.00 178.00 179.63 3ia1 h HIS 113 N 0.52 0.00 -0.28 0.65 2.07 -1.85 -0.72 115.15 115.54 3ia1 h HIS 113 Ca 0.48 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.87 3ia1 h HIS 113 Cb 0.77 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.74 3ia1 h HIS 113 CO -0.12 0.35 -0.37 0.93 -3.07 0.00 0.00 177.93 175.65 3ia1 h GLU 114 N 0.00 0.63 -0.05 5.12 5.08 -1.49 -1.72 114.58 122.15 3ia1 h GLU 114 Ca -0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3ia1 h GLU 114 Cb 0.82 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 3ia1 h GLU 114 CO 0.05 0.90 0.00 0.28 -1.00 0.00 0.00 179.01 179.24 3ia1 h VAL 115 N 0.53 1.23 -0.95 3.13 2.07 -0.88 -3.09 116.25 118.29 3ia1 h VAL 115 Ca 0.05 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.95 3ia1 h VAL 115 Cb 0.88 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 3ia1 h VAL 115 CO 0.08 0.19 0.61 0.00 0.02 0.00 0.00 177.57 178.47 3ia1 h ALA 116 N 0.73 1.54 -0.01 1.67 0.00 -1.11 -1.66 119.26 120.41 3ia1 h ALA 116 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ia1 h ALA 116 Cb 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ia1 h ALA 116 CO 0.00 0.27 0.07 0.00 0.00 0.00 0.00 179.25 179.59 3ia1 h ALA 117 N 1.52 1.17 0.00 0.00 0.00 -1.23 -0.69 119.26 120.04 3ia1 h ALA 117 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ia1 h ALA 117 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ia1 h ALA 117 CO -0.20 -0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.52 3ia1 n ARG 118 N -3.20 0.18 -2.77 0.00 1.74 -0.62 -4.80 116.66 107.18 3ia1 n ARG 118 Ca -0.03 0.17 -0.29 0.00 -0.77 0.00 0.00 57.85 56.93 3ia1 n ARG 118 Cb 0.14 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 3ia1 n ARG 118 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ia1 s PHE 119 N -3.08 3.50 -0.37 -1.55 0.40 -0.27 -4.81 117.98 111.81 3ia1 s PHE 119 Ca 0.11 0.97 0.01 0.00 -0.60 0.00 0.00 56.93 57.42 3ia1 s PHE 119 Cb 0.14 -2.40 0.38 0.00 0.51 0.00 0.00 43.02 41.65 3ia1 s PHE 119 CO 0.56 -0.17 1.80 1.63 0.70 0.00 0.00 175.22 179.74 3ia1 n LYS 120 N -1.62 1.96 -4.17 0.44 5.02 -1.26 -4.82 118.16 113.71 3ia1 n LYS 120 Ca 0.02 -2.09 -0.16 0.00 -2.02 0.00 0.00 58.31 54.07 3ia1 n LYS 120 Cb 0.54 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.62 3ia1 n LYS 120 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3ia1 s VAL 121 N -2.65 0.98 -0.06 -0.18 -7.23 -1.26 -5.15 120.40 104.85 3ia1 s VAL 121 Ca 0.40 -1.50 -0.00 0.00 -1.81 0.00 0.00 61.98 59.07 3ia1 s VAL 121 Cb 0.33 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 3ia1 s VAL 121 CO 0.04 -0.44 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.61 3ia1 s LEU 122 N -2.17 3.43 0.00 1.32 1.43 -1.26 -4.94 118.68 116.48 3ia1 s LEU 122 Ca 0.02 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3ia1 s LEU 122 Cb -0.06 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3ia1 s LEU 122 CO 0.01 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.55 3ia1 n GLY 123 N 1.96 -1.42 3.49 -3.19 0.00 -1.26 -5.00 105.19 99.76 3ia1 n GLY 123 Ca -0.17 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 3ia1 n GLY 123 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ia1 s GLN 124 N 0.00 0.96 0.43 1.61 0.00 -1.26 -4.72 119.66 116.68 3ia1 s GLN 124 Ca 0.00 -0.24 -0.19 0.00 -0.00 0.00 0.00 55.36 54.93 3ia1 s GLN 124 Cb 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 33.01 33.35 3ia1 s GLN 124 CO 0.00 -0.40 0.93 -1.25 0.00 0.00 0.00 175.29 174.57 3ia1 s PRO 125 N -2.87 4.14 0.03 9.60 0.04 -1.26 -4.93 135.00 139.74 3ia1 s PRO 125 Ca 0.01 1.02 0.04 0.00 0.04 0.00 0.00 61.00 62.11 3ia1 s PRO 125 Cb -0.01 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3ia1 s PRO 125 CO -0.07 -0.06 -0.12 -1.58 0.04 0.00 0.00 177.00 175.22 3ia1 s TRP 126 N -2.25 1.02 -0.11 0.56 0.52 -1.19 -2.75 118.94 114.74 3ia1 s TRP 126 Ca 0.60 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.41 3ia1 s TRP 126 Cb -0.09 -0.61 0.02 0.00 -1.15 0.00 0.00 33.47 31.63 3ia1 s TRP 126 CO 0.18 0.00 -0.15 0.99 0.02 0.00 0.00 176.95 177.99 3ia1 s THR 127 N -0.77 1.46 -0.08 2.01 2.01 -0.35 -0.87 115.64 119.05 3ia1 s THR 127 Ca 0.00 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3ia1 s THR 127 Cb -0.07 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3ia1 s THR 127 CO 0.01 0.43 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.83 3ia1 s PHE 128 N 1.06 2.63 -0.19 4.92 0.08 0.40 -0.94 117.98 125.94 3ia1 s PHE 128 Ca -0.05 -0.52 -0.06 0.00 0.12 0.00 0.00 56.93 56.41 3ia1 s PHE 128 Cb -0.15 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3ia1 s PHE 128 CO -0.03 -0.09 0.03 0.08 -0.10 0.00 0.00 175.22 175.12 3ia1 s VAL 129 N -0.19 4.37 -0.18 -0.44 1.01 -0.07 -0.99 120.40 123.91 3ia1 s VAL 129 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3ia1 s VAL 129 Cb -0.13 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3ia1 s VAL 129 CO 0.03 0.44 -0.06 -0.69 0.00 0.00 0.00 175.10 174.82 3ia1 s VAL 130 N 0.67 3.43 0.45 2.92 1.01 -0.17 -1.19 120.40 127.51 3ia1 s VAL 130 Ca 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 3ia1 s VAL 130 Cb -0.14 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.83 3ia1 s VAL 130 CO 0.02 0.47 0.62 -0.90 0.00 0.00 0.00 175.10 175.30 3ia1 n ASP 131 N 4.15 0.28 0.30 3.32 5.68 0.17 -1.59 116.55 128.86 3ia1 n ASP 131 Ca -0.18 -1.37 0.20 0.00 -0.50 0.00 0.00 54.79 52.94 3ia1 n ASP 131 Cb 0.52 -0.45 0.98 0.00 -1.14 0.00 0.00 41.12 41.02 3ia1 n ASP 131 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3ia1 h ARG 132 N 0.00 0.00 -0.52 0.11 3.08 -1.84 -1.48 114.38 113.73 3ia1 h ARG 132 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3ia1 h ARG 132 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ia1 h ARG 132 CO 0.16 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.45 3ia1 n GLU 133 N -2.99 2.58 -0.89 0.04 4.71 -1.26 -4.88 120.64 117.95 3ia1 n GLU 133 Ca -0.02 -2.42 0.00 0.00 -0.01 0.00 0.00 57.16 54.71 3ia1 n GLU 133 Cb 0.15 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 3ia1 n GLU 133 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ia1 n GLY 134 N 1.51 0.49 3.85 0.62 0.00 -0.56 -5.04 105.19 106.06 3ia1 n GLY 134 Ca 0.21 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3ia1 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia1 s LYS 135 N -1.15 3.76 -0.52 1.61 -0.14 -1.26 -3.26 119.74 118.77 3ia1 s LYS 135 Ca 0.00 0.22 -0.28 0.00 -1.36 0.00 0.00 55.97 54.55 3ia1 s LYS 135 Cb 0.00 -3.19 0.03 0.00 -1.68 0.00 0.00 37.83 32.99 3ia1 s LYS 135 CO 0.00 0.71 1.13 0.08 -0.76 0.00 0.00 175.35 176.50 3ia1 s VAL 136 N -1.10 4.17 -1.06 3.17 1.01 0.13 -0.66 120.40 126.06 3ia1 s VAL 136 Ca 0.22 0.98 0.14 0.00 0.00 0.00 0.00 61.98 63.32 3ia1 s VAL 136 Cb -0.15 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 3ia1 s VAL 136 CO 0.11 -1.14 0.70 1.33 0.00 0.00 0.00 175.10 176.11 3ia1 n VAL 137 N 6.70 0.00 -3.64 2.92 0.24 -0.33 -2.10 118.33 122.12 3ia1 n VAL 137 Ca 0.09 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 3ia1 n VAL 137 Cb 0.49 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 33.89 3ia1 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ia1 s ALA 138 N -1.88 -1.43 0.06 2.33 0.00 -1.24 -4.87 121.76 114.73 3ia1 s ALA 138 Ca 0.09 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.36 3ia1 s ALA 138 Cb 0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3ia1 s ALA 138 CO 0.41 -0.31 -0.09 -0.51 0.00 0.00 0.00 175.76 175.27 3ia1 s LEU 139 N -0.52 2.32 -0.02 0.00 1.02 -1.26 -0.89 118.68 119.33 3ia1 s LEU 139 Ca -0.06 -0.67 0.01 0.00 0.02 0.00 0.00 54.13 53.43 3ia1 s LEU 139 Cb -0.03 -0.21 0.01 0.00 0.02 0.00 0.00 46.19 45.99 3ia1 s LEU 139 CO 0.05 -0.24 -0.02 -0.36 0.02 0.00 0.00 176.35 175.80 3ia1 s PHE 140 N -1.88 0.33 -0.08 0.29 0.08 -0.12 -4.99 117.98 111.63 3ia1 s PHE 140 Ca -0.03 -0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.83 3ia1 s PHE 140 Cb -0.07 -0.34 -0.05 0.00 -0.57 0.00 0.00 43.02 42.00 3ia1 s PHE 140 CO -0.00 -0.08 0.40 0.00 -0.10 0.00 0.00 175.22 175.43 3ia1 s ALA 141 N 0.57 3.61 0.00 5.36 0.00 -1.26 -1.22 121.76 128.82 3ia1 s ALA 141 Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3ia1 s ALA 141 Cb -0.09 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.57 3ia1 s ALA 141 CO -0.01 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3ia1 n GLY 142 N 2.63 1.34 3.70 0.00 0.00 -1.11 -4.68 105.19 107.07 3ia1 n GLY 142 Ca -0.11 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3ia1 n GLY 142 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ia1 s ARG 143 N 0.00 4.36 -0.04 1.61 3.52 -1.26 -4.79 118.95 122.36 3ia1 s ARG 143 Ca 0.00 1.83 -0.22 0.00 -0.13 0.00 0.00 55.73 57.21 3ia1 s ARG 143 Cb 0.00 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 3ia1 s ARG 143 CO 0.00 -0.40 0.64 0.00 -0.81 0.00 0.00 175.30 174.73 3ia1 s ALA 144 N 1.64 3.42 0.56 6.12 0.00 -1.26 -5.05 121.76 127.19 3ia1 s ALA 144 Ca 0.60 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 3ia1 s ALA 144 Cb -0.30 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 3ia1 s ALA 144 CO 0.27 0.03 1.21 0.20 0.00 0.00 0.00 175.76 177.47 3ia1 s GLY 145 N 0.29 2.75 0.13 0.00 0.00 -1.26 -4.87 107.32 104.36 3ia1 s GLY 145 Ca 0.34 1.01 -0.16 0.00 0.00 0.00 0.00 44.72 45.91 3ia1 s GLY 145 CO 0.17 1.42 1.64 -0.09 0.00 0.00 0.00 173.10 176.24 3ia1 h ARG 146 N 1.16 0.61 -0.34 2.90 2.43 -1.99 -1.07 114.38 118.07 3ia1 h ARG 146 Ca -0.50 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 58.41 3ia1 h ARG 146 Cb 1.29 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3ia1 h ARG 146 CO 0.56 0.63 -0.25 0.93 -1.51 0.00 0.00 179.97 180.33 3ia1 h GLU 147 N 0.48 0.69 -0.22 0.20 4.39 -1.99 -0.85 114.58 117.28 3ia1 h GLU 147 Ca 0.12 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.56 3ia1 h GLU 147 Cb 0.28 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3ia1 h GLU 147 CO -0.00 0.88 0.06 0.00 -1.16 0.00 0.00 179.01 178.78 3ia1 h ALA 148 N 1.12 0.24 -0.44 3.43 0.00 -1.89 0.97 119.26 122.68 3ia1 h ALA 148 Ca 0.08 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ia1 h ALA 148 Cb 0.75 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ia1 h ALA 148 CO 0.06 -0.36 -0.04 1.25 0.00 0.00 0.00 179.25 180.16 3ia1 h LEU 149 N 0.15 0.80 -0.71 0.00 5.85 -0.94 -1.00 115.31 119.46 3ia1 h LEU 149 Ca 0.10 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 3ia1 h LEU 149 Cb 0.08 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3ia1 h LEU 149 CO -0.12 0.93 0.17 -0.07 -0.34 0.00 0.00 178.44 179.01 3ia1 h LEU 150 N 0.64 1.09 -0.54 2.25 3.38 -1.04 -1.11 115.31 119.98 3ia1 h LEU 150 Ca 0.12 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3ia1 h LEU 150 Cb 0.55 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3ia1 h LEU 150 CO 0.03 1.04 0.11 -0.78 0.09 0.00 0.00 178.44 178.93 3ia1 h ASP 151 N 1.08 0.84 -0.75 -0.43 3.58 -0.62 -0.23 116.42 119.89 3ia1 h ASP 151 Ca 0.22 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3ia1 h ASP 151 Cb 0.38 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 3ia1 h ASP 151 CO 0.00 0.88 0.49 0.00 -2.88 0.00 0.00 179.24 177.73 3ia1 h ALA 152 N 1.00 0.96 -0.65 -0.78 0.00 -0.89 -0.37 119.26 118.53 3ia1 h ALA 152 Ca 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ia1 h ALA 152 Cb 0.38 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ia1 h ALA 152 CO 0.01 0.39 0.21 -0.07 0.00 0.00 0.00 179.25 179.78 3ia1 h LEU 153 N 1.02 0.94 -0.09 0.00 3.38 -0.98 0.12 115.31 119.70 3ia1 h LEU 153 Ca 0.27 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ia1 h LEU 153 Cb -0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3ia1 h LEU 153 CO -0.06 0.89 -0.03 0.25 0.09 0.00 0.00 178.44 179.59 3ia1 h LEU 154 N 0.93 -0.09 -1.57 1.67 5.85 -0.62 -0.62 115.31 120.86 3ia1 h LEU 154 Ca 0.21 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3ia1 h LEU 154 Cb 0.29 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3ia1 h LEU 154 CO -0.01 -0.04 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.76 3ia1 h LEU 155 N -0.01 0.00 0.00 2.25 3.38 -0.86 -2.28 115.31 117.79 3ia1 h LEU 155 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ia1 h LEU 155 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ia1 h LEU 155 CO -0.10 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3ia1 n ALA 156 N -2.38 2.60 -0.29 1.53 0.00 0.01 -4.89 120.51 117.10 3ia1 n ALA 156 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3ia1 n ALA 156 Cb 0.31 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3ia1 n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ia1 n GLY 157 N 0.85 0.84 3.77 0.00 0.00 -0.86 -2.90 105.19 106.89 3ia1 n GLY 157 Ca 0.21 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3ia1 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia1 s ALA 158 N -2.00 3.28 -0.86 4.61 0.00 -0.28 -4.82 121.76 121.68 3ia1 s ALA 158 Ca 0.00 1.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 3ia1 s ALA 158 Cb 0.00 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.76 3ia1 s ALA 158 CO 0.00 -0.69 1.17 0.34 0.00 0.00 0.00 175.76 176.58 3ia1 s ASP 159 N -0.80 6.45 0.00 0.00 2.15 -1.26 -4.71 116.67 118.49 3ia1 s ASP 159 Ca 0.55 -1.52 0.12 0.00 0.43 0.00 0.00 52.55 52.13 3ia1 s ASP 159 Cb -0.36 -2.45 0.09 0.00 -0.30 0.00 0.00 42.92 39.90 3ia1 s ASP 159 CO 0.47 -1.32 0.88 0.18 -0.17 0.00 0.00 175.17 175.20