#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 1.97 -0.59 3.23 3.00 -1.26 -4.85 118.16 119.66 3ci2 n LYS 21 Ca 0.00 -3.99 0.02 0.00 -0.00 0.00 0.00 58.31 54.35 3ci2 n LYS 21 Cb 0.00 -1.90 0.22 0.00 0.00 0.00 0.00 35.03 33.35 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 0.01 2.40 -4.07 3.15 -2.24 -1.26 -4.77 114.28 107.50 3ci2 n THR 22 Ca 0.27 -2.30 -0.13 0.00 -2.27 0.00 0.00 64.05 59.61 3ci2 n THR 22 Cb 0.57 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.03 0.43 -0.49 -0.78 1.03 -1.26 0.21 118.70 114.80 3ci2 s GLU 23 Ca 0.43 -0.50 0.08 0.00 0.03 0.00 0.00 54.97 55.01 3ci2 s GLU 23 Cb 0.37 -0.26 0.32 0.00 -0.80 0.00 0.00 34.13 33.76 3ci2 s GLU 23 CO 0.04 0.05 0.78 0.91 -1.33 0.00 0.00 175.26 175.72 3ci2 n TRP 24 N 2.08 2.00 -0.33 4.83 8.01 -0.20 -4.92 117.44 128.92 3ci2 n TRP 24 Ca -0.19 -3.90 0.10 0.00 -1.31 0.00 0.00 57.50 52.21 3ci2 n TRP 24 Cb 0.56 -0.46 0.31 0.00 -2.01 0.00 0.00 31.31 29.72 3ci2 n TRP 24 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3ci2 h PRO 25 N 3.29 0.81 -0.90 -0.99 0.11 -1.92 -0.20 132.00 132.21 3ci2 h PRO 25 Ca 0.12 -0.05 0.26 0.00 0.11 0.00 0.00 66.00 66.44 3ci2 h PRO 25 Cb 0.74 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 3ci2 h PRO 25 CO 0.66 0.54 0.72 0.93 -0.21 0.00 0.00 178.00 180.63 3ci2 h GLU 26 N 0.84 0.00 0.00 1.05 3.07 -1.99 0.11 114.58 117.66 3ci2 h GLU 26 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3ci2 h GLU 26 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3ci2 h GLU 26 CO -0.27 0.00 0.00 -0.07 -1.40 0.00 0.00 179.01 177.27 3ci2 h LEU 27 N 0.00 0.00 -9.42 1.33 3.38 -1.43 -3.46 115.31 105.71 3ci2 h LEU 27 Ca 0.43 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.78 3ci2 h LEU 27 Cb 1.86 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.71 3ci2 h LEU 27 CO -0.00 0.00 0.23 0.52 0.09 0.00 0.00 178.44 179.28 3ci2 n VAL 28 N -3.10 1.43 -0.07 1.22 0.31 0.37 -0.05 118.33 118.43 3ci2 n VAL 28 Ca 0.04 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3ci2 n VAL 28 Cb 0.53 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 1.66 2.17 3.86 2.92 0.00 -0.10 -4.91 105.19 110.78 3ci2 n GLY 29 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.23 2.65 0.57 1.61 -0.14 0.92 -4.71 119.74 120.40 3ci2 s LYS 30 Ca 0.00 -1.39 -0.04 0.00 -1.36 0.00 0.00 55.97 53.18 3ci2 s LYS 30 Cb 0.00 -2.44 0.01 0.00 -1.68 0.00 0.00 37.83 33.73 3ci2 s LYS 30 CO 0.00 -0.02 0.85 -1.54 -0.76 0.00 0.00 175.35 173.88 3ci2 s SER 31 N -4.05 5.53 0.08 2.83 1.04 -1.26 0.45 113.70 118.32 3ci2 s SER 31 Ca 0.44 0.51 -0.24 0.00 0.48 0.00 0.00 55.95 57.14 3ci2 s SER 31 Cb -0.05 -1.51 -0.16 0.00 0.10 0.00 0.00 66.02 64.40 3ci2 s SER 31 CO 0.27 -1.05 1.69 1.62 0.98 0.00 0.00 173.24 176.75 3ci2 h VAL 32 N -0.07 0.98 -0.37 5.02 3.04 -1.61 0.83 116.25 124.07 3ci2 h VAL 32 Ca -0.45 -0.10 -0.12 0.00 -1.01 0.00 0.00 66.70 65.02 3ci2 h VAL 32 Cb 1.27 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 3ci2 h VAL 32 CO 0.59 0.02 -0.26 -0.33 -1.01 0.00 0.00 177.57 176.58 3ci2 h GLU 33 N -0.11 0.76 0.05 4.17 4.39 -1.96 0.13 114.58 122.02 3ci2 h GLU 33 Ca -0.01 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3ci2 h GLU 33 Cb 0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3ci2 h GLU 33 CO 0.01 0.94 -0.07 0.93 -1.16 0.00 0.00 179.01 179.67 3ci2 h GLU 34 N 0.66 -0.14 -0.05 2.33 3.07 -1.96 0.72 114.58 119.21 3ci2 h GLU 34 Ca 0.08 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.98 3ci2 h GLU 34 Cb 0.78 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.66 3ci2 h GLU 34 CO 0.06 -0.09 -0.50 0.00 -1.40 0.00 0.00 179.01 177.08 3ci2 h ALA 35 N 0.80 -0.83 -0.68 3.43 0.00 -0.47 -0.35 119.26 121.15 3ci2 h ALA 35 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.98 3ci2 h ALA 35 Cb 0.14 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 3ci2 h ALA 35 CO -0.03 -1.06 -0.33 -0.22 0.00 0.00 0.00 179.25 177.61 3ci2 h LYS 36 N -0.61 -0.11 -0.06 0.00 3.64 -0.38 0.46 116.57 119.51 3ci2 h LYS 36 Ca 0.03 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3ci2 h LYS 36 Cb 0.69 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 3ci2 h LYS 36 CO -0.38 -0.08 -0.26 0.87 -2.27 0.00 0.00 179.45 177.34 3ci2 h LYS 37 N -0.12 -0.35 0.21 1.90 1.57 -0.12 0.73 116.57 120.38 3ci2 h LYS 37 Ca 0.27 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3ci2 h LYS 37 Cb 0.56 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3ci2 h LYS 37 CO -0.75 -0.23 -0.12 0.28 -0.57 0.00 0.00 179.45 178.06 3ci2 h VAL 38 N -0.36 0.75 -0.22 0.50 2.07 0.93 -2.17 116.25 117.75 3ci2 h VAL 38 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 3ci2 h VAL 38 Cb 0.48 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3ci2 h VAL 38 CO -0.26 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.61 3ci2 h ILE 39 N -0.31 0.64 0.00 4.57 2.04 -0.02 0.41 117.51 124.85 3ci2 h ILE 39 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3ci2 h ILE 39 Cb 0.25 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3ci2 h ILE 39 CO 0.03 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.36 3ci2 n LEU 40 N -5.28 0.53 0.20 1.44 4.77 0.23 -0.02 117.00 118.87 3ci2 n LEU 40 Ca -0.01 0.69 0.10 0.00 -0.03 0.00 0.00 56.01 56.75 3ci2 n LEU 40 Cb 0.19 -0.69 0.13 0.00 -2.33 0.00 0.00 43.42 40.73 3ci2 n LEU 40 CO 0.20 -0.72 0.71 -0.61 -1.33 0.00 0.00 177.39 175.65 3ci2 h GLN 41 N 0.00 0.00 0.00 3.23 -0.00 0.47 -3.36 115.11 115.46 3ci2 h GLN 41 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.34 3ci2 h GLN 41 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.60 3ci2 h GLN 41 CO 0.00 0.11 -1.89 -0.25 0.00 0.00 0.00 178.83 176.80 3ci2 n ASP 42 N -3.12 1.92 -3.61 -0.69 8.00 0.93 -4.88 116.55 115.12 3ci2 n ASP 42 Ca 0.03 0.38 -0.29 0.00 0.71 0.00 0.00 54.79 55.62 3ci2 n ASP 42 Cb 0.58 -0.85 -0.08 0.00 -0.02 0.00 0.00 41.12 40.75 3ci2 n ASP 42 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ci2 n LYS 43 N -4.35 2.49 0.00 -1.24 3.00 0.97 -5.01 118.16 114.02 3ci2 n LYS 43 Ca -0.41 -4.62 0.00 0.00 -0.00 0.00 0.00 58.31 53.29 3ci2 n LYS 43 Cb 0.75 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.49 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 1.21 0.00 0.23 1.64 -0.02 -1.26 -0.22 135.00 136.58 3ci2 n PRO 44 Ca 0.27 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3ci2 n PRO 44 Cb 0.39 0.00 0.46 0.00 -0.02 0.00 0.00 33.50 34.33 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 0.00 -5.01 -0.52 3.07 -1.92 -3.45 114.58 106.75 3ci2 h GLU 45 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3ci2 h GLU 45 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3ci2 h GLU 45 CO 0.00 0.20 0.94 0.00 -1.40 0.00 0.00 179.01 178.74 3ci2 n ALA 46 N -2.20 0.49 -2.30 3.43 0.00 0.70 -4.74 120.51 115.90 3ci2 n ALA 46 Ca 0.00 -1.13 -0.43 0.00 0.00 0.00 0.00 53.44 51.89 3ci2 n ALA 46 Cb 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 4.96 3.46 -2.47 0.00 -0.06 0.22 -4.82 117.38 118.67 3ci2 n GLN 47 Ca 0.08 -3.39 -0.39 0.00 -2.00 0.00 0.00 57.00 51.30 3ci2 n GLN 47 Cb 0.48 -3.01 -0.04 0.00 -4.06 0.00 0.00 30.24 23.61 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3ci2 s ILE 48 N 1.08 3.50 0.28 1.69 1.01 -1.26 -4.77 121.20 122.72 3ci2 s ILE 48 Ca 0.42 1.37 0.09 0.00 0.00 0.00 0.00 60.65 62.53 3ci2 s ILE 48 Cb 0.09 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3ci2 s ILE 48 CO -0.01 0.22 0.01 -0.63 0.00 0.00 0.00 174.94 174.53 3ci2 s ILE 49 N -1.33 3.31 -0.29 2.92 1.09 -1.26 -5.06 121.20 120.57 3ci2 s ILE 49 Ca 0.50 -1.91 -0.13 0.00 -1.10 0.00 0.00 60.65 58.00 3ci2 s ILE 49 Cb -0.29 -2.84 -0.04 0.00 -1.06 0.00 0.00 42.46 38.24 3ci2 s ILE 49 CO 0.37 -0.34 0.28 0.54 -0.10 0.00 0.00 174.94 175.69 3ci2 s VAL 50 N -2.36 5.24 -0.07 2.92 0.11 -1.26 -3.32 120.40 121.66 3ci2 s VAL 50 Ca 0.32 0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 59.65 3ci2 s VAL 50 Cb -0.05 -3.64 0.03 0.00 -1.53 0.00 0.00 36.38 31.19 3ci2 s VAL 50 CO 0.20 0.16 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.37 3ci2 s LEU 51 N 1.91 0.70 0.12 2.54 1.43 -1.02 -5.01 118.68 119.36 3ci2 s LEU 51 Ca 0.11 -0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 52.80 3ci2 s LEU 51 Cb -0.16 -0.45 -0.09 0.00 0.03 0.00 0.00 46.19 45.51 3ci2 s LEU 51 CO 0.11 -0.17 1.60 -2.84 0.23 0.00 0.00 176.35 175.27 3ci2 s PRO 52 N 1.83 4.21 0.34 1.29 0.02 -1.26 -0.96 135.00 140.46 3ci2 s PRO 52 Ca 0.03 2.34 -0.28 0.00 0.02 0.00 0.00 61.00 63.10 3ci2 s PRO 52 Cb -0.12 -3.35 -0.12 0.00 0.02 0.00 0.00 34.50 30.92 3ci2 s PRO 52 CO -0.05 -0.66 1.42 1.55 -0.33 0.00 0.00 177.00 178.93 3ci2 n VAL 53 N 4.30 1.80 0.00 3.83 3.14 0.18 -3.16 118.33 128.42 3ci2 n VAL 53 Ca 0.15 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 3ci2 n VAL 53 Cb 0.39 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 3ci2 n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ci2 n GLY 54 N 0.91 1.92 3.51 7.55 0.00 -1.26 -4.97 105.19 112.85 3ci2 n GLY 54 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.88 1.86 -2.60 2.61 -1.04 -1.19 -4.72 114.28 108.32 3ci2 n THR 55 Ca 0.00 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 3ci2 n THR 55 Cb 0.00 -0.56 -0.01 0.00 -1.82 0.00 0.00 70.33 67.95 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 -0.94 4.11 0.16 12.58 -1.09 -1.26 -4.83 121.20 129.94 3ci2 s ILE 56 Ca 0.63 -1.64 0.07 0.00 -2.23 0.00 0.00 60.65 57.48 3ci2 s ILE 56 Cb -0.82 -5.14 -0.04 0.00 -1.58 0.00 0.00 42.46 34.87 3ci2 s ILE 56 CO 0.58 -1.98 -0.15 0.68 -1.23 0.00 0.00 174.94 172.83 3ci2 s VAL 57 N 4.29 1.60 0.67 2.92 -7.23 -1.26 -5.16 120.40 116.23 3ci2 s VAL 57 Ca 0.51 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 3ci2 s VAL 57 Cb 0.03 -1.79 0.11 0.00 0.56 0.00 0.00 36.38 35.29 3ci2 s VAL 57 CO 0.03 -0.45 0.93 -0.89 -0.31 0.00 0.00 175.10 174.41 3ci2 s THR 58 N -2.40 2.14 -1.30 5.32 2.01 -1.26 -4.96 115.64 115.19 3ci2 s THR 58 Ca 0.15 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 3ci2 s THR 58 Cb -0.04 -2.41 0.15 0.00 0.01 0.00 0.00 72.50 70.21 3ci2 s THR 58 CO 0.05 0.00 2.04 0.80 -0.69 0.00 0.00 174.62 176.82 3ci2 n MET 59 N -2.64 3.89 -2.33 4.92 1.56 -1.26 -4.95 117.12 116.30 3ci2 n MET 59 Ca 0.15 -3.48 -0.32 0.00 -0.27 0.00 0.00 57.70 53.78 3ci2 n MET 59 Cb 0.61 -2.84 -0.02 0.00 2.15 0.00 0.00 33.22 33.11 3ci2 n MET 59 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 3ci2 s GLU 60 N 0.01 3.80 -0.62 2.12 -1.05 -1.26 -5.02 118.70 116.68 3ci2 s GLU 60 Ca 0.44 1.03 0.02 0.00 -0.15 0.00 0.00 54.97 56.32 3ci2 s GLU 60 Cb 0.12 -2.11 0.39 0.00 -0.44 0.00 0.00 34.13 32.09 3ci2 s GLU 60 CO -0.02 -0.40 1.47 0.98 0.95 0.00 0.00 175.26 178.24 3ci2 n TYR 61 N -1.64 3.26 -2.58 4.83 4.19 -1.26 -4.30 117.16 119.66 3ci2 n TYR 61 Ca 0.07 -2.84 -0.43 0.00 3.31 0.00 0.00 57.90 58.01 3ci2 n TYR 61 Cb 0.54 -0.55 0.00 0.00 0.49 0.00 0.00 39.34 39.82 3ci2 n TYR 61 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3ci2 n ARG 62 N -0.48 3.65 0.00 2.98 3.00 -1.26 -4.83 116.66 119.72 3ci2 n ARG 62 Ca 0.45 -3.74 0.00 0.00 -0.01 0.00 0.00 57.85 54.55 3ci2 n ARG 62 Cb 0.47 -2.90 0.00 0.00 0.00 0.00 0.00 32.46 30.03 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 3.40 0.04 0.65 0.55 0.13 -1.26 0.47 119.36 123.34 3ci2 n ILE 63 Ca 0.37 0.21 0.12 0.00 -1.10 0.00 0.00 62.75 62.36 3ci2 n ILE 63 Cb 0.38 -1.21 0.18 0.00 -0.84 0.00 0.00 39.64 38.14 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 -0.74 3.17 -3.89 9.51 5.75 -1.26 -4.72 116.55 124.37 3ci2 n ASP 64 Ca 0.00 -1.97 -0.30 0.00 -0.01 0.00 0.00 54.79 52.50 3ci2 n ASP 64 Cb 0.21 -0.14 -0.14 0.00 -1.03 0.00 0.00 41.12 40.01 3ci2 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3ci2 s ARG 65 N -1.72 1.44 -0.64 0.11 6.06 0.18 0.69 118.95 125.06 3ci2 s ARG 65 Ca 0.34 -1.95 -0.05 0.00 -2.50 0.00 0.00 55.73 51.57 3ci2 s ARG 65 Cb 0.22 -2.86 0.04 0.00 0.06 0.00 0.00 34.95 32.41 3ci2 s ARG 65 CO 0.31 -1.03 2.78 0.28 -2.50 0.00 0.00 175.30 175.13 3ci2 n VAL 66 N 3.93 3.77 -1.60 7.11 0.31 -1.25 -4.24 118.33 126.35 3ci2 n VAL 66 Ca 0.04 -3.14 -0.56 0.00 -0.01 0.00 0.00 64.34 60.67 3ci2 n VAL 66 Cb 0.38 -1.78 -0.08 0.00 -0.91 0.00 0.00 33.84 31.46 3ci2 n VAL 66 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3ci2 n ARG 67 N 1.31 1.02 -2.64 5.55 1.85 -1.26 -4.61 116.66 117.89 3ci2 n ARG 67 Ca 0.52 0.35 -0.42 0.00 -1.00 0.00 0.00 57.85 57.31 3ci2 n ARG 67 Cb 0.51 -2.14 -0.03 0.00 -1.05 0.00 0.00 32.46 29.75 3ci2 n ARG 67 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ci2 s LEU 68 N 4.78 3.74 -0.78 2.89 1.43 -1.21 -4.68 118.68 124.84 3ci2 s LEU 68 Ca 1.03 -1.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.60 3ci2 s LEU 68 Cb -1.06 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 3ci2 s LEU 68 CO 0.62 -1.51 1.65 -0.36 0.23 0.00 0.00 176.35 176.97 3ci2 s PHE 69 N 4.72 2.02 0.49 0.29 0.08 -1.26 -2.43 117.98 121.89 3ci2 s PHE 69 Ca 0.39 0.23 0.07 0.00 0.12 0.00 0.00 56.93 57.75 3ci2 s PHE 69 Cb -0.04 -4.34 0.02 0.00 -0.57 0.00 0.00 43.02 38.09 3ci2 s PHE 69 CO -0.03 -2.06 0.46 0.14 -0.10 0.00 0.00 175.22 173.63 3ci2 s VAL 70 N 7.65 2.19 0.00 -0.44 -7.23 -0.14 -2.53 120.40 119.91 3ci2 s VAL 70 Ca 0.55 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 3ci2 s VAL 70 Cb -0.08 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3ci2 s VAL 70 CO 0.09 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.98 3ci2 n ASP 71 N -1.75 0.00 -0.04 4.85 5.75 0.11 0.47 116.55 125.95 3ci2 n ASP 71 Ca 0.04 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.95 3ci2 n ASP 71 Cb 0.63 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.25 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 0.24 -2.65 0.11 5.02 -1.26 -3.71 118.16 115.91 3ci2 n LYS 72 Ca 0.00 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.12 3ci2 n LYS 72 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3ci2 n LEU 73 N -1.32 1.89 -0.65 -0.35 -0.00 -1.26 -4.99 117.00 110.32 3ci2 n LEU 73 Ca 0.09 -3.78 0.00 0.00 -0.00 0.00 0.00 56.01 52.32 3ci2 n LEU 73 Cb 0.31 0.33 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 3ci2 n LEU 73 CO 0.28 1.56 0.00 -0.90 -0.00 0.00 0.00 177.39 178.33 3ci2 n ASP 74 N -0.21 0.00 -4.89 1.45 5.75 -1.24 -4.87 116.55 112.54 3ci2 n ASP 74 Ca 0.13 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.55 3ci2 n ASP 74 Cb 0.80 -0.45 -0.05 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.65 6.40 -0.09 -1.12 0.02 -1.26 -1.44 114.94 116.80 3ci2 s ASN 75 Ca 0.00 0.44 -0.29 0.00 -1.02 0.00 0.00 52.86 51.99 3ci2 s ASN 75 Cb 0.00 -2.05 -0.06 0.00 0.02 0.00 0.00 41.25 39.17 3ci2 s ASN 75 CO 0.00 0.34 1.78 -0.63 0.02 0.00 0.00 177.10 178.61 3ci2 s ILE 76 N -1.16 3.42 -0.25 0.60 1.01 0.17 0.06 121.20 125.05 3ci2 s ILE 76 Ca 0.21 0.49 -0.06 0.00 0.00 0.00 0.00 60.65 61.29 3ci2 s ILE 76 Cb -0.12 -3.37 -0.16 0.00 0.01 0.00 0.00 42.46 38.81 3ci2 s ILE 76 CO 0.10 -0.10 -0.20 0.00 0.00 0.00 0.00 174.94 174.75 3ci2 n ALA 77 N 8.03 1.26 -3.92 9.38 0.00 -1.05 -0.93 120.51 133.29 3ci2 n ALA 77 Ca 0.20 -1.02 -0.34 0.00 0.00 0.00 0.00 53.44 52.28 3ci2 n ALA 77 Cb 0.43 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.51 3.03 0.24 0.00 0.74 -1.09 -4.98 119.66 115.08 3ci2 s GLN 78 Ca -0.35 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 53.94 3ci2 s GLN 78 Cb 0.11 -2.75 -0.09 0.00 1.10 0.00 0.00 33.01 31.38 3ci2 s GLN 78 CO 0.57 -0.25 1.16 0.08 -0.55 0.00 0.00 175.29 176.30 3ci2 s VAL 79 N 1.33 3.48 0.76 1.34 1.01 -1.26 -4.53 120.40 122.53 3ci2 s VAL 79 Ca 0.04 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 3ci2 s VAL 79 Cb -0.14 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.44 3ci2 s VAL 79 CO -0.09 0.28 1.11 -2.84 0.00 0.00 0.00 175.10 173.55 3ci2 s PRO 80 N -0.90 2.09 0.03 2.72 0.02 -1.26 -4.84 135.00 132.87 3ci2 s PRO 80 Ca 0.49 -0.02 -0.08 0.00 0.02 0.00 0.00 61.00 61.40 3ci2 s PRO 80 Cb -0.33 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3ci2 s PRO 80 CO 0.40 -1.43 0.17 1.03 -0.33 0.00 0.00 177.00 176.84 3ci2 s ARG 81 N -5.44 0.65 -0.03 5.54 3.00 -1.26 -1.03 118.95 120.38 3ci2 s ARG 81 Ca 0.61 -0.62 -0.13 0.00 0.00 0.00 0.00 55.73 55.59 3ci2 s ARG 81 Cb -0.11 0.27 -0.07 0.00 0.00 0.00 0.00 34.95 35.04 3ci2 s ARG 81 CO 0.47 -0.18 0.59 0.28 0.00 0.00 0.00 175.30 176.47 3ci2 h VAL 82 N 3.60 0.00 0.00 3.52 2.07 -0.42 -3.34 116.25 121.68 3ci2 h VAL 82 Ca -0.32 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3ci2 h VAL 82 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ci2 h VAL 82 CO 0.48 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.68