#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci2 n LYS 21 N 0.00 2.88 -0.69 3.23 3.00 -1.26 -4.78 118.16 120.54 3ci2 n LYS 21 Ca 0.00 -4.19 0.09 0.00 -0.00 0.00 0.00 58.31 54.20 3ci2 n LYS 21 Cb 0.00 -2.01 0.37 0.00 0.00 0.00 0.00 35.03 33.39 3ci2 n LYS 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3ci2 n THR 22 N -0.39 2.13 -4.15 3.15 -2.24 -1.26 -4.92 114.28 106.60 3ci2 n THR 22 Ca 0.32 -1.29 -0.14 0.00 -2.27 0.00 0.00 64.05 60.67 3ci2 n THR 22 Cb 0.71 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 3ci2 n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ci2 s GLU 23 N -2.15 0.76 -0.49 -0.78 -1.05 -1.26 0.10 118.70 113.83 3ci2 s GLU 23 Ca 0.52 -1.05 0.08 0.00 -0.15 0.00 0.00 54.97 54.37 3ci2 s GLU 23 Cb 0.36 -0.47 0.34 0.00 -0.44 0.00 0.00 34.13 33.91 3ci2 s GLU 23 CO 0.22 0.08 0.85 0.91 0.95 0.00 0.00 175.26 178.26 3ci2 n TRP 24 N 0.82 2.40 -0.24 4.83 8.01 0.33 -4.89 117.44 128.71 3ci2 n TRP 24 Ca -0.18 -3.92 0.15 0.00 -1.31 0.00 0.00 57.50 52.23 3ci2 n TRP 24 Cb 0.57 -0.46 0.44 0.00 -2.01 0.00 0.00 31.31 29.85 3ci2 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3ci2 h PRO 25 N 3.04 0.53 -1.17 -0.99 0.13 -1.95 0.41 132.00 132.00 3ci2 h PRO 25 Ca 0.12 -0.03 0.33 0.00 -0.87 0.00 0.00 66.00 65.55 3ci2 h PRO 25 Cb 0.70 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 3ci2 h PRO 25 CO 0.68 0.35 0.83 0.93 -0.23 0.00 0.00 178.00 180.56 3ci2 h GLU 26 N 0.55 0.07 0.00 0.86 3.07 -1.99 -0.36 114.58 116.79 3ci2 h GLU 26 Ca 0.44 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.15 3ci2 h GLU 26 Cb 0.88 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 3ci2 h GLU 26 CO -0.18 0.05 -0.68 -0.07 -1.40 0.00 0.00 179.01 176.73 3ci2 h LEU 27 N 0.07 0.00 -9.48 1.33 3.38 -1.32 -3.46 115.31 105.82 3ci2 h LEU 27 Ca 0.58 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.94 3ci2 h LEU 27 Cb 2.15 0.00 0.10 0.00 0.09 0.00 0.00 40.66 43.00 3ci2 h LEU 27 CO -0.07 0.68 0.28 0.52 0.09 0.00 0.00 178.44 179.93 3ci2 n VAL 28 N -3.28 1.57 0.00 1.22 0.31 -0.15 -0.51 118.33 117.49 3ci2 n VAL 28 Ca 0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3ci2 n VAL 28 Cb 0.80 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 3ci2 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ci2 n GLY 29 N 1.52 1.92 3.76 2.92 0.00 -0.70 -4.96 105.19 109.64 3ci2 n GLY 29 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3ci2 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ci2 s LYS 30 N -0.66 2.37 0.50 1.61 3.01 0.33 -4.82 119.74 122.08 3ci2 s LYS 30 Ca 0.00 -1.61 -0.02 0.00 -1.01 0.00 0.00 55.97 53.33 3ci2 s LYS 30 Cb 0.00 -2.17 -0.00 0.00 -1.01 0.00 0.00 37.83 34.65 3ci2 s LYS 30 CO 0.00 0.02 0.75 -1.54 0.51 0.00 0.00 175.35 175.09 3ci2 s SER 31 N -3.90 5.78 0.51 2.83 1.04 -1.26 0.54 113.70 119.24 3ci2 s SER 31 Ca 0.40 0.46 0.31 0.00 0.48 0.00 0.00 55.95 57.60 3ci2 s SER 31 Cb -0.01 -1.63 1.43 0.00 0.10 0.00 0.00 66.02 65.91 3ci2 s SER 31 CO 0.23 -0.81 1.84 1.62 0.98 0.00 0.00 173.24 177.10 3ci2 h VAL 32 N 0.20 0.50 0.00 5.02 3.04 -1.10 0.34 116.25 124.25 3ci2 h VAL 32 Ca -0.46 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3ci2 h VAL 32 Cb 1.25 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3ci2 h VAL 32 CO 0.59 0.01 -0.00 1.05 -1.01 0.00 0.00 177.57 178.21 3ci2 h GLU 33 N 0.08 -0.01 -0.35 4.17 9.09 -1.95 -1.60 114.58 124.01 3ci2 h GLU 33 Ca 0.51 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.99 3ci2 h GLU 33 Cb 1.86 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.88 3ci2 h GLU 33 CO -0.06 0.82 -0.20 1.49 0.05 0.00 0.00 179.01 181.11 3ci2 h GLU 34 N -0.85 -0.15 -0.02 1.06 4.22 -1.91 0.09 114.58 117.03 3ci2 h GLU 34 Ca -0.00 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.47 3ci2 h GLU 34 Cb 0.83 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 3ci2 h GLU 34 CO 0.00 -0.10 -0.53 0.00 -2.18 0.00 0.00 179.01 176.20 3ci2 h ALA 35 N 1.05 -0.94 -0.62 2.92 0.00 -0.91 0.12 119.26 120.89 3ci2 h ALA 35 Ca 0.18 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3ci2 h ALA 35 Cb 0.43 0.96 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 3ci2 h ALA 35 CO -0.45 -1.11 -0.08 0.87 0.00 0.00 0.00 179.25 178.49 3ci2 h LYS 36 N -0.65 0.05 -0.11 0.00 1.57 -0.21 0.28 116.57 117.50 3ci2 h LYS 36 Ca 0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3ci2 h LYS 36 Cb 0.71 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 3ci2 h LYS 36 CO -0.37 0.03 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.09 3ci2 h LYS 37 N 0.05 -0.30 0.50 3.15 3.64 -0.44 0.34 116.57 123.52 3ci2 h LYS 37 Ca 0.31 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 3ci2 h LYS 37 Cb 0.50 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3ci2 h LYS 37 CO -0.59 -0.20 -0.24 0.28 -2.27 0.00 0.00 179.45 176.43 3ci2 h VAL 38 N -0.31 0.50 -0.74 2.00 2.07 0.11 -0.81 116.25 119.06 3ci2 h VAL 38 Ca 0.10 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.68 3ci2 h VAL 38 Cb 0.45 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3ci2 h VAL 38 CO -0.29 0.01 0.36 0.40 0.02 0.00 0.00 177.57 178.06 3ci2 h ILE 39 N -0.71 0.79 -0.56 4.57 2.04 -0.26 0.35 117.51 123.72 3ci2 h ILE 39 Ca -0.07 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 3ci2 h ILE 39 Cb 0.54 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3ci2 h ILE 39 CO 0.11 0.10 0.06 -0.07 0.00 0.00 0.00 178.15 178.36 3ci2 h LEU 40 N 0.57 0.88 -0.26 1.44 3.38 -0.21 0.63 115.31 121.73 3ci2 h LEU 40 Ca 0.38 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3ci2 h LEU 40 Cb 0.47 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3ci2 h LEU 40 CO -0.31 0.90 0.09 -0.61 0.09 0.00 0.00 178.44 178.60 3ci2 h GLN 41 N 0.86 0.20 -0.17 1.13 4.15 0.11 0.17 115.11 121.57 3ci2 h GLN 41 Ca 0.17 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 3ci2 h GLN 41 Cb 0.43 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3ci2 h GLN 41 CO 0.01 0.13 -0.01 -0.44 -1.93 0.00 0.00 178.83 176.59 3ci2 h ASP 42 N 0.21 0.30 -2.28 -0.69 5.19 -0.84 -3.37 116.42 114.93 3ci2 h ASP 42 Ca 0.12 -0.33 -0.59 0.00 -0.62 0.00 0.00 57.03 55.60 3ci2 h ASP 42 Cb 0.08 -0.08 -0.41 0.00 0.18 0.00 0.00 39.33 39.10 3ci2 h ASP 42 CO -0.12 0.56 -0.70 1.17 -3.12 0.00 0.00 179.24 177.02 3ci2 n LYS 43 N -4.71 1.99 -0.03 3.56 4.81 0.22 -5.02 118.16 118.97 3ci2 n LYS 43 Ca -0.05 -4.31 0.00 0.00 -0.87 0.00 0.00 58.31 53.09 3ci2 n LYS 43 Cb 0.24 -2.04 0.01 0.00 0.02 0.00 0.00 35.03 33.26 3ci2 n LYS 43 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3ci2 n PRO 44 N 1.19 -0.01 -0.00 1.64 -0.02 0.60 -0.36 135.00 138.04 3ci2 n PRO 44 Ca 0.27 0.12 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 3ci2 n PRO 44 Cb 0.43 -0.18 0.81 0.00 -0.02 0.00 0.00 33.50 34.54 3ci2 n PRO 44 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ci2 n GLU 45 N -4.13 1.17 -1.56 -0.52 -0.00 -1.26 -4.86 120.64 109.49 3ci2 n GLU 45 Ca 0.01 -0.25 -0.18 0.00 -0.00 0.00 0.00 57.16 56.74 3ci2 n GLU 45 Cb 0.04 -1.48 -0.06 0.00 -0.00 0.00 0.00 31.44 29.94 3ci2 n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ci2 n ALA 46 N -0.68 0.44 -1.50 -1.84 0.00 0.52 -4.81 120.51 112.63 3ci2 n ALA 46 Ca 0.22 -1.29 -0.42 0.00 0.00 0.00 0.00 53.44 51.94 3ci2 n ALA 46 Cb 0.17 -3.27 -0.03 0.00 0.00 0.00 0.00 19.45 16.33 3ci2 n ALA 46 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ci2 n GLN 47 N 8.85 2.25 -2.40 0.00 7.27 0.39 -4.76 117.38 128.98 3ci2 n GLN 47 Ca 0.45 -2.29 -0.40 0.00 0.07 0.00 0.00 57.00 54.84 3ci2 n GLN 47 Cb 0.46 -3.14 -0.04 0.00 2.41 0.00 0.00 30.24 29.93 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3ci2 s ILE 48 N 4.14 3.34 0.17 1.69 1.01 -1.26 -4.20 121.20 126.09 3ci2 s ILE 48 Ca 0.52 1.28 0.08 0.00 0.00 0.00 0.00 60.65 62.53 3ci2 s ILE 48 Cb 0.14 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3ci2 s ILE 48 CO 0.01 0.25 -0.17 -0.63 0.00 0.00 0.00 174.94 174.41 3ci2 s ILE 49 N -1.25 1.75 -0.05 2.92 1.09 -1.20 -4.91 121.20 119.55 3ci2 s ILE 49 Ca 0.48 -1.98 -0.02 0.00 -1.10 0.00 0.00 60.65 58.03 3ci2 s ILE 49 Cb -0.32 -1.87 -0.04 0.00 -1.06 0.00 0.00 42.46 39.18 3ci2 s ILE 49 CO 0.41 -0.41 0.08 0.54 -0.10 0.00 0.00 174.94 175.46 3ci2 s VAL 50 N -2.32 4.83 -0.04 2.92 0.11 -1.26 -2.98 120.40 121.65 3ci2 s VAL 50 Ca 0.17 -0.21 -0.00 0.00 -2.93 0.00 0.00 61.98 59.00 3ci2 s VAL 50 Cb -0.04 -3.14 0.03 0.00 -1.53 0.00 0.00 36.38 31.69 3ci2 s VAL 50 CO 0.06 0.48 0.01 -0.76 -3.33 0.00 0.00 175.10 171.56 3ci2 s LEU 51 N -1.36 0.84 0.23 2.54 1.43 -0.46 -4.93 118.68 116.96 3ci2 s LEU 51 Ca 0.19 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 3ci2 s LEU 51 Cb -0.12 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 3ci2 s LEU 51 CO 0.09 -0.15 1.36 -2.16 0.23 0.00 0.00 176.35 175.72 3ci2 s PRO 52 N 1.48 4.34 -0.25 1.29 0.04 -1.26 -2.31 135.00 138.32 3ci2 s PRO 52 Ca -0.03 2.17 -0.42 0.00 0.04 0.00 0.00 61.00 62.76 3ci2 s PRO 52 Cb -0.13 -3.15 -0.18 0.00 0.04 0.00 0.00 34.50 31.08 3ci2 s PRO 52 CO -0.03 -0.32 1.52 0.28 0.04 0.00 0.00 177.00 178.50 3ci2 n VAL 53 N 2.36 0.11 0.00 -0.36 0.31 0.26 -1.59 118.33 119.41 3ci2 n VAL 53 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3ci2 n VAL 53 Cb 0.42 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 3ci2 n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ci2 n GLY 54 N 3.42 1.93 3.38 2.92 0.00 -1.26 -4.98 105.19 110.60 3ci2 n GLY 54 Ca 0.26 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 3ci2 n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ci2 n THR 55 N 0.00 0.00 -1.54 2.61 -1.04 -0.62 -4.76 114.28 108.93 3ci2 n THR 55 Ca 0.00 -0.41 -0.32 0.00 -2.04 0.00 0.00 64.05 61.28 3ci2 n THR 55 Cb 0.00 -0.76 -0.08 0.00 -1.82 0.00 0.00 70.33 67.67 3ci2 n THR 55 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3ci2 n ILE 56 N 6.53 -0.04 -2.83 12.58 2.08 -1.26 -4.87 119.36 131.55 3ci2 n ILE 56 Ca 0.40 -0.53 -0.14 0.00 0.56 0.00 0.00 62.75 63.04 3ci2 n ILE 56 Cb 0.36 -1.86 0.06 0.00 -0.75 0.00 0.00 39.64 37.45 3ci2 n ILE 56 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 3ci2 n VAL 57 N 7.81 0.00 -3.32 1.39 0.24 -1.26 -5.09 118.33 118.10 3ci2 n VAL 57 Ca 0.49 -1.22 -0.34 0.00 -2.04 0.00 0.00 64.34 61.23 3ci2 n VAL 57 Cb 0.37 -0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 3ci2 n VAL 57 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ci2 s THR 58 N -1.64 4.82 -0.31 3.34 -4.23 -1.26 -4.97 115.64 111.38 3ci2 s THR 58 Ca 0.43 0.79 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 3ci2 s THR 58 Cb -0.03 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 70.45 3ci2 s THR 58 CO 0.27 0.09 1.74 0.23 -0.54 0.00 0.00 174.62 176.41 3ci2 n MET 59 N 0.35 1.83 -0.06 3.99 2.81 -1.26 -4.86 117.12 119.92 3ci2 n MET 59 Ca -0.02 -1.81 0.00 0.00 -1.81 0.00 0.00 57.70 54.06 3ci2 n MET 59 Cb 0.52 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3ci2 n GLU 60 N -0.22 0.99 -3.20 0.03 0.28 -1.26 -5.10 120.64 112.16 3ci2 n GLU 60 Ca 0.35 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.13 3ci2 n GLU 60 Cb 0.93 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.74 3ci2 n GLU 60 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3ci2 n TYR 61 N -0.59 0.06 -2.20 -1.84 4.19 -1.26 -4.82 117.16 110.70 3ci2 n TYR 61 Ca 0.00 -3.67 -0.42 0.00 3.31 0.00 0.00 57.90 57.13 3ci2 n TYR 61 Cb 0.00 -0.38 0.00 0.00 0.49 0.00 0.00 39.34 39.45 3ci2 n TYR 61 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 3ci2 n ARG 62 N 1.05 3.92 0.00 2.98 3.00 -1.26 -4.80 116.66 121.55 3ci2 n ARG 62 Ca 0.23 -3.47 0.00 0.00 -0.00 0.00 0.00 57.85 54.61 3ci2 n ARG 62 Cb 0.56 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 30.18 3ci2 n ARG 62 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3ci2 n ILE 63 N 2.84 0.24 1.41 5.15 0.13 -1.26 -1.17 119.36 126.70 3ci2 n ILE 63 Ca 0.48 0.43 0.15 0.00 -1.10 0.00 0.00 62.75 62.70 3ci2 n ILE 63 Cb 0.32 -1.43 0.73 0.00 -0.84 0.00 0.00 39.64 38.42 3ci2 n ILE 63 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 3ci2 n ASP 64 N -1.00 0.08 -4.01 9.51 5.68 -1.26 -4.76 116.55 120.79 3ci2 n ASP 64 Ca 0.00 -0.20 -0.12 0.00 -0.50 0.00 0.00 54.79 53.97 3ci2 n ASP 64 Cb 0.37 -0.25 -0.12 0.00 -1.14 0.00 0.00 41.12 39.98 3ci2 n ASP 64 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3ci2 s ARG 65 N -2.57 0.41 -0.11 0.11 3.52 -0.32 0.15 118.95 120.13 3ci2 s ARG 65 Ca 0.28 -0.56 -0.06 0.00 -0.13 0.00 0.00 55.73 55.26 3ci2 s ARG 65 Cb 0.20 -0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 3ci2 s ARG 65 CO 0.47 0.03 0.11 0.08 -0.81 0.00 0.00 175.30 175.18 3ci2 s VAL 66 N -1.09 5.28 -0.25 7.11 1.01 -1.26 -1.00 120.40 130.20 3ci2 s VAL 66 Ca -0.09 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 3ci2 s VAL 66 Cb -0.08 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3ci2 s VAL 66 CO -0.00 0.61 0.64 -0.60 0.00 0.00 0.00 175.10 175.75 3ci2 s ARG 67 N -1.01 4.12 -0.70 2.72 6.06 0.62 -3.24 118.95 127.51 3ci2 s ARG 67 Ca 0.15 0.57 -0.03 0.00 -2.50 0.00 0.00 55.73 53.91 3ci2 s ARG 67 Cb -0.12 -3.65 0.18 0.00 0.06 0.00 0.00 34.95 31.42 3ci2 s ARG 67 CO 0.04 -0.41 0.53 -0.51 -2.50 0.00 0.00 175.30 172.45 3ci2 s LEU 68 N 2.50 5.40 -0.73 -0.88 1.43 -1.16 -2.31 118.68 122.92 3ci2 s LEU 68 Ca 0.27 -3.05 -0.26 0.00 -1.03 0.00 0.00 54.13 50.06 3ci2 s LEU 68 Cb -0.15 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.22 3ci2 s LEU 68 CO 0.08 -0.34 1.22 -0.36 0.23 0.00 0.00 176.35 177.18 3ci2 s PHE 69 N -0.35 2.38 0.45 0.29 0.08 -1.26 -1.36 117.98 118.21 3ci2 s PHE 69 Ca 0.19 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.14 3ci2 s PHE 69 Cb -0.17 -4.56 0.02 0.00 -0.57 0.00 0.00 43.02 37.75 3ci2 s PHE 69 CO -0.06 -1.98 0.60 0.14 -0.10 0.00 0.00 175.22 173.83 3ci2 s VAL 70 N 5.35 2.84 0.00 -0.44 -7.23 -0.98 -2.12 120.40 117.82 3ci2 s VAL 70 Ca 0.33 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 3ci2 s VAL 70 Cb -0.10 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 34.00 3ci2 s VAL 70 CO 0.13 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.02 3ci2 n ASP 71 N -1.91 0.00 -1.04 4.85 5.75 0.21 0.91 116.55 125.32 3ci2 n ASP 71 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.97 3ci2 n ASP 71 Cb 0.60 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.95 3ci2 n ASP 71 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ci2 n LYS 72 N 0.00 2.32 -1.72 0.11 4.76 -1.26 -3.82 118.16 118.54 3ci2 n LYS 72 Ca 0.00 -2.03 0.02 0.00 -2.87 0.00 0.00 58.31 53.44 3ci2 n LYS 72 Cb 0.00 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.77 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3ci2 n LEU 73 N 1.17 1.39 -3.36 -0.35 4.77 -1.26 -5.01 117.00 114.36 3ci2 n LEU 73 Ca 0.19 -2.48 -0.24 0.00 -0.03 0.00 0.00 56.01 53.45 3ci2 n LEU 73 Cb 0.50 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3ci2 n LEU 73 CO 0.14 0.74 -0.13 -0.90 -1.33 0.00 0.00 177.39 175.92 3ci2 n ASP 74 N 0.08 -0.80 -4.57 -1.43 5.75 -1.25 -4.90 116.55 109.42 3ci2 n ASP 74 Ca 0.09 -0.75 -0.29 0.00 -0.01 0.00 0.00 54.79 53.83 3ci2 n ASP 74 Cb 1.03 -0.95 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3ci2 s ASN 75 N -2.59 4.34 -0.29 -1.12 0.01 -1.26 -0.44 114.94 113.59 3ci2 s ASN 75 Ca 0.41 -0.45 -0.28 0.00 -0.71 0.00 0.00 52.86 51.83 3ci2 s ASN 75 Cb -0.24 -0.79 0.01 0.00 0.41 0.00 0.00 41.25 40.64 3ci2 s ASN 75 CO 0.61 0.15 1.03 -0.63 -1.51 0.00 0.00 177.10 176.75 3ci2 s ILE 76 N -1.37 4.59 -0.18 0.60 1.01 0.19 0.65 121.20 126.69 3ci2 s ILE 76 Ca 0.22 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.68 3ci2 s ILE 76 Cb -0.10 -4.35 -0.13 0.00 0.01 0.00 0.00 42.46 37.88 3ci2 s ILE 76 CO 0.14 -0.36 -0.14 0.00 0.00 0.00 0.00 174.94 174.58 3ci2 n ALA 77 N 6.62 1.60 -2.54 9.38 0.00 -1.20 -1.72 120.51 132.64 3ci2 n ALA 77 Ca 0.11 -0.83 -0.26 0.00 0.00 0.00 0.00 53.44 52.46 3ci2 n ALA 77 Cb 0.47 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 3ci2 n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ci2 s GLN 78 N -2.38 1.95 0.43 0.00 1.11 -0.90 -5.05 119.66 114.83 3ci2 s GLN 78 Ca -0.23 -1.40 -0.22 0.00 0.01 0.00 0.00 55.36 53.51 3ci2 s GLN 78 Cb 0.06 -2.05 -0.09 0.00 -1.01 0.00 0.00 33.01 29.92 3ci2 s GLN 78 CO 0.46 0.40 1.04 0.08 0.01 0.00 0.00 175.29 177.28 3ci2 s VAL 79 N -1.89 3.79 0.27 1.09 1.01 -1.26 -4.70 120.40 118.71 3ci2 s VAL 79 Ca 0.26 1.26 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 3ci2 s VAL 79 Cb -0.08 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 3ci2 s VAL 79 CO 0.15 -0.10 1.14 -2.84 0.00 0.00 0.00 175.10 173.45 3ci2 s PRO 80 N -2.81 4.58 0.03 2.72 0.02 -1.26 -4.74 135.00 133.54 3ci2 s PRO 80 Ca 0.62 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 63.49 3ci2 s PRO 80 Cb -0.19 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 3ci2 s PRO 80 CO 0.24 0.12 0.02 -0.98 -0.33 0.00 0.00 177.00 176.06 3ci2 s ARG 81 N -1.34 0.46 0.07 5.54 1.04 -0.98 -0.51 118.95 123.23 3ci2 s ARG 81 Ca 0.46 -0.75 -0.28 0.00 -1.04 0.00 0.00 55.73 54.12 3ci2 s ARG 81 Cb -0.33 0.17 -0.05 0.00 -2.04 0.00 0.00 34.95 32.69 3ci2 s ARG 81 CO 0.42 -0.09 0.88 0.08 -0.04 0.00 0.00 175.30 176.55 3ci2 s VAL 82 N -2.24 4.64 0.00 4.99 1.01 0.12 -0.28 120.40 128.63 3ci2 s VAL 82 Ca -0.08 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.77 3ci2 s VAL 82 Cb -0.04 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3ci2 s VAL 82 CO -0.03 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.00