#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 0.00 -0.10 1.47 0.00 -1.26 -4.66 118.16 113.61 3ci2 n LYS 21 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.36 3ci2 n LYS 21 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.10 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 0.00 1.28 -4.11 3.15 -2.24 -1.26 -4.86 114.28 106.24 3ci2 n THR 22 Ca 0.00 -1.48 -0.15 0.00 -2.27 0.00 0.00 64.05 60.14 3ci2 n THR 22 Cb 0.00 0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.81 0.65 -0.49 -0.78 4.04 -1.26 0.55 118.70 119.60 3ci2 s GLU 23 Ca 0.17 -0.85 0.06 0.00 0.04 0.00 0.00 54.97 54.39 3ci2 s GLU 23 Cb 0.15 -0.52 0.21 0.00 0.02 0.00 0.00 34.13 33.99 3ci2 s GLU 23 CO 0.02 0.11 0.50 0.91 -1.84 0.00 0.00 175.26 174.96 3ci2 n TRP 24 N 1.37 0.76 0.07 4.83 8.01 0.11 -4.88 117.44 127.71 3ci2 n TRP 24 Ca -0.22 -3.71 -0.09 0.00 -1.31 0.00 0.00 57.50 52.17 3ci2 n TRP 24 Cb 0.54 -0.24 0.03 0.00 -2.01 0.00 0.00 31.31 29.63 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 4.74 0.30 -1.08 -0.99 0.13 -1.96 -3.25 132.00 129.89 3ci2 h PRO 25 Ca 0.17 -0.27 0.29 0.00 -0.87 0.00 0.00 66.00 65.32 3ci2 h PRO 25 Cb 0.83 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 31.94 3ci2 h PRO 25 CO 0.54 0.93 0.72 0.93 -0.23 0.00 0.00 178.00 180.89 3ci2 h GLU 26 N 0.20 0.27 -0.73 0.86 3.07 -1.99 0.08 114.58 116.34 3ci2 h GLU 26 Ca -0.03 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.66 3ci2 h GLU 26 Cb 1.35 -0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 29.11 3ci2 h GLU 26 CO 0.12 0.18 0.19 1.47 -1.40 0.00 0.00 179.01 179.57 3ci2 n LEU 27 N -4.53 5.75 -4.78 1.33 -0.00 -1.22 -4.95 117.00 108.59 3ci2 n LEU 27 Ca 0.26 -2.97 -0.30 0.00 -0.00 0.00 0.00 56.01 53.00 3ci2 n LEU 27 Cb 0.99 -0.72 0.09 0.00 -0.00 0.00 0.00 43.42 43.79 3ci2 n LEU 27 CO 0.29 0.73 0.70 -0.69 -0.00 0.00 0.00 177.39 178.41 3ci2 s VAL 28 N -2.77 3.19 -1.29 1.47 1.01 0.01 -3.54 120.40 118.47 3ci2 s VAL 28 Ca 0.51 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3ci2 s VAL 28 Cb 0.41 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3ci2 s VAL 28 CO 0.13 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.34 3ci2 n GLY 29 N -1.78 1.24 3.33 4.51 0.00 -0.75 -4.90 105.19 106.84 3ci2 n GLY 29 Ca 0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.92 1.30 0.43 1.61 1.02 -1.23 -4.85 119.74 115.10 3ci2 s LYS 30 Ca 0.00 -1.63 -0.06 0.00 0.02 0.00 0.00 55.97 54.30 3ci2 s LYS 30 Cb 0.00 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 3ci2 s LYS 30 CO 0.00 -0.02 0.73 -1.54 -0.92 0.00 0.00 175.35 173.59 3ci2 s SER 31 N -3.29 6.35 0.57 2.83 1.04 -1.26 0.56 113.70 120.49 3ci2 s SER 31 Ca 0.26 0.90 0.34 0.00 0.48 0.00 0.00 55.95 57.92 3ci2 s SER 31 Cb 0.04 -2.23 1.43 0.00 0.10 0.00 0.00 66.02 65.37 3ci2 s SER 31 CO 0.07 -0.46 1.73 1.62 0.98 0.00 0.00 173.24 177.18 3ci2 h VAL 32 N 0.62 0.30 0.15 5.02 3.04 -1.35 0.17 116.25 124.20 3ci2 h VAL 32 Ca -0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 3ci2 h VAL 32 Cb 1.20 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3ci2 h VAL 32 CO 0.63 0.00 -0.07 1.05 -1.01 0.00 0.00 177.57 178.17 3ci2 h GLU 33 N 0.00 -0.19 0.09 4.17 4.11 -1.93 0.40 114.58 121.23 3ci2 h GLU 33 Ca 0.47 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.91 3ci2 h GLU 33 Cb 2.15 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.45 3ci2 h GLU 33 CO -0.00 0.13 -0.04 1.49 0.07 0.00 0.00 179.01 180.65 3ci2 h GLU 34 N -0.53 -0.12 -0.52 1.06 4.22 -1.51 0.25 114.58 117.43 3ci2 h GLU 34 Ca -0.02 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.53 3ci2 h GLU 34 Cb 0.41 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 3ci2 h GLU 34 CO 0.03 0.03 -0.04 0.00 -2.18 0.00 0.00 179.01 176.86 3ci2 h ALA 35 N 0.65 0.46 0.18 2.92 0.00 -0.66 0.31 119.26 123.12 3ci2 h ALA 35 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ci2 h ALA 35 Cb 0.21 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ci2 h ALA 35 CO 0.02 -0.41 -0.17 0.87 0.00 0.00 0.00 179.25 179.56 3ci2 h LYS 36 N 0.08 -0.37 -1.08 0.00 1.57 0.48 0.42 116.57 117.68 3ci2 h LYS 36 Ca 0.26 0.03 0.29 0.00 -1.87 0.00 0.00 60.65 59.36 3ci2 h LYS 36 Cb 0.41 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.71 3ci2 h LYS 36 CO -0.47 -0.25 0.70 -0.22 -0.57 0.00 0.00 179.45 178.64 3ci2 h LYS 37 N -0.38 0.32 0.00 3.15 3.11 0.16 0.20 116.57 123.13 3ci2 h LYS 37 Ca -0.00 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 3ci2 h LYS 37 Cb 0.36 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 3ci2 h LYS 37 CO -0.04 0.21 -0.29 0.28 -2.81 0.00 0.00 179.45 176.81 3ci2 h VAL 38 N 0.33 0.09 -0.59 2.00 2.07 0.15 -3.21 116.25 117.09 3ci2 h VAL 38 Ca 0.62 -1.08 0.12 0.00 0.82 0.00 0.00 66.70 67.17 3ci2 h VAL 38 Cb 1.67 0.18 -0.10 0.00 -1.52 0.00 0.00 31.29 31.52 3ci2 h VAL 38 CO -0.29 0.03 -0.05 0.40 0.02 0.00 0.00 177.57 177.67 3ci2 h ILE 39 N -1.00 0.48 0.00 4.57 2.04 0.22 0.53 117.51 124.35 3ci2 h ILE 39 Ca -0.01 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3ci2 h ILE 39 Cb 0.32 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3ci2 h ILE 39 CO -0.01 0.01 -0.17 -0.07 0.00 0.00 0.00 178.15 177.91 3ci2 h LEU 40 N 0.07 0.00 -1.21 1.44 3.38 -0.79 0.44 115.31 118.64 3ci2 h LEU 40 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3ci2 h LEU 40 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ci2 h LEU 40 CO -0.54 0.17 -0.09 -0.61 0.09 0.00 0.00 178.44 177.46 3ci2 h GLN 41 N 0.00 0.00 0.00 1.13 4.15 0.03 -3.35 115.11 117.07 3ci2 h GLN 41 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ci2 h GLN 41 Cb 0.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3ci2 h GLN 41 CO 0.02 0.09 -0.55 -3.47 -1.93 0.00 0.00 178.83 172.99 3ci2 n ASP 42 N -3.21 1.27 -3.56 -0.69 2.03 -0.44 -4.89 116.55 107.06 3ci2 n ASP 42 Ca 0.01 0.33 -0.34 0.00 0.52 0.00 0.00 54.79 55.31 3ci2 n ASP 42 Cb 0.37 -0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.83 3.64 0.00 -0.67 3.00 0.14 -4.98 118.16 115.46 3ci2 n LYS 43 Ca -0.08 -4.67 0.00 0.00 -0.00 0.00 0.00 58.31 53.56 3ci2 n LYS 43 Cb 0.29 -2.36 0.00 0.00 0.00 0.00 0.00 35.03 32.95 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 0.71 0.00 -0.08 1.64 -0.02 -1.26 -0.36 135.00 135.63 3ci2 n PRO 44 Ca 0.31 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 3ci2 n PRO 44 Cb 0.36 0.00 0.38 0.00 -0.02 0.00 0.00 33.50 34.23 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 0.65 -5.02 -0.52 3.07 -1.93 -3.41 114.58 107.42 3ci2 h GLU 45 Ca 0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3ci2 h GLU 45 Cb 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3ci2 h GLU 45 CO 0.00 0.43 0.76 0.00 -1.40 0.00 0.00 179.01 178.80 3ci2 n ALA 46 N -2.46 0.42 -1.41 3.43 0.00 0.52 -4.76 120.51 116.24 3ci2 n ALA 46 Ca 0.06 -1.30 -0.39 0.00 0.00 0.00 0.00 53.44 51.81 3ci2 n ALA 46 Cb 0.11 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 5.38 2.94 -2.29 0.00 7.27 -1.26 -4.87 117.38 124.55 3ci2 n GLN 47 Ca 0.10 -2.26 -0.39 0.00 0.07 0.00 0.00 57.00 54.52 3ci2 n GLN 47 Cb 0.49 -2.99 -0.02 0.00 2.41 0.00 0.00 30.24 30.13 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 3.04 3.13 0.00 1.69 1.01 -1.26 -4.78 121.20 124.02 3ci2 s ILE 48 Ca 0.56 1.01 0.00 0.00 0.00 0.00 0.00 60.65 62.22 3ci2 s ILE 48 Cb 0.15 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3ci2 s ILE 48 CO -0.05 0.15 0.00 -0.38 0.00 0.00 0.00 174.94 174.66 3ci2 n ILE 49 N 0.40 0.00 -4.26 2.92 2.08 -1.26 -5.10 119.36 114.14 3ci2 n ILE 49 Ca 0.03 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 62.99 3ci2 n ILE 49 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.26 3ci2 n ILE 49 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3ci2 s VAL 50 N -0.78 4.46 -0.26 1.39 0.11 -1.26 -4.70 120.40 119.37 3ci2 s VAL 50 Ca 0.00 -0.31 -0.04 0.00 -2.93 0.00 0.00 61.98 58.70 3ci2 s VAL 50 Cb 0.00 -2.94 0.09 0.00 -1.53 0.00 0.00 36.38 32.00 3ci2 s VAL 50 CO 0.00 0.51 0.12 -0.22 -3.33 0.00 0.00 175.10 172.17 3ci2 s LEU 51 N -1.21 0.60 0.07 2.54 1.98 -1.18 -5.01 118.68 116.48 3ci2 s LEU 51 Ca 0.17 -1.13 -0.31 0.00 -2.89 0.00 0.00 54.13 49.97 3ci2 s LEU 51 Cb -0.12 -0.36 -0.06 0.00 0.66 0.00 0.00 46.19 46.31 3ci2 s LEU 51 CO 0.06 -0.41 1.31 -2.16 -1.89 0.00 0.00 176.35 173.26 3ci2 s PRO 52 N 2.08 4.36 0.03 0.98 0.04 -1.26 -0.73 135.00 140.49 3ci2 s PRO 52 Ca 0.07 1.92 -0.39 0.00 0.04 0.00 0.00 61.00 62.65 3ci2 s PRO 52 Cb -0.16 -3.35 -0.19 0.00 0.04 0.00 0.00 34.50 30.84 3ci2 s PRO 52 CO -0.28 -0.39 1.11 0.28 0.04 0.00 0.00 177.00 177.76 3ci2 n VAL 53 N 4.08 0.09 0.00 -0.36 0.31 0.20 -1.39 118.33 121.25 3ci2 n VAL 53 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3ci2 n VAL 53 Cb 0.44 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 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 1.75 3.37 3.64 2.92 0.00 -1.26 -5.00 105.19 110.60 3ci2 n GLY 54 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.70 1.66 -2.80 2.61 -1.04 -0.49 -4.94 114.28 107.59 3ci2 n THR 55 Ca 0.00 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.38 3ci2 n THR 55 Cb 0.00 -1.08 -0.03 0.00 -1.82 0.00 0.00 70.33 67.40 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 4.88 0.00 12.58 -1.09 -1.26 -5.01 121.20 129.14 3ci2 s ILE 56 Ca 0.70 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.99 3ci2 s ILE 56 Cb -0.29 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 3ci2 s ILE 56 CO 0.54 0.11 0.00 1.33 -1.23 0.00 0.00 174.94 175.68 3ci2 n VAL 57 N 4.23 0.00 -0.61 2.92 0.24 -1.26 -5.17 118.33 118.68 3ci2 n VAL 57 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3ci2 n VAL 57 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3ci2 n VAL 57 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3ci2 n THR 58 N 0.00 0.00 0.00 3.34 -1.04 -1.26 -5.12 114.28 110.20 3ci2 n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3ci2 n THR 58 Cb 0.00 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 3ci2 n THR 58 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3ci2 n MET 59 N 0.00 2.20 0.18 -2.82 0.00 -1.26 -4.88 117.12 110.54 3ci2 n MET 59 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 3ci2 n MET 59 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.42 3ci2 n MET 59 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 3ci2 h GLU 60 N 0.00 0.00 -4.74 0.03 -0.00 -1.99 -3.41 114.58 104.46 3ci2 h GLU 60 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 59.36 58.68 3ci2 h GLU 60 Cb 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 28.75 28.40 3ci2 h GLU 60 CO 0.00 0.00 -0.71 -0.47 -0.00 0.00 0.00 179.01 177.83 3ci2 s TYR 61 N -3.20 3.38 -0.59 2.06 6.14 -1.26 -4.91 117.35 118.96 3ci2 s TYR 61 Ca 0.07 -2.22 0.01 0.00 0.64 0.00 0.00 57.07 55.57 3ci2 s TYR 61 Cb 0.07 -2.34 0.42 0.00 0.42 0.00 0.00 41.96 40.54 3ci2 s TYR 61 CO 0.67 -0.87 1.71 0.54 0.64 0.00 0.00 175.55 178.24 3ci2 n ARG 62 N 4.52 3.02 -0.38 4.97 3.00 -1.21 -4.85 116.66 125.73 3ci2 n ARG 62 Ca -0.09 -3.72 0.38 0.00 -0.01 0.00 0.00 57.85 54.41 3ci2 n ARG 62 Cb 0.43 -2.28 0.66 0.00 0.00 0.00 0.00 32.46 31.27 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 1.73 0.11 0.00 0.55 6.09 -1.85 0.16 117.51 124.29 3ci2 h ILE 63 Ca 0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.99 3ci2 h ILE 63 Cb 0.81 0.14 0.00 0.00 0.47 0.00 0.00 36.82 38.24 3ci2 h ILE 63 CO 1.26 0.00 0.08 -2.24 -3.07 0.00 0.00 178.15 174.18 3ci2 h ASP 64 N 0.00 0.00 -2.10 2.19 2.03 -1.95 -3.44 116.42 113.16 3ci2 h ASP 64 Ca 0.64 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.90 3ci2 h ASP 64 Cb 2.95 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 41.44 3ci2 h ASP 64 CO -0.01 0.00 -0.03 -1.14 -1.03 0.00 0.00 179.24 177.03 3ci2 n ARG 65 N -2.65 0.04 -3.95 4.15 0.63 0.56 -4.00 116.66 111.44 3ci2 n ARG 65 Ca -0.02 -0.27 -0.34 0.00 -0.92 0.00 0.00 57.85 56.29 3ci2 n ARG 65 Cb 0.13 0.24 -0.14 0.00 0.45 0.00 0.00 32.46 33.13 3ci2 n ARG 65 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ci2 s VAL 66 N -2.23 2.83 -0.68 5.15 1.01 -1.26 -1.82 120.40 123.40 3ci2 s VAL 66 Ca 0.03 -1.32 -0.27 0.00 0.00 0.00 0.00 61.98 60.43 3ci2 s VAL 66 Cb 0.00 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.84 3ci2 s VAL 66 CO 0.02 -0.01 1.21 -0.60 0.00 0.00 0.00 175.10 175.73 3ci2 s ARG 67 N 1.25 3.27 -1.29 2.72 6.06 -0.56 -4.77 118.95 125.62 3ci2 s ARG 67 Ca -0.04 -0.17 -0.18 0.00 -2.50 0.00 0.00 55.73 52.84 3ci2 s ARG 67 Cb -0.19 -4.14 0.07 0.00 0.06 0.00 0.00 34.95 30.75 3ci2 s ARG 67 CO -0.03 -1.97 1.74 -0.51 -2.50 0.00 0.00 175.30 172.03 3ci2 s LEU 68 N 5.31 3.83 -0.44 -0.88 1.02 -1.26 -4.61 118.68 121.64 3ci2 s LEU 68 Ca 0.36 -2.42 -0.28 0.00 0.02 0.00 0.00 54.13 51.80 3ci2 s LEU 68 Cb -0.09 -2.58 -0.01 0.00 0.02 0.00 0.00 46.19 43.53 3ci2 s LEU 68 CO 0.17 -1.20 1.73 -0.36 0.02 0.00 0.00 176.35 176.72 3ci2 s PHE 69 N 4.31 1.89 0.51 0.29 0.08 -1.25 -3.10 117.98 120.70 3ci2 s PHE 69 Ca 0.54 0.67 0.07 0.00 0.12 0.00 0.00 56.93 58.34 3ci2 s PHE 69 Cb 0.04 -4.16 0.03 0.00 -0.57 0.00 0.00 43.02 38.36 3ci2 s PHE 69 CO 0.08 -2.55 0.51 0.14 -0.10 0.00 0.00 175.22 173.30 3ci2 s VAL 70 N 7.26 2.14 0.00 -0.44 -7.23 0.09 -2.97 120.40 119.25 3ci2 s VAL 70 Ca 0.72 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 3ci2 s VAL 70 Cb -0.17 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3ci2 s VAL 70 CO 0.29 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.18 3ci2 n ASP 71 N -1.83 0.00 -0.46 4.85 5.75 0.12 0.60 116.55 125.58 3ci2 n ASP 71 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.96 3ci2 n ASP 71 Cb 0.63 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.24 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 1.63 -1.67 0.11 5.02 -1.26 -3.64 118.16 118.36 3ci2 n LYS 72 Ca 0.00 -0.93 0.02 0.00 -2.02 0.00 0.00 58.31 55.38 3ci2 n LYS 72 Cb 0.00 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.60 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 0.13 1.61 -2.02 -0.35 4.77 -1.26 -4.99 117.00 114.89 3ci2 n LEU 73 Ca 0.19 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 3ci2 n LEU 73 Cb 0.33 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3ci2 n LEU 73 CO 0.16 0.84 0.00 -0.67 -1.33 0.00 0.00 177.39 176.39 3ci2 n ASP 74 N -0.05 -0.73 -4.83 -1.43 -0.08 -1.24 -4.86 116.55 103.33 3ci2 n ASP 74 Ca 0.10 0.37 -0.31 0.00 -1.51 0.00 0.00 54.79 53.44 3ci2 n ASP 74 Cb 0.99 -0.80 -0.06 0.00 2.34 0.00 0.00 41.12 43.60 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 3ci2 s ASN 75 N -1.59 5.87 -0.51 1.67 0.01 -1.26 -0.85 114.94 118.28 3ci2 s ASN 75 Ca 0.00 0.13 -0.28 0.00 -0.71 0.00 0.00 52.86 52.00 3ci2 s ASN 75 Cb 0.00 -1.69 0.01 0.00 0.41 0.00 0.00 41.25 39.97 3ci2 s ASN 75 CO 0.00 0.20 1.47 -0.63 -1.51 0.00 0.00 177.10 176.63 3ci2 s ILE 76 N -1.38 3.77 -0.14 0.60 1.01 0.19 0.16 121.20 125.40 3ci2 s ILE 76 Ca 0.30 0.69 -0.23 0.00 0.00 0.00 0.00 60.65 61.41 3ci2 s ILE 76 Cb -0.12 -4.28 -0.20 0.00 0.01 0.00 0.00 42.46 37.86 3ci2 s ILE 76 CO 0.22 -0.98 0.56 0.00 0.00 0.00 0.00 174.94 174.74 3ci2 h ALA 77 N 11.38 0.03 -3.76 9.38 0.00 -1.85 -1.98 119.26 132.45 3ci2 h ALA 77 Ca -0.27 -0.50 -0.68 0.00 0.00 0.00 0.00 54.91 53.46 3ci2 h ALA 77 Cb 1.11 0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 3ci2 h ALA 77 CO 1.14 0.09 -0.79 -1.14 0.00 0.00 0.00 179.25 178.56 3ci2 s GLN 78 N -2.13 1.95 0.35 0.00 0.74 -1.16 -4.99 119.66 114.42 3ci2 s GLN 78 Ca -0.17 -1.08 -0.27 0.00 0.05 0.00 0.00 55.36 53.89 3ci2 s GLN 78 Cb -0.01 -2.18 -0.09 0.00 1.10 0.00 0.00 33.01 31.82 3ci2 s GLN 78 CO 0.55 0.51 1.19 0.08 -0.55 0.00 0.00 175.29 177.07 3ci2 s VAL 79 N -1.09 3.11 0.43 1.34 1.01 -1.26 -4.80 120.40 119.14 3ci2 s VAL 79 Ca 0.17 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 3ci2 s VAL 79 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3ci2 s VAL 79 CO 0.09 0.19 0.71 -2.84 0.00 0.00 0.00 175.10 173.25 3ci2 s PRO 80 N -1.91 3.55 0.09 2.72 0.02 -1.26 -4.93 135.00 133.27 3ci2 s PRO 80 Ca 0.51 0.08 -0.18 0.00 0.02 0.00 0.00 61.00 61.43 3ci2 s PRO 80 Cb -0.34 -2.47 0.04 0.00 0.02 0.00 0.00 34.50 31.76 3ci2 s PRO 80 CO 0.44 -0.08 0.44 -0.98 -0.33 0.00 0.00 177.00 176.49 3ci2 s ARG 81 N -4.48 1.02 -0.42 5.54 1.70 -1.26 -0.71 118.95 120.34 3ci2 s ARG 81 Ca 0.46 -0.49 -0.29 0.00 -0.47 0.00 0.00 55.73 54.94 3ci2 s ARG 81 Cb -0.10 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 3ci2 s ARG 81 CO 0.41 -0.38 1.40 0.08 -1.08 0.00 0.00 175.30 175.72 3ci2 s VAL 82 N -3.11 3.91 0.00 4.99 1.01 0.19 -2.95 120.40 124.44 3ci2 s VAL 82 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3ci2 s VAL 82 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3ci2 s VAL 82 CO -0.07 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.85