#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ci2 n LEU 20 N 0.00 0.00 -4.41 3.41 7.94 -1.26 -5.11 117.00 117.57 2ci2 n LEU 20 Ca 0.00 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.52 2ci2 n LEU 20 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 2ci2 n LEU 20 CO 0.00 0.00 -0.23 -0.75 -1.11 0.00 0.00 177.39 175.30 2ci2 s LYS 21 N -0.59 3.31 0.00 1.96 2.20 -1.26 -4.94 119.74 120.42 2ci2 s LYS 21 Ca 0.00 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 2ci2 s LYS 21 Cb 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2ci2 s LYS 21 CO 0.00 -0.39 0.21 0.25 -0.36 0.00 0.00 175.35 175.05 2ci2 n THR 22 N 4.94 0.00 -3.82 3.43 -2.24 -1.26 -4.93 114.28 110.40 2ci2 n THR 22 Ca -0.14 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.05 2ci2 n THR 22 Cb 0.49 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.63 2ci2 n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2ci2 s GLU 23 N -0.52 0.28 -0.56 -0.78 -1.05 -1.26 -0.79 118.70 114.02 2ci2 s GLU 23 Ca 0.00 0.13 0.06 0.00 -0.15 0.00 0.00 54.97 55.01 2ci2 s GLU 23 Cb 0.00 0.13 0.33 0.00 -0.44 0.00 0.00 34.13 34.15 2ci2 s GLU 23 CO 0.00 -0.05 0.90 0.91 0.95 0.00 0.00 175.26 177.97 2ci2 n TRP 24 N 2.65 3.49 -0.18 4.83 8.01 -0.20 -4.91 117.44 131.13 2ci2 n TRP 24 Ca -0.15 -3.99 0.24 0.00 -1.31 0.00 0.00 57.50 52.29 2ci2 n TRP 24 Cb 0.58 -0.49 0.64 0.00 -2.01 0.00 0.00 31.31 30.03 2ci2 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2ci2 h PRO 25 N 3.12 0.15 0.00 -0.99 0.13 -1.93 0.72 132.00 133.21 2ci2 h PRO 25 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ci2 h PRO 25 Cb 0.58 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2ci2 h PRO 25 CO 0.78 0.10 0.00 -0.85 -0.23 0.00 0.00 178.00 177.80 2ci2 n GLU 26 N -4.38 0.12 0.03 0.86 0.00 -1.26 -2.98 120.64 113.03 2ci2 n GLU 26 Ca 0.18 0.21 0.11 0.00 0.00 0.00 0.00 57.16 57.66 2ci2 n GLU 26 Cb 0.82 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.80 2ci2 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ci2 n LEU 27 N -1.37 0.62 -4.67 -1.84 4.77 0.25 -4.91 117.00 109.85 2ci2 n LEU 27 Ca 0.05 0.02 -0.46 0.00 -0.03 0.00 0.00 56.01 55.59 2ci2 n LEU 27 Cb 0.12 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2ci2 n LEU 27 CO 0.11 0.03 1.24 0.52 -1.33 0.00 0.00 177.39 177.96 2ci2 n VAL 28 N -1.99 0.07 0.00 4.08 0.31 -1.16 -1.94 118.33 117.71 2ci2 n VAL 28 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2ci2 n VAL 28 Cb 0.44 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 2ci2 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ci2 n GLY 29 N 3.57 3.04 3.86 2.92 0.00 0.21 -4.96 105.19 113.83 2ci2 n GLY 29 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2ci2 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ci2 s LYS 30 N -0.87 3.68 0.77 1.61 1.02 -0.82 -4.52 119.74 120.61 2ci2 s LYS 30 Ca 0.00 0.82 -0.11 0.00 0.02 0.00 0.00 55.97 56.71 2ci2 s LYS 30 Cb 0.00 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 2ci2 s LYS 30 CO 0.00 -0.50 1.09 -1.54 -0.92 0.00 0.00 175.35 173.48 2ci2 s SER 31 N -3.83 4.54 0.30 2.83 1.04 -1.26 -0.13 113.70 117.20 2ci2 s SER 31 Ca 0.56 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.79 2ci2 s SER 31 Cb -0.11 -2.50 0.47 0.00 0.10 0.00 0.00 66.02 63.98 2ci2 s SER 31 CO 0.47 -2.00 1.83 0.58 0.98 0.00 0.00 173.24 175.10 2ci2 h VAL 32 N -1.11 1.22 0.09 5.02 2.07 -1.90 0.12 116.25 121.75 2ci2 h VAL 32 Ca -0.44 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 2ci2 h VAL 32 Cb 1.23 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2ci2 h VAL 32 CO 0.52 0.30 -0.04 -0.33 0.02 0.00 0.00 177.57 178.04 2ci2 h GLU 33 N 0.66 -0.11 0.09 1.57 4.39 -1.92 -0.44 114.58 118.82 2ci2 h GLU 33 Ca 0.14 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2ci2 h GLU 33 Cb 0.34 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2ci2 h GLU 33 CO 0.01 0.10 -0.04 0.93 -1.16 0.00 0.00 179.01 178.84 2ci2 h GLU 34 N -0.30 -0.11 -0.79 2.33 5.08 -1.90 -3.03 114.58 115.85 2ci2 h GLU 34 Ca -0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2ci2 h GLU 34 Cb 0.26 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2ci2 h GLU 34 CO 0.02 -0.02 0.52 0.00 -1.00 0.00 0.00 179.01 178.53 2ci2 h ALA 35 N 0.73 1.53 0.31 3.43 0.00 -0.63 -2.82 119.26 121.80 2ci2 h ALA 35 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ci2 h ALA 35 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ci2 h ALA 35 CO 0.02 0.39 -0.22 0.87 0.00 0.00 0.00 179.25 180.31 2ci2 h LYS 36 N 0.97 -0.51 -1.00 0.00 1.57 -1.01 -2.02 116.57 114.57 2ci2 h LYS 36 Ca 0.32 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.34 2ci2 h LYS 36 Cb 0.05 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.36 2ci2 h LYS 36 CO -0.09 -0.34 0.61 -0.22 -0.57 0.00 0.00 179.45 178.84 2ci2 h LYS 37 N -0.53 0.68 0.03 3.15 3.64 -1.39 0.15 116.57 122.30 2ci2 h LYS 37 Ca -0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2ci2 h LYS 37 Cb 0.46 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2ci2 h LYS 37 CO 0.00 0.45 -0.02 0.28 -2.27 0.00 0.00 179.45 177.90 2ci2 h VAL 38 N 0.70 1.26 -0.53 2.00 2.07 -1.36 -3.06 116.25 117.32 2ci2 h VAL 38 Ca 0.59 -1.75 0.08 0.00 0.82 0.00 0.00 66.70 66.44 2ci2 h VAL 38 Cb 1.00 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 33.01 2ci2 h VAL 38 CO -0.39 0.40 0.18 0.40 0.02 0.00 0.00 177.57 178.18 2ci2 h ILE 39 N -0.92 0.80 0.00 4.57 2.04 -1.09 -1.14 117.51 121.77 2ci2 h ILE 39 Ca -0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2ci2 h ILE 39 Cb 0.68 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2ci2 h ILE 39 CO 0.01 0.06 -0.20 -0.07 0.00 0.00 0.00 178.15 177.95 2ci2 h LEU 40 N 0.35 0.00 0.10 1.44 3.38 -0.82 0.72 115.31 120.48 2ci2 h LEU 40 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2ci2 h LEU 40 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2ci2 h LEU 40 CO -0.28 0.20 -0.05 -0.61 0.09 0.00 0.00 178.44 177.79 2ci2 h GLN 41 N 0.00 -0.13 0.00 1.13 4.15 -1.13 -2.70 115.11 116.43 2ci2 h GLN 41 Ca -0.00 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 2ci2 h GLN 41 Cb 0.41 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2ci2 h GLN 41 CO 0.03 0.08 -0.64 -0.44 -1.93 0.00 0.00 178.83 175.93 2ci2 h ASP 42 N -0.33 0.00 -1.98 -0.69 3.32 -0.78 -3.40 116.42 112.56 2ci2 h ASP 42 Ca -0.01 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.54 2ci2 h ASP 42 Cb 0.28 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.49 2ci2 h ASP 42 CO 0.02 0.55 -0.90 1.17 -1.72 0.00 0.00 179.24 178.36 2ci2 n LYS 43 N -3.20 0.35 0.14 3.56 4.81 0.25 -4.88 118.16 119.19 2ci2 n LYS 43 Ca 0.01 -2.94 0.19 0.00 -0.87 0.00 0.00 58.31 54.70 2ci2 n LYS 43 Cb 0.76 -1.55 0.73 0.00 0.02 0.00 0.00 35.03 34.99 2ci2 n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2ci2 h PRO 44 N 5.18 0.00 -0.10 1.64 0.11 -1.68 -0.97 132.00 136.19 2ci2 h PRO 44 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2ci2 h PRO 44 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2ci2 h PRO 44 CO 0.33 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.27 2ci2 n GLU 45 N -3.45 2.16 -1.77 1.05 0.00 -1.26 -4.99 120.64 112.37 2ci2 n GLU 45 Ca 0.06 -1.70 -0.41 0.00 0.00 0.00 0.00 57.16 55.11 2ci2 n GLU 45 Cb 0.62 -1.47 -0.00 0.00 0.00 0.00 0.00 31.44 30.59 2ci2 n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ci2 n ALA 46 N 1.02 2.40 -3.30 -1.84 0.00 -0.37 -4.84 120.51 113.58 2ci2 n ALA 46 Ca 0.16 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 2ci2 n ALA 46 Cb 0.52 -2.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 2ci2 n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2ci2 s GLN 47 N -1.84 2.59 -0.19 0.00 -1.52 0.25 -4.97 119.66 113.98 2ci2 s GLN 47 Ca 0.55 -1.47 -0.24 0.00 -1.95 0.00 0.00 55.36 52.25 2ci2 s GLN 47 Cb -0.48 -3.78 -0.02 0.00 -0.22 0.00 0.00 33.01 28.51 2ci2 s GLN 47 CO 0.61 -0.96 0.78 0.42 -0.25 0.00 0.00 175.29 175.89 2ci2 s ILE 48 N 1.42 4.91 -0.10 1.08 1.01 -1.26 -0.66 121.20 127.59 2ci2 s ILE 48 Ca 0.03 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.22 2ci2 s ILE 48 Cb -0.23 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2ci2 s ILE 48 CO 0.02 0.03 -0.19 -0.63 0.00 0.00 0.00 174.94 174.17 2ci2 s ILE 49 N 2.19 2.56 -0.30 2.92 -1.09 -0.09 -4.97 121.20 122.41 2ci2 s ILE 49 Ca 0.35 -0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2ci2 s ILE 49 Cb -0.16 -2.02 0.04 0.00 -1.58 0.00 0.00 42.46 38.74 2ci2 s ILE 49 CO 0.11 0.55 0.02 -0.69 -1.23 0.00 0.00 174.94 173.70 2ci2 s VAL 50 N 0.18 3.27 0.12 2.92 1.01 -1.26 0.15 120.40 126.79 2ci2 s VAL 50 Ca -0.11 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.76 2ci2 s VAL 50 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2ci2 s VAL 50 CO 0.06 -0.06 -0.18 -0.76 0.00 0.00 0.00 175.10 174.16 2ci2 s LEU 51 N 1.33 2.36 0.45 3.92 1.43 0.43 -4.96 118.68 123.64 2ci2 s LEU 51 Ca -0.03 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.09 2ci2 s LEU 51 Cb -0.19 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 2ci2 s LEU 51 CO -0.00 -0.01 1.18 -2.84 0.23 0.00 0.00 176.35 174.91 2ci2 s PRO 52 N -2.29 3.77 0.42 1.29 0.02 -1.26 -0.47 135.00 136.47 2ci2 s PRO 52 Ca 0.09 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 62.67 2ci2 s PRO 52 Cb -0.08 -2.45 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 2ci2 s PRO 52 CO 0.05 -0.56 1.44 0.08 -0.33 0.00 0.00 177.00 177.67 2ci2 s VAL 53 N -1.50 2.12 0.00 3.83 1.01 -0.51 -2.82 120.40 122.53 2ci2 s VAL 53 Ca 0.63 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2ci2 s VAL 53 Cb -0.30 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2ci2 s VAL 53 CO 0.37 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2ci2 n GLY 54 N 0.55 0.64 3.71 4.51 0.00 -1.26 -5.03 105.19 108.32 2ci2 n GLY 54 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2ci2 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ci2 s THR 55 N -2.32 4.86 -0.31 2.61 2.01 -1.13 -5.03 115.64 116.33 2ci2 s THR 55 Ca 0.00 2.05 -0.21 0.00 0.31 0.00 0.00 61.69 63.85 2ci2 s THR 55 Cb 0.00 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2ci2 s THR 55 CO 0.00 0.17 0.66 -0.63 -0.69 0.00 0.00 174.62 174.12 2ci2 s ILE 56 N 0.97 4.91 0.36 1.82 1.01 -1.26 -5.06 121.20 123.95 2ci2 s ILE 56 Ca 0.52 0.90 0.07 0.00 0.00 0.00 0.00 60.65 62.14 2ci2 s ILE 56 Cb -0.21 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 2ci2 s ILE 56 CO 0.28 -0.16 0.42 0.68 0.00 0.00 0.00 174.94 176.16 2ci2 s VAL 57 N 2.67 3.59 0.13 2.92 -7.23 -1.26 -5.09 120.40 116.13 2ci2 s VAL 57 Ca 0.26 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 2ci2 s VAL 57 Cb -0.15 -3.23 -0.07 0.00 0.56 0.00 0.00 36.38 33.50 2ci2 s VAL 57 CO 0.12 -0.12 1.06 -0.89 -0.31 0.00 0.00 175.10 174.96 2ci2 s THR 58 N -2.27 4.15 -0.31 5.32 2.01 -1.26 -4.92 115.64 118.36 2ci2 s THR 58 Ca 0.46 1.77 0.00 0.00 0.31 0.00 0.00 61.69 64.23 2ci2 s THR 58 Cb -0.08 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2ci2 s THR 58 CO 0.30 0.27 0.13 0.80 -0.69 0.00 0.00 174.62 175.43 2ci2 n MET 59 N 2.77 0.16 -3.23 4.92 0.00 -1.26 -4.78 117.12 115.69 2ci2 n MET 59 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.35 2ci2 n MET 59 Cb 0.47 -1.32 -0.06 0.00 0.00 0.00 0.00 33.22 32.32 2ci2 n MET 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 2ci2 s GLU 60 N 0.28 4.30 -0.32 2.12 -1.05 -1.26 -5.06 118.70 117.71 2ci2 s GLU 60 Ca 0.00 0.52 -0.18 0.00 -0.15 0.00 0.00 54.97 55.16 2ci2 s GLU 60 Cb 0.00 -3.49 -0.01 0.00 -0.44 0.00 0.00 34.13 30.19 2ci2 s GLU 60 CO 0.00 0.02 0.51 -0.47 0.95 0.00 0.00 175.26 176.27 2ci2 s TYR 61 N 1.07 3.21 -0.19 4.83 6.14 -1.26 -5.03 117.35 126.11 2ci2 s TYR 61 Ca 0.28 0.35 0.01 0.00 0.64 0.00 0.00 57.07 58.34 2ci2 s TYR 61 Cb -0.16 -2.86 0.04 0.00 0.42 0.00 0.00 41.96 39.41 2ci2 s TYR 61 CO 0.11 -0.45 -0.09 1.03 0.64 0.00 0.00 175.55 176.79 2ci2 s ARG 62 N 2.37 1.93 0.53 4.97 1.81 -1.26 -5.02 118.95 124.28 2ci2 s ARG 62 Ca 0.20 -0.79 0.21 0.00 -1.72 0.00 0.00 55.73 53.63 2ci2 s ARG 62 Cb -0.15 -2.36 1.36 0.00 -0.45 0.00 0.00 34.95 33.35 2ci2 s ARG 62 CO 0.12 -0.43 2.07 0.97 -0.68 0.00 0.00 175.30 177.35 2ci2 h ILE 63 N 6.40 0.84 -0.02 1.52 2.10 -1.94 -2.12 117.51 124.28 2ci2 h ILE 63 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.67 2ci2 h ILE 63 Cb 1.10 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 2ci2 h ILE 63 CO 0.46 0.00 -0.07 -0.90 -1.08 0.00 0.00 178.15 176.56 2ci2 n ASP 64 N -4.42 1.90 -4.86 2.19 5.75 -1.26 -4.68 116.55 111.17 2ci2 n ASP 64 Ca 0.04 -1.56 -0.37 0.00 -0.01 0.00 0.00 54.79 52.89 2ci2 n ASP 64 Cb 0.37 0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 2ci2 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2ci2 s ARG 65 N -2.11 3.63 -0.23 0.11 3.52 -0.81 0.85 118.95 123.92 2ci2 s ARG 65 Ca 0.32 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.98 2ci2 s ARG 65 Cb 0.20 -3.19 0.07 0.00 -1.56 0.00 0.00 34.95 30.47 2ci2 s ARG 65 CO 0.37 0.74 0.02 0.08 -0.81 0.00 0.00 175.30 175.69 2ci2 s VAL 66 N -1.07 0.88 -0.05 7.11 1.01 0.16 -1.31 120.40 127.13 2ci2 s VAL 66 Ca 0.19 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 2ci2 s VAL 66 Cb -0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2ci2 s VAL 66 CO 0.09 -0.26 0.67 -0.13 0.00 0.00 0.00 175.10 175.47 2ci2 s ARG 67 N 1.68 4.42 -0.23 2.72 0.52 -1.25 -0.91 118.95 125.90 2ci2 s ARG 67 Ca -0.01 0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 55.98 2ci2 s ARG 67 Cb -0.18 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 2ci2 s ARG 67 CO -0.10 0.13 0.05 -0.51 0.02 0.00 0.00 175.30 174.89 2ci2 s LEU 68 N 0.58 3.47 -0.39 2.53 1.43 0.39 -4.33 118.68 122.37 2ci2 s LEU 68 Ca 0.36 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 2ci2 s LEU 68 Cb -0.18 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.14 2ci2 s LEU 68 CO 0.18 0.03 0.29 -0.36 0.23 0.00 0.00 176.35 176.71 2ci2 s PHE 69 N 1.25 3.23 0.16 0.29 0.40 -1.25 -0.42 117.98 121.64 2ci2 s PHE 69 Ca 0.04 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2ci2 s PHE 69 Cb -0.15 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.78 2ci2 s PHE 69 CO 0.03 -0.52 0.14 0.14 0.70 0.00 0.00 175.22 175.71 2ci2 s VAL 70 N 1.71 4.52 0.72 -0.44 -7.23 0.38 -0.63 120.40 119.43 2ci2 s VAL 70 Ca 0.06 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2ci2 s VAL 70 Cb -0.18 -3.30 0.13 0.00 0.56 0.00 0.00 36.38 33.59 2ci2 s VAL 70 CO 0.10 -0.09 0.99 1.51 -0.31 0.00 0.00 175.10 177.30 2ci2 s ASP 71 N -3.06 4.34 0.61 4.85 -4.77 -0.81 -1.42 116.67 116.41 2ci2 s ASP 71 Ca 0.31 -0.47 0.31 0.00 -3.30 0.00 0.00 52.55 49.39 2ci2 s ASP 71 Cb -0.10 0.13 1.69 0.00 -1.09 0.00 0.00 42.92 43.55 2ci2 s ASP 71 CO 0.23 -1.88 2.04 0.11 0.70 0.00 0.00 175.17 176.38 2ci2 h LYS 72 N -0.50 0.00 -0.33 2.11 1.57 -2.01 -0.20 116.57 117.21 2ci2 h LYS 72 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2ci2 h LYS 72 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2ci2 h LYS 72 CO 0.39 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.55 2ci2 n LEU 73 N -3.50 3.07 -1.04 2.94 4.77 -1.26 -4.98 117.00 117.00 2ci2 n LEU 73 Ca 0.02 -1.56 -0.06 0.00 -0.03 0.00 0.00 56.01 54.38 2ci2 n LEU 73 Cb 0.38 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2ci2 n LEU 73 CO 0.23 0.68 -0.00 0.47 -1.33 0.00 0.00 177.39 177.45 2ci2 n ASP 74 N 1.09 -2.85 -4.89 -1.43 8.00 -0.09 -5.01 116.55 111.38 2ci2 n ASP 74 Ca 0.15 -0.08 -0.27 0.00 0.71 0.00 0.00 54.79 55.30 2ci2 n ASP 74 Cb 0.50 -1.79 -0.04 0.00 -0.02 0.00 0.00 41.12 39.77 2ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2ci2 s ASN 75 N -2.91 6.07 -0.10 -2.24 0.01 -1.26 -2.99 114.94 111.52 2ci2 s ASN 75 Ca 0.09 0.09 -0.30 0.00 -0.71 0.00 0.00 52.86 52.03 2ci2 s ASN 75 Cb -0.04 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 2ci2 s ASN 75 CO 0.11 0.08 1.33 -0.63 -1.51 0.00 0.00 177.10 176.47 2ci2 s ILE 76 N -1.70 4.09 -0.13 0.60 1.09 0.82 -1.93 121.20 124.04 2ci2 s ILE 76 Ca 0.33 1.37 0.22 0.00 -1.10 0.00 0.00 60.65 61.47 2ci2 s ILE 76 Cb -0.11 -3.88 -0.27 0.00 -1.06 0.00 0.00 42.46 37.14 2ci2 s ILE 76 CO 0.27 -0.08 0.62 0.00 -0.10 0.00 0.00 174.94 175.65 2ci2 n ALA 77 N 6.21 2.87 -2.14 9.38 0.00 0.20 0.68 120.51 137.72 2ci2 n ALA 77 Ca 0.14 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 2ci2 n ALA 77 Cb 0.45 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 2ci2 n ALA 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2ci2 s GLU 78 N -3.46 0.78 -0.02 0.00 -1.05 -1.25 -4.92 118.70 108.78 2ci2 s GLU 78 Ca -0.05 -1.32 -0.30 0.00 -0.15 0.00 0.00 54.97 53.15 2ci2 s GLU 78 Cb 0.13 0.03 -0.07 0.00 -0.44 0.00 0.00 34.13 33.78 2ci2 s GLU 78 CO 0.88 -0.10 1.76 0.08 0.95 0.00 0.00 175.26 178.83 2ci2 s VAL 79 N -3.81 3.39 0.38 1.83 1.01 -1.26 -4.68 120.40 117.26 2ci2 s VAL 79 Ca 0.13 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 2ci2 s VAL 79 Cb 0.07 -3.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 2ci2 s VAL 79 CO -0.05 -0.04 1.32 -2.84 0.00 0.00 0.00 175.10 173.49 2ci2 s PRO 80 N 4.15 4.09 0.03 2.72 0.02 -1.26 -4.86 135.00 139.89 2ci2 s PRO 80 Ca 0.78 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.90 2ci2 s PRO 80 Cb -0.36 -2.86 0.01 0.00 0.02 0.00 0.00 34.50 31.30 2ci2 s PRO 80 CO 0.33 -0.42 0.24 1.03 -0.33 0.00 0.00 177.00 177.86 2ci2 s ARG 81 N -2.10 0.71 0.42 5.54 0.52 -1.26 -1.03 118.95 121.74 2ci2 s ARG 81 Ca 0.54 -0.51 -0.24 0.00 -0.52 0.00 0.00 55.73 55.01 2ci2 s ARG 81 Cb -0.39 0.30 -0.08 0.00 0.52 0.00 0.00 34.95 35.29 2ci2 s ARG 81 CO 0.51 -0.21 1.10 0.08 0.02 0.00 0.00 175.30 176.81 2ci2 s VAL 82 N -2.27 3.44 0.00 3.52 1.01 0.03 -3.91 120.40 122.21 2ci2 s VAL 82 Ca -0.07 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2ci2 s VAL 82 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2ci2 s VAL 82 CO -0.02 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70