#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci2 s LYS 21 N 0.00 3.49 0.00 1.47 1.02 -1.26 -4.98 119.74 119.48 3ci2 s LYS 21 Ca 0.00 -0.20 0.15 0.00 0.02 0.00 0.00 55.97 55.94 3ci2 s LYS 21 Cb 0.00 -3.11 0.34 0.00 -0.52 0.00 0.00 37.83 34.54 3ci2 s LYS 21 CO 0.00 0.68 1.25 0.25 -0.92 0.00 0.00 175.35 176.62 3ci2 n THR 22 N 1.19 0.72 -3.92 2.17 -2.24 -1.26 -4.87 114.28 106.07 3ci2 n THR 22 Ca -0.13 -0.86 -0.10 0.00 -2.27 0.00 0.00 64.05 60.69 3ci2 n THR 22 Cb 0.53 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.08 0.43 -0.52 -0.78 1.03 -1.26 0.06 118.70 116.58 3ci2 s GLU 23 Ca 0.28 -0.54 0.05 0.00 0.03 0.00 0.00 54.97 54.79 3ci2 s GLU 23 Cb 0.16 0.17 0.17 0.00 -0.80 0.00 0.00 34.13 33.83 3ci2 s GLU 23 CO 0.21 -0.09 0.41 0.91 -1.33 0.00 0.00 175.26 175.37 3ci2 n TRP 24 N 1.40 0.67 0.09 4.83 8.01 -0.80 -4.91 117.44 126.73 3ci2 n TRP 24 Ca -0.23 -3.69 -0.07 0.00 -1.31 0.00 0.00 57.50 52.21 3ci2 n TRP 24 Cb 0.56 -0.09 -0.03 0.00 -2.01 0.00 0.00 31.31 29.74 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 5.46 0.05 -0.07 -0.99 0.13 -1.96 -3.29 132.00 131.33 3ci2 h PRO 25 Ca 0.22 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.30 3ci2 h PRO 25 Cb 0.85 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ci2 h PRO 25 CO 0.51 0.92 0.43 1.05 -0.23 0.00 0.00 178.00 180.67 3ci2 h GLU 26 N 0.03 0.00 -0.39 0.86 9.09 -2.00 0.11 114.58 122.27 3ci2 h GLU 26 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 3ci2 h GLU 26 Cb 1.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.68 3ci2 h GLU 26 CO 0.12 0.00 0.00 1.47 0.05 0.00 0.00 179.01 180.65 3ci2 n LEU 27 N -2.97 3.96 -4.78 3.06 -0.00 -1.24 -5.03 117.00 110.00 3ci2 n LEU 27 Ca -0.00 -2.62 -0.33 0.00 -0.00 0.00 0.00 56.01 53.06 3ci2 n LEU 27 Cb 0.49 -0.48 0.05 0.00 -0.00 0.00 0.00 43.42 43.48 3ci2 n LEU 27 CO 0.14 0.72 0.73 -0.69 -0.00 0.00 0.00 177.39 178.29 3ci2 s VAL 28 N -2.13 3.37 -1.05 1.47 1.01 0.37 -3.41 120.40 120.04 3ci2 s VAL 28 Ca 0.40 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3ci2 s VAL 28 Cb 0.29 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3ci2 s VAL 28 CO 0.15 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.42 3ci2 n GLY 29 N -0.75 1.11 3.40 4.51 0.00 -0.93 -4.98 105.19 107.55 3ci2 n GLY 29 Ca 0.10 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.68 1.53 0.52 1.61 -0.14 -1.22 -4.88 119.74 114.49 3ci2 s LYS 30 Ca 0.00 -1.81 -0.01 0.00 -1.36 0.00 0.00 55.97 52.79 3ci2 s LYS 30 Cb 0.00 -0.84 0.01 0.00 -1.68 0.00 0.00 37.83 35.33 3ci2 s LYS 30 CO 0.00 -0.11 0.77 0.45 -0.76 0.00 0.00 175.35 175.70 3ci2 s SER 31 N -3.42 5.57 0.54 2.83 0.15 -1.26 0.04 113.70 118.16 3ci2 s SER 31 Ca 0.33 0.33 0.27 0.00 0.70 0.00 0.00 55.95 57.58 3ci2 s SER 31 Cb 0.07 -1.39 1.44 0.00 -1.71 0.00 0.00 66.02 64.42 3ci2 s SER 31 CO 0.13 -0.95 1.97 1.62 1.20 0.00 0.00 173.24 177.20 3ci2 h VAL 32 N 0.11 0.65 0.17 4.45 3.04 -0.81 -0.67 116.25 123.19 3ci2 h VAL 32 Ca -0.45 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 64.92 3ci2 h VAL 32 Cb 1.27 0.70 0.01 0.00 -2.01 0.00 0.00 31.29 31.25 3ci2 h VAL 32 CO 0.57 0.00 -1.53 -0.33 -1.01 0.00 0.00 177.57 175.27 3ci2 h GLU 33 N 0.00 0.35 -0.18 4.17 4.39 -1.93 -3.23 114.58 118.15 3ci2 h GLU 33 Ca 0.27 -0.60 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 3ci2 h GLU 33 Cb 1.12 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 3ci2 h GLU 33 CO -0.00 1.25 0.11 0.93 -1.16 0.00 0.00 179.01 180.14 3ci2 h GLU 34 N 0.10 0.25 -0.61 2.33 5.08 -1.76 -2.90 114.58 117.05 3ci2 h GLU 34 Ca -0.26 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3ci2 h GLU 34 Cb 2.07 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 31.15 3ci2 h GLU 34 CO 0.20 0.22 -0.19 0.00 -1.00 0.00 0.00 179.01 178.23 3ci2 h ALA 35 N 1.02 0.33 -0.36 3.43 0.00 -1.24 -0.37 119.26 122.07 3ci2 h ALA 35 Ca 0.06 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3ci2 h ALA 35 Cb 0.03 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3ci2 h ALA 35 CO -0.01 -0.47 -0.17 0.87 0.00 0.00 0.00 179.25 179.46 3ci2 h LYS 36 N -0.04 -0.11 -0.51 0.00 1.57 -1.53 0.42 116.57 116.37 3ci2 h LYS 36 Ca 0.29 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 3ci2 h LYS 36 Cb 0.48 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 3ci2 h LYS 36 CO -0.65 -0.07 0.10 0.87 -0.57 0.00 0.00 179.45 179.13 3ci2 h LYS 37 N -0.11 0.23 0.70 3.15 6.56 -0.95 0.18 116.57 126.33 3ci2 h LYS 37 Ca 0.18 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.72 3ci2 h LYS 37 Cb 0.39 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 3ci2 h LYS 37 CO -0.43 0.15 -0.38 0.28 -2.06 0.00 0.00 179.45 177.01 3ci2 h VAL 38 N 0.24 0.23 -0.52 0.50 2.07 0.74 -2.95 116.25 116.55 3ci2 h VAL 38 Ca 0.26 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.85 3ci2 h VAL 38 Cb 0.35 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 3ci2 h VAL 38 CO -0.34 0.00 0.19 0.40 0.02 0.00 0.00 177.57 177.84 3ci2 h ILE 39 N -1.00 0.82 -0.54 4.57 2.04 0.28 0.67 117.51 124.35 3ci2 h ILE 39 Ca -0.09 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.72 3ci2 h ILE 39 Cb 0.79 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3ci2 h ILE 39 CO 0.13 0.07 0.36 -0.07 0.00 0.00 0.00 178.15 178.64 3ci2 h LEU 40 N 0.37 0.37 -2.24 1.44 3.38 -0.70 0.40 115.31 118.32 3ci2 h LEU 40 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ci2 h LEU 40 Cb 0.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ci2 h LEU 40 CO -0.26 0.23 0.00 1.56 0.09 0.00 0.00 178.44 180.07 3ci2 h GLN 41 N 0.42 0.00 0.00 1.13 4.20 0.54 -0.58 115.11 120.82 3ci2 h GLN 41 Ca 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 3ci2 h GLN 41 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3ci2 h GLN 41 CO -0.06 0.00 -0.98 -3.47 -0.67 0.00 0.00 178.83 173.65 3ci2 n ASP 42 N -3.02 1.89 -3.30 1.46 -0.08 0.57 -4.76 116.55 109.31 3ci2 n ASP 42 Ca -0.01 0.44 -0.27 0.00 -1.51 0.00 0.00 54.79 53.44 3ci2 n ASP 42 Cb 0.17 -0.80 -0.07 0.00 2.34 0.00 0.00 41.12 42.75 3ci2 n ASP 42 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3ci2 n LYS 43 N -4.49 2.51 -0.02 -0.67 4.81 0.11 -4.86 118.16 115.55 3ci2 n LYS 43 Ca -0.16 -4.58 0.01 0.00 -0.87 0.00 0.00 58.31 52.71 3ci2 n LYS 43 Cb 0.47 -2.16 0.02 0.00 0.02 0.00 0.00 35.03 33.37 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 0.65 -0.00 0.00 1.64 -0.02 -0.23 -0.19 135.00 136.85 3ci2 n PRO 44 Ca 0.29 0.07 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 3ci2 n PRO 44 Cb 0.42 -0.11 0.73 0.00 -0.02 0.00 0.00 33.50 34.52 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 -3.65 0.51 -1.51 -0.52 -0.00 -1.26 -4.81 120.64 109.40 3ci2 n GLU 45 Ca 0.01 -0.05 -0.26 0.00 -0.00 0.00 0.00 57.16 56.86 3ci2 n GLU 45 Cb 0.04 -1.50 -0.17 0.00 -0.00 0.00 0.00 31.44 29.81 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 -1.20 0.78 -2.20 -1.84 0.00 0.73 -4.81 120.51 111.97 3ci2 n ALA 46 Ca 0.15 -0.79 -0.39 0.00 0.00 0.00 0.00 53.44 52.41 3ci2 n ALA 46 Cb 0.24 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.10 3ci2 n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ci2 n GLN 47 N 7.02 2.58 -2.47 0.00 1.13 0.39 -4.65 117.38 121.38 3ci2 n GLN 47 Ca 0.62 -2.85 -0.41 0.00 -1.94 0.00 0.00 57.00 52.42 3ci2 n GLN 47 Cb 0.19 -3.48 -0.03 0.00 0.11 0.00 0.00 30.24 27.02 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ci2 s ILE 48 N 5.99 3.95 0.31 5.09 1.01 -1.26 -4.12 121.20 132.17 3ci2 s ILE 48 Ca 0.57 1.54 0.10 0.00 0.00 0.00 0.00 60.65 62.86 3ci2 s ILE 48 Cb 0.05 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3ci2 s ILE 48 CO 0.07 0.20 -0.08 -0.63 0.00 0.00 0.00 174.94 174.50 3ci2 s ILE 49 N 0.36 2.67 -0.16 2.92 1.09 -1.26 -4.92 121.20 121.90 3ci2 s ILE 49 Ca 0.54 -2.14 -0.05 0.00 -1.10 0.00 0.00 60.65 57.89 3ci2 s ILE 49 Cb -0.29 -2.62 -0.03 0.00 -1.06 0.00 0.00 42.46 38.46 3ci2 s ILE 49 CO 0.32 -0.30 0.02 0.54 -0.10 0.00 0.00 174.94 175.42 3ci2 s VAL 50 N -2.49 4.41 0.05 2.92 0.11 -1.26 0.10 120.40 124.23 3ci2 s VAL 50 Ca 0.32 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 3ci2 s VAL 50 Cb -0.03 -2.95 -0.03 0.00 -1.53 0.00 0.00 36.38 31.84 3ci2 s VAL 50 CO 0.18 0.50 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.64 3ci2 s LEU 51 N 0.17 2.39 -0.00 2.54 1.02 0.00 -4.93 118.68 119.87 3ci2 s LEU 51 Ca 0.02 -0.80 -0.29 0.00 0.02 0.00 0.00 54.13 53.08 3ci2 s LEU 51 Cb -0.13 0.09 -0.03 0.00 0.02 0.00 0.00 46.19 46.14 3ci2 s LEU 51 CO 0.01 -0.45 0.92 -2.16 0.02 0.00 0.00 176.35 174.70 3ci2 s PRO 52 N -2.91 4.55 0.05 1.29 0.04 -1.26 -1.08 135.00 135.67 3ci2 s PRO 52 Ca -0.01 1.31 -0.37 0.00 0.04 0.00 0.00 61.00 61.97 3ci2 s PRO 52 Cb 0.00 -3.45 -0.19 0.00 0.04 0.00 0.00 34.50 30.90 3ci2 s PRO 52 CO -0.05 0.00 0.97 0.28 0.04 0.00 0.00 177.00 178.24 3ci2 n VAL 53 N 3.76 0.41 0.00 -0.36 0.31 0.06 -2.08 118.33 120.43 3ci2 n VAL 53 Ca 0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3ci2 n VAL 53 Cb 0.51 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 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 1.64 3.12 3.57 2.92 0.00 -1.26 -5.02 105.19 110.16 3ci2 n GLY 54 Ca 0.19 -0.99 -0.52 0.00 0.00 0.00 0.00 46.02 44.70 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 0.27 -1.53 2.61 -1.04 -0.88 -4.69 114.28 109.01 3ci2 n THR 55 Ca 0.00 -0.07 -0.51 0.00 -2.04 0.00 0.00 64.05 61.44 3ci2 n THR 55 Cb 0.00 -0.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.74 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 2.08 0.28 0.00 12.58 -0.00 -1.26 -4.90 119.36 128.15 3ci2 n ILE 56 Ca 0.18 -0.22 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 3ci2 n ILE 56 Cb 0.19 -1.70 0.00 0.00 -0.00 0.00 0.00 39.64 38.13 3ci2 n ILE 56 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 3ci2 n VAL 57 N 6.56 0.00 -1.54 1.39 0.31 -1.26 -4.83 118.33 118.96 3ci2 n VAL 57 Ca 0.35 0.37 -0.41 0.00 -0.01 0.00 0.00 64.34 64.65 3ci2 n VAL 57 Cb 0.24 -1.37 -0.01 0.00 -0.91 0.00 0.00 33.84 31.79 3ci2 n VAL 57 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ci2 n THR 58 N -2.44 3.63 0.00 2.52 -1.04 -1.26 -4.49 114.28 111.20 3ci2 n THR 58 Ca 0.00 -2.76 0.00 0.00 -2.04 0.00 0.00 64.05 59.25 3ci2 n THR 58 Cb 0.00 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 65.92 3ci2 n THR 58 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3ci2 n MET 59 N 5.29 0.00 0.00 -2.82 0.00 -1.26 -5.10 117.12 113.23 3ci2 n MET 59 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.30 3ci2 n MET 59 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.55 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3ci2 n GLU 60 N 0.00 2.26 -3.75 2.12 0.28 -1.26 -5.05 120.64 115.24 3ci2 n GLU 60 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 3ci2 n GLU 60 Cb 0.00 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.74 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 0.00 2.11 -1.18 -1.84 5.04 -1.26 -4.92 117.35 115.29 3ci2 s TYR 61 Ca 0.00 -2.42 -0.05 0.00 -2.44 0.00 0.00 57.07 52.16 3ci2 s TYR 61 Cb 0.00 -1.98 0.23 0.00 0.35 0.00 0.00 41.96 40.56 3ci2 s TYR 61 CO 0.00 -0.80 1.85 -2.13 -1.34 0.00 0.00 175.55 173.13 3ci2 n ARG 62 N 3.71 4.42 0.30 4.97 3.00 -0.72 -4.64 116.66 127.70 3ci2 n ARG 62 Ca 0.07 -4.04 0.15 0.00 -0.00 0.00 0.00 57.85 54.03 3ci2 n ARG 62 Cb 0.35 -2.65 0.93 0.00 0.00 0.00 0.00 32.46 31.09 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 3.13 0.51 -0.30 5.15 6.09 -1.89 0.30 117.51 130.51 3ci2 h ILE 63 Ca 0.42 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 63.82 3ci2 h ILE 63 Cb 0.50 1.00 -0.06 0.00 0.47 0.00 0.00 36.82 38.73 3ci2 h ILE 63 CO 1.43 0.00 0.12 -0.90 -3.07 0.00 0.00 178.15 175.73 3ci2 n ASP 64 N -3.83 3.04 -3.65 2.19 5.68 -1.26 -4.75 116.55 113.96 3ci2 n ASP 64 Ca -0.03 -2.48 -0.09 0.00 -0.50 0.00 0.00 54.79 51.70 3ci2 n ASP 64 Cb 0.09 -0.60 -0.08 0.00 -1.14 0.00 0.00 41.12 39.39 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 -1.46 0.66 -0.97 0.11 3.52 0.08 -0.46 118.95 120.43 3ci2 s ARG 65 Ca 0.21 1.10 -0.02 0.00 -0.13 0.00 0.00 55.73 56.89 3ci2 s ARG 65 Cb 0.17 0.15 0.29 0.00 -1.56 0.00 0.00 34.95 34.00 3ci2 s ARG 65 CO 0.05 -0.14 1.30 0.28 -0.81 0.00 0.00 175.30 175.98 3ci2 n VAL 66 N 4.05 4.62 -1.52 7.11 0.31 -1.26 -2.48 118.33 129.15 3ci2 n VAL 66 Ca -0.20 -5.76 -0.47 0.00 -0.01 0.00 0.00 64.34 57.90 3ci2 n VAL 66 Cb 0.58 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 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 1.22 0.82 -3.61 5.55 1.85 -1.20 -4.45 116.66 116.83 3ci2 n ARG 67 Ca 0.27 0.29 -0.39 0.00 -1.00 0.00 0.00 57.85 57.02 3ci2 n ARG 67 Cb 0.35 -1.58 -0.11 0.00 -1.05 0.00 0.00 32.46 30.07 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 1.26 4.18 -0.62 2.89 1.43 0.11 -3.11 118.68 124.82 3ci2 s LEU 68 Ca 0.66 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 3ci2 s LEU 68 Cb -0.84 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 43.42 3ci2 s LEU 68 CO 0.57 -0.17 0.78 -0.36 0.23 0.00 0.00 176.35 177.39 3ci2 s PHE 69 N 1.68 2.94 0.52 0.29 0.08 -1.26 -0.82 117.98 121.41 3ci2 s PHE 69 Ca 0.06 -0.90 0.05 0.00 0.12 0.00 0.00 56.93 56.26 3ci2 s PHE 69 Cb -0.17 -4.09 0.02 0.00 -0.57 0.00 0.00 43.02 38.22 3ci2 s PHE 69 CO 0.08 -1.38 0.34 0.14 -0.10 0.00 0.00 175.22 174.30 3ci2 s VAL 70 N 2.97 1.74 0.00 -0.44 -7.23 -0.24 -1.38 120.40 115.81 3ci2 s VAL 70 Ca 0.15 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3ci2 s VAL 70 Cb -0.22 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3ci2 s VAL 70 CO 0.06 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.95 3ci2 n ASP 71 N -1.65 0.00 -0.09 4.85 5.75 -0.30 -0.76 116.55 124.34 3ci2 n ASP 71 Ca -0.03 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.89 3ci2 n ASP 71 Cb 0.64 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.35 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 0.58 -2.66 0.11 5.02 -1.26 -3.62 118.16 116.33 3ci2 n LYS 72 Ca 0.00 -0.18 -0.07 0.00 -2.02 0.00 0.00 58.31 56.04 3ci2 n LYS 72 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.55 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ci2 n LEU 73 N -1.06 2.18 -1.86 -0.35 4.77 -1.26 -5.00 117.00 114.42 3ci2 n LEU 73 Ca 0.14 -3.56 -0.01 0.00 -0.03 0.00 0.00 56.01 52.55 3ci2 n LEU 73 Cb 0.28 0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3ci2 n LEU 73 CO 0.24 1.38 -0.00 -0.90 -1.33 0.00 0.00 177.39 176.78 3ci2 n ASP 74 N -0.47 -0.67 -4.69 -1.43 5.75 -1.24 -4.86 116.55 108.94 3ci2 n ASP 74 Ca 0.14 0.30 -0.34 0.00 -0.01 0.00 0.00 54.79 54.88 3ci2 n ASP 74 Cb 0.82 -0.67 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.35 5.26 -0.80 -1.12 0.01 -1.26 -0.04 114.94 115.65 3ci2 s ASN 75 Ca 0.01 0.13 -0.25 0.00 -0.71 0.00 0.00 52.86 52.04 3ci2 s ASN 75 Cb -0.01 -1.47 -0.03 0.00 0.41 0.00 0.00 41.25 40.15 3ci2 s ASN 75 CO 0.02 0.36 1.87 -0.63 -1.51 0.00 0.00 177.10 177.21 3ci2 s ILE 76 N -0.93 3.45 0.08 0.60 1.01 0.11 -1.15 121.20 124.35 3ci2 s ILE 76 Ca 0.15 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 3ci2 s ILE 76 Cb -0.11 -4.06 -0.19 0.00 0.01 0.00 0.00 42.46 38.10 3ci2 s ILE 76 CO 0.04 -1.01 1.24 0.00 0.00 0.00 0.00 174.94 175.21 3ci2 h ALA 77 N 12.51 0.22 -2.43 9.38 0.00 -1.69 -2.47 119.26 134.79 3ci2 h ALA 77 Ca -0.04 -0.62 -0.62 0.00 0.00 0.00 0.00 54.91 53.63 3ci2 h ALA 77 Cb 1.06 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 3ci2 h ALA 77 CO 1.23 0.62 -0.77 -1.14 0.00 0.00 0.00 179.25 179.20 3ci2 s GLN 78 N -3.57 1.69 0.22 0.00 0.74 -0.48 -5.01 119.66 113.26 3ci2 s GLN 78 Ca -0.11 -1.69 -0.30 0.00 0.05 0.00 0.00 55.36 53.31 3ci2 s GLN 78 Cb 0.07 -1.81 -0.09 0.00 1.10 0.00 0.00 33.01 32.28 3ci2 s GLN 78 CO 0.90 0.35 1.04 0.08 -0.55 0.00 0.00 175.29 177.10 3ci2 s VAL 79 N -2.31 3.86 0.80 1.34 1.01 -1.26 -4.54 120.40 119.30 3ci2 s VAL 79 Ca 0.28 1.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.91 3ci2 s VAL 79 Cb -0.06 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.27 3ci2 s VAL 79 CO 0.14 0.38 1.11 -2.84 0.00 0.00 0.00 175.10 173.89 3ci2 s PRO 80 N -0.95 2.05 0.20 2.72 0.02 -1.26 -4.78 135.00 133.00 3ci2 s PRO 80 Ca 0.45 0.54 -0.23 0.00 0.02 0.00 0.00 61.00 61.78 3ci2 s PRO 80 Cb -0.29 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.36 3ci2 s PRO 80 CO 0.36 -1.62 0.80 -0.98 -0.33 0.00 0.00 177.00 175.22 3ci2 s ARG 81 N -5.22 1.45 0.05 5.54 1.70 -1.18 -1.90 118.95 119.39 3ci2 s ARG 81 Ca 0.61 -0.76 -0.27 0.00 -0.47 0.00 0.00 55.73 54.84 3ci2 s ARG 81 Cb -0.14 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 3ci2 s ARG 81 CO 0.53 -0.66 0.86 0.08 -1.08 0.00 0.00 175.30 175.03 3ci2 s VAL 82 N -3.62 4.70 0.00 4.99 1.01 0.11 -3.26 120.40 124.33 3ci2 s VAL 82 Ca 0.10 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.90 3ci2 s VAL 82 Cb -0.03 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3ci2 s VAL 82 CO 0.02 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.04