#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 0.03 -1.19 1.47 4.81 -1.26 -4.37 118.16 117.66 3ci2 n LYS 21 Ca 0.00 -1.13 -0.15 0.00 -0.87 0.00 0.00 58.31 56.17 3ci2 n LYS 21 Cb 0.00 -2.83 0.14 0.00 0.02 0.00 0.00 35.03 32.36 3ci2 n LYS 21 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3ci2 n THR 22 N 7.38 2.75 -3.98 3.15 -2.24 -1.26 -4.88 114.28 115.20 3ci2 n THR 22 Ca 0.40 -3.09 -0.09 0.00 -2.27 0.00 0.00 64.05 59.01 3ci2 n THR 22 Cb 0.43 -0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.43 0.57 -0.38 -0.78 4.04 -1.26 0.38 118.70 117.84 3ci2 s GLU 23 Ca 0.50 -0.89 0.11 0.00 0.04 0.00 0.00 54.97 54.73 3ci2 s GLU 23 Cb 0.43 0.22 0.32 0.00 0.02 0.00 0.00 34.13 35.11 3ci2 s GLU 23 CO 0.01 -0.13 0.69 0.91 -1.84 0.00 0.00 175.26 174.89 3ci2 n TRP 24 N 0.63 -0.09 0.21 4.83 8.01 -0.13 -4.91 117.44 125.99 3ci2 n TRP 24 Ca -0.18 -3.68 0.08 0.00 -1.31 0.00 0.00 57.50 52.41 3ci2 n TRP 24 Cb 0.59 -0.32 0.39 0.00 -2.01 0.00 0.00 31.31 29.96 3ci2 n TRP 24 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 3ci2 n PRO 25 N 0.60 0.10 0.23 -0.99 -0.04 -1.26 -0.55 135.00 133.09 3ci2 n PRO 25 Ca 0.23 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 3ci2 n PRO 25 Cb 0.63 -1.77 0.29 0.00 -0.04 0.00 0.00 33.50 32.60 3ci2 n PRO 25 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ci2 h GLU 26 N 0.00 0.00 0.00 0.54 3.07 -1.98 -3.21 114.58 113.00 3ci2 h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ci2 h GLU 26 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3ci2 h GLU 26 CO 0.00 0.04 -0.73 -0.07 -1.40 0.00 0.00 179.01 176.85 3ci2 h LEU 27 N 0.00 0.00 -9.32 1.33 3.38 -1.25 -3.47 115.31 105.98 3ci2 h LEU 27 Ca -0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 3ci2 h LEU 27 Cb 0.90 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.71 3ci2 h LEU 27 CO 0.00 0.01 0.49 0.52 0.09 0.00 0.00 178.44 179.55 3ci2 n VAL 28 N -2.74 0.11 0.00 1.22 0.31 -1.21 -0.41 118.33 115.61 3ci2 n VAL 28 Ca 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3ci2 n VAL 28 Cb 0.54 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 2.60 0.32 3.73 2.92 0.00 0.38 -4.93 105.19 110.21 3ci2 n GLY 29 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.99 2.52 0.76 1.61 -0.14 0.45 -4.70 119.74 119.26 3ci2 s LYS 30 Ca 0.00 -1.34 -0.11 0.00 -1.36 0.00 0.00 55.97 53.16 3ci2 s LYS 30 Cb 0.00 -2.30 0.05 0.00 -1.68 0.00 0.00 37.83 33.90 3ci2 s LYS 30 CO 0.00 0.29 1.08 -1.54 -0.76 0.00 0.00 175.35 174.42 3ci2 s SER 31 N -3.79 4.79 0.10 2.83 1.04 -1.26 0.04 113.70 117.45 3ci2 s SER 31 Ca 0.34 1.46 -0.20 0.00 0.48 0.00 0.00 55.95 58.04 3ci2 s SER 31 Cb -0.06 -2.25 -0.08 0.00 0.10 0.00 0.00 66.02 63.74 3ci2 s SER 31 CO 0.23 -1.80 1.65 1.62 0.98 0.00 0.00 173.24 175.92 3ci2 h VAL 32 N -0.97 1.15 -0.20 5.02 3.04 -1.89 0.22 116.25 122.62 3ci2 h VAL 32 Ca -0.46 -0.46 -0.11 0.00 -1.01 0.00 0.00 66.70 64.67 3ci2 h VAL 32 Cb 1.24 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 3ci2 h VAL 32 CO 0.58 0.15 -0.34 -0.33 -1.01 0.00 0.00 177.57 176.61 3ci2 h GLU 33 N 0.20 0.42 0.10 4.17 4.39 -1.93 0.89 114.58 122.82 3ci2 h GLU 33 Ca 0.07 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3ci2 h GLU 33 Cb 0.15 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3ci2 h GLU 33 CO -0.01 0.71 -0.05 1.49 -1.16 0.00 0.00 179.01 180.00 3ci2 h GLU 34 N 0.36 -0.12 -0.50 2.33 4.22 -1.82 -2.54 114.58 116.51 3ci2 h GLU 34 Ca 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.47 3ci2 h GLU 34 Cb 0.78 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3ci2 h GLU 34 CO 0.06 0.05 0.24 0.00 -2.18 0.00 0.00 179.01 177.18 3ci2 h ALA 35 N 0.61 0.64 -0.69 2.92 0.00 -0.37 -2.88 119.26 119.49 3ci2 h ALA 35 Ca -0.01 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3ci2 h ALA 35 Cb 0.23 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.69 3ci2 h ALA 35 CO 0.02 0.21 -0.20 0.87 0.00 0.00 0.00 179.25 180.15 3ci2 h LYS 36 N 0.66 -0.02 -0.42 0.00 1.57 -0.67 0.20 116.57 117.89 3ci2 h LYS 36 Ca 0.17 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.03 3ci2 h LYS 36 Cb 0.12 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.34 3ci2 h LYS 36 CO -0.02 -0.01 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.31 3ci2 h LYS 37 N -0.02 -0.22 -0.17 3.15 3.64 -1.23 0.17 116.57 121.88 3ci2 h LYS 37 Ca 0.33 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3ci2 h LYS 37 Cb 0.52 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3ci2 h LYS 37 CO -0.72 -0.15 0.01 0.28 -2.27 0.00 0.00 179.45 176.60 3ci2 h VAL 38 N -0.23 1.24 -0.12 2.00 2.07 -1.00 -2.89 116.25 117.32 3ci2 h VAL 38 Ca 0.18 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3ci2 h VAL 38 Cb 0.53 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3ci2 h VAL 38 CO -0.55 0.24 -0.24 0.40 0.02 0.00 0.00 177.57 177.43 3ci2 h ILE 39 N 0.06 0.42 0.00 4.57 2.04 0.06 0.26 117.51 124.91 3ci2 h ILE 39 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3ci2 h ILE 39 Cb 0.35 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3ci2 h ILE 39 CO 0.01 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 178.17 3ci2 h LEU 40 N -0.32 0.00 -0.54 1.44 3.38 -0.68 0.61 115.31 119.21 3ci2 h LEU 40 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3ci2 h LEU 40 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3ci2 h LEU 40 CO -0.30 0.00 -0.46 -0.61 0.09 0.00 0.00 178.44 177.16 3ci2 h GLN 41 N 0.00 0.00 0.00 1.13 -0.00 -0.28 -2.92 115.11 113.04 3ci2 h GLN 41 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.41 3ci2 h GLN 41 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.62 3ci2 h GLN 41 CO 0.00 0.46 -1.61 -3.47 0.00 0.00 0.00 178.83 174.21 3ci2 n ASP 42 N -3.40 1.91 -2.74 -0.69 2.03 0.17 -4.75 116.55 109.07 3ci2 n ASP 42 Ca 0.01 0.40 -0.28 0.00 0.52 0.00 0.00 54.79 55.44 3ci2 n ASP 42 Cb 0.62 -0.84 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 3ci2 n ASP 42 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3ci2 n LYS 43 N -4.39 3.38 0.00 -0.67 3.00 0.15 -4.98 118.16 114.65 3ci2 n LYS 43 Ca -0.33 -4.66 0.00 0.00 -0.00 0.00 0.00 58.31 53.32 3ci2 n LYS 43 Cb 0.67 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.44 3ci2 n LYS 43 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3ci2 n PRO 44 N -0.36 0.00 0.21 1.64 -0.02 -1.10 -0.21 135.00 135.16 3ci2 n PRO 44 Ca 0.36 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3ci2 n PRO 44 Cb 0.51 0.00 0.63 0.00 -0.02 0.00 0.00 33.50 34.61 3ci2 n PRO 44 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ci2 h GLU 45 N 0.00 0.05 -5.00 -0.52 5.08 -1.90 -3.44 114.58 108.85 3ci2 h GLU 45 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ci2 h GLU 45 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ci2 h GLU 45 CO 0.00 0.03 0.82 0.00 -1.00 0.00 0.00 179.01 178.86 3ci2 n ALA 46 N -2.54 0.32 -2.05 3.43 0.00 0.71 -4.56 120.51 115.81 3ci2 n ALA 46 Ca -0.01 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 3ci2 n ALA 46 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 4.13 2.79 -2.42 0.00 7.27 0.16 -4.70 117.38 124.60 3ci2 n GLN 47 Ca 0.00 -2.80 -0.39 0.00 0.07 0.00 0.00 57.00 53.87 3ci2 n GLN 47 Cb 0.41 -3.38 -0.04 0.00 2.41 0.00 0.00 30.24 29.65 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 4.36 3.39 0.42 1.69 1.01 -1.26 -4.62 121.20 126.18 3ci2 s ILE 48 Ca 0.52 1.29 0.08 0.00 0.00 0.00 0.00 60.65 62.54 3ci2 s ILE 48 Cb 0.09 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3ci2 s ILE 48 CO 0.01 0.23 0.34 -0.63 0.00 0.00 0.00 174.94 174.89 3ci2 s ILE 49 N -1.30 2.54 -0.19 2.92 -1.09 -1.26 -5.00 121.20 117.82 3ci2 s ILE 49 Ca 0.50 -1.42 -0.25 0.00 -2.23 0.00 0.00 60.65 57.24 3ci2 s ILE 49 Cb -0.31 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 3ci2 s ILE 49 CO 0.39 0.00 0.85 -0.69 -1.23 0.00 0.00 174.94 174.26 3ci2 s VAL 50 N -2.51 4.86 -0.72 2.92 1.01 -1.26 -4.53 120.40 120.16 3ci2 s VAL 50 Ca 0.46 1.65 0.04 0.00 0.00 0.00 0.00 61.98 64.14 3ci2 s VAL 50 Cb -0.02 -4.15 0.20 0.00 0.00 0.00 0.00 36.38 32.41 3ci2 s VAL 50 CO 0.27 -0.01 0.61 0.18 0.00 0.00 0.00 175.10 176.15 3ci2 n LEU 51 N 5.47 3.42 -4.62 3.92 4.77 -1.19 -5.05 117.00 123.72 3ci2 n LEU 51 Ca 0.05 -5.26 -0.50 0.00 -0.03 0.00 0.00 56.01 50.27 3ci2 n LEU 51 Cb 0.48 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3ci2 n LEU 51 CO 0.48 1.81 1.01 -0.81 -1.33 0.00 0.00 177.39 178.55 3ci2 n PRO 52 N 1.71 1.51 -1.51 3.23 -0.04 -1.26 -1.03 135.00 137.61 3ci2 n PRO 52 Ca 0.23 0.55 -0.58 0.00 -0.04 0.00 0.00 63.50 63.65 3ci2 n PRO 52 Cb 0.37 -2.23 -0.08 0.00 -0.04 0.00 0.00 33.50 31.52 3ci2 n PRO 52 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ci2 n VAL 53 N 2.87 0.07 0.00 0.52 0.31 0.40 -1.57 118.33 120.92 3ci2 n VAL 53 Ca 0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3ci2 n VAL 53 Cb 0.23 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.62 2.80 3.18 2.92 0.00 -1.26 -5.01 105.19 109.44 3ci2 n GLY 54 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 0.00 -2.96 2.61 -1.04 -0.61 -4.96 114.28 107.25 3ci2 n THR 55 Ca 0.00 -0.31 -0.40 0.00 -2.04 0.00 0.00 64.05 61.30 3ci2 n THR 55 Cb 0.00 -0.29 -0.05 0.00 -1.82 0.00 0.00 70.33 68.17 3ci2 n THR 55 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3ci2 s ILE 56 N -2.17 4.57 0.00 12.58 -1.09 -1.26 -4.96 121.20 128.87 3ci2 s ILE 56 Ca 0.47 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.59 3ci2 s ILE 56 Cb -0.15 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 3ci2 s ILE 56 CO 0.74 0.42 0.00 1.33 -1.23 0.00 0.00 174.94 176.20 3ci2 n VAL 57 N 2.34 0.00 -2.76 2.92 0.24 -1.26 -5.06 118.33 114.76 3ci2 n VAL 57 Ca -0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 3ci2 n VAL 57 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 3ci2 n VAL 57 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ci2 s THR 58 N -0.94 4.28 0.00 3.34 2.01 -1.26 -4.70 115.64 118.38 3ci2 s THR 58 Ca 0.00 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3ci2 s THR 58 Cb 0.00 -4.86 0.00 0.00 0.01 0.00 0.00 72.50 67.65 3ci2 s THR 58 CO 0.00 -1.67 0.00 0.80 -0.69 0.00 0.00 174.62 173.06 3ci2 n MET 59 N 7.83 0.00 -0.07 4.92 1.56 -1.26 -5.05 117.12 125.05 3ci2 n MET 59 Ca 0.18 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.61 3ci2 n MET 59 Cb 0.49 -0.01 0.00 0.00 2.15 0.00 0.00 33.22 35.85 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3ci2 n GLU 60 N -0.43 0.31 -3.18 2.12 0.28 -1.26 -4.99 120.64 113.49 3ci2 n GLU 60 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 3ci2 n GLU 60 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 3ci2 n GLU 60 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3ci2 s TYR 61 N -0.62 3.26 -1.44 -1.84 6.14 -1.26 -4.90 117.35 116.70 3ci2 s TYR 61 Ca 0.00 -1.36 -0.11 0.00 0.64 0.00 0.00 57.07 56.25 3ci2 s TYR 61 Cb 0.00 -3.96 0.05 0.00 0.42 0.00 0.00 41.96 38.47 3ci2 s TYR 61 CO 0.00 -1.19 2.34 0.54 0.64 0.00 0.00 175.55 177.88 3ci2 n ARG 62 N 5.54 3.49 0.20 4.97 3.00 -1.26 -4.50 116.66 128.10 3ci2 n ARG 62 Ca 0.00 -2.85 0.09 0.00 -0.01 0.00 0.00 57.85 55.08 3ci2 n ARG 62 Cb 0.44 -2.99 0.32 0.00 0.00 0.00 0.00 32.46 30.23 3ci2 n ARG 62 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3ci2 h ILE 63 N 3.50 0.53 0.00 0.55 6.09 -1.88 -2.44 117.51 123.86 3ci2 h ILE 63 Ca 0.62 -1.36 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 3ci2 h ILE 63 Cb 0.50 1.96 0.00 0.00 0.47 0.00 0.00 36.82 39.75 3ci2 h ILE 63 CO 1.75 0.25 0.00 -0.90 -3.07 0.00 0.00 178.15 176.18 3ci2 n ASP 64 N -3.29 0.00 -3.64 2.19 5.68 -1.26 -4.67 116.55 111.55 3ci2 n ASP 64 Ca 0.01 -1.36 -0.16 0.00 -0.50 0.00 0.00 54.79 52.79 3ci2 n ASP 64 Cb 0.52 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.42 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 -2.00 0.85 -0.14 0.11 3.52 -0.92 0.36 118.95 120.73 3ci2 s ARG 65 Ca 0.14 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.83 3ci2 s ARG 65 Cb 0.07 0.39 -0.00 0.00 -1.56 0.00 0.00 34.95 33.85 3ci2 s ARG 65 CO 0.11 -0.25 -0.17 0.08 -0.81 0.00 0.00 175.30 174.26 3ci2 s VAL 66 N -1.16 2.53 -0.46 7.11 1.01 -1.26 -4.08 120.40 124.08 3ci2 s VAL 66 Ca -0.12 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 3ci2 s VAL 66 Cb -0.03 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 3ci2 s VAL 66 CO 0.07 0.53 2.37 0.54 0.00 0.00 0.00 175.10 178.60 3ci2 n ARG 67 N 3.93 1.15 -3.30 2.72 1.74 0.19 -4.56 116.66 118.54 3ci2 n ARG 67 Ca -0.19 0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 3ci2 n ARG 67 Cb 0.52 -3.02 -0.03 0.00 -1.02 0.00 0.00 32.46 28.91 3ci2 n ARG 67 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ci2 n LEU 68 N 13.36 5.22 -4.59 0.55 4.32 -1.26 -3.56 117.00 131.03 3ci2 n LEU 68 Ca 0.39 -5.21 -0.42 0.00 -0.02 0.00 0.00 56.01 50.75 3ci2 n LEU 68 Cb 0.41 -1.15 -0.02 0.00 -1.62 0.00 0.00 43.42 41.04 3ci2 n LEU 68 CO 0.73 1.67 1.35 -0.36 -1.22 0.00 0.00 177.39 179.57 3ci2 s PHE 69 N -2.14 2.16 0.42 -1.77 0.08 -1.25 -3.17 117.98 112.31 3ci2 s PHE 69 Ca 0.32 0.64 0.08 0.00 0.12 0.00 0.00 56.93 58.08 3ci2 s PHE 69 Cb 0.01 -4.26 -0.01 0.00 -0.57 0.00 0.00 43.02 38.19 3ci2 s PHE 69 CO -0.01 -2.28 0.41 0.14 -0.10 0.00 0.00 175.22 173.38 3ci2 s VAL 70 N 6.18 2.67 0.00 -0.44 -7.23 -0.20 -1.28 120.40 120.10 3ci2 s VAL 70 Ca 0.66 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 3ci2 s VAL 70 Cb -0.16 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.82 3ci2 s VAL 70 CO 0.31 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.20 3ci2 n ASP 71 N -1.60 0.00 0.03 4.85 5.75 -0.14 0.15 116.55 125.59 3ci2 n ASP 71 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.95 3ci2 n ASP 71 Cb 0.61 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.12 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 0.10 -2.74 0.11 4.76 -1.26 -3.84 118.16 115.29 3ci2 n LYS 72 Ca 0.00 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 3ci2 n LYS 72 Cb 0.00 -1.60 0.01 0.00 -1.84 0.00 0.00 35.03 31.61 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 3ci2 n LEU 73 N -1.76 1.89 -0.47 -0.35 -0.00 -1.26 -4.98 117.00 110.06 3ci2 n LEU 73 Ca 0.06 -4.23 0.00 0.00 -0.00 0.00 0.00 56.01 51.84 3ci2 n LEU 73 Cb 0.37 0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 3ci2 n LEU 73 CO 0.31 1.82 0.00 -0.67 -0.00 0.00 0.00 177.39 178.85 3ci2 n ASP 74 N -0.06 0.00 -4.80 1.45 2.03 -1.25 -4.90 116.55 109.02 3ci2 n ASP 74 Ca 0.17 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.12 3ci2 n ASP 74 Cb 0.75 -0.44 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3ci2 s ASN 75 N -0.47 6.33 -0.20 1.67 0.01 -1.26 -2.86 114.94 118.16 3ci2 s ASN 75 Ca 0.00 0.38 -0.36 0.00 -0.71 0.00 0.00 52.86 52.17 3ci2 s ASN 75 Cb 0.00 -2.10 -0.13 0.00 0.41 0.00 0.00 41.25 39.44 3ci2 s ASN 75 CO 0.00 0.27 1.91 -0.38 -1.51 0.00 0.00 177.10 177.39 3ci2 n ILE 76 N 2.82 0.42 -0.11 0.60 5.41 0.11 -0.97 119.36 127.64 3ci2 n ILE 76 Ca -0.17 -0.13 -0.15 0.00 1.00 0.00 0.00 62.75 63.30 3ci2 n ILE 76 Cb 0.53 -1.66 -0.11 0.00 -0.71 0.00 0.00 39.64 37.70 3ci2 n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ci2 n ALA 77 N 7.01 1.51 -2.60 -1.39 0.00 -0.40 -0.47 120.51 124.17 3ci2 n ALA 77 Ca 0.27 -0.99 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 3ci2 n ALA 77 Cb 0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 3ci2 n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ci2 s GLN 78 N -2.46 2.17 0.36 0.00 0.74 -1.16 -4.99 119.66 114.32 3ci2 s GLN 78 Ca -0.29 -1.50 -0.25 0.00 0.05 0.00 0.00 55.36 53.37 3ci2 s GLN 78 Cb 0.08 -2.08 -0.09 0.00 1.10 0.00 0.00 33.01 32.02 3ci2 s GLN 78 CO 0.55 0.35 1.02 0.08 -0.55 0.00 0.00 175.29 176.73 3ci2 s VAL 79 N -2.37 3.88 0.47 1.34 1.01 -1.26 -4.70 120.40 118.77 3ci2 s VAL 79 Ca 0.31 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.61 3ci2 s VAL 79 Cb -0.06 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 3ci2 s VAL 79 CO 0.19 0.07 0.99 -2.84 0.00 0.00 0.00 175.10 173.51 3ci2 s PRO 80 N -2.27 4.00 0.06 2.72 0.02 -1.25 -4.84 135.00 133.43 3ci2 s PRO 80 Ca 0.54 1.14 -0.18 0.00 0.02 0.00 0.00 61.00 62.52 3ci2 s PRO 80 Cb -0.21 -2.14 0.04 0.00 0.02 0.00 0.00 34.50 32.20 3ci2 s PRO 80 CO 0.27 -0.23 0.42 0.50 -0.33 0.00 0.00 177.00 177.63 3ci2 s ARG 81 N -3.45 0.96 0.00 5.54 3.52 -1.23 -0.95 118.95 123.33 3ci2 s ARG 81 Ca 0.63 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 3ci2 s ARG 81 Cb -0.11 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 3ci2 s ARG 81 CO 0.20 -0.34 0.07 0.28 -0.81 0.00 0.00 175.30 174.70 3ci2 n VAL 82 N 0.35 0.00 -0.31 7.11 0.31 0.16 0.58 118.33 126.53 3ci2 n VAL 82 Ca -0.18 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ci2 n VAL 82 Cb 0.61 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3ci2 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12