#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 3.80 -0.06 1.47 5.02 -1.26 -4.58 118.16 122.55 3ci2 n LYS 21 Ca 0.00 -4.49 0.12 0.00 -2.02 0.00 0.00 58.31 51.92 3ci2 n LYS 21 Cb 0.00 -2.53 0.19 0.00 -0.02 0.00 0.00 35.03 32.67 3ci2 n LYS 21 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ci2 n THR 22 N 2.23 0.16 -4.05 -0.18 -2.24 -1.26 -4.85 114.28 104.09 3ci2 n THR 22 Ca 0.25 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.41 3ci2 n THR 22 Cb 0.37 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.84 0.50 -0.68 -0.78 -1.05 -1.26 0.46 118.70 114.06 3ci2 s GLU 23 Ca 0.32 -0.98 0.05 0.00 -0.15 0.00 0.00 54.97 54.22 3ci2 s GLU 23 Cb 0.21 0.14 0.24 0.00 -0.44 0.00 0.00 34.13 34.27 3ci2 s GLU 23 CO 0.31 -0.08 0.74 0.91 0.95 0.00 0.00 175.26 178.09 3ci2 n TRP 24 N 0.71 3.55 0.14 4.83 8.01 0.14 -4.87 117.44 129.94 3ci2 n TRP 24 Ca -0.18 -4.11 -0.01 0.00 -1.31 0.00 0.00 57.50 51.89 3ci2 n TRP 24 Cb 0.59 -0.62 0.22 0.00 -2.01 0.00 0.00 31.31 29.49 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 4.47 0.05 0.00 -0.99 0.13 -1.95 -2.40 132.00 131.31 3ci2 h PRO 25 Ca 0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3ci2 h PRO 25 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3ci2 h PRO 25 CO 0.84 0.57 0.00 -0.85 -0.23 0.00 0.00 178.00 178.33 3ci2 n GLU 26 N -3.91 0.30 0.00 0.86 0.00 -1.26 -0.89 120.64 115.74 3ci2 n GLU 26 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.23 3ci2 n GLU 26 Cb 0.55 -1.35 -0.06 0.00 0.00 0.00 0.00 31.44 30.57 3ci2 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3ci2 n LEU 27 N -0.85 1.15 -4.59 -1.84 4.77 -0.90 -4.90 117.00 109.84 3ci2 n LEU 27 Ca 0.05 -0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 3ci2 n LEU 27 Cb 0.02 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3ci2 n LEU 27 CO 0.04 0.25 1.62 -0.69 -1.33 0.00 0.00 177.39 177.28 3ci2 s VAL 28 N -2.41 3.36 0.00 4.08 1.01 -0.07 -0.01 120.40 126.36 3ci2 s VAL 28 Ca 0.10 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3ci2 s VAL 28 Cb 0.13 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3ci2 s VAL 28 CO 0.61 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3ci2 n GLY 29 N 5.55 1.09 3.76 4.51 0.00 -1.16 -5.02 105.19 113.91 3ci2 n GLY 29 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.32 2.34 0.71 1.61 -0.14 0.98 -4.85 119.74 120.07 3ci2 s LYS 30 Ca 0.00 -1.65 -0.04 0.00 -1.36 0.00 0.00 55.97 52.91 3ci2 s LYS 30 Cb 0.00 -2.14 0.09 0.00 -1.68 0.00 0.00 37.83 34.10 3ci2 s LYS 30 CO 0.00 -0.02 1.00 0.45 -0.76 0.00 0.00 175.35 176.02 3ci2 s SER 31 N -3.91 4.57 -0.12 2.83 0.15 -1.26 0.02 113.70 115.97 3ci2 s SER 31 Ca 0.41 0.10 -0.13 0.00 0.70 0.00 0.00 55.95 57.02 3ci2 s SER 31 Cb -0.00 -0.65 -0.11 0.00 -1.71 0.00 0.00 66.02 63.55 3ci2 s SER 31 CO 0.23 -1.72 0.30 1.62 1.20 0.00 0.00 173.24 174.88 3ci2 h VAL 32 N -0.56 0.75 0.00 4.45 3.04 0.32 0.92 116.25 125.17 3ci2 h VAL 32 Ca -0.42 -1.58 -0.00 0.00 -1.01 0.00 0.00 66.70 63.69 3ci2 h VAL 32 Cb 1.29 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 32.01 3ci2 h VAL 32 CO 0.50 0.25 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.97 3ci2 h GLU 33 N -1.00 0.00 -0.00 4.17 4.39 -1.97 0.18 114.58 120.35 3ci2 h GLU 33 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3ci2 h GLU 33 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3ci2 h GLU 33 CO -0.01 0.02 -0.10 1.49 -1.16 0.00 0.00 179.01 179.25 3ci2 h GLU 34 N 0.00 0.07 -0.60 2.33 4.81 -1.94 -2.27 114.58 116.97 3ci2 h GLU 34 Ca -0.00 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3ci2 h GLU 34 Cb 0.15 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.44 3ci2 h GLU 34 CO 0.00 0.85 -0.27 0.00 -0.73 0.00 0.00 179.01 178.86 3ci2 h ALA 35 N 0.22 0.14 -0.74 2.92 0.00 0.24 0.66 119.26 122.71 3ci2 h ALA 35 Ca -0.01 0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.26 3ci2 h ALA 35 Cb 0.88 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 3ci2 h ALA 35 CO 0.02 -0.58 0.10 -0.22 0.00 0.00 0.00 179.25 178.57 3ci2 h LYS 36 N -0.11 0.18 0.12 0.00 3.64 -0.74 0.41 116.57 120.08 3ci2 h LYS 36 Ca 0.26 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3ci2 h LYS 36 Cb 0.53 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3ci2 h LYS 36 CO -0.67 0.12 -0.25 -0.22 -2.27 0.00 0.00 179.45 176.16 3ci2 h LYS 37 N 0.19 -0.44 -0.25 1.90 3.64 0.90 0.29 116.57 122.80 3ci2 h LYS 37 Ca 0.41 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 3ci2 h LYS 37 Cb 0.73 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3ci2 h LYS 37 CO -0.57 -0.29 0.13 0.28 -2.27 0.00 0.00 179.45 176.72 3ci2 h VAL 38 N -0.46 1.00 -0.04 2.00 2.07 0.31 0.98 116.25 122.11 3ci2 h VAL 38 Ca 0.03 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3ci2 h VAL 38 Cb 0.48 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ci2 h VAL 38 CO -0.14 0.05 -0.13 0.40 0.02 0.00 0.00 177.57 177.77 3ci2 h ILE 39 N 0.28 0.66 -0.68 4.57 2.04 0.11 0.18 117.51 124.67 3ci2 h ILE 39 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3ci2 h ILE 39 Cb 0.02 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3ci2 h ILE 39 CO -0.06 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.35 3ci2 h LEU 40 N -0.20 0.87 -2.48 1.44 3.38 -0.29 0.37 115.31 118.39 3ci2 h LEU 40 Ca 0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ci2 h LEU 40 Cb 0.28 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ci2 h LEU 40 CO -0.16 0.73 0.06 -0.61 0.09 0.00 0.00 178.44 178.55 3ci2 h GLN 41 N 0.96 0.00 0.00 1.13 5.75 0.19 -3.21 115.11 119.92 3ci2 h GLN 41 Ca 0.24 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.41 3ci2 h GLN 41 Cb 0.09 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 3ci2 h GLN 41 CO -0.03 0.00 -1.88 -3.47 -2.65 0.00 0.00 178.83 170.80 3ci2 n ASP 42 N -3.67 1.92 -3.67 -0.69 2.03 0.10 -4.80 116.55 107.76 3ci2 n ASP 42 Ca -0.02 0.38 -0.28 0.00 0.52 0.00 0.00 54.79 55.40 3ci2 n ASP 42 Cb 0.15 -0.86 -0.10 0.00 -0.72 0.00 0.00 41.12 39.59 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 -4.35 2.17 0.00 -0.67 0.00 0.11 -5.03 118.16 110.40 3ci2 n LYS 43 Ca -0.41 -4.58 0.00 0.00 0.00 0.00 0.00 58.31 53.32 3ci2 n LYS 43 Cb 0.75 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.51 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 1.42 0.00 0.00 1.64 -0.02 -1.21 -0.98 135.00 135.85 3ci2 n PRO 44 Ca 0.25 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 3ci2 n PRO 44 Cb 0.38 0.00 0.53 0.00 -0.02 0.00 0.00 33.50 34.39 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 -1.96 1.60 -1.51 -0.52 0.00 -1.26 -4.90 120.64 112.09 3ci2 n GLU 45 Ca 0.00 -0.91 -0.36 0.00 0.00 0.00 0.00 57.16 55.89 3ci2 n GLU 45 Cb 0.00 -1.48 -0.15 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 0.09 0.50 -2.02 -1.84 0.00 -0.15 -4.78 120.51 112.31 3ci2 n ALA 46 Ca 0.19 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3ci2 n ALA 46 Cb 0.35 -2.41 -0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 7.96 3.91 -2.31 0.00 1.13 0.19 -4.88 117.38 123.37 3ci2 n GLN 47 Ca 0.63 -3.25 -0.42 0.00 -1.94 0.00 0.00 57.00 52.03 3ci2 n GLN 47 Cb 0.11 -2.84 -0.03 0.00 0.11 0.00 0.00 30.24 27.59 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 0.33 3.84 -0.10 5.09 1.01 -1.26 -4.57 121.20 125.54 3ci2 s ILE 48 Ca 0.49 1.26 0.03 0.00 0.00 0.00 0.00 60.65 62.43 3ci2 s ILE 48 Cb 0.14 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.81 3ci2 s ILE 48 CO -0.05 0.04 -0.19 -0.63 0.00 0.00 0.00 174.94 174.11 3ci2 s ILE 49 N 1.85 1.73 0.57 2.92 1.09 -1.26 -5.01 121.20 123.09 3ci2 s ILE 49 Ca 0.61 -0.81 -0.12 0.00 -1.10 0.00 0.00 60.65 59.24 3ci2 s ILE 49 Cb -0.30 -1.53 -0.05 0.00 -1.06 0.00 0.00 42.46 39.52 3ci2 s ILE 49 CO 0.27 0.49 0.98 0.54 -0.10 0.00 0.00 174.94 177.11 3ci2 s VAL 50 N 0.63 4.70 0.02 2.92 0.11 -1.26 -4.03 120.40 123.48 3ci2 s VAL 50 Ca -0.13 0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 59.77 3ci2 s VAL 50 Cb -0.16 -3.83 -0.02 0.00 -1.53 0.00 0.00 36.38 30.84 3ci2 s VAL 50 CO 0.04 -0.99 0.01 -0.76 -3.33 0.00 0.00 175.10 170.07 3ci2 s LEU 51 N -4.83 2.12 -0.02 2.54 1.02 -0.68 -4.93 118.68 113.90 3ci2 s LEU 51 Ca 0.55 -0.52 -0.24 0.00 0.02 0.00 0.00 54.13 53.94 3ci2 s LEU 51 Cb -0.11 0.25 -0.04 0.00 0.02 0.00 0.00 46.19 46.31 3ci2 s LEU 51 CO 0.47 -0.37 0.74 -2.16 0.02 0.00 0.00 176.35 175.06 3ci2 s PRO 52 N -1.85 4.46 0.08 1.29 0.04 -1.26 -2.01 135.00 135.75 3ci2 s PRO 52 Ca -0.12 0.98 -0.36 0.00 0.04 0.00 0.00 61.00 61.55 3ci2 s PRO 52 Cb -0.07 -3.41 -0.18 0.00 0.04 0.00 0.00 34.50 30.88 3ci2 s PRO 52 CO -0.02 0.15 0.99 0.28 0.04 0.00 0.00 177.00 178.44 3ci2 n VAL 53 N 3.40 0.61 0.00 -0.36 0.31 0.13 -2.18 118.33 120.24 3ci2 n VAL 53 Ca -0.01 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3ci2 n VAL 53 Cb 0.51 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 1.80 2.25 3.40 2.92 0.00 -1.26 -5.00 105.19 109.30 3ci2 n GLY 54 Ca 0.18 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -1.54 2.61 -1.04 -0.93 -4.75 114.28 108.64 3ci2 n THR 55 Ca 0.00 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.05 61.31 3ci2 n THR 55 Cb 0.00 -0.86 -0.09 0.00 -1.82 0.00 0.00 70.33 67.56 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 6.74 -0.04 -2.91 12.58 2.08 -1.26 -4.86 119.36 131.69 3ci2 n ILE 56 Ca 0.40 -0.53 -0.08 0.00 0.56 0.00 0.00 62.75 63.11 3ci2 n ILE 56 Cb 0.36 -1.81 0.03 0.00 -0.75 0.00 0.00 39.64 37.48 3ci2 n ILE 56 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 3ci2 n VAL 57 N 7.81 0.00 -3.48 1.39 0.24 -1.26 -5.11 118.33 117.93 3ci2 n VAL 57 Ca 0.49 -0.72 -0.35 0.00 -2.04 0.00 0.00 64.34 61.72 3ci2 n VAL 57 Cb 0.37 -0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 31.80 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 -0.50 4.99 -0.44 3.34 2.01 -1.26 -4.98 115.64 118.80 3ci2 s THR 58 Ca 0.24 0.62 -0.01 0.00 0.31 0.00 0.00 61.69 62.85 3ci2 s THR 58 Cb -0.02 -3.69 0.29 0.00 0.01 0.00 0.00 72.50 69.10 3ci2 s THR 58 CO 0.15 0.27 2.03 0.23 -0.69 0.00 0.00 174.62 176.62 3ci2 n MET 59 N 0.88 2.11 -0.54 4.92 2.81 -1.26 -4.91 117.12 121.12 3ci2 n MET 59 Ca -0.07 -2.16 -0.06 0.00 -1.81 0.00 0.00 57.70 53.60 3ci2 n MET 59 Cb 0.52 -1.85 0.04 0.00 -0.71 0.00 0.00 33.22 31.22 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3ci2 n GLU 60 N -0.08 -0.08 -3.34 0.03 0.28 -1.26 -5.09 120.64 111.11 3ci2 n GLU 60 Ca 0.41 -0.45 -0.26 0.00 -0.16 0.00 0.00 57.16 56.71 3ci2 n GLU 60 Cb 0.60 -0.24 -0.09 0.00 1.43 0.00 0.00 31.44 33.15 3ci2 n GLU 60 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3ci2 n TYR 61 N -2.20 -0.14 -2.28 -1.84 4.19 -1.26 -4.63 117.16 109.01 3ci2 n TYR 61 Ca 0.03 -3.53 -0.42 0.00 3.31 0.00 0.00 57.90 57.29 3ci2 n TYR 61 Cb 0.12 -0.11 0.00 0.00 0.49 0.00 0.00 39.34 39.84 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 2.03 3.81 0.00 2.98 5.12 -1.26 -4.80 116.66 124.54 3ci2 n ARG 62 Ca 0.25 -3.52 0.00 0.00 -1.93 0.00 0.00 57.85 52.65 3ci2 n ARG 62 Cb 0.49 -2.86 0.00 0.00 -1.16 0.00 0.00 32.46 28.93 3ci2 n ARG 62 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3ci2 n ILE 63 N 3.00 0.06 1.06 0.55 0.13 -1.26 0.12 119.36 123.03 3ci2 n ILE 63 Ca 0.44 0.07 0.13 0.00 -1.10 0.00 0.00 62.75 62.29 3ci2 n ILE 63 Cb 0.34 -1.07 0.44 0.00 -0.84 0.00 0.00 39.64 38.50 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 -0.67 0.33 -4.20 9.51 5.68 -1.26 -4.82 116.55 121.12 3ci2 n ASP 64 Ca 0.00 -0.05 -0.21 0.00 -0.50 0.00 0.00 54.79 54.04 3ci2 n ASP 64 Cb 0.06 -0.07 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 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 -2.91 0.97 -0.19 0.11 3.52 0.12 0.52 118.95 121.09 3ci2 s ARG 65 Ca 0.15 -0.97 -0.00 0.00 -0.13 0.00 0.00 55.73 54.77 3ci2 s ARG 65 Cb 0.18 -1.06 0.01 0.00 -1.56 0.00 0.00 34.95 32.53 3ci2 s ARG 65 CO 0.60 0.25 -0.15 0.08 -0.81 0.00 0.00 175.30 175.27 3ci2 s VAL 66 N -1.12 2.50 -0.30 7.11 1.01 -1.26 -0.18 120.40 128.16 3ci2 s VAL 66 Ca 0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 3ci2 s VAL 66 Cb -0.09 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.22 3ci2 s VAL 66 CO 0.03 0.50 1.07 -0.60 0.00 0.00 0.00 175.10 176.10 3ci2 s ARG 67 N 1.29 4.10 -0.63 2.72 6.06 0.88 -4.28 118.95 129.09 3ci2 s ARG 67 Ca 0.04 1.14 -0.07 0.00 -2.50 0.00 0.00 55.73 54.33 3ci2 s ARG 67 Cb -0.14 -3.72 0.16 0.00 0.06 0.00 0.00 34.95 31.32 3ci2 s ARG 67 CO -0.09 -0.85 0.50 -0.51 -2.50 0.00 0.00 175.30 171.85 3ci2 s LEU 68 N 3.57 5.76 -0.67 -0.88 1.02 -1.26 -2.74 118.68 123.49 3ci2 s LEU 68 Ca 0.45 -2.55 -0.27 0.00 0.02 0.00 0.00 54.13 51.78 3ci2 s LEU 68 Cb -0.13 -1.99 0.03 0.00 0.02 0.00 0.00 46.19 44.12 3ci2 s LEU 68 CO 0.14 -0.51 1.28 -0.36 0.02 0.00 0.00 176.35 176.91 3ci2 s PHE 69 N 0.39 2.37 0.53 0.29 0.08 -1.26 -1.69 117.98 118.68 3ci2 s PHE 69 Ca 0.14 0.17 0.06 0.00 0.12 0.00 0.00 56.93 57.42 3ci2 s PHE 69 Cb -0.19 -4.56 0.03 0.00 -0.57 0.00 0.00 43.02 37.73 3ci2 s PHE 69 CO -0.04 -1.91 0.42 0.14 -0.10 0.00 0.00 175.22 173.72 3ci2 s VAL 70 N 5.60 1.84 0.00 -0.44 -7.23 -0.85 -1.77 120.40 117.54 3ci2 s VAL 70 Ca 0.40 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3ci2 s VAL 70 Cb -0.08 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.58 3ci2 s VAL 70 CO 0.19 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.08 3ci2 n ASP 71 N -1.75 0.00 -0.25 4.85 5.75 0.13 0.23 116.55 125.50 3ci2 n ASP 71 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.93 3ci2 n ASP 71 Cb 0.64 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.33 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 1.14 -2.39 0.11 4.01 -1.26 -3.54 118.16 116.23 3ci2 n LYS 72 Ca 0.00 -0.51 -0.03 0.00 -0.51 0.00 0.00 58.31 57.26 3ci2 n LYS 72 Cb 0.00 -1.49 0.05 0.00 -0.51 0.00 0.00 35.03 33.08 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3ci2 n LEU 73 N -0.48 2.08 -1.60 -0.35 4.77 -1.26 -4.99 117.00 115.17 3ci2 n LEU 73 Ca 0.18 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 3ci2 n LEU 73 Cb 0.29 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3ci2 n LEU 73 CO 0.20 1.14 0.00 -0.90 -1.33 0.00 0.00 177.39 176.50 3ci2 n ASP 74 N -0.46 -0.47 -4.66 -1.43 5.68 -1.23 -4.86 116.55 109.11 3ci2 n ASP 74 Ca 0.13 0.23 -0.30 0.00 -0.50 0.00 0.00 54.79 54.36 3ci2 n ASP 74 Cb 0.88 -0.66 -0.08 0.00 -1.14 0.00 0.00 41.12 40.11 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3ci2 s ASN 75 N -1.33 4.88 -0.10 -1.12 0.01 -1.26 0.10 114.94 116.13 3ci2 s ASN 75 Ca 0.00 -0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 51.63 3ci2 s ASN 75 Cb 0.00 -1.11 -0.03 0.00 0.41 0.00 0.00 41.25 40.51 3ci2 s ASN 75 CO 0.00 0.18 1.36 -0.63 -1.51 0.00 0.00 177.10 176.49 3ci2 s ILE 76 N -1.29 4.04 -0.18 0.60 1.01 0.10 0.21 121.20 125.69 3ci2 s ILE 76 Ca 0.25 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 62.18 3ci2 s ILE 76 Cb -0.12 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.41 3ci2 s ILE 76 CO 0.17 -0.08 -0.18 0.00 0.00 0.00 0.00 174.94 174.85 3ci2 n ALA 77 N 6.30 1.64 -2.64 9.38 0.00 -1.11 -3.00 120.51 131.08 3ci2 n ALA 77 Ca 0.14 -0.77 -0.27 0.00 0.00 0.00 0.00 53.44 52.54 3ci2 n ALA 77 Cb 0.44 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 3ci2 n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ci2 s GLN 78 N -2.36 2.33 0.27 0.00 -0.21 -0.73 -5.05 119.66 113.91 3ci2 s GLN 78 Ca -0.25 -1.11 -0.30 0.00 0.02 0.00 0.00 55.36 53.72 3ci2 s GLN 78 Cb 0.07 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.66 3ci2 s GLN 78 CO 0.40 0.46 1.06 0.08 -2.12 0.00 0.00 175.29 175.16 3ci2 s VAL 79 N -1.66 3.65 0.48 1.09 1.01 -1.26 -4.66 120.40 119.05 3ci2 s VAL 79 Ca 0.26 1.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.72 3ci2 s VAL 79 Cb -0.09 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 3ci2 s VAL 79 CO 0.18 0.39 0.98 -2.84 0.00 0.00 0.00 175.10 173.81 3ci2 s PRO 80 N -1.35 3.99 0.13 2.72 0.02 -1.26 -4.82 135.00 134.44 3ci2 s PRO 80 Ca 0.44 1.09 -0.24 0.00 0.02 0.00 0.00 61.00 62.31 3ci2 s PRO 80 Cb -0.30 -2.14 0.07 0.00 0.02 0.00 0.00 34.50 32.15 3ci2 s PRO 80 CO 0.38 -0.24 0.64 -0.98 -0.33 0.00 0.00 177.00 176.47 3ci2 s ARG 81 N -3.61 1.22 0.32 5.54 1.70 -1.11 -0.69 118.95 122.33 3ci2 s ARG 81 Ca 0.62 -0.40 -0.26 0.00 -0.47 0.00 0.00 55.73 55.21 3ci2 s ARG 81 Cb -0.11 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.74 3ci2 s ARG 81 CO 0.23 -0.52 0.99 0.08 -1.08 0.00 0.00 175.30 174.99 3ci2 s VAL 82 N -3.51 3.99 0.00 4.99 1.01 0.17 -0.09 120.40 126.97 3ci2 s VAL 82 Ca 0.01 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3ci2 s VAL 82 Cb -0.01 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3ci2 s VAL 82 CO -0.11 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.78